| 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 | 43.2 | Very low | 61.9 | Low | 240 Ų | 240 | 134.9 Ų | 134.9 | 100% | 1.182 | 67% | 0.669 | S | S | * | * | 0 | 95.8 | 0 | -67.7 | 157.4 | 77.6 | 0 | 0 | 109.2 | |||||
| 2 | K | 54.1 | Low | 63.3 | Low | 202 Ų | 202 | 129.8 Ų | 129.8 | 88% | 0.878 | 65% | 0.65 | S | S | * | * | trans | -126.6 | 11.3 | -179.1 | -75.9 | 179.9 | 178.5 | 175.8 | 0 | 113.5 | ||||
| 3 | K | 53.9 | Low | 63.9 | Low | 195 Ų | 195 | 128.2 Ų | 128.2 | 85% | 0.848 | 64% | 0.639 | S | S | * | * | trans | -87.4 | -9.6 | -173.5 | -67.8 | -174 | 177.1 | -178 | 0 | 115.1 | ||||
| 4 | S | 56 | Low | 64.7 | Low | 83 Ų | 83 | 128.5 Ų | 128.5 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.5 | -18.3 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | I8 | S4-I8 VanDerWaalsContact O-CD1 3.32Å; S4-I8 WeakPolarHBondContact O-CD1 3.43Å; S4-I8 WeakPolarHBondContact O-CG1 3.38Å |
| 5 | K | 57.5 | Low | 65.3 | Low | 175 Ų | 175 | 127.3 Ų | 127.3 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.5 | -34.4 | -175.9 | -156.9 | 167.3 | -176.4 | 170.3 | 0 | 112.7 | D9 | K5-D9 PolarHBondContact O-N 3.12Å |
| 6 | S | 62.4 | Low | 65.6 | Low | 86 Ų | 86 | 124.4 Ų | 124.4 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.7 | -41 | 179 | 168.1 | 0 | 0 | 0 | 0 | 112.5 | I8 D9 V10 | S6-I8 VanDerWaalsContact C-N 3.35Å; S6-I8 PolarHBondContact O-N 2.69Å; S6-D9 PolarHBondContact O-N 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.34Å; S6-V10 PolarHBondContact O-N 2.66Å |
| 7 | W | 62.8 | Low | 65.5 | Low | 195 Ų | 195 | 126.5 Ų | 126.5 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.9 | -33.3 | -177 | -161.2 | 4.6 | 0 | 0 | 0 | 112.8 | D9 V10 C11 | W7-D9 VanDerWaalsContact C-N 3.33Å; W7-V10 PolarHBondContact O-N 3.38Å; W7-C11 WeakPolarHBondContact O-CB 3.31Å; W7-C11 PolarHBondContact O-N 3.33Å; W7-C11 PolarHBondContact O-SG 2.92Å |
| 8 | I | 73.8 | Confident | 65.6 | Low | 74 Ų | 74 | 125.4 Ų | 125.4 | 38% | 0.379 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.1 | -38.5 | 176.2 | -68.8 | 167.1 | 0 | 0 | 0 | 110.5 | S4 S6 C11 V12 | S4-I8 VanDerWaalsContact O-CD1 3.32Å; S4-I8 WeakPolarHBondContact O-CD1 3.43Å; S4-I8 WeakPolarHBondContact O-CG1 3.38Å; S6-I8 VanDerWaalsContact C-N 3.35Å; S6-I8 PolarHBondContact O-N 2.69Å; I8-C11 PolarHBondContact O-N 3.22Å; I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 WeakPolarHBondContact O-CB 3.4Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.08Å |
| 9 | D | 70.1 | Confident | 65.6 | Low | 92 Ų | 92 | 124.2 Ų | 124.2 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -43.5 | 177.3 | -159.5 | 35.3 | 0 | 0 | 0 | 111.3 | K5 S6 W7 C11 V12 H13 | K5-D9 PolarHBondContact O-N 3.12Å; S6-D9 PolarHBondContact O-N 3.29Å; W7-D9 VanDerWaalsContact C-N 3.33Å; D9-C11 PolarHBondContact O-N 2.73Å; D9-V12 PolarHBondContact O-N 3.39Å; D9-H13 WeakPolarHBondContact O-CB 3.29Å; D9-H13 PolarHBondContact O-N 2.8Å; D9-H13 PolarHBondContact O-ND1 3.23Å; D9-H13 IonicContact OD1-CE1 3.5Å; D9-H13 PolarHBondContact OD1-CE1 3.36Å; D9-H13 IonicContact OD1-ND1 2.65Å; D9-H13 PolarHBondContact OD1-ND1 3.3Å; D9-H13 IonicContact OD2-CE1 2.54Å |
| 10 | V | 75.4 | Confident | 65.2 | Low | 87 Ų | 87 | 124.1 Ų | 124.1 | 53% | 0.527 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.3 | -44.3 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | S6 W7 H13 F14 | S6-V10 WeakPolarHBondContact O-CG2 3.34Å; S6-V10 PolarHBondContact O-N 2.66Å; W7-V10 PolarHBondContact O-N 3.38Å; V10-H13 PolarHBondContact O-N 3.03Å; V10-F14 WeakPolarHBondContact O-CB 3.37Å; V10-F14 PolarHBondContact O-N 3.29Å |
| 11 | C | 71.9 | Confident | 64.6 | Low | 55 Ų | 55 | 120.2 Ų | 120.2 | 37% | 0.372 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.1 | -39.7 | 177.8 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | W7 I8 D9 F14 L15 | W7-C11 WeakPolarHBondContact O-CB 3.31Å; W7-C11 PolarHBondContact O-N 3.33Å; W7-C11 PolarHBondContact O-SG 2.92Å; I8-C11 PolarHBondContact O-N 3.22Å; D9-C11 PolarHBondContact O-N 2.73Å; C11-F14 PolarHBondContact O-N 3.11Å; C11-L15 VanDerWaalsContact O-CB 3.31Å; C11-L15 WeakPolarHBondContact O-CB 3.41Å; C11-L15 WeakPolarHBondContact O-CG 3.35Å; C11-L15 PolarHBondContact O-N 3.26Å |
| 12 | V | 77.9 | Confident | 64.9 | Low | 73 Ų | 73 | 113.6 Ų | 113.6 | 44% | 0.442 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.9 | -44.8 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | I8 D9 L15 L16 | I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 WeakPolarHBondContact O-CB 3.4Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.08Å; D9-V12 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.12Å; V12-L16 HydrophobicContact CG1-CD1 4.26Å; V12-L16 WeakPolarHBondContact O-CB 3.19Å; V12-L16 PolarHBondContact O-N 3.17Å |
| 13 | H | 71.8 | Confident | 64.5 | Low | 110 Ų | 110 | 111.8 Ų | 111.8 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 176.1 | -75.8 | 83.3 | 0 | 0 | 0 | 112.1 | D9 V10 L16 F17 | D9-H13 WeakPolarHBondContact O-CB 3.29Å; D9-H13 PolarHBondContact O-N 2.8Å; D9-H13 PolarHBondContact O-ND1 3.23Å; D9-H13 IonicContact OD1-CE1 3.5Å; D9-H13 PolarHBondContact OD1-CE1 3.36Å; D9-H13 IonicContact OD1-ND1 2.65Å; D9-H13 PolarHBondContact OD1-ND1 3.3Å; D9-H13 IonicContact OD2-CE1 2.54Å; V10-H13 PolarHBondContact O-N 3.03Å; H13-L16 PolarHBondContact O-N 2.94Å; H13-F17 WeakPolarHBondContact O-CB 3.36Å; H13-F17 PolarHBondContact O-N 2.71Å |
| 14 | F | 74.9 | Confident | 64 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -44.5 | 175.8 | -172.1 | -98.4 | 0 | 0 | 0 | 111.5 | V10 C11 L16 F17 M18 | V10-F14 WeakPolarHBondContact O-CB 3.37Å; V10-F14 PolarHBondContact O-N 3.29Å; C11-F14 PolarHBondContact O-N 3.11Å; F14-L16 PolarHBondContact O-N 3.04Å; F14-F17 CarbonylContact O-C 3.58Å; F14-F17 PolarHBondContact O-N 3.3Å; F14-M18 HydrophobicContact CD1-CG 4.12Å; F14-M18 HydrophobicContact CE1-CG 3.88Å; F14-M18 HydrophobicContact CE1-SD 4.36Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 HydrophobicContact CZ-SD 4.21Å; F14-M18 VanDerWaalsContact O-CG 3.28Å; F14-M18 WeakPolarHBondContact O-CG 3.29Å; F14-M18 PolarHBondContact O-N 3.01Å |
| 15 | L | 74.3 | Confident | 63.6 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -38.6 | 175.1 | -71.3 | 170.6 | 0 | 0 | 0 | 112 | C11 V12 F17 M18 T19 | C11-L15 VanDerWaalsContact O-CB 3.31Å; C11-L15 WeakPolarHBondContact O-CB 3.41Å; C11-L15 WeakPolarHBondContact O-CG 3.35Å; C11-L15 PolarHBondContact O-N 3.26Å; V12-L15 PolarHBondContact O-N 3.12Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-M18 PolarHBondContact O-N 3.29Å; L15-T19 WeakPolarHBondContact O-CG2 3.4Å; L15-T19 PolarHBondContact O-N 3.06Å; L15-T19 PolarHBondContact O-OG1 3.16Å; L15-T19 VanDerWaalsContact O-OG1 3.12Å |
| 16 | L | 70 | Confident | 62.9 | Low | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.424 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -39.5 | 171.5 | -109.7 | 154.9 | 0 | 0 | 0 | 111.8 | V12 H13 F14 M18 T19 L20 | V12-L16 HydrophobicContact CG1-CD1 4.26Å; V12-L16 WeakPolarHBondContact O-CB 3.19Å; V12-L16 PolarHBondContact O-N 3.17Å; H13-L16 PolarHBondContact O-N 2.94Å; F14-L16 PolarHBondContact O-N 3.04Å; L16-M18 VanDerWaalsContact C-N 3.35Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 2.9Å; L16-L20 HydrophobicContact CD2-CD1 3.27Å; L16-L20 HydrophobicContact CD2-CG 3.89Å; L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.44Å |
| 17 | F | 64 | Low | 62.1 | Low | 159 Ų | 159 | 105.3 Ų | 105.3 | 70% | 0.697 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.1 | -32.7 | 174.8 | -124.7 | -85.6 | 0 | 0 | 0 | 112 | H13 F14 L15 G21 | H13-F17 WeakPolarHBondContact O-CB 3.36Å; H13-F17 PolarHBondContact O-N 2.71Å; F14-F17 CarbonylContact O-C 3.58Å; F14-F17 PolarHBondContact O-N 3.3Å; L15-F17 VanDerWaalsContact C-N 3.33Å; F17-G21 WeakPolarHBondContact O-CA 3.13Å; F17-G21 PolarHBondContact O-N 2.84Å |
| 18 | M | 67.1 | Low | 61.3 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 53% | 0.532 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.8 | -30.5 | 174.9 | -65.8 | -58.5 | -70.4 | 0 | 0 | 112.4 | F14 L15 L16 V22 | F14-M18 HydrophobicContact CD1-CG 4.12Å; F14-M18 HydrophobicContact CE1-CG 3.88Å; F14-M18 HydrophobicContact CE1-SD 4.36Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 HydrophobicContact CZ-SD 4.21Å; F14-M18 VanDerWaalsContact O-CG 3.28Å; F14-M18 WeakPolarHBondContact O-CG 3.29Å; F14-M18 PolarHBondContact O-N 3.01Å; L15-M18 PolarHBondContact O-N 3.29Å; L16-M18 VanDerWaalsContact C-N 3.35Å; M18-V22 WeakPolarHBondContact O-CG2 3.43Å |
| 19 | T | 64.4 | Low | 60.6 | Low | 102 Ų | 102 | 103.2 Ų | 103.2 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -85.5 | -34.2 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | L15 L16 | L15-T19 WeakPolarHBondContact O-CG2 3.4Å; L15-T19 PolarHBondContact O-N 3.06Å; L15-T19 PolarHBondContact O-OG1 3.16Å; L15-T19 VanDerWaalsContact O-OG1 3.12Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 2.9Å |
| 20 | L | 59.1 | Low | 60.3 | Low | 121 Ų | 121 | 100 Ų | 100 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -92.7 | -31 | 176.6 | -62.9 | 177.2 | 0 | 0 | 0 | 113 | L16 V22 H23 | L16-L20 HydrophobicContact CD2-CD1 3.27Å; L16-L20 HydrophobicContact CD2-CG 3.89Å; L16-L20 WeakPolarHBondContact O-CB 3.35Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.44Å; L20-V22 VanDerWaalsContact C-N 3.27Å; L20-V22 PolarHBondContact O-N 3.03Å; L20-H23 PolarHBondContact O-N 3.07Å |
| 21 | G | 51.4 | Low | 60 | Low | 43 Ų | 43 | 100.6 Ų | 100.6 | 44% | 0.443 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -80.1 | -1.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F17 | F17-G21 WeakPolarHBondContact O-CA 3.13Å; F17-G21 PolarHBondContact O-N 2.84Å |
| 22 | V | 50.7 | Low | 60.2 | Low | 101 Ų | 101 | 100.5 Ų | 100.5 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -91 | 0.9 | 172.6 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | M18 L20 | M18-V22 WeakPolarHBondContact O-CG2 3.43Å; L20-V22 VanDerWaalsContact C-N 3.27Å; L20-V22 PolarHBondContact O-N 3.03Å |
| 23 | H | 45.5 | Very low | 60.6 | Low | 165 Ų | 165 | 99.3 Ų | 99.3 | 76% | 0.764 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -119.8 | 34.6 | 173.7 | -67.8 | 13.9 | 0 | 0 | 0 | 112.5 | L20 A25 | L20-H23 PolarHBondContact O-N 3.07Å; H23-A25 PolarHBondContact O-N 3.32Å; H23-A25 VanDerWaalsContact O-N 3.11Å |
| 24 | S | 43.5 | Very low | 61.5 | Low | 101 Ų | 101 | 94.2 Ų | 94.2 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | trans | -76.4 | 86 | 143.6 | -167.4 | 0 | 0 | 0 | 0 | 105.6 | A26 | S24-A26 PolarHBondContact O-N 3.21Š| ||
| 25 | A | 47.1 | Very low | 62.3 | Low | 78 Ų | 78 | 93.3 Ų | 93.3 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | trans | -54.7 | 98.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 103.8 | H23 T27 | H23-A25 PolarHBondContact O-N 3.32Å; H23-A25 VanDerWaalsContact O-N 3.11Å; A25-T27 PolarHBondContact O-N 3.33Å | ||
| 26 | A | 41.7 | Very low | 63.3 | Low | 90 Ų | 90 | 95.3 Ų | 95.3 | 74% | 0.744 | 54% | 0.543 | S | S | * | . | trans | -60.9 | 88.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | S24 G28 | S24-A26 PolarHBondContact O-N 3.21Å; A26-G28 PolarHBondContact O-N 2.91Å | ||
| 27 | T | 46.7 | Very low | 64.5 | Low | 133 Ų | 133 | 93.1 Ų | 93.1 | 82% | 0.816 | 53% | 0.529 | S | S | * | . | trans | -68.4 | 54.9 | 156.8 | 53.3 | 0 | 0 | 0 | 0 | 106.3 | A25 K29 | A25-T27 PolarHBondContact O-N 3.33Å; T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 3.15Å; T27-K29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | G | 46.1 | Very low | 66.1 | Low | 49 Ų | 49 | 85.5 Ų | 85.5 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | trans | -68.1 | 105.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | A26 V30 | A26-G28 PolarHBondContact O-N 2.91Å; G28-V30 PolarHBondContact O-N 3.25Å; G28-V30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | K | 58 | Low | 67.5 | Low | 177 Ų | 177 | 82.4 Ų | 82.4 | 77% | 0.77 | 48% | 0.483 | S | S | * | . | trans | -38.2 | 119.2 | 166.9 | 178.4 | -174.1 | 179 | -171.8 | 0 | 107.5 | T27 V31 | T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 3.15Å; T27-K29 VanDerWaalsContact O-N 3.1Å; K29-V31 PolarHBondContact O-N 2.84Å | ||
| 30 | V | 65.6 | Low | 69.1 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 15% | 0.152 | 47% | 0.468 | C | S | . | . | trans | -53.2 | 125.7 | 174.7 | 163.2 | 0 | 0 | 0 | 0 | 107.6 | G28 N32 Q99 F100 E103 | G28-V30 PolarHBondContact O-N 3.25Å; G28-V30 VanDerWaalsContact O-N 3.07Å; V30-N32 PolarHBondContact O-N 3.09Å; V30-N32 VanDerWaalsContact O-N 3.13Å; V30-Q99 HydrophobicContact CG2-CG 3.68Å; V30-F100 HydrophobicContact CG1-CB 3.84Å; V30-F100 HydrophobicContact CG1-CD2 4.01Å; V30-F100 HydrophobicContact CG1-CG 4.43Å; V30-E103 HydrophobicContact CB-CG 4.47Å; V30-E103 WeakPolarHBondContact CB-OE2 3.48Å; V30-E103 HydrophobicContact CG2-CG 3.87Å; V30-E103 WeakPolarHBondContact CG2-OE1 3.28Å; V30-E103 WeakPolarHBondContact CG2-OE2 3.42Å; V30-E103 PolarHBondContact N-OE2 3.1Å | ||
| 31 | V | 67.7 | Low | 70.9 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 59% | 0.594 | 44% | 0.437 | S | S | * | . | trans | -63.9 | 118.7 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 106.3 | K29 D33 | K29-V31 PolarHBondContact O-N 2.84Å; V31-D33 WeakPolarHBondContact CG1-OD1 3.35Å; V31-D33 PolarHBondContact O-N 3.08Å | ||
| 32 | N | 76.1 | Confident | 73.1 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | trans | -69.9 | 88.1 | 171.7 | -177.3 | -7 | 0 | 0 | 0 | 108.2 | V30 I34 F100 D144 | V30-N32 PolarHBondContact O-N 3.09Å; V30-N32 VanDerWaalsContact O-N 3.13Å; N32-I34 WeakPolarHBondContact OD1-CB 3.42Å; N32-I34 WeakPolarHBondContact OD1-CD1 3.32Å; N32-I34 WeakPolarHBondContact OD1-CG1 3.47Å; N32-I34 PolarHBondContact OD1-N 3.22Å; N32-F100 HydrophobicContact CB-CD2 4.49Å; N32-F100 HydrophobicContact CB-CE2 3.97Å; N32-D144 PolarHBondContact ND2-OD2 3.3Å | ||
| 33 | D | 87.2 | Confident | 75.3 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | trans | -98 | 16.8 | 178 | -87.7 | -7.7 | 0 | 0 | 0 | 112 | V31 D35 R36 R37 | V31-D33 WeakPolarHBondContact CG1-OD1 3.35Å; V31-D33 PolarHBondContact O-N 3.08Å; D33-D35 VanDerWaalsContact C-N 3.28Å; D33-D35 PolarHBondContact O-N 2.95Å; D33-R36 PolarHBondContact O-N 3.07Å; D33-R37 HydrophobicContact CB-CG 3.97Å; D33-R37 WeakPolarHBondContact O-CG 3.43Å; D33-R37 PolarHBondContact O-N 3.49Å; D33-R37 IonicContact OD2-CZ 3.44Å; D33-R37 IonicContact OD2-NE 2.69Å; D33-R37 PolarHBondContact OD2-NE 3.13Å; D33-R37 IonicContact OD2-NH2 3.54Å; D33-R37 PolarHBondContact OD2-NH2 3.47Å | ||
| 34 | I | 91.4 | Very high | 77.8 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -52.1 | -47.6 | -173.8 | -64.7 | 163 | 0 | 0 | 0 | 111.1 | N32 R36 R37 V38 L97 F100 E137 C140 | N32-I34 WeakPolarHBondContact OD1-CB 3.42Å; N32-I34 WeakPolarHBondContact OD1-CD1 3.32Å; N32-I34 WeakPolarHBondContact OD1-CG1 3.47Å; N32-I34 PolarHBondContact OD1-N 3.22Å; I34-R36 PolarHBondContact O-N 3.39Å; I34-R37 PolarHBondContact O-N 3.45Å; I34-V38 HydrophobicContact CG2-CG2 3.84Å; I34-V38 WeakPolarHBondContact O-CB 3.27Å; I34-V38 PolarHBondContact O-N 3.01Å; I34-L97 HydrophobicContact CG1-CD2 4.22Å; I34-F100 HydrophobicContact CD1-CD1 4.34Å; I34-F100 HydrophobicContact CD1-CE1 3.89Å; I34-F100 HydrophobicContact CD1-CE2 4.39Å; I34-F100 HydrophobicContact CD1-CZ 3.9Å; I34-E137 HydrophobicContact CG2-CB 4.28Å; I34-E137 HydrophobicContact CG2-CG 4.12Å; I34-C140 HydrophobicContact CD1-CB 3.29Å; I34-C140 HydrophobicContact CG1-CB 4.19Å |
| 35 | D | 91.8 | Very high | 80.4 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.1 | -20.5 | -179.4 | -63.1 | -16.4 | 0 | 0 | 0 | 113.4 | D33 P39 | D33-D35 VanDerWaalsContact C-N 3.28Å; D33-D35 PolarHBondContact O-N 2.95Å; D35-P39 WeakPolarHBondContact O-CD 3.19Å; D35-P39 VanDerWaalsContact O-CG 3.26Å; D35-P39 WeakPolarHBondContact O-CG 3.39Å |
| 36 | R | 94.3 | Very high | 82.8 | Confident | 154 Ų | 154 | 71.5 Ų | 71.5 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -98.2 | -46.9 | 175 | -177.5 | 179.3 | 173.5 | 168.7 | 1 | 112.1 | D33 I34 | D33-R36 PolarHBondContact O-N 3.07Å; I34-R36 PolarHBondContact O-N 3.39Å |
| 37 | R | 95.4 | Very high | 85.5 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.6 | -40.4 | -172.2 | -53.2 | -53.4 | 165 | 172.1 | -0.8 | 112.3 | D33 I34 D40 L41 N93 I96 L97 | D33-R37 HydrophobicContact CB-CG 3.97Å; D33-R37 WeakPolarHBondContact O-CG 3.43Å; D33-R37 PolarHBondContact O-N 3.49Å; D33-R37 IonicContact OD2-CZ 3.44Å; D33-R37 IonicContact OD2-NE 2.69Å; D33-R37 PolarHBondContact OD2-NE 3.13Å; D33-R37 IonicContact OD2-NH2 3.54Å; D33-R37 PolarHBondContact OD2-NH2 3.47Å; I34-R37 PolarHBondContact O-N 3.45Å; R37-D40 PolarHBondContact O-N 3.01Å; R37-L41 WeakPolarHBondContact O-CG 3.41Å; R37-L41 PolarHBondContact O-N 3.48Å; R37-L41 VanDerWaalsContact O-N 3.09Å; R37-N93 HydrophobicContact CB-CB 4.38Å; R37-N93 WeakPolarHBondContact CD-OD1 3.42Å; R37-N93 PolarHBondContact NH1-OD1 3.05Å; R37-I96 HydrophobicContact CG-CG2 4.24Å; R37-L97 HydrophobicContact CB-CD2 4.18Å; R37-L97 HydrophobicContact CB-CG 4.31Å |
| 38 | V | 97 | Very high | 87.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.5 | -48.6 | -177.6 | 162.9 | 0 | 0 | 0 | 0 | 111.9 | I34 D40 L41 R42 L97 F133 V136 E137 | I34-V38 HydrophobicContact CG2-CG2 3.84Å; I34-V38 WeakPolarHBondContact O-CB 3.27Å; I34-V38 PolarHBondContact O-N 3.01Å; V38-D40 VanDerWaalsContact C-N 3.34Å; V38-D40 PolarHBondContact O-N 2.94Å; V38-L41 PolarHBondContact O-N 3.11Å; V38-R42 HydrophobicContact CG1-CG 4.48Å; V38-R42 WeakPolarHBondContact O-CG 3.39Å; V38-R42 PolarHBondContact O-N 3.48Å; V38-L97 HydrophobicContact CG2-CD1 4.28Å; V38-L97 HydrophobicContact CG2-CD2 4.41Å; V38-F133 HydrophobicContact CG1-CB 4.03Å; V38-V136 HydrophobicContact CG2-CG1 4.18Å; V38-E137 HydrophobicContact CG1-CB 4.24Å; V38-E137 HydrophobicContact CG2-CB 4.43Å |
| 39 | P | 97.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 76.4 Ų | 76.4 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.8 | -29.2 | 38.4 | 0 | 0 | 0 | 113.7 | D35 L41 R42 Q43 | D35-P39 WeakPolarHBondContact O-CD 3.19Å; D35-P39 VanDerWaalsContact O-CG 3.26Å; D35-P39 WeakPolarHBondContact O-CG 3.39Å; P39-L41 PolarHBondContact O-N 3.34Å; P39-R42 PolarHBondContact O-N 3.09Å; P39-Q43 WeakPolarHBondContact O-CG 3.48Å; P39-Q43 PolarHBondContact O-N 3.33Å; P39-Q43 VanDerWaalsContact O-N 3.12Å |
| 40 | D | 97.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.1 | -74.3 | -8.8 | 0 | 0 | 0 | 111.1 | R37 V38 R42 Q43 N44 N93 | R37-D40 PolarHBondContact O-N 3.01Å; V38-D40 VanDerWaalsContact C-N 3.34Å; V38-D40 PolarHBondContact O-N 2.94Å; D40-R42 PolarHBondContact O-N 3.44Å; D40-Q43 PolarHBondContact O-N 2.92Å; D40-N44 WeakPolarHBondContact O-CB 3.26Å; D40-N44 PolarHBondContact O-N 2.8Å; D40-N44 PolarHBondContact O-ND2 3.48Å; D40-N93 WeakPolarHBondContact CB-ND2 3.43Å |
| 41 | L | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.4 | -70.8 | 169 | 0 | 0 | 0 | 112.2 | R37 V38 P39 Q43 N44 I45 N90 N93 I94 L97 F133 | R37-L41 WeakPolarHBondContact O-CG 3.41Å; R37-L41 PolarHBondContact O-N 3.48Å; R37-L41 VanDerWaalsContact O-N 3.09Å; V38-L41 PolarHBondContact O-N 3.11Å; P39-L41 PolarHBondContact O-N 3.34Å; L41-Q43 VanDerWaalsContact C-N 3.27Å; L41-Q43 PolarHBondContact O-N 3.29Å; L41-N44 PolarHBondContact O-N 3.41Å; L41-I45 HydrophobicContact CB-CD1 4.39Å; L41-I45 HydrophobicContact CD2-CD1 4.25Å; L41-I45 WeakPolarHBondContact O-CB 3.46Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3Å; L41-N90 HydrophobicContact CD2-CB 4.07Å; L41-N93 HydrophobicContact CD1-CB 4.11Å; L41-N93 HydrophobicContact CD2-CB 3.91Å; L41-N93 HydrophobicContact CG-CB 3.96Å; L41-I94 HydrophobicContact CD1-CG1 3.9Å; L41-I94 HydrophobicContact CD2-CD1 4.16Å; L41-I94 HydrophobicContact CD2-CG1 3.75Å; L41-L97 HydrophobicContact CD1-CD1 3.56Å; L41-F133 HydrophobicContact CB-CD1 4.32Å; L41-F133 HydrophobicContact CB-CD2 4.49Å; L41-F133 HydrophobicContact CB-CE1 3.86Å; L41-F133 HydrophobicContact CB-CE2 4.07Å; L41-F133 HydrophobicContact CB-CZ 3.72Å; L41-F133 HydrophobicContact CD1-CD1 4.38Å; L41-F133 HydrophobicContact CD1-CE1 3.59Å; L41-F133 HydrophobicContact CD1-CZ 3.99Å; L41-F133 HydrophobicContact CG-CE1 4.32Å; L41-F133 HydrophobicContact CG-CZ 4.34Å |
| 42 | R | 97.1 | Very high | 95.4 | Very high | 102 Ų | 102 | 70 Ų | 70 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -32.3 | 176.5 | -75.9 | 174.9 | 59.4 | -162.6 | -2.1 | 113.3 | V38 P39 D40 F133 N134 | V38-R42 HydrophobicContact CG1-CG 4.48Å; V38-R42 WeakPolarHBondContact O-CG 3.39Å; V38-R42 PolarHBondContact O-N 3.48Å; P39-R42 PolarHBondContact O-N 3.09Å; D40-R42 PolarHBondContact O-N 3.44Å; R42-F133 HydrophobicContact CG-CB 3.41Å; R42-F133 VanDerWaalsContact CG-CB 3.41Å; R42-F133 HydrophobicContact CG-CD2 3.98Å; R42-F133 HydrophobicContact CG-CG 3.92Å; R42-N134 PolarHBondContact NH1-OD1 3.07Å |
| 43 | Q | 96.7 | Very high | 96.4 | Very high | 153 Ų | 153 | 67.7 Ų | 67.7 | 72% | 0.715 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -79.7 | -34.4 | 178.3 | -69.5 | 175.6 | 31.3 | 0 | 0 | 111.9 | P39 D40 L41 | P39-Q43 WeakPolarHBondContact O-CG 3.48Å; P39-Q43 PolarHBondContact O-N 3.33Å; P39-Q43 VanDerWaalsContact O-N 3.12Å; D40-Q43 PolarHBondContact O-N 2.92Å; L41-Q43 VanDerWaalsContact C-N 3.27Å; L41-Q43 PolarHBondContact O-N 3.29Å |
| 44 | N | 97.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -90.6 | -13.6 | -173.2 | -65.4 | -19 | 0 | 0 | 0 | 114.4 | D40 L41 N90 | D40-N44 WeakPolarHBondContact O-CB 3.26Å; D40-N44 PolarHBondContact O-N 2.8Å; D40-N44 PolarHBondContact O-ND2 3.48Å; L41-N44 PolarHBondContact O-N 3.41Å; N44-N90 WeakPolarHBondContact CB-OD1 3.43Å; N44-N90 PolarHBondContact ND2-OD1 2.83Å; N44-N90 VanDerWaalsContact ND2-OD1 3.11Å |
| 45 | I | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -104.2 | 133.3 | 179.1 | -60.6 | 176 | 0 | 0 | 0 | 108.9 | L41 K47 Y49 L80 F84 T129 F133 | L41-I45 HydrophobicContact CB-CD1 4.39Å; L41-I45 HydrophobicContact CD2-CD1 4.25Å; L41-I45 WeakPolarHBondContact O-CB 3.46Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3Å; I45-K47 PolarHBondContact O-N 3.47Å; I45-Y49 HydrophobicContact CG2-CD1 4.15Å; I45-Y49 HydrophobicContact CG2-CG 4.43Å; I45-L80 HydrophobicContact CD1-CD2 4.38Å; I45-F84 HydrophobicContact CD1-CE2 4.17Å; I45-F84 HydrophobicContact CD1-CZ 3.78Å; I45-F84 HydrophobicContact CG1-CE1 4.48Å; I45-F84 HydrophobicContact CG1-CZ 3.8Å; I45-T129 HydrophobicContact CB-CG2 3.73Å; I45-T129 HydrophobicContact CG2-CG2 3.82Å; I45-T129 WeakPolarHBondContact CG2-OG1 3.45Å; I45-F133 HydrophobicContact CD1-CE2 3.66Å; I45-F133 HydrophobicContact CD1-CZ 3.82Å |
| 46 | P | 98.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | trans | -51.7 | 135.4 | 179.3 | -26.7 | 34.3 | 0 | 0 | 0 | 112.2 | D48 Y49 T129 | P46-D48 PolarHBondContact O-N 2.93Å; P46-Y49 WeakPolarHBondContact O-CB 3.26Å; P46-Y49 PolarHBondContact O-N 3.4Å; P46-Y49 VanDerWaalsContact O-N 3.12Å; P46-T129 WeakPolarHBondContact O-CB 3.44Å; P46-T129 PolarHBondContact O-OG1 3.42Å | ||
| 47 | K | 98 | Very high | 97.4 | Very high | 177 Ų | 177 | 56.8 Ų | 56.8 | 77% | 0.77 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -33.7 | -173 | -66.3 | -178.2 | -179.9 | 178.6 | 0 | 113.1 | I45 | I45-K47 PolarHBondContact O-N 3.47Š|
| 48 | D | 97.5 | Very high | 97.3 | Very high | 117 Ų | 117 | 58.9 Ų | 58.9 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4.3 | -178 | 62.7 | -33.6 | 0 | 0 | 0 | 113.8 | P46 K50 | P46-D48 PolarHBondContact O-N 2.93Å; D48-K50 PolarHBondContact O-N 3.21Å |
| 49 | Y | 98.4 | Very high | 97 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | trans | -60.7 | 132.5 | 175.2 | -174.7 | -105.6 | 0 | 0 | 0 | 110.5 | I45 P46 I51 L80 E128 T129 | I45-Y49 HydrophobicContact CG2-CD1 4.15Å; I45-Y49 HydrophobicContact CG2-CG 4.43Å; P46-Y49 WeakPolarHBondContact O-CB 3.26Å; P46-Y49 PolarHBondContact O-N 3.4Å; P46-Y49 VanDerWaalsContact O-N 3.12Å; Y49-I51 HydrophobicContact CD1-CD1 4.31Å; Y49-I51 HydrophobicContact CD1-CG1 3.51Å; Y49-I51 HydrophobicContact CE1-CG1 3.69Å; Y49-L80 HydrophobicContact CE1-CD1 3.78Å; Y49-E128 WeakPolarHBondContact O-CA 3.47Å; Y49-T129 PolarHBondContact O-N 3.22Å | ||
| 50 | K | 98.4 | Very high | 96.7 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 101.9 | -174.2 | -59.1 | -60.6 | -175.8 | 174.3 | 0 | 110.1 | D48 K126 W127 E128 | D48-K50 PolarHBondContact O-N 3.21Å; K50-K126 HydrophobicContact CB-CB 4.09Å; K50-W127 CarbonylContact C-O 3.55Å; K50-W127 WeakPolarHBondContact CA-O 3.45Å; K50-E128 HydrophobicContact CD-CG 3.97Å; K50-E128 IonicContact NZ-OE1 3.72Å; K50-E128 PolarHBondContact NZ-OE1 2.92Å |
| 51 | I | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120 | -178.6 | -54.2 | 170.2 | 0 | 0 | 0 | 108.9 | Y49 L80 K126 W127 Y132 F133 | Y49-I51 HydrophobicContact CD1-CD1 4.31Å; Y49-I51 HydrophobicContact CD1-CG1 3.51Å; Y49-I51 HydrophobicContact CE1-CG1 3.69Å; I51-L80 HydrophobicContact CD1-CD1 4.43Å; I51-L80 HydrophobicContact CD1-CD2 4.02Å; I51-L80 HydrophobicContact CG1-CD1 4.31Å; I51-L80 HydrophobicContact CG2-CD2 4.46Å; I51-K126 CarbonylContact O-C 3.48Å; I51-K126 WeakPolarHBondContact O-CA 3.37Å; I51-W127 PolarHBondContact N-O 2.84Å; I51-W127 PolarHBondContact O-N 2.01Å; I51-Y132 HydrophobicContact CB-CD2 3.87Å; I51-Y132 HydrophobicContact CB-CE2 4.23Å; I51-Y132 HydrophobicContact CB-CG 4.01Å; I51-Y132 HydrophobicContact CD1-CD1 3.5Å; I51-Y132 VanDerWaalsContact CD1-CD1 3.5Å; I51-Y132 HydrophobicContact CD1-CD2 4.37Å; I51-Y132 HydrophobicContact CD1-CE1 4.09Å; I51-Y132 HydrophobicContact CD1-CG 3.65Å; I51-Y132 HydrophobicContact CG1-CG 4.4Å; I51-Y132 HydrophobicContact CG2-CD1 4.26Å; I51-Y132 HydrophobicContact CG2-CD2 3.64Å; I51-Y132 HydrophobicContact CG2-CE1 4.11Å; I51-Y132 HydrophobicContact CG2-CE2 3.46Å; I51-Y132 VanDerWaalsContact CG2-CE2 3.46Å; I51-Y132 HydrophobicContact CG2-CG 4.03Å; I51-F133 HydrophobicContact CD1-CE2 4Å |
| 52 | P | 98.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 70.2 Ų | 70.2 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138 | 174.5 | -18.6 | 32.1 | 0 | 0 | 0 | 111.5 | S76 | P52-S76 PolarHBondContact O-OG 2.94Å |
| 53 | I | 98.3 | Very high | 95 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 136.6 | 177.1 | -175.4 | 62.4 | 0 | 0 | 0 | 109.9 | F55 L73 D125 W127 Y132 | I53-F55 HydrophobicContact CG1-CB 4.13Å; I53-F55 HydrophobicContact CG2-CD1 4.26Å; I53-L73 HydrophobicContact CD1-CD1 4.14Å; I53-D125 HydrophobicContact CG2-CB 4.5Å; I53-D125 PolarHBondContact N-O 3.23Å; I53-D125 PolarHBondContact O-N 2.96Å; I53-W127 HydrophobicContact CG1-CZ3 4.48Å; I53-W127 HydrophobicContact CG2-CD2 3.67Å; I53-W127 HydrophobicContact CG2-CE3 3.75Å; I53-W127 HydrophobicContact CG2-CG 4.07Å; I53-W127 HydrophobicContact CG2-CH2 4.45Å; I53-W127 HydrophobicContact CG2-CZ2 4.38Å; I53-W127 HydrophobicContact CG2-CZ3 4.12Å; I53-Y132 HydrophobicContact CB-CD2 4.41Å; I53-Y132 HydrophobicContact CB-CE2 4.24Å; I53-Y132 HydrophobicContact CD1-CE2 4.18Å; I53-Y132 HydrophobicContact CG1-CE2 4.43Å |
| 54 | K | 98.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.7 | 162 | -174.9 | 169.5 | 176.1 | -172.1 | 0 | 107.7 | Y72 Y122 R123 D124 | K54-Y72 HydrophobicContact CB-CD1 4Å; K54-Y72 HydrophobicContact CB-CD2 4.35Å; K54-Y72 HydrophobicContact CB-CG 3.9Å; K54-Y72 HydrophobicContact CD-CD1 3.96Å; K54-Y72 HydrophobicContact CD-CD2 4.18Å; K54-Y72 HydrophobicContact CD-CE1 3.66Å; K54-Y72 HydrophobicContact CD-CE2 3.84Å; K54-Y72 HydrophobicContact CD-CG 4.23Å; K54-Y72 HydrophobicContact CG-CD1 4.21Å; K54-Y72 HydrophobicContact CG-CD2 3.99Å; K54-Y72 HydrophobicContact CG-CE1 4.37Å; K54-Y72 HydrophobicContact CG-CE2 4.11Å; K54-Y72 HydrophobicContact CG-CG 4.04Å; K54-Y72 PolarHBondContact NZ-OH 3.45Å; K54-Y72 WeakPolarHBondContact O-CB 3.2Å; K54-Y122 HydrophobicContact CG-CD1 4.31Å; K54-Y122 HydrophobicContact CG-CG 4.48Å; K54-R123 CarbonylContact C-O 3.58Å; K54-R123 VanDerWaalsContact CA-O 3.27Å; K54-R123 WeakPolarHBondContact CA-O 3Å; K54-D124 WeakPolarHBondContact CB-OD1 2.91Å |
| 55 | F | 97.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155 | -173.8 | 74.7 | -74.5 | 0 | 0 | 0 | 111.9 | I53 P57 N69 Y122 R123 D125 W127 F135 | I53-F55 HydrophobicContact CG1-CB 4.13Å; I53-F55 HydrophobicContact CG2-CD1 4.26Å; F55-P57 HydrophobicContact CE2-CB 4.42Å; F55-P57 HydrophobicContact CE2-CG 3.94Å; F55-N69 WeakPolarHBondContact CA-OD1 3.37Å; F55-N69 VanDerWaalsContact CB-OD1 3.29Å; F55-N69 WeakPolarHBondContact CB-OD1 3.29Å; F55-Y122 CarbonylContact O-C 3.55Å; F55-Y122 WeakPolarHBondContact O-CA 3.26Å; F55-R123 HydrophobicContact CD1-CB 4.4Å; F55-R123 WeakPolarHBondContact CD1-O 3.42Å; F55-R123 HydrophobicContact CE1-CB 3.88Å; F55-R123 HydrophobicContact CZ-CB 4.17Å; F55-R123 PolarHBondContact N-O 3.04Å; F55-R123 PolarHBondContact O-N 3.26Å; F55-D125 HydrophobicContact CE1-CB 4Å; F55-W127 HydrophobicContact CB-CH2 4.43Å; F55-W127 AromaticContact CD1-CH2 3.85Å; F55-W127 HydrophobicContact CD1-CH2 3.85Å; F55-W127 AromaticContact CD1-CZ2 3.63Å; F55-W127 HydrophobicContact CD1-CZ2 3.63Å; F55-W127 AromaticContact CD2-CH2 3.75Å; F55-W127 HydrophobicContact CD2-CH2 3.75Å; F55-W127 AromaticContact CD2-CZ2 3.96Å; F55-W127 HydrophobicContact CD2-CZ2 3.96Å; F55-W127 HydrophobicContact CE1-CH2 4.04Å; F55-W127 AromaticContact CE1-CZ2 3.37Å; F55-W127 HydrophobicContact CE1-CZ2 3.37Å; F55-W127 AromaticContact CE2-CH2 3.93Å; F55-W127 HydrophobicContact CE2-CH2 3.93Å; F55-W127 AromaticContact CE2-CZ2 3.71Å; F55-W127 HydrophobicContact CE2-CZ2 3.71Å; F55-W127 AromaticContact CG-CH2 3.72Å; F55-W127 HydrophobicContact CG-CH2 3.72Å; F55-W127 AromaticContact CG-CZ2 3.94Å; F55-W127 HydrophobicContact CG-CZ2 3.94Å; F55-W127 HydrophobicContact CZ-CH2 4.09Å; F55-W127 AromaticContact CZ-CZ2 3.43Å; F55-W127 HydrophobicContact CZ-CZ2 3.43Å; F55-W127 VanDerWaalsContact CZ-CZ2 3.43Å; F55-F135 HydrophobicContact CB-CE1 4.29Å; F55-F135 HydrophobicContact CB-CZ 3.89Å |
| 56 | I | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -99.8 | 127.8 | 167 | -173.8 | 168 | 0 | 0 | 0 | 109.6 | M60 L68 N69 F118 H121 Y122 | I56-M60 HydrophobicContact CD1-CB 4Å; I56-M60 HydrophobicContact CG1-CB 3.8Å; I56-L68 HydrophobicContact CD1-CD1 4.12Å; I56-L68 HydrophobicContact CG2-CB 3.71Å; I56-L68 HydrophobicContact CG2-CD1 4.41Å; I56-N69 VanDerWaalsContact CG2-ND2 3.27Å; I56-N69 WeakPolarHBondContact CG2-ND2 3.5Å; I56-N69 PolarHBondContact N-OD1 3.43Å; I56-N69 PolarHBondContact O-ND2 3.34Å; I56-F118 HydrophobicContact CD1-CB 4.12Å; I56-F118 HydrophobicContact CD1-CD1 3.4Å; I56-F118 HydrophobicContact CD1-CE1 4.18Å; I56-F118 HydrophobicContact CD1-CG 4.15Å; I56-H121 HydrophobicContact CD1-CB 3.77Å; I56-H121 HydrophobicContact CG1-CB 4.14Å; I56-Y122 HydrophobicContact CB-CD1 3.96Å; I56-Y122 HydrophobicContact CB-CE1 3.87Å; I56-Y122 HydrophobicContact CB-CG 4.5Å; I56-Y122 HydrophobicContact CG2-CE1 3.98Å | ||
| 57 | P | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | trans | -63.1 | 152.6 | 174.2 | -19.5 | 30.8 | 0 | 0 | 0 | 112.3 | F55 E59 M60 G61 | F55-P57 HydrophobicContact CE2-CB 4.42Å; F55-P57 HydrophobicContact CE2-CG 3.94Å; P57-E59 WeakPolarHBondContact CB-OE2 3.43Å; P57-E59 PolarHBondContact O-N 3.19Å; P57-M60 HydrophobicContact CB-CG 4.39Å; P57-M60 HydrophobicContact CG-CG 4.34Å; P57-M60 PolarHBondContact O-N 2.97Å; P57-G61 PolarHBondContact O-N 2.9Å | ||
| 58 | K | 92.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -39 | 179.9 | -62 | -173.3 | -174.9 | 161 | 0 | 112.4 | M60 G61 D62 W65 E138 | K58-M60 PolarHBondContact O-N 3Å; K58-G61 PolarHBondContact O-N 3.48Å; K58-D62 PolarHBondContact O-N 3.46Å; K58-W65 HydrophobicContact CB-CD2 4.43Å; K58-W65 HydrophobicContact CB-CG 4.25Å; K58-W65 HydrophobicContact CD-CD2 4.28Å; K58-W65 HydrophobicContact CD-CZ2 4.26Å; K58-W65 HydrophobicContact CG-CD2 3.6Å; K58-W65 HydrophobicContact CG-CE3 3.82Å; K58-W65 HydrophobicContact CG-CG 3.93Å; K58-W65 HydrophobicContact CG-CZ2 4.42Å; K58-W65 HydrophobicContact CG-CZ3 4.32Å; K58-E138 WeakPolarHBondContact CE-OE1 3.28Å; K58-E138 VanDerWaalsContact CE-OE2 3.27Å; K58-E138 WeakPolarHBondContact CE-OE2 3.48Å; K58-E138 IonicContact NZ-OE1 2.87Å; K58-E138 PolarHBondContact NZ-OE1 3Å; K58-E138 IonicContact NZ-OE2 2.77Å; K58-E138 PolarHBondContact NZ-OE2 2.87Å |
| 59 | E | 90.5 | Very high | 93.6 | Very high | 157 Ų | 157 | 43.1 Ų | 43.1 | 73% | 0.734 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.4 | -22.2 | -178.4 | -52.3 | 75.7 | -162.2 | 0 | 0 | 112 | P57 | P57-E59 WeakPolarHBondContact CB-OE2 3.43Å; P57-E59 PolarHBondContact O-N 3.19Å |
| 60 | M | 90.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -97.1 | -30 | 178.4 | -61.2 | -61.2 | -173.4 | 0 | 0 | 112.9 | I56 P57 K58 H121 P155 | I56-M60 HydrophobicContact CD1-CB 4Å; I56-M60 HydrophobicContact CG1-CB 3.8Å; P57-M60 HydrophobicContact CB-CG 4.39Å; P57-M60 HydrophobicContact CG-CG 4.34Å; P57-M60 PolarHBondContact O-N 2.97Å; K58-M60 PolarHBondContact O-N 3Å; M60-H121 HydrophobicContact CB-CB 4.14Å; M60-P155 WeakPolarHBondContact O-CD 3Å; M60-P155 WeakPolarHBondContact O-CG 3.43Å; M60-P155 HydrophobicContact SD-CG 4.27Å |
| 61 | G | 85.4 | Confident | 93.3 | Very high | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -92.5 | -7.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P57 K58 M63 C64 W65 | P57-G61 PolarHBondContact O-N 2.9Å; K58-G61 PolarHBondContact O-N 3.48Å; G61-M63 PolarHBondContact O-N 2.88Å; G61-C64 CarbonylContact O-C 3.56Å; G61-C64 WeakPolarHBondContact O-CA 3.38Å; G61-C64 WeakPolarHBondContact O-CB 3.26Å; G61-C64 PolarHBondContact O-N 3.31Å; G61-W65 PolarHBondContact O-N 3.23Å; G61-W65 VanDerWaalsContact O-N 3.13Å |
| 62 | D | 85.6 | Confident | 93.3 | Very high | 123 Ų | 123 | 40.2 Ų | 40.2 | 66% | 0.658 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | 42.4 | -125.7 | -173.6 | -167.5 | 22.6 | 0 | 0 | 0 | 112.1 | K58 C64 | K58-D62 PolarHBondContact O-N 3.46Å; D62-C64 PolarHBondContact O-N 2.68Å |
| 63 | M | 85.7 | Confident | 93.2 | Very high | 116 Ų | 116 | 37 Ų | 37 | 57% | 0.571 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -69.4 | -13.7 | 178 | -67.5 | -63 | -58.8 | 0 | 0 | 114.1 | G61 E146 | G61-M63 PolarHBondContact O-N 2.88Å; M63-E146 VanDerWaalsContact O-OE1 3.05Å |
| 64 | C | 88.8 | Confident | 93.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -100.5 | -0.9 | -176.5 | -66.4 | 0 | 0 | 0 | 0 | 114.1 | G61 D62 A66 K67 L68 C152 | G61-C64 CarbonylContact O-C 3.56Å; G61-C64 WeakPolarHBondContact O-CA 3.38Å; G61-C64 WeakPolarHBondContact O-CB 3.26Å; G61-C64 PolarHBondContact O-N 3.31Å; D62-C64 PolarHBondContact O-N 2.68Å; C64-A66 PolarHBondContact O-N 2.99Å; C64-K67 WeakPolarHBondContact O-CB 3.34Å; C64-K67 PolarHBondContact O-N 3.02Å; C64-L68 HydrophobicContact CB-CD1 4.03Å; C64-L68 HydrophobicContact CB-CG 4.29Å; C64-L68 WeakPolarHBondContact O-CB 3.46Å; C64-L68 VanDerWaalsContact O-CG 3.31Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 2.88Å; C64-C152 HydrophobicContact CB-CB 3.63Å; C64-C152 WeakPolarHBondContact CB-SG 3.17Å; C64-C152 WeakPolarHBondContact SG-CB 3.39Å; C64-C152 CovalentContact SG-SG 2.01Å; C64-C152 PolarHBondContact SG-SG 3.28Å |
| 65 | W | 93 | Very high | 93.2 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 8% | 0.076 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.4 | -39.7 | -172.9 | 77.5 | -80.1 | 0 | 0 | 0 | 112.4 | K58 G61 N69 F135 E138 V139 T142 | K58-W65 HydrophobicContact CB-CD2 4.43Å; K58-W65 HydrophobicContact CB-CG 4.25Å; K58-W65 HydrophobicContact CD-CD2 4.28Å; K58-W65 HydrophobicContact CD-CZ2 4.26Å; K58-W65 HydrophobicContact CG-CD2 3.6Å; K58-W65 HydrophobicContact CG-CE3 3.82Å; K58-W65 HydrophobicContact CG-CG 3.93Å; K58-W65 HydrophobicContact CG-CZ2 4.42Å; K58-W65 HydrophobicContact CG-CZ3 4.32Å; G61-W65 PolarHBondContact O-N 3.23Å; G61-W65 VanDerWaalsContact O-N 3.13Å; W65-N69 WeakPolarHBondContact O-CB 3.42Å; W65-N69 PolarHBondContact O-N 3.48Å; W65-N69 VanDerWaalsContact O-N 3.13Å; W65-N69 PolarHBondContact O-ND2 2.85Å; W65-F135 HydrophobicContact CE3-CE2 4.32Å; W65-F135 HydrophobicContact CZ3-CD2 4.23Å; W65-F135 AromaticContact CZ3-CE2 3.68Å; W65-F135 HydrophobicContact CZ3-CE2 3.68Å; W65-F135 HydrophobicContact CZ3-CZ 4.41Å; W65-E138 HydrophobicContact CH2-CB 4.16Å; W65-E138 HydrophobicContact CH2-CG 3.71Å; W65-E138 HydrophobicContact CZ2-CG 3.99Å; W65-V139 HydrophobicContact CE3-CG2 4.33Å; W65-V139 HydrophobicContact CH2-CG2 3.87Å; W65-V139 HydrophobicContact CZ3-CG2 3.42Å; W65-V139 VanDerWaalsContact CZ3-CG2 3.42Å; W65-T142 HydrophobicContact CZ2-CG2 4.35Å |
| 66 | A | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -51.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | C64 L68 N69 L70 T142 A143 | C64-A66 PolarHBondContact O-N 2.99Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.4Å; A66-N69 PolarHBondContact O-N 3.02Å; A66-N69 VanDerWaalsContact O-N 3.08Å; A66-L70 PolarHBondContact O-N 2.96Å; A66-T142 HydrophobicContact CB-CG2 3.8Å; A66-A143 HydrophobicContact CB-CB 4.45Å |
| 67 | K | 92.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -50.2 | -51.5 | 173.3 | -171.3 | -179.6 | 173.7 | 176.3 | 0 | 112.2 | C64 N69 L70 I108 M111 Q114 P148 | C64-K67 WeakPolarHBondContact O-CB 3.34Å; C64-K67 PolarHBondContact O-N 3.02Å; K67-N69 PolarHBondContact O-N 2.93Å; K67-L70 WeakPolarHBondContact O-CB 3.4Å; K67-L70 PolarHBondContact O-N 3.19Å; K67-I108 HydrophobicContact CD-CD1 4.31Å; K67-I108 HydrophobicContact CD-CG1 4.45Å; K67-I108 HydrophobicContact CD-CG2 4.34Å; K67-I108 HydrophobicContact CG-CD1 3.54Å; K67-I108 HydrophobicContact CG-CG1 4.19Å; K67-I108 HydrophobicContact CG-CG2 4.4Å; K67-M111 VanDerWaalsContact O-CE 3.24Å; K67-M111 WeakPolarHBondContact O-CE 3.34Å; K67-Q114 VanDerWaalsContact CE-OE1 3.26Å; K67-P148 PolarHBondContact NZ-O 3.1Å |
| 68 | L | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -24.9 | -179.3 | -70.7 | 170.1 | 0 | 0 | 0 | 113.5 | I56 C64 A66 Q114 F118 Y122 | I56-L68 HydrophobicContact CD1-CD1 4.12Å; I56-L68 HydrophobicContact CG2-CB 3.71Å; I56-L68 HydrophobicContact CG2-CD1 4.41Å; C64-L68 HydrophobicContact CB-CD1 4.03Å; C64-L68 HydrophobicContact CB-CG 4.29Å; C64-L68 WeakPolarHBondContact O-CB 3.46Å; C64-L68 VanDerWaalsContact O-CG 3.31Å; C64-L68 WeakPolarHBondContact O-CG 3.44Å; C64-L68 PolarHBondContact O-N 2.88Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 3.4Å; L68-Q114 HydrophobicContact CD2-CB 3.95Å; L68-F118 HydrophobicContact CD1-CB 4.47Å; L68-F118 HydrophobicContact CD1-CD1 3.7Å; L68-F118 HydrophobicContact CD1-CD2 3.97Å; L68-F118 HydrophobicContact CD1-CE1 3.72Å; L68-F118 HydrophobicContact CD1-CE2 4.02Å; L68-F118 HydrophobicContact CD1-CG 3.78Å; L68-F118 HydrophobicContact CD1-CZ 3.88Å; L68-F118 HydrophobicContact CD2-CD2 4.05Å; L68-F118 HydrophobicContact CD2-CE2 4.47Å; L68-F118 HydrophobicContact CD2-CG 4.3Å; L68-Y122 PolarHBondContact O-OH 3.35Å |
| 69 | N | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.6 | -17.3 | 179 | -82.8 | -61.8 | 0 | 0 | 0 | 114 | F55 I56 W65 A66 K67 Y71 Y72 L73 F135 V139 | F55-N69 WeakPolarHBondContact CA-OD1 3.37Å; F55-N69 VanDerWaalsContact CB-OD1 3.29Å; F55-N69 WeakPolarHBondContact CB-OD1 3.29Å; I56-N69 VanDerWaalsContact CG2-ND2 3.27Å; I56-N69 WeakPolarHBondContact CG2-ND2 3.5Å; I56-N69 PolarHBondContact N-OD1 3.43Å; I56-N69 PolarHBondContact O-ND2 3.34Å; W65-N69 WeakPolarHBondContact O-CB 3.42Å; W65-N69 PolarHBondContact O-N 3.48Å; W65-N69 VanDerWaalsContact O-N 3.13Å; W65-N69 PolarHBondContact O-ND2 2.85Å; A66-N69 PolarHBondContact O-N 3.02Å; A66-N69 VanDerWaalsContact O-N 3.08Å; K67-N69 PolarHBondContact O-N 2.93Å; N69-Y71 VanDerWaalsContact C-N 3.28Å; N69-Y71 PolarHBondContact O-N 3.13Å; N69-Y72 PolarHBondContact O-N 2.9Å; N69-L73 WeakPolarHBondContact O-CB 3.08Å; N69-L73 PolarHBondContact O-N 3.27Å; N69-F135 HydrophobicContact CB-CE1 4.45Å; N69-F135 HydrophobicContact CB-CZ 3.95Å; N69-V139 HydrophobicContact CB-CG1 4.29Å; N69-V139 HydrophobicContact CB-CG2 4.04Å |
| 70 | L | 95.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.6 | -41.7 | -176.5 | -70.6 | 171.1 | 0 | 0 | 0 | 112.9 | A66 K67 E74 I101 K104 R105 I108 M111 V139 A143 | A66-L70 PolarHBondContact O-N 2.96Å; K67-L70 WeakPolarHBondContact O-CB 3.4Å; K67-L70 PolarHBondContact O-N 3.19Å; L70-E74 WeakPolarHBondContact O-CB 3.15Å; L70-E74 PolarHBondContact O-N 3.04Å; L70-I101 HydrophobicContact CB-CG2 4.1Å; L70-I101 HydrophobicContact CD2-CG1 4.38Å; L70-I101 HydrophobicContact CD2-CG2 4.02Å; L70-I101 VanDerWaalsContact O-CG2 3.28Å; L70-I101 WeakPolarHBondContact O-CG2 3.27Å; L70-K104 HydrophobicContact CD1-CB 3.99Å; L70-K104 HydrophobicContact CD2-CB 4.41Å; L70-R105 HydrophobicContact CB-CG 3.73Å; L70-R105 HydrophobicContact CD1-CG 4.24Å; L70-I108 HydrophobicContact CD1-CD1 3.55Å; L70-M111 HydrophobicContact CB-CE 4.06Å; L70-M111 HydrophobicContact CD1-CE 4.27Å; L70-V139 HydrophobicContact CD2-CG1 3.95Å; L70-V139 HydrophobicContact CG-CG1 4.48Å; L70-A143 HydrophobicContact CD1-CB 4.13Å; L70-A143 HydrophobicContact CD2-CB 3.96Å; L70-A143 HydrophobicContact CG-CB 4.34Å |
| 71 | Y | 95.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 30.9 Ų | 30.9 | 26% | 0.263 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.1 | -57.3 | -179.1 | -179.8 | -80.9 | 0 | 0 | 0 | 112.4 | N69 L73 E74 E75 M115 | N69-Y71 VanDerWaalsContact C-N 3.28Å; N69-Y71 PolarHBondContact O-N 3.13Å; Y71-L73 VanDerWaalsContact C-N 3.26Å; Y71-L73 PolarHBondContact O-N 3.01Å; Y71-E74 WeakPolarHBondContact O-CB 3.46Å; Y71-E74 PolarHBondContact O-N 3.44Å; Y71-E75 HydrophobicContact CD1-CG 4.32Å; Y71-E75 HydrophobicContact CE1-CG 3.91Å; Y71-E75 PolarHBondContact O-N 3.17Å; Y71-E75 VanDerWaalsContact O-N 3.17Å; Y71-M115 WeakPolarHBondContact CB-SD 3.19Å; Y71-M115 HydrophobicContact CD1-CE 3.22Å; Y71-M115 HydrophobicContact CD1-SD 4.12Å; Y71-M115 HydrophobicContact CD2-CE 3.79Å; Y71-M115 HydrophobicContact CD2-SD 3.65Å; Y71-M115 HydrophobicContact CE1-CE 3.78Å; Y71-M115 HydrophobicContact CE2-CE 4.32Å; Y71-M115 HydrophobicContact CE2-SD 4.48Å; Y71-M115 HydrophobicContact CG-CE 3.25Å; Y71-M115 HydrophobicContact CG-SD 3.48Å |
| 72 | Y | 97.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -23.1 | -175 | -71.2 | -60.2 | 0 | 0 | 0 | 112.3 | K54 N69 S76 M115 Y122 | K54-Y72 HydrophobicContact CB-CD1 4Å; K54-Y72 HydrophobicContact CB-CD2 4.35Å; K54-Y72 HydrophobicContact CB-CG 3.9Å; K54-Y72 HydrophobicContact CD-CD1 3.96Å; K54-Y72 HydrophobicContact CD-CD2 4.18Å; K54-Y72 HydrophobicContact CD-CE1 3.66Å; K54-Y72 HydrophobicContact CD-CE2 3.84Å; K54-Y72 HydrophobicContact CD-CG 4.23Å; K54-Y72 HydrophobicContact CG-CD1 4.21Å; K54-Y72 HydrophobicContact CG-CD2 3.99Å; K54-Y72 HydrophobicContact CG-CE1 4.37Å; K54-Y72 HydrophobicContact CG-CE2 4.11Å; K54-Y72 HydrophobicContact CG-CG 4.04Å; K54-Y72 PolarHBondContact NZ-OH 3.45Å; K54-Y72 WeakPolarHBondContact O-CB 3.2Å; N69-Y72 PolarHBondContact O-N 2.9Å; Y72-S76 VanDerWaalsContact O-CB 3.26Å; Y72-S76 WeakPolarHBondContact O-CB 3.32Å; Y72-S76 PolarHBondContact O-N 3.02Å; Y72-M115 HydrophobicContact CD2-CE 4.24Å; Y72-M115 HydrophobicContact CE1-CE 4.43Å; Y72-M115 HydrophobicContact CE2-CE 3.72Å; Y72-Y122 AromaticContact CD2-CD1 3.56Å; Y72-Y122 HydrophobicContact CD2-CD1 3.56Å; Y72-Y122 AromaticContact CD2-CE1 3.4Å; Y72-Y122 HydrophobicContact CD2-CE1 3.4Å; Y72-Y122 HydrophobicContact CD2-CG 4.3Å; Y72-Y122 AromaticContact CD2-CZ 3.99Å; Y72-Y122 AromaticContact CE2-CD1 3.65Å; Y72-Y122 HydrophobicContact CE2-CD1 3.65Å; Y72-Y122 HydrophobicContact CE2-CD2 4.15Å; Y72-Y122 AromaticContact CE2-CE1 3.62Å; Y72-Y122 HydrophobicContact CE2-CE1 3.62Å; Y72-Y122 HydrophobicContact CE2-CE2 4.09Å; Y72-Y122 AromaticContact CE2-CG 3.93Å; Y72-Y122 HydrophobicContact CE2-CG 3.93Å; Y72-Y122 AromaticContact CE2-CZ 3.82Å |
| 73 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 170 | -170.2 | 61.1 | 0 | 0 | 0 | 111.7 | I53 N69 Y71 S76 L77 I101 Y132 F135 V136 V139 | I53-L73 HydrophobicContact CD1-CD1 4.14Å; N69-L73 WeakPolarHBondContact O-CB 3.08Å; N69-L73 PolarHBondContact O-N 3.27Å; Y71-L73 VanDerWaalsContact C-N 3.26Å; Y71-L73 PolarHBondContact O-N 3.01Å; L73-S76 PolarHBondContact O-N 3.24Å; L73-L77 HydrophobicContact CG-CD1 4.23Å; L73-L77 WeakPolarHBondContact O-CB 3.01Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-I101 HydrophobicContact CB-CD1 4.49Å; L73-I101 HydrophobicContact CD2-CD1 3.89Å; L73-I101 HydrophobicContact CG-CD1 3.96Å; L73-Y132 HydrophobicContact CD1-CE2 4.47Å; L73-F135 HydrophobicContact CD1-CD1 4.11Å; L73-F135 HydrophobicContact CD1-CE1 4.18Å; L73-V136 HydrophobicContact CD1-CG2 3.72Å; L73-V136 HydrophobicContact CD2-CG2 4.46Å; L73-V136 HydrophobicContact CG-CG2 4.47Å; L73-V139 HydrophobicContact CD2-CB 3.88Å; L73-V139 HydrophobicContact CD2-CG1 3.73Å; L73-V139 HydrophobicContact CD2-CG2 4.37Å |
| 74 | E | 97.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 174.4 | -172.3 | -172.3 | 122.2 | 0 | 0 | 111.6 | L70 Y71 S76 L77 K78 I98 I101 E102 R105 | L70-E74 WeakPolarHBondContact O-CB 3.15Å; L70-E74 PolarHBondContact O-N 3.04Å; Y71-E74 WeakPolarHBondContact O-CB 3.46Å; Y71-E74 PolarHBondContact O-N 3.44Å; E74-S76 PolarHBondContact O-N 2.95Å; E74-L77 PolarHBondContact O-N 3.37Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 2.9Å; E74-K78 VanDerWaalsContact OE1-CE 3.29Å; E74-K78 WeakPolarHBondContact OE1-CE 3.25Å; E74-K78 IonicContact OE1-NZ 3.87Å; E74-K78 PolarHBondContact OE1-NZ 2.77Å; E74-I98 HydrophobicContact CG-CG2 4.15Å; E74-I101 HydrophobicContact CB-CG2 3.82Å; E74-I101 HydrophobicContact CG-CG2 4.38Å; E74-E102 HydrophobicContact CG-CG 4.3Å; E74-R105 IonicContact OE1-NH1 3.08Å; E74-R105 PolarHBondContact OE1-NH1 2.04Å; E74-R105 VanDerWaalsContact OE1-NH1 3.15Å; E74-R105 WeakPolarHBondContact OE2-CD 3.49Å; E74-R105 IonicContact OE2-CZ 2.65Å; E74-R105 IonicContact OE2-NE 2.72Å; E74-R105 IonicContact OE2-NH1 3.15Å; E74-R105 PolarHBondContact OE2-NH1 3.07Å |
| 75 | E | 98.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 36.3 Ų | 36.3 | 33% | 0.327 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62 | -44.2 | 179.4 | -67.6 | -64.6 | 105.9 | 0 | 0 | 111.4 | Y71 L77 K78 D79 | Y71-E75 HydrophobicContact CD1-CG 4.32Å; Y71-E75 HydrophobicContact CE1-CG 3.91Å; Y71-E75 PolarHBondContact O-N 3.17Å; Y71-E75 VanDerWaalsContact O-N 3.17Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.21Å; E75-K78 WeakPolarHBondContact O-CB 3.08Å; E75-K78 PolarHBondContact O-N 2.92Å; E75-K78 IonicContact OE1-NZ 2.63Å; E75-K78 PolarHBondContact OE1-NZ 3.37Å; E75-D79 PolarHBondContact O-N 3.12Å |
| 76 | S | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 42 Ų | 42 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | P52 Y72 L73 E74 L80 Y132 | P52-S76 PolarHBondContact O-OG 2.94Å; Y72-S76 VanDerWaalsContact O-CB 3.26Å; Y72-S76 WeakPolarHBondContact O-CB 3.32Å; Y72-S76 PolarHBondContact O-N 3.02Å; L73-S76 PolarHBondContact O-N 3.24Å; E74-S76 PolarHBondContact O-N 2.95Å; S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.06Å; S76-Y132 WeakPolarHBondContact CB-OH 3.48Å; S76-Y132 WeakPolarHBondContact OG-CE2 3.26Å; S76-Y132 PolarHBondContact OG-OH 3.12Å |
| 77 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.3 | -37.8 | 176.5 | -75.2 | 168.1 | 0 | 0 | 0 | 112 | L73 E74 E75 L80 S81 I94 L97 I98 I101 Y132 F133 V136 | L73-L77 HydrophobicContact CG-CD1 4.23Å; L73-L77 WeakPolarHBondContact O-CB 3.01Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 3.4Å; E74-L77 PolarHBondContact O-N 3.37Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.21Å; L77-L80 PolarHBondContact O-N 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.18Å; L77-S81 PolarHBondContact O-N 3.04Å; L77-I94 HydrophobicContact CB-CG2 4.11Å; L77-I94 HydrophobicContact CD2-CG2 4.19Å; L77-I94 VanDerWaalsContact O-CG2 3.26Å; L77-I94 WeakPolarHBondContact O-CG2 3.33Å; L77-L97 HydrophobicContact CD1-CB 4.19Å; L77-I98 HydrophobicContact CB-CD1 4.14Å; L77-I98 HydrophobicContact CB-CG1 3.68Å; L77-I101 HydrophobicContact CD1-CD1 3.38Å; L77-Y132 HydrophobicContact CD2-CE1 3.96Å; L77-Y132 WeakPolarHBondContact CD2-OH 3.14Å; L77-Y132 WeakPolarHBondContact CG-OH 3.43Å; L77-Y132 PolarHBondContact N-OH 3.42Å; L77-F133 HydrophobicContact CD2-CE1 4.43Å; L77-V136 HydrophobicContact CD2-CG2 4.46Å |
| 78 | K | 98.6 | Very high | 97 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 27% | 0.274 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 172.9 | -74.7 | 173.9 | -173.9 | 160.6 | 0 | 110.6 | E74 E75 L80 S81 E82 I98 | E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 2.9Å; E74-K78 VanDerWaalsContact OE1-CE 3.29Å; E74-K78 WeakPolarHBondContact OE1-CE 3.25Å; E74-K78 IonicContact OE1-NZ 3.87Å; E74-K78 PolarHBondContact OE1-NZ 2.77Å; E75-K78 WeakPolarHBondContact O-CB 3.08Å; E75-K78 PolarHBondContact O-N 2.92Å; E75-K78 IonicContact OE1-NZ 2.63Å; E75-K78 PolarHBondContact OE1-NZ 3.37Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 3.3Å; K78-S81 WeakPolarHBondContact O-CB 3.42Å; K78-S81 PolarHBondContact O-N 2.87Å; K78-S81 PolarHBondContact O-OG 3.35Å; K78-E82 PolarHBondContact O-N 2.65Å; K78-I98 HydrophobicContact CB-CD1 4.45Å; K78-I98 HydrophobicContact CG-CD1 3.84Å; K78-I98 HydrophobicContact CG-CG1 4.46Å; K78-I98 HydrophobicContact CG-CG2 4.47Å |
| 79 | D | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -37.2 | 177.6 | -77.2 | -5.9 | 0 | 0 | 0 | 112.9 | E75 K83 | E75-D79 PolarHBondContact O-N 3.12Å; D79-K83 PolarHBondContact O-NZ 2.93Å |
| 80 | L | 98.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 175.5 | -176.2 | 62 | 0 | 0 | 0 | 111.5 | I45 Y49 I51 S76 L77 K78 E82 K83 F84 I94 Y132 F133 | I45-L80 HydrophobicContact CD1-CD2 4.38Å; Y49-L80 HydrophobicContact CE1-CD1 3.78Å; I51-L80 HydrophobicContact CD1-CD1 4.43Å; I51-L80 HydrophobicContact CD1-CD2 4.02Å; I51-L80 HydrophobicContact CG1-CD1 4.31Å; I51-L80 HydrophobicContact CG2-CD2 4.46Å; S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.06Å; L77-L80 PolarHBondContact O-N 3.27Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 3.3Å; L80-E82 PolarHBondContact O-N 3.35Å; L80-K83 VanDerWaalsContact O-CB 3.31Å; L80-K83 WeakPolarHBondContact O-CB 3.29Å; L80-K83 PolarHBondContact O-N 3.49Å; L80-K83 VanDerWaalsContact O-N 3.07Å; L80-F84 HydrophobicContact CD1-CE2 4.17Å; L80-F84 HydrophobicContact CG-CE2 4.17Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-I94 HydrophobicContact CD2-CD1 4.01Å; L80-I94 HydrophobicContact CG-CD1 3.87Å; L80-Y132 HydrophobicContact CD2-CE1 4.22Å; L80-F133 HydrophobicContact CD2-CE2 4.39Å; L80-F133 HydrophobicContact CD2-CZ 3.75Å |
| 81 | S | 98.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -36.7 | -179.8 | 83.4 | 0 | 0 | 0 | 0 | 111.9 | L77 K78 K83 F84 N91 | L77-S81 WeakPolarHBondContact O-CB 3.18Å; L77-S81 PolarHBondContact O-N 3.04Å; K78-S81 WeakPolarHBondContact O-CB 3.42Å; K78-S81 PolarHBondContact O-N 2.87Å; K78-S81 PolarHBondContact O-OG 3.35Å; S81-K83 PolarHBondContact O-N 3.15Å; S81-K83 VanDerWaalsContact O-N 3.15Å; S81-F84 PolarHBondContact O-N 3.33Å; S81-N91 PolarHBondContact O-ND2 3.17Å |
| 82 | E | 97.9 | Very high | 97.4 | Very high | 143 Ų | 143 | 57.5 Ų | 57.5 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.5 | 178.3 | -64.9 | -174.8 | 165.5 | 0 | 0 | 113.5 | K78 L80 F84 | K78-E82 PolarHBondContact O-N 2.65Å; L80-E82 PolarHBondContact O-N 3.35Å; E82-F84 PolarHBondContact O-N 3.01Å |
| 83 | K | 97.8 | Very high | 97.4 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 54% | 0.543 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 176.6 | -56.2 | -68.4 | 171.1 | -71.3 | 0 | 112.6 | D79 L80 S81 | D79-K83 PolarHBondContact O-NZ 2.93Å; L80-K83 VanDerWaalsContact O-CB 3.31Å; L80-K83 WeakPolarHBondContact O-CB 3.29Å; L80-K83 PolarHBondContact O-N 3.49Å; L80-K83 VanDerWaalsContact O-N 3.07Å; S81-K83 PolarHBondContact O-N 3.15Å; S81-K83 VanDerWaalsContact O-N 3.15Å |
| 84 | F | 97.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -112.8 | 147 | -179.4 | -59.1 | -76.8 | 0 | 0 | 0 | 110.8 | I45 L80 S81 E82 N90 N91 I94 | I45-F84 HydrophobicContact CD1-CE2 4.17Å; I45-F84 HydrophobicContact CD1-CZ 3.78Å; I45-F84 HydrophobicContact CG1-CE1 4.48Å; I45-F84 HydrophobicContact CG1-CZ 3.8Å; L80-F84 HydrophobicContact CD1-CE2 4.17Å; L80-F84 HydrophobicContact CG-CE2 4.17Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; S81-F84 PolarHBondContact O-N 3.33Å; E82-F84 PolarHBondContact O-N 3.01Å; F84-N90 HydrophobicContact CD1-CB 3.69Å; F84-N90 HydrophobicContact CD2-CB 4.18Å; F84-N90 HydrophobicContact CE1-CB 3.84Å; F84-N90 VanDerWaalsContact CE1-ND2 3.29Å; F84-N90 WeakPolarHBondContact CE1-ND2 3.27Å; F84-N90 HydrophobicContact CE2-CB 4.31Å; F84-N90 HydrophobicContact CG-CB 3.88Å; F84-N90 HydrophobicContact CZ-CB 4.16Å; F84-N91 HydrophobicContact CB-CB 3.85Å; F84-I94 HydrophobicContact CD2-CD1 3.71Å; F84-I94 HydrophobicContact CE2-CD1 3.6Å |
| 85 | G | 96.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | trans | -60.6 | 148.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I87 S88 N91 | G85-I87 PolarHBondContact O-N 3.44Å; G85-I87 VanDerWaalsContact O-N 3.09Å; G85-S88 WeakPolarHBondContact O-CB 3.23Å; G85-S88 PolarHBondContact O-N 3.44Å; G85-N91 WeakPolarHBondContact O-CB 3.44Å | ||
| 86 | N | 94.3 | Very high | 97.2 | Very high | 140 Ų | 140 | 57.8 Ų | 57.8 | 75% | 0.749 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.2 | -177.4 | 63.5 | -19.3 | 0 | 0 | 0 | 115.4 | ||
| 87 | I | 93.9 | Very high | 97.1 | Very high | 161 Ų | 161 | 57.5 Ų | 57.5 | 83% | 0.826 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.3 | 176.3 | 62.4 | 169.2 | 0 | 0 | 0 | 113.5 | G85 | G85-I87 PolarHBondContact O-N 3.44Å; G85-I87 VanDerWaalsContact O-N 3.09Å |
| 88 | S | 97.4 | Very high | 97 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | trans | -69.8 | 140.6 | -179.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | G85 N90 N91 L92 | G85-S88 WeakPolarHBondContact O-CB 3.23Å; G85-S88 PolarHBondContact O-N 3.44Å; S88-N90 PolarHBondContact O-N 3.12Å; S88-N90 PolarHBondContact OG-N 3.16Å; S88-N91 PolarHBondContact O-N 3.46Å; S88-L92 PolarHBondContact O-N 2.54Å | ||
| 89 | S | 96.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.7 | -34.1 | 169.9 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | L92 N93 | S89-L92 PolarHBondContact O-N 3.19Å; S89-N93 WeakPolarHBondContact O-CB 3.2Å; S89-N93 PolarHBondContact O-N 3.26Å |
| 90 | N | 97.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | 175.9 | -71.4 | -9.5 | 0 | 0 | 0 | 111.2 | L41 N44 F84 S88 L92 N93 I94 | L41-N90 HydrophobicContact CD2-CB 4.07Å; N44-N90 WeakPolarHBondContact CB-OD1 3.43Å; N44-N90 PolarHBondContact ND2-OD1 2.83Å; N44-N90 VanDerWaalsContact ND2-OD1 3.11Å; F84-N90 HydrophobicContact CD1-CB 3.69Å; F84-N90 HydrophobicContact CD2-CB 4.18Å; F84-N90 HydrophobicContact CE1-CB 3.84Å; F84-N90 VanDerWaalsContact CE1-ND2 3.29Å; F84-N90 WeakPolarHBondContact CE1-ND2 3.27Å; F84-N90 HydrophobicContact CE2-CB 4.31Å; F84-N90 HydrophobicContact CG-CB 3.88Å; F84-N90 HydrophobicContact CZ-CB 4.16Å; S88-N90 PolarHBondContact O-N 3.12Å; S88-N90 PolarHBondContact OG-N 3.16Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.03Å; N90-N93 PolarHBondContact O-N 2.95Å; N90-I94 WeakPolarHBondContact O-CB 3.35Å; N90-I94 WeakPolarHBondContact O-CD1 3.27Å; N90-I94 VanDerWaalsContact O-CG1 3.26Å; N90-I94 WeakPolarHBondContact O-CG1 3.33Å; N90-I94 PolarHBondContact O-N 2.67Å |
| 91 | N | 97.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 175.4 | -172.8 | -89.5 | 0 | 0 | 0 | 110.3 | S81 F84 G85 S88 N93 I94 Q95 | S81-N91 PolarHBondContact O-ND2 3.17Å; F84-N91 HydrophobicContact CB-CB 3.85Å; G85-N91 WeakPolarHBondContact O-CB 3.44Å; S88-N91 PolarHBondContact O-N 3.46Å; N91-N93 PolarHBondContact O-N 3.3Å; N91-I94 PolarHBondContact O-N 2.96Å; N91-Q95 VanDerWaalsContact O-CG 3.28Å; N91-Q95 WeakPolarHBondContact O-CG 3.29Å; N91-Q95 PolarHBondContact O-N 2.72Å |
| 92 | L | 96.1 | Very high | 96 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 177 | 178.4 | 63.1 | 0 | 0 | 0 | 112.6 | S88 S89 N90 I94 Q95 I96 | S88-L92 PolarHBondContact O-N 2.54Å; S89-L92 PolarHBondContact O-N 3.19Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.03Å; L92-I94 VanDerWaalsContact C-N 3.33Å; L92-I94 PolarHBondContact O-N 3.49Å; L92-Q95 PolarHBondContact O-N 2.95Å; L92-I96 HydrophobicContact CD1-CD1 4.28Å; L92-I96 HydrophobicContact CG-CD1 4.17Å; L92-I96 WeakPolarHBondContact O-CG1 3.25Å; L92-I96 PolarHBondContact O-N 3.42Å |
| 93 | N | 96.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 178.9 | -78.4 | -11.8 | 0 | 0 | 0 | 111.7 | R37 D40 L41 S89 N90 N91 I96 L97 | R37-N93 HydrophobicContact CB-CB 4.38Å; R37-N93 WeakPolarHBondContact CD-OD1 3.42Å; R37-N93 PolarHBondContact NH1-OD1 3.05Å; D40-N93 WeakPolarHBondContact CB-ND2 3.43Å; L41-N93 HydrophobicContact CD1-CB 4.11Å; L41-N93 HydrophobicContact CD2-CB 3.91Å; L41-N93 HydrophobicContact CG-CB 3.96Å; S89-N93 WeakPolarHBondContact O-CB 3.2Å; S89-N93 PolarHBondContact O-N 3.26Å; N90-N93 PolarHBondContact O-N 2.95Å; N91-N93 PolarHBondContact O-N 3.3Å; N93-I96 PolarHBondContact O-N 3.22Å; N93-L97 WeakPolarHBondContact O-CG 3.08Å; N93-L97 PolarHBondContact O-N 3.42Å |
| 94 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.4 | -67.6 | 162.3 | 0 | 0 | 0 | 111 | L41 L77 L80 F84 N90 N91 L92 I96 L97 I98 | L41-I94 HydrophobicContact CD1-CG1 3.9Å; L41-I94 HydrophobicContact CD2-CD1 4.16Å; L41-I94 HydrophobicContact CD2-CG1 3.75Å; L77-I94 HydrophobicContact CB-CG2 4.11Å; L77-I94 HydrophobicContact CD2-CG2 4.19Å; L77-I94 VanDerWaalsContact O-CG2 3.26Å; L77-I94 WeakPolarHBondContact O-CG2 3.33Å; L80-I94 HydrophobicContact CD2-CD1 4.01Å; L80-I94 HydrophobicContact CG-CD1 3.87Å; F84-I94 HydrophobicContact CD2-CD1 3.71Å; F84-I94 HydrophobicContact CE2-CD1 3.6Å; N90-I94 WeakPolarHBondContact O-CB 3.35Å; N90-I94 WeakPolarHBondContact O-CD1 3.27Å; N90-I94 VanDerWaalsContact O-CG1 3.26Å; N90-I94 WeakPolarHBondContact O-CG1 3.33Å; N90-I94 PolarHBondContact O-N 2.67Å; N91-I94 PolarHBondContact O-N 2.96Å; L92-I94 VanDerWaalsContact C-N 3.33Å; L92-I94 PolarHBondContact O-N 3.49Å; I94-I96 VanDerWaalsContact C-N 3.28Å; I94-I96 PolarHBondContact O-N 3.2Å; I94-L97 WeakPolarHBondContact O-CB 3.03Å; I94-L97 PolarHBondContact O-N 3.36Å; I94-I98 HydrophobicContact CG2-CD1 3.84Å; I94-I98 HydrophobicContact CG2-CG1 4.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.21Å; I94-I98 PolarHBondContact O-N 3.37Å |
| 95 | Q | 96.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 178.1 | -70.5 | -65 | -13.1 | 0 | 0 | 112.4 | N91 L92 L97 I98 Q99 | N91-Q95 VanDerWaalsContact O-CG 3.28Å; N91-Q95 WeakPolarHBondContact O-CG 3.29Å; N91-Q95 PolarHBondContact O-N 2.72Å; L92-Q95 PolarHBondContact O-N 2.95Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-I98 PolarHBondContact O-N 2.77Å; Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 PolarHBondContact O-N 3.49Å |
| 96 | I | 94.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 173.9 | -68.2 | 165.5 | 0 | 0 | 0 | 111.1 | R37 L92 N93 I94 Q99 F100 | R37-I96 HydrophobicContact CG-CG2 4.24Å; L92-I96 HydrophobicContact CD1-CD1 4.28Å; L92-I96 HydrophobicContact CG-CD1 4.17Å; L92-I96 WeakPolarHBondContact O-CG1 3.25Å; L92-I96 PolarHBondContact O-N 3.42Å; N93-I96 PolarHBondContact O-N 3.22Å; I94-I96 VanDerWaalsContact C-N 3.28Å; I94-I96 PolarHBondContact O-N 3.2Å; I96-Q99 PolarHBondContact O-N 2.92Å; I96-F100 PolarHBondContact O-N 3.18Å |
| 97 | L | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175.8 | -65.7 | 174.9 | 0 | 0 | 0 | 112 | I34 R37 V38 L41 L77 N93 I94 Q95 F100 I101 V136 | I34-L97 HydrophobicContact CG1-CD2 4.22Å; R37-L97 HydrophobicContact CB-CD2 4.18Å; R37-L97 HydrophobicContact CB-CG 4.31Å; V38-L97 HydrophobicContact CG2-CD1 4.28Å; V38-L97 HydrophobicContact CG2-CD2 4.41Å; L41-L97 HydrophobicContact CD1-CD1 3.56Å; L77-L97 HydrophobicContact CD1-CB 4.19Å; N93-L97 WeakPolarHBondContact O-CG 3.08Å; N93-L97 PolarHBondContact O-N 3.42Å; I94-L97 WeakPolarHBondContact O-CB 3.03Å; I94-L97 PolarHBondContact O-N 3.36Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; L97-F100 PolarHBondContact O-N 3.13Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.08Å; L97-V136 HydrophobicContact CD1-CG1 4.2Å |
| 98 | I | 96.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | 174.4 | -69 | 165.8 | 0 | 0 | 0 | 109.9 | E74 L77 K78 I94 Q95 F100 I101 E102 | E74-I98 HydrophobicContact CG-CG2 4.15Å; L77-I98 HydrophobicContact CB-CD1 4.14Å; L77-I98 HydrophobicContact CB-CG1 3.68Å; K78-I98 HydrophobicContact CB-CD1 4.45Å; K78-I98 HydrophobicContact CG-CD1 3.84Å; K78-I98 HydrophobicContact CG-CG1 4.46Å; K78-I98 HydrophobicContact CG-CG2 4.47Å; I94-I98 HydrophobicContact CG2-CD1 3.84Å; I94-I98 HydrophobicContact CG2-CG1 4.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.21Å; I94-I98 PolarHBondContact O-N 3.37Å; Q95-I98 PolarHBondContact O-N 2.77Å; I98-F100 VanDerWaalsContact C-N 3.29Å; I98-F100 PolarHBondContact O-N 2.87Å; I98-I101 PolarHBondContact O-N 3.38Å; I98-I101 VanDerWaalsContact O-N 3.07Å; I98-E102 HydrophobicContact CG2-CG 4.22Å; I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.14Å |
| 99 | Q | 94.3 | Very high | 92.4 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 179.3 | -174.8 | 64.8 | 51 | 0 | 0 | 112.1 | V30 Q95 I96 E102 E103 | V30-Q99 HydrophobicContact CG2-CG 3.68Å; Q95-Q99 WeakPolarHBondContact O-CB 3.42Å; Q95-Q99 PolarHBondContact O-N 3.49Å; I96-Q99 PolarHBondContact O-N 2.92Å; Q99-E102 PolarHBondContact O-N 3.34Å; Q99-E103 WeakPolarHBondContact O-CG 3.18Å; Q99-E103 PolarHBondContact O-N 2.73Å; Q99-E103 VanDerWaalsContact O-N 3.1Å |
| 100 | F | 92.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 174 | 175.2 | -89.4 | 0 | 0 | 0 | 111.7 | V30 N32 I34 I96 L97 I98 E103 K104 C140 D144 | V30-F100 HydrophobicContact CG1-CB 3.84Å; V30-F100 HydrophobicContact CG1-CD2 4.01Å; V30-F100 HydrophobicContact CG1-CG 4.43Å; N32-F100 HydrophobicContact CB-CD2 4.49Å; N32-F100 HydrophobicContact CB-CE2 3.97Å; I34-F100 HydrophobicContact CD1-CD1 4.34Å; I34-F100 HydrophobicContact CD1-CE1 3.89Å; I34-F100 HydrophobicContact CD1-CE2 4.39Å; I34-F100 HydrophobicContact CD1-CZ 3.9Å; I96-F100 PolarHBondContact O-N 3.18Å; L97-F100 PolarHBondContact O-N 3.13Å; I98-F100 VanDerWaalsContact C-N 3.29Å; I98-F100 PolarHBondContact O-N 2.87Å; F100-E103 PolarHBondContact O-N 3.3Å; F100-K104 HydrophobicContact CD1-CG 4.32Å; F100-K104 HydrophobicContact CE1-CG 3.86Å; F100-K104 HydrophobicContact CZ-CD 4.37Å; F100-K104 VanDerWaalsContact CZ-CE 3.42Å; F100-K104 HydrophobicContact CZ-CG 4.06Å; F100-K104 WeakPolarHBondContact O-CG 3.48Å; F100-K104 PolarHBondContact O-N 2.73Å; F100-K104 VanDerWaalsContact O-N 3.12Å; F100-C140 HydrophobicContact CD1-CB 4.11Å; F100-C140 HydrophobicContact CE1-CB 3.6Å; F100-C140 HydrophobicContact CZ-CB 4.49Å; F100-D144 HydrophobicContact CZ-CB 4.15Å |
| 101 | I | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | -180 | -68.9 | 165 | 0 | 0 | 0 | 111.1 | L70 L73 E74 L77 L97 I98 E103 K104 R105 | L70-I101 HydrophobicContact CB-CG2 4.1Å; L70-I101 HydrophobicContact CD2-CG1 4.38Å; L70-I101 HydrophobicContact CD2-CG2 4.02Å; L70-I101 VanDerWaalsContact O-CG2 3.28Å; L70-I101 WeakPolarHBondContact O-CG2 3.27Å; L73-I101 HydrophobicContact CB-CD1 4.49Å; L73-I101 HydrophobicContact CD2-CD1 3.89Å; L73-I101 HydrophobicContact CG-CD1 3.96Å; E74-I101 HydrophobicContact CB-CG2 3.82Å; E74-I101 HydrophobicContact CG-CG2 4.38Å; L77-I101 HydrophobicContact CD1-CD1 3.38Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.08Å; I98-I101 PolarHBondContact O-N 3.38Å; I98-I101 VanDerWaalsContact O-N 3.07Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.3Å; I101-K104 WeakPolarHBondContact O-CB 3.24Å; I101-K104 PolarHBondContact O-N 2.88Å; I101-K104 VanDerWaalsContact O-N 3.15Å; I101-R105 HydrophobicContact CG2-CG 4.37Å; I101-R105 WeakPolarHBondContact O-CG 3.46Å; I101-R105 PolarHBondContact O-N 3.15Å |
| 102 | E | 92.9 | Very high | 90.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 176.9 | -75.5 | -180 | 170.2 | 0 | 0 | 111.4 | E74 I98 Q99 K104 R105 I106 | E74-E102 HydrophobicContact CG-CG 4.3Å; I98-E102 HydrophobicContact CG2-CG 4.22Å; I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.14Å; Q99-E102 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.25Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-I106 WeakPolarHBondContact O-CG1 3.28Å; E102-I106 PolarHBondContact O-N 3.03Å |
| 103 | E | 89.6 | Confident | 90.5 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.6 | -74.6 | -162 | 172.3 | 0 | 0 | 112.6 | V30 Q99 F100 I101 R105 I106 | V30-E103 HydrophobicContact CB-CG 4.47Å; V30-E103 WeakPolarHBondContact CB-OE2 3.48Å; V30-E103 HydrophobicContact CG2-CG 3.87Å; V30-E103 WeakPolarHBondContact CG2-OE1 3.28Å; V30-E103 WeakPolarHBondContact CG2-OE2 3.42Å; V30-E103 PolarHBondContact N-OE2 3.1Å; Q99-E103 WeakPolarHBondContact O-CG 3.18Å; Q99-E103 PolarHBondContact O-N 2.73Å; Q99-E103 VanDerWaalsContact O-N 3.1Å; F100-E103 PolarHBondContact O-N 3.3Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.3Å; E103-R105 VanDerWaalsContact C-N 3.34Å; E103-I106 PolarHBondContact O-N 3.32Å |
| 104 | K | 88.7 | Confident | 90.1 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.7 | -66.2 | -55.6 | -178 | -179.4 | 0 | 112 | L70 F100 I101 E102 G107 I108 D144 | L70-K104 HydrophobicContact CD1-CB 3.99Å; L70-K104 HydrophobicContact CD2-CB 4.41Å; F100-K104 HydrophobicContact CD1-CG 4.32Å; F100-K104 HydrophobicContact CE1-CG 3.86Å; F100-K104 HydrophobicContact CZ-CD 4.37Å; F100-K104 VanDerWaalsContact CZ-CE 3.42Å; F100-K104 HydrophobicContact CZ-CG 4.06Å; F100-K104 WeakPolarHBondContact O-CG 3.48Å; F100-K104 PolarHBondContact O-N 2.73Å; F100-K104 VanDerWaalsContact O-N 3.12Å; I101-K104 WeakPolarHBondContact O-CB 3.24Å; I101-K104 PolarHBondContact O-N 2.88Å; I101-K104 VanDerWaalsContact O-N 3.15Å; E102-K104 VanDerWaalsContact C-N 3.32Å; E102-K104 PolarHBondContact O-N 3.25Å; K104-G107 PolarHBondContact O-N 3.22Å; K104-I108 WeakPolarHBondContact O-CD1 3.44Å; K104-D144 WeakPolarHBondContact CE-OD1 3.31Å; K104-D144 IonicContact NZ-OD1 3.23Å; K104-D144 PolarHBondContact NZ-OD1 3.15Å |
| 105 | R | 89.7 | Confident | 89.7 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 178.4 | -74.9 | -178.1 | 59.5 | -159.6 | -11.1 | 113.6 | L70 E74 I101 E102 E103 G107 I108 M111 | L70-R105 HydrophobicContact CB-CG 3.73Å; L70-R105 HydrophobicContact CD1-CG 4.24Å; E74-R105 IonicContact OE1-NH1 3.08Å; E74-R105 PolarHBondContact OE1-NH1 2.04Å; E74-R105 VanDerWaalsContact OE1-NH1 3.15Å; E74-R105 WeakPolarHBondContact OE2-CD 3.49Å; E74-R105 IonicContact OE2-CZ 2.65Å; E74-R105 IonicContact OE2-NE 2.72Å; E74-R105 IonicContact OE2-NH1 3.15Å; E74-R105 PolarHBondContact OE2-NH1 3.07Å; I101-R105 HydrophobicContact CG2-CG 4.37Å; I101-R105 WeakPolarHBondContact O-CG 3.46Å; I101-R105 PolarHBondContact O-N 3.15Å; E102-R105 PolarHBondContact O-N 3.15Å; E103-R105 VanDerWaalsContact C-N 3.34Å; R105-G107 PolarHBondContact O-N 2.89Å; R105-I108 WeakPolarHBondContact O-CB 3.31Å; R105-I108 PolarHBondContact O-N 3.44Å; R105-M111 HydrophobicContact CG-CE 3.94Å |
| 106 | I | 86.7 | Confident | 89.5 | Confident | 147 Ų | 147 | 54.5 Ų | 54.5 | 75% | 0.754 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.3 | -30.4 | 178.6 | -70 | 164.4 | 0 | 0 | 0 | 111.3 | E102 E103 I108 | E102-I106 WeakPolarHBondContact O-CG1 3.28Å; E102-I106 PolarHBondContact O-N 3.03Å; E103-I106 PolarHBondContact O-N 3.32Å; I106-I108 PolarHBondContact O-N 3.06Å |
| 107 | G | 81.5 | Confident | 89.4 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K104 R105 | K104-G107 PolarHBondContact O-N 3.22Å; R105-G107 PolarHBondContact O-N 2.89Å |
| 108 | I | 83.4 | Confident | 89.2 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | trans | -100.5 | 117.5 | -173.5 | -67.2 | 162.9 | 0 | 0 | 0 | 110.5 | K67 L70 K104 R105 I106 M111 | K67-I108 HydrophobicContact CD-CD1 4.31Å; K67-I108 HydrophobicContact CD-CG1 4.45Å; K67-I108 HydrophobicContact CD-CG2 4.34Å; K67-I108 HydrophobicContact CG-CD1 3.54Å; K67-I108 HydrophobicContact CG-CG1 4.19Å; K67-I108 HydrophobicContact CG-CG2 4.4Å; L70-I108 HydrophobicContact CD1-CD1 3.55Å; K104-I108 WeakPolarHBondContact O-CD1 3.44Å; R105-I108 WeakPolarHBondContact O-CB 3.31Å; R105-I108 PolarHBondContact O-N 3.44Å; I106-I108 PolarHBondContact O-N 3.06Å; I108-M111 HydrophobicContact CD1-CE 3.58Å; I108-M111 HydrophobicContact CG2-CB 3.93Å; I108-M111 HydrophobicContact CG2-CE 4.28Å; I108-M111 HydrophobicContact CG2-SD 4.23Å | ||
| 109 | S | 80.8 | Confident | 89.1 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 145.7 | 168.9 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | M111 | S109-M111 PolarHBondContact O-N 3.01Š|
| 110 | N | 83.7 | Confident | 89.1 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 21.9 | 171.1 | -56.1 | -32.9 | 0 | 0 | 0 | 116.7 | N112 T113 Q114 | N110-N112 VanDerWaalsContact C-N 3.26Å; N110-N112 PolarHBondContact O-N 3.31Å; N110-N112 VanDerWaalsContact O-N 3.15Å; N110-T113 WeakPolarHBondContact O-CB 3.29Å; N110-T113 PolarHBondContact O-N 3.47Å; N110-Q114 PolarHBondContact O-N 3.34Å; N110-Q114 VanDerWaalsContact O-N 3.07Å |
| 111 | M | 86.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -47.7 | -47.1 | 179.5 | -178.4 | 66 | 105 | 0 | 0 | 112.9 | K67 L70 R105 I108 S109 T113 Q114 M115 | K67-M111 VanDerWaalsContact O-CE 3.24Å; K67-M111 WeakPolarHBondContact O-CE 3.34Å; L70-M111 HydrophobicContact CB-CE 4.06Å; L70-M111 HydrophobicContact CD1-CE 4.27Å; R105-M111 HydrophobicContact CG-CE 3.94Å; I108-M111 HydrophobicContact CD1-CE 3.58Å; I108-M111 HydrophobicContact CG2-CB 3.93Å; I108-M111 HydrophobicContact CG2-CE 4.28Å; I108-M111 HydrophobicContact CG2-SD 4.23Å; S109-M111 PolarHBondContact O-N 3.01Å; M111-T113 VanDerWaalsContact C-N 3.32Å; M111-T113 PolarHBondContact O-N 3.28Å; M111-Q114 PolarHBondContact O-N 3.16Å; M111-M115 HydrophobicContact CG-CG 4.31Å; M111-M115 HydrophobicContact CG-SD 3.95Å; M111-M115 WeakPolarHBondContact O-CB 3.41Å; M111-M115 VanDerWaalsContact O-CG 3.29Å; M111-M115 WeakPolarHBondContact O-CG 3.49Å; M111-M115 PolarHBondContact O-N 3.11Å; M111-M115 HydrophobicContact SD-CG 4.3Å; M111-M115 HydrophobicContact SD-SD 4.46Å |
| 112 | N | 87.8 | Confident | 89.3 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | -178 | -67 | -11.8 | 0 | 0 | 0 | 112.3 | N110 L116 | N110-N112 VanDerWaalsContact C-N 3.26Å; N110-N112 PolarHBondContact O-N 3.31Å; N110-N112 VanDerWaalsContact O-N 3.15Å; N112-L116 VanDerWaalsContact O-CG 3.31Å; N112-L116 WeakPolarHBondContact O-CG 3.15Å; N112-L116 PolarHBondContact O-N 2.88Å; N112-L116 VanDerWaalsContact O-N 3.16Å |
| 113 | T | 89.3 | Confident | 89.5 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 177.5 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | N110 M111 M115 L116 E117 | N110-T113 WeakPolarHBondContact O-CB 3.29Å; N110-T113 PolarHBondContact O-N 3.47Å; M111-T113 VanDerWaalsContact C-N 3.32Å; M111-T113 PolarHBondContact O-N 3.28Å; T113-M115 VanDerWaalsContact C-N 3.32Å; T113-M115 PolarHBondContact O-N 3.38Å; T113-L116 WeakPolarHBondContact O-CB 3.07Å; T113-L116 PolarHBondContact O-N 2.65Å; T113-L116 VanDerWaalsContact O-N 3.11Å; T113-E117 WeakPolarHBondContact O-CG 3.32Å; T113-E117 PolarHBondContact O-N 2.85Å |
| 114 | Q | 88.3 | Confident | 89.8 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.5 | -65.8 | -171.8 | -32.7 | 0 | 0 | 111.4 | K67 L68 N110 M111 L116 E117 F118 | K67-Q114 VanDerWaalsContact CE-OE1 3.26Å; L68-Q114 HydrophobicContact CD2-CB 3.95Å; N110-Q114 PolarHBondContact O-N 3.34Å; N110-Q114 VanDerWaalsContact O-N 3.07Å; M111-Q114 PolarHBondContact O-N 3.16Å; Q114-L116 VanDerWaalsContact C-N 3.3Å; Q114-L116 PolarHBondContact O-N 3.5Å; Q114-E117 PolarHBondContact O-N 3.1Å; Q114-F118 VanDerWaalsContact O-CD2 3.26Å; Q114-F118 WeakPolarHBondContact O-CD2 3.5Å; Q114-F118 PolarHBondContact O-N 3.36Å; Q114-F118 VanDerWaalsContact O-N 3.1Å |
| 115 | M | 91.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -37.3 | 176.4 | -73.9 | 176.1 | 64.2 | 0 | 0 | 113.4 | Y71 Y72 M111 T113 E119 | Y71-M115 WeakPolarHBondContact CB-SD 3.19Å; Y71-M115 HydrophobicContact CD1-CE 3.22Å; Y71-M115 HydrophobicContact CD1-SD 4.12Å; Y71-M115 HydrophobicContact CD2-CE 3.79Å; Y71-M115 HydrophobicContact CD2-SD 3.65Å; Y71-M115 HydrophobicContact CE1-CE 3.78Å; Y71-M115 HydrophobicContact CE2-CE 4.32Å; Y71-M115 HydrophobicContact CE2-SD 4.48Å; Y71-M115 HydrophobicContact CG-CE 3.25Å; Y71-M115 HydrophobicContact CG-SD 3.48Å; Y72-M115 HydrophobicContact CD2-CE 4.24Å; Y72-M115 HydrophobicContact CE1-CE 4.43Å; Y72-M115 HydrophobicContact CE2-CE 3.72Å; M111-M115 HydrophobicContact CG-CG 4.31Å; M111-M115 HydrophobicContact CG-SD 3.95Å; M111-M115 WeakPolarHBondContact O-CB 3.41Å; M111-M115 VanDerWaalsContact O-CG 3.29Å; M111-M115 WeakPolarHBondContact O-CG 3.49Å; M111-M115 PolarHBondContact O-N 3.11Å; M111-M115 HydrophobicContact SD-CG 4.3Å; M111-M115 HydrophobicContact SD-SD 4.46Å; T113-M115 VanDerWaalsContact C-N 3.32Å; T113-M115 PolarHBondContact O-N 3.38Å; M115-E119 PolarHBondContact O-N 3.3Å; M115-E119 VanDerWaalsContact O-N 3.14Å |
| 116 | L | 91.4 | Very high | 90.7 | Very high | 117 Ų | 117 | 72.2 Ų | 72.2 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.3 | -41.3 | 177.2 | -72.5 | 168.5 | 0 | 0 | 0 | 111.5 | N112 T113 Q114 F118 E119 | N112-L116 VanDerWaalsContact O-CG 3.31Å; N112-L116 WeakPolarHBondContact O-CG 3.15Å; N112-L116 PolarHBondContact O-N 2.88Å; N112-L116 VanDerWaalsContact O-N 3.16Å; T113-L116 WeakPolarHBondContact O-CB 3.07Å; T113-L116 PolarHBondContact O-N 2.65Å; T113-L116 VanDerWaalsContact O-N 3.11Å; Q114-L116 VanDerWaalsContact C-N 3.3Å; Q114-L116 PolarHBondContact O-N 3.5Å; L116-F118 PolarHBondContact O-N 2.94Å; L116-E119 VanDerWaalsContact O-CB 3.25Å; L116-E119 WeakPolarHBondContact O-CB 3.14Å; L116-E119 PolarHBondContact O-N 3.38Å; L116-E119 VanDerWaalsContact O-N 3.15Å |
| 117 | E | 91.8 | Very high | 91.3 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 177.1 | -73.4 | 169.7 | 176.3 | 0 | 0 | 112.3 | T113 Q114 P154 | T113-E117 WeakPolarHBondContact O-CG 3.32Å; T113-E117 PolarHBondContact O-N 2.85Å; Q114-E117 PolarHBondContact O-N 3.1Å; E117-P154 HydrophobicContact CB-CG 4.26Å |
| 118 | F | 93.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 6.4 | 177.4 | -76 | -99.3 | 0 | 0 | 0 | 114 | I56 L68 Q114 L116 C120 H121 Y122 C152 P154 | I56-F118 HydrophobicContact CD1-CB 4.12Å; I56-F118 HydrophobicContact CD1-CD1 3.4Å; I56-F118 HydrophobicContact CD1-CE1 4.18Å; I56-F118 HydrophobicContact CD1-CG 4.15Å; L68-F118 HydrophobicContact CD1-CB 4.47Å; L68-F118 HydrophobicContact CD1-CD1 3.7Å; L68-F118 HydrophobicContact CD1-CD2 3.97Å; L68-F118 HydrophobicContact CD1-CE1 3.72Å; L68-F118 HydrophobicContact CD1-CE2 4.02Å; L68-F118 HydrophobicContact CD1-CG 3.78Å; L68-F118 HydrophobicContact CD1-CZ 3.88Å; L68-F118 HydrophobicContact CD2-CD2 4.05Å; L68-F118 HydrophobicContact CD2-CE2 4.47Å; L68-F118 HydrophobicContact CD2-CG 4.3Å; Q114-F118 VanDerWaalsContact O-CD2 3.26Å; Q114-F118 WeakPolarHBondContact O-CD2 3.5Å; Q114-F118 PolarHBondContact O-N 3.36Å; Q114-F118 VanDerWaalsContact O-N 3.1Å; L116-F118 PolarHBondContact O-N 2.94Å; F118-C120 VanDerWaalsContact C-N 3.28Å; F118-C120 PolarHBondContact O-N 2.91Å; F118-C120 VanDerWaalsContact O-N 3.12Å; F118-H121 WeakPolarHBondContact O-CB 3.4Å; F118-H121 PolarHBondContact O-N 3.28Å; F118-Y122 HydrophobicContact CB-CE2 4.07Å; F118-Y122 WeakPolarHBondContact O-CD2 3.48Å; F118-C152 HydrophobicContact CE2-CB 3.93Å; F118-C152 HydrophobicContact CZ-CB 4.03Å; F118-P154 HydrophobicContact CD1-CB 3.99Å; F118-P154 HydrophobicContact CD2-CB 3.96Å; F118-P154 HydrophobicContact CE1-CB 3.9Å; F118-P154 HydrophobicContact CE2-CB 3.85Å; F118-P154 HydrophobicContact CE2-CG 4.4Å; F118-P154 HydrophobicContact CG-CB 4.07Å; F118-P154 VanDerWaalsContact CZ-CA 3.41Å; F118-P154 HydrophobicContact CZ-CB 3.84Å |
| 119 | E | 93.8 | Very high | 92.8 | Very high | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -53.2 | -42.7 | -169.3 | -176.8 | 173.1 | -163.2 | 0 | 0 | 113.1 | M115 L116 H121 Y122 | M115-E119 PolarHBondContact O-N 3.3Å; M115-E119 VanDerWaalsContact O-N 3.14Å; L116-E119 VanDerWaalsContact O-CB 3.25Å; L116-E119 WeakPolarHBondContact O-CB 3.14Å; L116-E119 PolarHBondContact O-N 3.38Å; L116-E119 VanDerWaalsContact O-N 3.15Å; E119-H121 PolarHBondContact O-N 3.14Å; E119-H121 VanDerWaalsContact O-N 3.17Å; E119-Y122 PolarHBondContact O-N 3.44Å |
| 120 | C | 94.4 | Very high | 93.6 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.3 | -11.4 | -178.4 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | F118 C157 | F118-C120 VanDerWaalsContact C-N 3.28Å; F118-C120 PolarHBondContact O-N 2.91Å; F118-C120 VanDerWaalsContact O-N 3.12Å; C120-C157 HydrophobicContact CB-CB 3.88Å; C120-C157 WeakPolarHBondContact CB-SG 3.38Å; C120-C157 VanDerWaalsContact SG-CA 3.59Å; C120-C157 WeakPolarHBondContact SG-CB 3.28Å; C120-C157 CovalentContact SG-SG 2.04Å; C120-C157 PolarHBondContact SG-SG 3.43Å |
| 121 | H | 94.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.028 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -100.1 | -13.5 | -177.3 | -63.3 | -61.3 | 0 | 0 | 0 | 113.6 | I56 M60 F118 E119 P155 P156 | I56-H121 HydrophobicContact CD1-CB 3.77Å; I56-H121 HydrophobicContact CG1-CB 4.14Å; M60-H121 HydrophobicContact CB-CB 4.14Å; F118-H121 WeakPolarHBondContact O-CB 3.4Å; F118-H121 PolarHBondContact O-N 3.28Å; E119-H121 PolarHBondContact O-N 3.14Å; E119-H121 VanDerWaalsContact O-N 3.17Å; H121-P155 PolarHBondContact CE1-O 2.79Å; H121-P155 PolarHBondContact NE2-O 2.7Å; H121-P156 PolarHBondContact CE1-O 2.79Å |
| 122 | Y | 95.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | trans | -69.4 | 146.2 | 173.6 | -73.1 | -84 | 0 | 0 | 0 | 111.1 | K54 F55 I56 L68 Y72 F118 E119 | K54-Y122 HydrophobicContact CG-CD1 4.31Å; K54-Y122 HydrophobicContact CG-CG 4.48Å; F55-Y122 CarbonylContact O-C 3.55Å; F55-Y122 WeakPolarHBondContact O-CA 3.26Å; I56-Y122 HydrophobicContact CB-CD1 3.96Å; I56-Y122 HydrophobicContact CB-CE1 3.87Å; I56-Y122 HydrophobicContact CB-CG 4.5Å; I56-Y122 HydrophobicContact CG2-CE1 3.98Å; L68-Y122 PolarHBondContact O-OH 3.35Å; Y72-Y122 AromaticContact CD2-CD1 3.56Å; Y72-Y122 HydrophobicContact CD2-CD1 3.56Å; Y72-Y122 AromaticContact CD2-CE1 3.4Å; Y72-Y122 HydrophobicContact CD2-CE1 3.4Å; Y72-Y122 HydrophobicContact CD2-CG 4.3Å; Y72-Y122 AromaticContact CD2-CZ 3.99Å; Y72-Y122 AromaticContact CE2-CD1 3.65Å; Y72-Y122 HydrophobicContact CE2-CD1 3.65Å; Y72-Y122 HydrophobicContact CE2-CD2 4.15Å; Y72-Y122 AromaticContact CE2-CE1 3.62Å; Y72-Y122 HydrophobicContact CE2-CE1 3.62Å; Y72-Y122 HydrophobicContact CE2-CE2 4.09Å; Y72-Y122 AromaticContact CE2-CG 3.93Å; Y72-Y122 HydrophobicContact CE2-CG 3.93Å; Y72-Y122 AromaticContact CE2-CZ 3.82Å; F118-Y122 HydrophobicContact CB-CE2 4.07Å; F118-Y122 WeakPolarHBondContact O-CD2 3.48Å; E119-Y122 PolarHBondContact O-N 3.44Å | ||
| 123 | R | 96.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.7 | 179.5 | -58 | -179.7 | -173.3 | -121.6 | 2.1 | 109.4 | K54 F55 | K54-R123 CarbonylContact C-O 3.58Å; K54-R123 VanDerWaalsContact CA-O 3.27Å; K54-R123 WeakPolarHBondContact CA-O 3Å; F55-R123 HydrophobicContact CD1-CB 4.4Å; F55-R123 WeakPolarHBondContact CD1-O 3.42Å; F55-R123 HydrophobicContact CE1-CB 3.88Å; F55-R123 HydrophobicContact CZ-CB 4.17Å; F55-R123 PolarHBondContact N-O 3.04Å; F55-R123 PolarHBondContact O-N 3.26Å |
| 124 | D | 97.9 | Very high | 95.8 | Very high | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.6 | 168.7 | -63 | -75.7 | 0 | 0 | 0 | 109.6 | K54 | K54-D124 WeakPolarHBondContact CB-OD1 2.91Å |
| 125 | D | 98 | Very high | 96.2 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 174 | 177.2 | -158.9 | -6.8 | 0 | 0 | 0 | 110.4 | I53 F55 W127 | I53-D125 HydrophobicContact CG2-CB 4.5Å; I53-D125 PolarHBondContact N-O 3.23Å; I53-D125 PolarHBondContact O-N 2.96Å; F55-D125 HydrophobicContact CE1-CB 4Å; D125-W127 VanDerWaalsContact CG-NE1 3.29Å; D125-W127 VanDerWaalsContact OD2-CD1 3.31Å; D125-W127 PolarHBondContact OD2-NE1 3.32Å |
| 126 | K | 98.2 | Very high | 96.6 | Very high | 136 Ų | 136 | 58.1 Ų | 58.1 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 114.6 | 171.3 | -59.9 | -176.4 | 179.6 | 179 | 0 | 109.9 | K50 I51 | K50-K126 HydrophobicContact CB-CB 4.09Å; I51-K126 CarbonylContact O-C 3.48Å; I51-K126 WeakPolarHBondContact O-CA 3.37Å |
| 127 | W | 98.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.9 | -173.5 | -69.5 | -9.1 | 0 | 0 | 0 | 112.8 | K50 I51 I53 F55 D125 K131 Y132 F135 | K50-W127 CarbonylContact C-O 3.55Å; K50-W127 WeakPolarHBondContact CA-O 3.45Å; I51-W127 PolarHBondContact N-O 2.84Å; I51-W127 PolarHBondContact O-N 2.01Å; I53-W127 HydrophobicContact CG1-CZ3 4.48Å; I53-W127 HydrophobicContact CG2-CD2 3.67Å; I53-W127 HydrophobicContact CG2-CE3 3.75Å; I53-W127 HydrophobicContact CG2-CG 4.07Å; I53-W127 HydrophobicContact CG2-CH2 4.45Å; I53-W127 HydrophobicContact CG2-CZ2 4.38Å; I53-W127 HydrophobicContact CG2-CZ3 4.12Å; F55-W127 HydrophobicContact CB-CH2 4.43Å; F55-W127 AromaticContact CD1-CH2 3.85Å; F55-W127 HydrophobicContact CD1-CH2 3.85Å; F55-W127 AromaticContact CD1-CZ2 3.63Å; F55-W127 HydrophobicContact CD1-CZ2 3.63Å; F55-W127 AromaticContact CD2-CH2 3.75Å; F55-W127 HydrophobicContact CD2-CH2 3.75Å; F55-W127 AromaticContact CD2-CZ2 3.96Å; F55-W127 HydrophobicContact CD2-CZ2 3.96Å; F55-W127 HydrophobicContact CE1-CH2 4.04Å; F55-W127 AromaticContact CE1-CZ2 3.37Å; F55-W127 HydrophobicContact CE1-CZ2 3.37Å; F55-W127 AromaticContact CE2-CH2 3.93Å; F55-W127 HydrophobicContact CE2-CH2 3.93Å; F55-W127 AromaticContact CE2-CZ2 3.71Å; F55-W127 HydrophobicContact CE2-CZ2 3.71Å; F55-W127 AromaticContact CG-CH2 3.72Å; F55-W127 HydrophobicContact CG-CH2 3.72Å; F55-W127 AromaticContact CG-CZ2 3.94Å; F55-W127 HydrophobicContact CG-CZ2 3.94Å; F55-W127 HydrophobicContact CZ-CH2 4.09Å; F55-W127 AromaticContact CZ-CZ2 3.43Å; F55-W127 HydrophobicContact CZ-CZ2 3.43Å; F55-W127 VanDerWaalsContact CZ-CZ2 3.43Å; D125-W127 VanDerWaalsContact CG-NE1 3.29Å; D125-W127 VanDerWaalsContact OD2-CD1 3.31Å; D125-W127 PolarHBondContact OD2-NE1 3.32Å; W127-K131 HydrophobicContact CB-CB 4.33Å; W127-K131 HydrophobicContact CB-CD 4.16Å; W127-K131 HydrophobicContact CB-CG 4.32Å; W127-K131 HydrophobicContact CD2-CD 3.89Å; W127-K131 HydrophobicContact CD2-CG 4.08Å; W127-K131 VanDerWaalsContact CE2-CE 3.41Å; W127-K131 HydrophobicContact CE3-CG 4.28Å; W127-K131 HydrophobicContact CG-CD 3.68Å; W127-K131 HydrophobicContact CG-CG 4.12Å; W127-Y132 HydrophobicContact CE3-CD2 4.5Å; W127-F135 HydrophobicContact CE3-CB 4.32Å; W127-F135 HydrophobicContact CH2-CD1 4.38Å; W127-F135 HydrophobicContact CH2-CD2 4.07Å; W127-F135 HydrophobicContact CH2-CE2 4.29Å; W127-F135 HydrophobicContact CH2-CG 4.1Å; W127-F135 HydrophobicContact CZ3-CB 3.65Å; W127-F135 AromaticContact CZ3-CD1 3.66Å; W127-F135 HydrophobicContact CZ3-CD1 3.66Å; W127-F135 AromaticContact CZ3-CD2 3.94Å; W127-F135 HydrophobicContact CZ3-CD2 3.94Å; W127-F135 HydrophobicContact CZ3-CE1 4.2Å; W127-F135 HydrophobicContact CZ3-CE2 4.44Å; W127-F135 AromaticContact CZ3-CG 3.49Å; W127-F135 HydrophobicContact CZ3-CG 3.49Å; W127-F135 VanDerWaalsContact CZ3-CG 3.49Å |
| 128 | E | 98.5 | Very high | 97 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 147.1 | 167.3 | -69.9 | 179.4 | 178.9 | 0 | 0 | 110.6 | Y49 K50 G130 K131 Y132 | Y49-E128 WeakPolarHBondContact O-CA 3.47Å; K50-E128 HydrophobicContact CD-CG 3.97Å; K50-E128 IonicContact NZ-OE1 3.72Å; K50-E128 PolarHBondContact NZ-OE1 2.92Å; E128-G130 PolarHBondContact O-N 3.13Å; E128-G130 VanDerWaalsContact O-N 3.08Å; E128-K131 PolarHBondContact O-N 3.49Å; E128-Y132 PolarHBondContact O-N 3.24Å |
| 129 | T | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -42.4 | -48.2 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | I45 P46 Y49 Y132 F133 | I45-T129 HydrophobicContact CB-CG2 3.73Å; I45-T129 HydrophobicContact CG2-CG2 3.82Å; I45-T129 WeakPolarHBondContact CG2-OG1 3.45Å; P46-T129 WeakPolarHBondContact O-CB 3.44Å; P46-T129 PolarHBondContact O-OG1 3.42Å; Y49-T129 PolarHBondContact O-N 3.22Å; T129-Y132 PolarHBondContact O-N 2.63Å; T129-F133 HydrophobicContact CG2-CD2 3.78Å; T129-F133 HydrophobicContact CG2-CE2 4Å; T129-F133 VanDerWaalsContact O-CD2 3.28Å; T129-F133 WeakPolarHBondContact O-CD2 3.08Å; T129-F133 PolarHBondContact O-N 3.36Å |
| 130 | G | 98 | Very high | 97.2 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E128 N134 | E128-G130 PolarHBondContact O-N 3.13Å; E128-G130 VanDerWaalsContact O-N 3.08Å; G130-N134 WeakPolarHBondContact O-CB 3.31Å; G130-N134 PolarHBondContact O-N 3Å; G130-N134 VanDerWaalsContact O-N 3.07Å; G130-N134 PolarHBondContact O-ND2 3.07Å; G130-N134 PolarHBondContact O-OD1 3.3Å |
| 131 | K | 98.1 | Very high | 97.1 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 179.2 | -178.8 | -178.3 | 178.3 | -169.6 | 0 | 111.1 | W127 E128 F135 | W127-K131 HydrophobicContact CB-CB 4.33Å; W127-K131 HydrophobicContact CB-CD 4.16Å; W127-K131 HydrophobicContact CB-CG 4.32Å; W127-K131 HydrophobicContact CD2-CD 3.89Å; W127-K131 HydrophobicContact CD2-CG 4.08Å; W127-K131 VanDerWaalsContact CE2-CE 3.41Å; W127-K131 HydrophobicContact CE3-CG 4.28Å; W127-K131 HydrophobicContact CG-CD 3.68Å; W127-K131 HydrophobicContact CG-CG 4.12Å; E128-K131 PolarHBondContact O-N 3.49Å; K131-F135 PolarHBondContact O-N 3.02Å; K131-F135 VanDerWaalsContact O-N 3.13Å |
| 132 | Y | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 179.2 | 179.7 | -93 | 0 | 0 | 0 | 112.3 | I51 I53 L73 S76 L77 L80 W127 E128 T129 N134 F135 V136 | I51-Y132 HydrophobicContact CB-CD2 3.87Å; I51-Y132 HydrophobicContact CB-CE2 4.23Å; I51-Y132 HydrophobicContact CB-CG 4.01Å; I51-Y132 HydrophobicContact CD1-CD1 3.5Å; I51-Y132 VanDerWaalsContact CD1-CD1 3.5Å; I51-Y132 HydrophobicContact CD1-CD2 4.37Å; I51-Y132 HydrophobicContact CD1-CE1 4.09Å; I51-Y132 HydrophobicContact CD1-CG 3.65Å; I51-Y132 HydrophobicContact CG1-CG 4.4Å; I51-Y132 HydrophobicContact CG2-CD1 4.26Å; I51-Y132 HydrophobicContact CG2-CD2 3.64Å; I51-Y132 HydrophobicContact CG2-CE1 4.11Å; I51-Y132 HydrophobicContact CG2-CE2 3.46Å; I51-Y132 VanDerWaalsContact CG2-CE2 3.46Å; I51-Y132 HydrophobicContact CG2-CG 4.03Å; I53-Y132 HydrophobicContact CB-CD2 4.41Å; I53-Y132 HydrophobicContact CB-CE2 4.24Å; I53-Y132 HydrophobicContact CD1-CE2 4.18Å; I53-Y132 HydrophobicContact CG1-CE2 4.43Å; L73-Y132 HydrophobicContact CD1-CE2 4.47Å; S76-Y132 WeakPolarHBondContact CB-OH 3.48Å; S76-Y132 WeakPolarHBondContact OG-CE2 3.26Å; S76-Y132 PolarHBondContact OG-OH 3.12Å; L77-Y132 HydrophobicContact CD2-CE1 3.96Å; L77-Y132 WeakPolarHBondContact CD2-OH 3.14Å; L77-Y132 WeakPolarHBondContact CG-OH 3.43Å; L77-Y132 PolarHBondContact N-OH 3.42Å; L80-Y132 HydrophobicContact CD2-CE1 4.22Å; W127-Y132 HydrophobicContact CE3-CD2 4.5Å; E128-Y132 PolarHBondContact O-N 3.24Å; T129-Y132 PolarHBondContact O-N 2.63Å; Y132-N134 PolarHBondContact O-N 2.99Å; Y132-F135 WeakPolarHBondContact O-CB 3.38Å; Y132-F135 PolarHBondContact O-N 3.13Å; Y132-F135 VanDerWaalsContact O-N 3.11Å; Y132-V136 HydrophobicContact CD1-CG2 3.92Å; Y132-V136 HydrophobicContact CE1-CG2 3.56Å; Y132-V136 WeakPolarHBondContact O-CG2 3.17Å; Y132-V136 PolarHBondContact O-N 3.34Å |
| 133 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.6 | -25.8 | -176.5 | -80.2 | -64.5 | 0 | 0 | 0 | 113.7 | V38 L41 R42 I45 I51 L77 L80 T129 F135 V136 E137 | V38-F133 HydrophobicContact CG1-CB 4.03Å; L41-F133 HydrophobicContact CB-CD1 4.32Å; L41-F133 HydrophobicContact CB-CD2 4.49Å; L41-F133 HydrophobicContact CB-CE1 3.86Å; L41-F133 HydrophobicContact CB-CE2 4.07Å; L41-F133 HydrophobicContact CB-CZ 3.72Å; L41-F133 HydrophobicContact CD1-CD1 4.38Å; L41-F133 HydrophobicContact CD1-CE1 3.59Å; L41-F133 HydrophobicContact CD1-CZ 3.99Å; L41-F133 HydrophobicContact CG-CE1 4.32Å; L41-F133 HydrophobicContact CG-CZ 4.34Å; R42-F133 HydrophobicContact CG-CB 3.41Å; R42-F133 VanDerWaalsContact CG-CB 3.41Å; R42-F133 HydrophobicContact CG-CD2 3.98Å; R42-F133 HydrophobicContact CG-CG 3.92Å; I45-F133 HydrophobicContact CD1-CE2 3.66Å; I45-F133 HydrophobicContact CD1-CZ 3.82Å; I51-F133 HydrophobicContact CD1-CE2 4Å; L77-F133 HydrophobicContact CD2-CE1 4.43Å; L80-F133 HydrophobicContact CD2-CE2 4.39Å; L80-F133 HydrophobicContact CD2-CZ 3.75Å; T129-F133 HydrophobicContact CG2-CD2 3.78Å; T129-F133 HydrophobicContact CG2-CE2 4Å; T129-F133 VanDerWaalsContact O-CD2 3.28Å; T129-F133 WeakPolarHBondContact O-CD2 3.08Å; T129-F133 PolarHBondContact O-N 3.36Å; F133-F135 VanDerWaalsContact C-N 3.29Å; F133-V136 HydrophobicContact CD1-CB 4.35Å; F133-V136 HydrophobicContact CD1-CG2 4.08Å; F133-V136 PolarHBondContact O-N 3.06Å; F133-E137 WeakPolarHBondContact O-CB 3.32Å; F133-E137 PolarHBondContact O-N 3.48Å |
| 134 | N | 97.7 | Very high | 96 | Very high | 75 Ų | 75 | 46 Ų | 46 | 40% | 0.401 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -39.4 | 167.2 | -70.1 | -3.1 | 0 | 0 | 0 | 111 | R42 G130 Y132 E138 | R42-N134 PolarHBondContact NH1-OD1 3.07Å; G130-N134 WeakPolarHBondContact O-CB 3.31Å; G130-N134 PolarHBondContact O-N 3Å; G130-N134 VanDerWaalsContact O-N 3.07Å; G130-N134 PolarHBondContact O-ND2 3.07Å; G130-N134 PolarHBondContact O-OD1 3.3Å; Y132-N134 PolarHBondContact O-N 2.99Å; N134-E138 WeakPolarHBondContact O-CB 3Å; N134-E138 PolarHBondContact O-N 3.06Å |
| 135 | F | 97.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 175.2 | 178 | -102.8 | 0 | 0 | 0 | 112.3 | F55 W65 N69 L73 W127 K131 Y132 F133 E137 E138 V139 | F55-F135 HydrophobicContact CB-CE1 4.29Å; F55-F135 HydrophobicContact CB-CZ 3.89Å; W65-F135 HydrophobicContact CE3-CE2 4.32Å; W65-F135 HydrophobicContact CZ3-CD2 4.23Å; W65-F135 AromaticContact CZ3-CE2 3.68Å; W65-F135 HydrophobicContact CZ3-CE2 3.68Å; W65-F135 HydrophobicContact CZ3-CZ 4.41Å; N69-F135 HydrophobicContact CB-CE1 4.45Å; N69-F135 HydrophobicContact CB-CZ 3.95Å; L73-F135 HydrophobicContact CD1-CD1 4.11Å; L73-F135 HydrophobicContact CD1-CE1 4.18Å; W127-F135 HydrophobicContact CE3-CB 4.32Å; W127-F135 HydrophobicContact CH2-CD1 4.38Å; W127-F135 HydrophobicContact CH2-CD2 4.07Å; W127-F135 HydrophobicContact CH2-CE2 4.29Å; W127-F135 HydrophobicContact CH2-CG 4.1Å; W127-F135 HydrophobicContact CZ3-CB 3.65Å; W127-F135 AromaticContact CZ3-CD1 3.66Å; W127-F135 HydrophobicContact CZ3-CD1 3.66Å; W127-F135 AromaticContact CZ3-CD2 3.94Å; W127-F135 HydrophobicContact CZ3-CD2 3.94Å; W127-F135 HydrophobicContact CZ3-CE1 4.2Å; W127-F135 HydrophobicContact CZ3-CE2 4.44Å; W127-F135 AromaticContact CZ3-CG 3.49Å; W127-F135 HydrophobicContact CZ3-CG 3.49Å; W127-F135 VanDerWaalsContact CZ3-CG 3.49Å; K131-F135 PolarHBondContact O-N 3.02Å; K131-F135 VanDerWaalsContact O-N 3.13Å; Y132-F135 WeakPolarHBondContact O-CB 3.38Å; Y132-F135 PolarHBondContact O-N 3.13Å; Y132-F135 VanDerWaalsContact O-N 3.11Å; F133-F135 VanDerWaalsContact C-N 3.29Å; F135-E137 PolarHBondContact O-N 3Å; F135-E138 PolarHBondContact O-N 3.15Å; F135-V139 HydrophobicContact CD1-CG2 4.07Å; F135-V139 HydrophobicContact CD2-CG2 4.09Å; F135-V139 HydrophobicContact CE1-CG2 3.73Å; F135-V139 HydrophobicContact CE2-CG2 3.75Å; F135-V139 HydrophobicContact CG-CG2 4.26Å; F135-V139 HydrophobicContact CZ-CG2 3.56Å; F135-V139 WeakPolarHBondContact O-CB 3.46Å; F135-V139 WeakPolarHBondContact O-CG2 3.49Å; F135-V139 PolarHBondContact O-N 3.38Å |
| 136 | V | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -51.4 | 173.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | V38 L73 L77 L97 Y132 F133 E138 C140 | V38-V136 HydrophobicContact CG2-CG1 4.18Å; L73-V136 HydrophobicContact CD1-CG2 3.72Å; L73-V136 HydrophobicContact CD2-CG2 4.46Å; L73-V136 HydrophobicContact CG-CG2 4.47Å; L77-V136 HydrophobicContact CD2-CG2 4.46Å; L97-V136 HydrophobicContact CD1-CG1 4.2Å; Y132-V136 HydrophobicContact CD1-CG2 3.92Å; Y132-V136 HydrophobicContact CE1-CG2 3.56Å; Y132-V136 WeakPolarHBondContact O-CG2 3.17Å; Y132-V136 PolarHBondContact O-N 3.34Å; F133-V136 HydrophobicContact CD1-CB 4.35Å; F133-V136 HydrophobicContact CD1-CG2 4.08Å; F133-V136 PolarHBondContact O-N 3.06Å; V136-E138 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.97Å; V136-C140 VanDerWaalsContact O-CB 3.27Å; V136-C140 WeakPolarHBondContact O-CB 3.5Å; V136-C140 PolarHBondContact O-N 3.04Å; V136-C140 PolarHBondContact O-SG 3.26Å |
| 137 | E | 97 | Very high | 92.6 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.5 | -46 | 178.6 | 179.8 | 175 | -150.7 | 0 | 0 | 111.4 | I34 V38 F133 F135 N141 | I34-E137 HydrophobicContact CG2-CB 4.28Å; I34-E137 HydrophobicContact CG2-CG 4.12Å; V38-E137 HydrophobicContact CG1-CB 4.24Å; V38-E137 HydrophobicContact CG2-CB 4.43Å; F133-E137 WeakPolarHBondContact O-CB 3.32Å; F133-E137 PolarHBondContact O-N 3.48Å; F135-E137 PolarHBondContact O-N 3Å; E137-N141 WeakPolarHBondContact O-CB 3.19Å; E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 2.95Å; E137-N141 PolarHBondContact O-ND2 3.35Å |
| 138 | E | 96 | Very high | 90.9 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -46.9 | -177.8 | -164.5 | 176.8 | -161.1 | 0 | 0 | 113.1 | K58 W65 N134 F135 V136 C140 T142 | K58-E138 WeakPolarHBondContact CE-OE1 3.28Å; K58-E138 VanDerWaalsContact CE-OE2 3.27Å; K58-E138 WeakPolarHBondContact CE-OE2 3.48Å; K58-E138 IonicContact NZ-OE1 2.87Å; K58-E138 PolarHBondContact NZ-OE1 3Å; K58-E138 IonicContact NZ-OE2 2.77Å; K58-E138 PolarHBondContact NZ-OE2 2.87Å; W65-E138 HydrophobicContact CH2-CB 4.16Å; W65-E138 HydrophobicContact CH2-CG 3.71Å; W65-E138 HydrophobicContact CZ2-CG 3.99Å; N134-E138 WeakPolarHBondContact O-CB 3Å; N134-E138 PolarHBondContact O-N 3.06Å; F135-E138 PolarHBondContact O-N 3.15Å; V136-E138 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.97Å; E138-C140 PolarHBondContact O-N 3.19Å; E138-T142 VanDerWaalsContact O-CB 3.29Å; E138-T142 WeakPolarHBondContact O-CB 2.96Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3.35Å |
| 139 | V | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 109.8 | W65 N69 L70 L73 F135 N141 T142 A143 | W65-V139 HydrophobicContact CE3-CG2 4.33Å; W65-V139 HydrophobicContact CH2-CG2 3.87Å; W65-V139 HydrophobicContact CZ3-CG2 3.42Å; W65-V139 VanDerWaalsContact CZ3-CG2 3.42Å; N69-V139 HydrophobicContact CB-CG1 4.29Å; N69-V139 HydrophobicContact CB-CG2 4.04Å; L70-V139 HydrophobicContact CD2-CG1 3.95Å; L70-V139 HydrophobicContact CG-CG1 4.48Å; L73-V139 HydrophobicContact CD2-CB 3.88Å; L73-V139 HydrophobicContact CD2-CG1 3.73Å; L73-V139 HydrophobicContact CD2-CG2 4.37Å; F135-V139 HydrophobicContact CD1-CG2 4.07Å; F135-V139 HydrophobicContact CD2-CG2 4.09Å; F135-V139 HydrophobicContact CE1-CG2 3.73Å; F135-V139 HydrophobicContact CE2-CG2 3.75Å; F135-V139 HydrophobicContact CG-CG2 4.26Å; F135-V139 HydrophobicContact CZ-CG2 3.56Å; F135-V139 WeakPolarHBondContact O-CB 3.46Å; F135-V139 WeakPolarHBondContact O-CG2 3.49Å; F135-V139 PolarHBondContact O-N 3.38Å; V139-N141 PolarHBondContact O-N 3.3Å; V139-T142 PolarHBondContact O-N 3.19Å; V139-A143 VanDerWaalsContact O-CB 3.25Å; V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 3.31Å |
| 140 | C | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | -175.1 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | I34 F100 V136 E138 D144 | I34-C140 HydrophobicContact CD1-CB 3.29Å; I34-C140 HydrophobicContact CG1-CB 4.19Å; F100-C140 HydrophobicContact CD1-CB 4.11Å; F100-C140 HydrophobicContact CE1-CB 3.6Å; F100-C140 HydrophobicContact CZ-CB 4.49Å; V136-C140 VanDerWaalsContact O-CB 3.27Å; V136-C140 WeakPolarHBondContact O-CB 3.5Å; V136-C140 PolarHBondContact O-N 3.04Å; V136-C140 PolarHBondContact O-SG 3.26Å; E138-C140 PolarHBondContact O-N 3.19Å; C140-D144 WeakPolarHBondContact O-CB 3.43Å; C140-D144 PolarHBondContact O-N 2.98Å |
| 141 | N | 92.8 | Very high | 86.5 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.9 | -33.3 | 176.3 | -78.2 | -29 | 0 | 0 | 0 | 113.1 | E137 V139 R145 | E137-N141 WeakPolarHBondContact O-CB 3.19Å; E137-N141 VanDerWaalsContact O-CG 3.26Å; E137-N141 PolarHBondContact O-N 2.95Å; E137-N141 PolarHBondContact O-ND2 3.35Å; V139-N141 PolarHBondContact O-N 3.3Å; N141-R145 WeakPolarHBondContact O-CG 2.88Å |
| 142 | T | 92.2 | Very high | 85.7 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.4 | -47.6 | 177.9 | -51 | 0 | 0 | 0 | 0 | 110.2 | W65 A66 E138 V139 D144 R145 E146 | W65-T142 HydrophobicContact CZ2-CG2 4.35Å; A66-T142 HydrophobicContact CB-CG2 3.8Å; E138-T142 VanDerWaalsContact O-CB 3.29Å; E138-T142 WeakPolarHBondContact O-CB 2.96Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3.35Å; V139-T142 PolarHBondContact O-N 3.19Å; T142-D144 PolarHBondContact O-N 3.36Å; T142-R145 PolarHBondContact O-N 3.47Å; T142-E146 HydrophobicContact CG2-CG 4.35Å; T142-E146 WeakPolarHBondContact CG2-OE1 3.36Å; T142-E146 PolarHBondContact O-N 3.34Å |
| 143 | A | 87.9 | Confident | 85 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -21.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A66 L70 V139 R145 | A66-A143 HydrophobicContact CB-CB 4.45Å; L70-A143 HydrophobicContact CD1-CB 4.13Å; L70-A143 HydrophobicContact CD2-CB 3.96Å; L70-A143 HydrophobicContact CG-CB 4.34Å; V139-A143 VanDerWaalsContact O-CB 3.25Å; V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 3.31Å; A143-R145 PolarHBondContact O-N 3.45Å |
| 144 | D | 84 | Confident | 84.4 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -25.4 | 171.6 | -161.8 | 37.1 | 0 | 0 | 0 | 112.5 | N32 F100 K104 C140 T142 | N32-D144 PolarHBondContact ND2-OD2 3.3Å; F100-D144 HydrophobicContact CZ-CB 4.15Å; K104-D144 WeakPolarHBondContact CE-OD1 3.31Å; K104-D144 IonicContact NZ-OD1 3.23Å; K104-D144 PolarHBondContact NZ-OD1 3.15Å; C140-D144 WeakPolarHBondContact O-CB 3.43Å; C140-D144 PolarHBondContact O-N 2.98Å; T142-D144 PolarHBondContact O-N 3.36Å |
| 145 | R | 82.5 | Confident | 84 | Confident | 207 Ų | 207 | 70.4 Ų | 70.4 | 78% | 0.781 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -29.6 | -174.1 | -61.6 | 172.7 | -173.5 | -178.7 | 3.4 | 113.4 | N141 T142 A143 | N141-R145 WeakPolarHBondContact O-CG 2.88Å; T142-R145 PolarHBondContact O-N 3.47Å; A143-R145 PolarHBondContact O-N 3.45Å |
| 146 | E | 73.2 | Confident | 83.6 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -64.1 | 143.3 | -179.5 | -79.2 | 172.2 | -167 | 0 | 0 | 112.2 | M63 T142 | M63-E146 VanDerWaalsContact O-OE1 3.05Å; T142-E146 HydrophobicContact CG2-CG 4.35Å; T142-E146 WeakPolarHBondContact CG2-OE1 3.36Å; T142-E146 PolarHBondContact O-N 3.34Å |
| 147 | R | 67.6 | Low | 83.2 | Confident | 190 Ų | 190 | 78.6 Ų | 78.6 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | trans | -80.1 | 142.6 | 173.7 | -68.7 | -167.6 | -178.2 | 104 | -1.4 | 109.7 | E149 | R147-E149 PolarHBondContact O-N 2.92Å; R147-E149 VanDerWaalsContact O-N 3.15Å | ||
| 148 | P | 62.2 | Low | 82.6 | Confident | 67 Ų | 67 | 79.7 Ų | 79.7 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.9 | -177 | -22.8 | 32.4 | 0 | 0 | 0 | 114.9 | K67 | K67-P148 PolarHBondContact NZ-O 3.1Š|
| 149 | E | 62.5 | Low | 81.8 | Confident | 183 Ų | 183 | 82.2 Ų | 82.2 | 86% | 0.855 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6.9 | -166.1 | -56.6 | -171.8 | -158 | 0 | 0 | 114.7 | R147 E151 | R147-E149 PolarHBondContact O-N 2.92Å; R147-E149 VanDerWaalsContact O-N 3.15Å; E149-E151 PolarHBondContact O-N 3.38Å |
| 150 | E | 67 | Low | 80.5 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 33% | 0.327 | 46% | 0.462 | S | S | . | . | trans | -71.8 | 120.3 | 175.9 | -69.7 | 175.5 | -161 | 0 | 0 | 110 | ||||
| 151 | E | 72.6 | Confident | 78.5 | Confident | 176 Ų | 176 | 93.2 Ų | 93.2 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | trans | -77.9 | 136.9 | 176.8 | -169.5 | 162.1 | -151.5 | 0 | 0 | 109.4 | E149 | E149-E151 PolarHBondContact O-N 3.38Š| ||
| 152 | C | 81.1 | Confident | 76.5 | Confident | 7 Ų | 7 | 98.6 Ų | 98.6 | 5% | 0.047 | 53% | 0.525 | C | S | . | . | trans | -120.3 | 112.7 | -169.5 | -50.3 | 0 | 0 | 0 | 0 | 108.8 | C64 F118 | C64-C152 HydrophobicContact CB-CB 3.63Å; C64-C152 WeakPolarHBondContact CB-SG 3.17Å; C64-C152 WeakPolarHBondContact SG-CB 3.39Å; C64-C152 CovalentContact SG-SG 2.01Å; C64-C152 PolarHBondContact SG-SG 3.28Å; F118-C152 HydrophobicContact CE2-CB 3.93Å; F118-C152 HydrophobicContact CZ-CB 4.03Å | ||
| 153 | D | 84.3 | Confident | 74.4 | Confident | 139 Ų | 139 | 102.3 Ų | 102.3 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -96.1 | 125.2 | 175.5 | -70.4 | -41.3 | 0 | 0 | 0 | 110.3 | ||
| 154 | P | 85.4 | Confident | 72.3 | Confident | 52 Ų | 52 | 107.6 Ų | 107.6 | 34% | 0.338 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 140.1 | -179.7 | 29.6 | -35.5 | 0 | 0 | 0 | 111.7 | E117 F118 | E117-P154 HydrophobicContact CB-CG 4.26Å; F118-P154 HydrophobicContact CD1-CB 3.99Å; F118-P154 HydrophobicContact CD2-CB 3.96Å; F118-P154 HydrophobicContact CE1-CB 3.9Å; F118-P154 HydrophobicContact CE2-CB 3.85Å; F118-P154 HydrophobicContact CE2-CG 4.4Å; F118-P154 HydrophobicContact CG-CB 4.07Å; F118-P154 VanDerWaalsContact CZ-CA 3.41Å; F118-P154 HydrophobicContact CZ-CB 3.84Å |
| 155 | P | 89.4 | Confident | 70.4 | Confident | 44 Ų | 44 | 114 Ų | 114 | 29% | 0.286 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 164.1 | 168.7 | 27.7 | -31.4 | 0 | 0 | 0 | 110.8 | M60 H121 C157 | M60-P155 WeakPolarHBondContact O-CD 3Å; M60-P155 WeakPolarHBondContact O-CG 3.43Å; M60-P155 HydrophobicContact SD-CG 4.27Å; H121-P155 PolarHBondContact CE1-O 2.79Å; H121-P155 PolarHBondContact NE2-O 2.7Å; P155-C157 PolarHBondContact O-N 3.11Å |
| 156 | P | 90.6 | Very high | 68.5 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 79% | 0.792 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.7 | 175.4 | -22.3 | 32.6 | 0 | 0 | 0 | 112 | H121 | H121-P156 PolarHBondContact CE1-O 2.79Š|
| 157 | C | 90.1 | Very high | 66.7 | Low | 70 Ų | 70 | 116.1 Ų | 116.1 | 47% | 0.473 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -58 | 143.8 | 177.8 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | C120 P155 T159 | C120-C157 HydrophobicContact CB-CB 3.88Å; C120-C157 WeakPolarHBondContact CB-SG 3.38Å; C120-C157 VanDerWaalsContact SG-CA 3.59Å; C120-C157 WeakPolarHBondContact SG-CB 3.28Å; C120-C157 CovalentContact SG-SG 2.04Å; C120-C157 PolarHBondContact SG-SG 3.43Å; P155-C157 PolarHBondContact O-N 3.11Å; C157-T159 PolarHBondContact O-N 3.35Å; C157-T159 VanDerWaalsContact O-N 3.13Å |
| 158 | P | 84 | Confident | 65.1 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 120.4 | 176.5 | -22.4 | 32 | 0 | 0 | 0 | 111 | T160 | P158-T160 PolarHBondContact O-N 2.74Š|
| 159 | T | 78.9 | Confident | 63.8 | Low | 133 Ų | 133 | 114.5 Ų | 114.5 | 82% | 0.816 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 116.3 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 108.3 | C157 P161 | C157-T159 PolarHBondContact O-N 3.35Å; C157-T159 VanDerWaalsContact O-N 3.13Å; T159-P161 WeakPolarHBondContact O-CD 3.31Å |
| 160 | T | 68.1 | Low | 62.4 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.9 | 171.3 | -58.5 | 0 | 0 | 0 | 0 | 108.1 | P158 I162 | P158-T160 PolarHBondContact O-N 2.74Å; T160-I162 PolarHBondContact O-N 3.25Å |
| 161 | P | 51.4 | Low | 60.7 | Low | 114 Ų | 114 | 114.9 Ų | 114.9 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.2 | 174.7 | 23.5 | -29.5 | 0 | 0 | 0 | 109.4 | T159 | T159-P161 WeakPolarHBondContact O-CD 3.31Š|
| 162 | I | 50.7 | Low | 58.7 | Low | 149 Ų | 149 | 117.6 Ų | 117.6 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.1 | 171.7 | -62.5 | 172.7 | 0 | 0 | 0 | 107.5 | T160 T164 | T160-I162 PolarHBondContact O-N 3.25Å; I162-T164 PolarHBondContact O-N 2.85Å; I162-T164 VanDerWaalsContact O-N 3.16Å |
| 163 | P | 48.7 | Very low | 56.2 | Low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.6 | 170.1 | -15.3 | 28.9 | 0 | 0 | 0 | 108.9 | E165 | P163-E165 PolarHBondContact O-N 2.91Š|
| 164 | T | 44.6 | Very low | 53.7 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | trans | -77.5 | 108.4 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 108.2 | I162 E166 | I162-T164 PolarHBondContact O-N 2.85Å; I162-T164 VanDerWaalsContact O-N 3.16Å; T164-E166 HydrophobicContact CG2-CG 4.33Å | ||
| 165 | E | 43.8 | Very low | 51.1 | Low | 194 Ų | 194 | 124 Ų | 124 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | -87 | 119.9 | 158.7 | -73.5 | -167.2 | 169.6 | 0 | 0 | 108.6 | P163 | P163-E165 PolarHBondContact O-N 2.91Š| ||
| 166 | E | 42.8 | Very low | 48.4 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 151.5 | 176.2 | -70.6 | -179.4 | 148.2 | 0 | 0 | 112.3 | T164 | T164-E166 HydrophobicContact CG2-CG 4.33Š| ||
| 167 | S | 35.3 | Very low | 45.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 79.4 | 135.5 | 164.7 | -60.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 168 | S | 33.7 | Very low | 42.5 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | cis | -158.9 | 161.9 | 23.3 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 169 | S | 35.6 | Very low | 40 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -59 | 142.2 | -176.1 | 178.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 170 | A | 31.8 | Very low | 38.1 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -155.5 | 121.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 171 | Q | 31.3 | Very low | 36.3 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 138.3 | 173.6 | -70.1 | 169.6 | -45.6 | 0 | 0 | 111.4 | ||||
| 172 | Y | 30.8 | Very low | 35.8 | Very low | 233 Ų | 233 | 137.9 Ų | 137.9 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -145.7 | 138.2 | 141.9 | -77.9 | -74.9 | 0 | 0 | 0 | 110.3 | ||||
| 173 | T | 29.4 | Very low | 34.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -92 | 150.7 | -168.7 | -27 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 174 | S | 30.6 | Very low | 34 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 109.1 | 119 | 149 | -158 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 175 | G | 30.5 | Very low | 33.4 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 114.6 | 89.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 176 | Q | 32.8 | Very low | 32.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 40.6 | 116.8 | 144.9 | -78.6 | 174 | -64 | 0 | 0 | 122.5 | ||||
| 177 | D | 28.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 42.9 | 119.3 | 125.5 | -59.2 | -29 | 0 | 0 | 0 | 121.4 | |||||
| 178 | T | 28.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | 127.2 | 100.2 | 127.4 | -40.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 179 | S | 31.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 58.2 | 145.4 | 137.2 | 93.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 180 | L | 38 | Very low | 31.7 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 77.1 | 118.4 | 177 | -76.6 | 78.5 | 0 | 0 | 0 | 113.4 | ||||
| 181 | S | 30.6 | Very low | 31.8 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | -174 | 153 | 70.2 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 182 | I | 40.8 | Very low | 31.6 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -45.9 | 143.5 | 170.6 | -64.7 | 152.7 | 0 | 0 | 0 | 113.5 | ||||
| 183 | S | 27.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -139.7 | 114 | 149.2 | -158.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 184 | T | 34.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -58.8 | 139.6 | 174.1 | -31.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 185 | K | 31.3 | Very low | 32.5 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -140.8 | 101.2 | 150.3 | -138.5 | 175.3 | -174 | 178.4 | 0 | 110.4 | ||||
| 186 | E | 33.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -63.1 | 135.6 | 164.5 | -70 | -158.5 | 149.3 | 0 | 0 | 110.6 | ||||
| 187 | I | 33.7 | Very low | 33.6 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -132.2 | 110.3 | 143.4 | -62.3 | -177.6 | 0 | 0 | 0 | 107 | ||||
| 188 | A | 33.1 | Very low | 34.5 | Very low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -67.4 | 131.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 189 | R | 25.9 | Very low | 35.4 | Very low | 235 Ų | 235 | 131.1 Ų | 131.1 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | -158.2 | 137 | 128.8 | -159.9 | 161.3 | -90.4 | 114.5 | -5.5 | 110.9 | |||||
| 190 | S | 31.2 | Very low | 36.1 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -70.5 | 163.4 | -165.5 | 49.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 191 | S | 32.6 | Very low | 36.8 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 103.7 | 73.9 | 145.6 | -45.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 192 | A | 28.5 | Very low | 37.9 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | trans | -120.9 | 103.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S194 | A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 3.12Å; A192-S194 VanDerWaalsContact O-N 3.08Å | ||
| 193 | S | 34.2 | Very low | 38.5 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -73.6 | 89.9 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 194 | S | 37.1 | Very low | 39.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 128.4 | 164.4 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | A192 S196 | A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 3.12Å; A192-S194 VanDerWaalsContact O-N 3.08Å; S194-S196 PolarHBondContact O-N 3.4Å |
| 195 | P | 37.4 | Very low | 40.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123.8 | 171.8 | 27.2 | -30.2 | 0 | 0 | 0 | 109.1 | ||
| 196 | S | 39.6 | Very low | 42.1 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 52% | 0.517 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 138 | -175.7 | 35.7 | 0 | 0 | 0 | 0 | 112.1 | S194 L198 R199 | S194-S196 PolarHBondContact O-N 3.4Å; S196-L198 PolarHBondContact O-N 2.88Å; S196-R199 PolarHBondContact O-N 3.49Å |
| 197 | P | 47.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 119 Ų | 119 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -7.7 | 178.8 | 26.2 | -34.2 | 0 | 0 | 0 | 113.5 | ||
| 198 | L | 46.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.9 | -27.2 | 179 | -62.1 | -177.6 | 0 | 0 | 0 | 112.9 | S196 Q200 V201 V202 | S196-L198 PolarHBondContact O-N 2.88Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.49Å; L198-V201 PolarHBondContact O-N 3.29Å; L198-V202 VanDerWaalsContact O-CG2 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.2Å; L198-V202 PolarHBondContact O-N 3.05Å; L198-V202 VanDerWaalsContact O-N 3.12Å |
| 199 | R | 47.2 | Very low | 45.8 | Very low | 190 Ų | 190 | 115.9 Ų | 115.9 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.9 | -34.9 | -176.6 | -147.1 | 179.4 | -178.2 | -145.5 | -1.9 | 112.1 | S196 V202 E203 | S196-R199 PolarHBondContact O-N 3.49Å; R199-V202 PolarHBondContact O-N 3.4Å; R199-E203 PolarHBondContact O-N 2.89Å; R199-E203 VanDerWaalsContact O-N 3.16Å |
| 200 | Q | 47.9 | Very low | 47.8 | Very low | 135 Ų | 135 | 109.8 Ų | 109.8 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.1 | -30.9 | -179.4 | -145.6 | 176.9 | 34.1 | 0 | 0 | 112.7 | L198 K204 | L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.49Å; Q200-K204 PolarHBondContact O-N 2.92Å |
| 201 | V | 51.9 | Low | 49.8 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.2 | -36.2 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | L198 S205 | L198-V201 PolarHBondContact O-N 3.29Å; V201-S205 WeakPolarHBondContact O-CB 3.27Å; V201-S205 PolarHBondContact O-N 2.89Å |
| 202 | V | 53.9 | Low | 51.8 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.6 | -40.8 | 177 | 173 | 0 | 0 | 0 | 0 | 111.6 | L198 R199 S205 L206 | L198-V202 VanDerWaalsContact O-CG2 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.2Å; L198-V202 PolarHBondContact O-N 3.05Å; L198-V202 VanDerWaalsContact O-N 3.12Å; R199-V202 PolarHBondContact O-N 3.4Å; V202-S205 PolarHBondContact O-N 3.27Å; V202-L206 HydrophobicContact CG1-CD1 3.94Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CB 3.37Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.49Å |
| 203 | E | 53.1 | Low | 54.1 | Low | 102 Ų | 102 | 109.8 Ų | 109.8 | 48% | 0.477 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.3 | -43.3 | 177.7 | -76.2 | 178.1 | 176.5 | 0 | 0 | 112.3 | R199 S205 L206 F207 | R199-E203 PolarHBondContact O-N 2.89Å; R199-E203 VanDerWaalsContact O-N 3.16Å; E203-S205 VanDerWaalsContact C-N 3.32Å; E203-S205 PolarHBondContact O-N 3.3Å; E203-L206 PolarHBondContact O-N 3.32Å; E203-F207 WeakPolarHBondContact O-CD2 3.29Å; E203-F207 PolarHBondContact O-N 2.99Å |
| 204 | K | 53.8 | Low | 56.1 | Low | 151 Ų | 151 | 108.6 Ų | 108.6 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -33.2 | 174.6 | -69.5 | -179.3 | 177.6 | 176.8 | 0 | 112.5 | Q200 S208 | Q200-K204 PolarHBondContact O-N 2.92Å; K204-S208 PolarHBondContact O-N 2.92Å |
| 205 | S | 57.7 | Low | 58.2 | Low | 63 Ų | 63 | 108.5 Ų | 108.5 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.1 | -40.5 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | V201 V202 E203 S208 L209 | V201-S205 WeakPolarHBondContact O-CB 3.27Å; V201-S205 PolarHBondContact O-N 2.89Å; V202-S205 PolarHBondContact O-N 3.27Å; E203-S205 VanDerWaalsContact C-N 3.32Å; E203-S205 PolarHBondContact O-N 3.3Å; S205-S208 PolarHBondContact O-N 3.43Å; S205-L209 WeakPolarHBondContact O-CB 3.4Å; S205-L209 PolarHBondContact O-N 3.35Å |
| 206 | L | 57.3 | Low | 60.3 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -41 | 179.3 | -78.6 | 167.4 | 0 | 0 | 0 | 112.9 | V202 E203 L209 L210 | V202-L206 HydrophobicContact CG1-CD1 3.94Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CB 3.37Å; V202-L206 VanDerWaalsContact O-CG 3.32Å; V202-L206 WeakPolarHBondContact O-CG 3.47Å; V202-L206 PolarHBondContact O-N 3.49Å; E203-L206 PolarHBondContact O-N 3.32Å; L206-L209 PolarHBondContact O-N 2.82Å; L206-L210 WeakPolarHBondContact O-CG 3.28Å; L206-L210 PolarHBondContact O-N 2.82Å; L206-L210 VanDerWaalsContact O-N 3.14Å |
| 207 | F | 56.3 | Low | 62.3 | Low | 136 Ų | 136 | 106.3 Ų | 106.3 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.4 | -44.5 | 174.4 | -72.3 | -66.7 | 0 | 0 | 0 | 111.1 | E203 L209 L210 F211 | E203-F207 WeakPolarHBondContact O-CD2 3.29Å; E203-F207 PolarHBondContact O-N 2.99Å; F207-L209 VanDerWaalsContact C-N 3.26Å; F207-L209 PolarHBondContact O-N 2.85Å; F207-L210 PolarHBondContact O-N 3.19Å; F207-F211 HydrophobicContact CB-CE2 4.47Å; F207-F211 WeakPolarHBondContact O-CD2 3.34Å; F207-F211 PolarHBondContact O-N 3.23Å |
| 208 | S | 59.4 | Low | 64 | Low | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -32.4 | 176.3 | -163.1 | 0 | 0 | 0 | 0 | 113.1 | K204 S205 | K204-S208 PolarHBondContact O-N 2.92Å; S205-S208 PolarHBondContact O-N 3.43Å |
| 209 | L | 63.4 | Low | 65.8 | Low | 107 Ų | 107 | 106.7 Ų | 106.7 | 56% | 0.56 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.7 | -26.7 | 177.9 | -121.9 | 154.4 | 0 | 0 | 0 | 113.1 | S205 L206 F207 P213 | S205-L209 WeakPolarHBondContact O-CB 3.4Å; S205-L209 PolarHBondContact O-N 3.35Å; L206-L209 PolarHBondContact O-N 2.82Å; F207-L209 VanDerWaalsContact C-N 3.26Å; F207-L209 PolarHBondContact O-N 2.85Å; L209-P213 WeakPolarHBondContact O-CD 3.21Å; L209-P213 WeakPolarHBondContact O-CG 3.39Å |
| 210 | L | 67.1 | Low | 67.5 | Low | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.7 | -28.5 | 175.5 | -73.1 | 169.8 | 0 | 0 | 0 | 112.8 | L206 F207 P213 L214 | L206-L210 WeakPolarHBondContact O-CG 3.28Å; L206-L210 PolarHBondContact O-N 2.82Å; L206-L210 VanDerWaalsContact O-N 3.14Å; F207-L210 PolarHBondContact O-N 3.19Å; L210-P213 VanDerWaalsContact O-CD 3.31Å; L210-P213 WeakPolarHBondContact O-CD 3.44Å; L210-P213 WeakPolarHBondContact O-CG 3.34Å; L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 PolarHBondContact O-N 3.5Å |
| 211 | F | 72.9 | Confident | 69 | Low | 128 Ų | 128 | 101.7 Ų | 101.7 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 179 | -77.4 | -72.1 | 0 | 0 | 0 | 113.2 | F207 L214 L215 | F207-F211 HydrophobicContact CB-CE2 4.47Å; F207-F211 WeakPolarHBondContact O-CD2 3.34Å; F207-F211 PolarHBondContact O-N 3.23Å; F211-L214 PolarHBondContact O-N 2.89Å; F211-L215 WeakPolarHBondContact O-CB 3.35Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.41Å; F211-L215 PolarHBondContact O-N 2.85Å |
| 212 | I | 75.6 | Confident | 70.4 | Confident | 117 Ų | 117 | 101.2 Ų | 101.2 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -52 | -178.8 | -58.7 | 170.7 | 0 | 0 | 0 | 112.7 | L214 L215 A216 | I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 3.47Å; I212-L215 PolarHBondContact O-N 3.49Å; I212-A216 PolarHBondContact O-N 2.92Å |
| 213 | P | 76.9 | Confident | 71.6 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -30.9 | 177.1 | 26.3 | -33.4 | 0 | 0 | 0 | 112.7 | L209 L210 A216 L217 | L209-P213 WeakPolarHBondContact O-CD 3.21Å; L209-P213 WeakPolarHBondContact O-CG 3.39Å; L210-P213 VanDerWaalsContact O-CD 3.31Å; L210-P213 WeakPolarHBondContact O-CD 3.44Å; L210-P213 WeakPolarHBondContact O-CG 3.34Å; P213-A216 PolarHBondContact O-N 3.48Å; P213-L217 PolarHBondContact O-N 3.38Å |
| 214 | L | 75 | Confident | 72.7 | Confident | 97 Ų | 97 | 107.6 Ų | 107.6 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.2 | -105.9 | 151.8 | 0 | 0 | 0 | 111.7 | L210 F211 I212 A216 L217 I218 | L210-L214 WeakPolarHBondContact O-CB 3.42Å; L210-L214 PolarHBondContact O-N 3.5Å; F211-L214 PolarHBondContact O-N 2.89Å; I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 3.47Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 2.86Å; L214-L217 PolarHBondContact O-N 3.06Å; L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.18Å; L214-I218 PolarHBondContact O-N 2.78Å |
| 215 | L | 81.6 | Confident | 73.7 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.5 | -70.1 | 173.5 | 0 | 0 | 0 | 111.4 | F211 I212 L217 I218 F219 | F211-L215 WeakPolarHBondContact O-CB 3.35Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.41Å; F211-L215 PolarHBondContact O-N 2.85Å; I212-L215 PolarHBondContact O-N 3.49Å; L215-L217 PolarHBondContact O-N 3.34Å; L215-I218 PolarHBondContact O-N 3.29Å; L215-F219 WeakPolarHBondContact O-CD2 3.22Å; L215-F219 PolarHBondContact O-N 3.44Å |
| 216 | A | 80.9 | Confident | 74.3 | Confident | 49 Ų | 49 | 109.7 Ų | 109.7 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I212 P213 L214 F219 L220 | I212-A216 PolarHBondContact O-N 2.92Å; P213-A216 PolarHBondContact O-N 3.48Å; L214-A216 VanDerWaalsContact C-N 3.35Å; L214-A216 PolarHBondContact O-N 2.86Å; A216-F219 PolarHBondContact O-N 3.28Å; A216-L220 WeakPolarHBondContact O-CG 3.49Å; A216-L220 PolarHBondContact O-N 3.38Å |
| 217 | L | 82 | Confident | 74.6 | Confident | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 174.4 | -91 | 164 | 0 | 0 | 0 | 112.1 | P213 L214 L215 F219 L220 L221 | P213-L217 PolarHBondContact O-N 3.38Å; L214-L217 PolarHBondContact O-N 3.06Å; L215-L217 PolarHBondContact O-N 3.34Å; L217-F219 VanDerWaalsContact C-N 3.33Å; L217-F219 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 3.3Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 3.41Å |
| 218 | I | 84.3 | Confident | 74.8 | Confident | 87 Ų | 87 | 108.9 Ų | 108.9 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.9 | -67.1 | 164.4 | 0 | 0 | 0 | 110.1 | L214 L215 L220 L221 V222 | L214-I218 VanDerWaalsContact O-CG1 3.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.18Å; L214-I218 PolarHBondContact O-N 2.78Å; L215-I218 PolarHBondContact O-N 3.29Å; I218-L220 PolarHBondContact O-N 3.48Å; I218-L221 PolarHBondContact O-N 2.89Å; I218-V222 HydrophobicContact CG2-CG2 4.36Å; I218-V222 WeakPolarHBondContact O-CB 3.4Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.22Å; I218-V222 PolarHBondContact O-N 3.45Å |
| 219 | F | 84.2 | Confident | 74.7 | Confident | 150 Ų | 150 | 111.6 Ų | 111.6 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 175.9 | -98.3 | -80.8 | 0 | 0 | 0 | 112.6 | L215 A216 L217 V222 W223 | L215-F219 WeakPolarHBondContact O-CD2 3.22Å; L215-F219 PolarHBondContact O-N 3.44Å; A216-F219 PolarHBondContact O-N 3.28Å; L217-F219 VanDerWaalsContact C-N 3.33Å; L217-F219 PolarHBondContact O-N 2.82Å; F219-V222 PolarHBondContact O-N 2.86Å; F219-W223 VanDerWaalsContact O-CB 3.29Å; F219-W223 WeakPolarHBondContact O-CB 3.24Å; F219-W223 PolarHBondContact O-N 2.9Å |
| 220 | L | 82.3 | Confident | 74.2 | Confident | 113 Ų | 113 | 112.9 Ų | 112.9 | 59% | 0.592 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -38.8 | 177.5 | -71.5 | 175.2 | 0 | 0 | 0 | 112.3 | A216 L217 I218 K224 | A216-L220 WeakPolarHBondContact O-CG 3.49Å; A216-L220 PolarHBondContact O-N 3.38Å; L217-L220 PolarHBondContact O-N 3.3Å; I218-L220 PolarHBondContact O-N 3.48Å; L220-K224 VanDerWaalsContact O-CB 3.22Å; L220-K224 WeakPolarHBondContact O-CB 3.28Å; L220-K224 PolarHBondContact O-N 3.49Å |
| 221 | L | 79.6 | Confident | 73.6 | Confident | 108 Ų | 108 | 113.1 Ų | 113.1 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.5 | -46.2 | 175.1 | -70.2 | 173.4 | 0 | 0 | 0 | 111.1 | L217 I218 W223 K224 V225 | L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 3.41Å; I218-L221 PolarHBondContact O-N 2.89Å; L221-W223 PolarHBondContact O-N 3.42Å; L221-K224 PolarHBondContact O-N 2.88Å; L221-V225 WeakPolarHBondContact O-CB 3.28Å; L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.46Å |
| 222 | V | 81.6 | Confident | 72.5 | Confident | 87 Ų | 87 | 114.2 Ų | 114.2 | 53% | 0.527 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -44.7 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I218 F219 V225 R226 | I218-V222 HydrophobicContact CG2-CG2 4.36Å; I218-V222 WeakPolarHBondContact O-CB 3.4Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.22Å; I218-V222 PolarHBondContact O-N 3.45Å; F219-V222 PolarHBondContact O-N 2.86Å; V222-V225 PolarHBondContact O-N 2.96Å; V222-R226 VanDerWaalsContact O-CB 3.27Å; V222-R226 WeakPolarHBondContact O-CB 3.29Å; V222-R226 PolarHBondContact O-N 3.43Å |
| 223 | W | 78.3 | Confident | 70.8 | Confident | 190 Ų | 190 | 116.8 Ų | 116.8 | 72% | 0.72 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.2 | -47.7 | 176.4 | -165.2 | -44.3 | 0 | 0 | 0 | 110.7 | F219 L221 V225 R226 S227 | F219-W223 VanDerWaalsContact O-CB 3.29Å; F219-W223 WeakPolarHBondContact O-CB 3.24Å; F219-W223 PolarHBondContact O-N 2.9Å; L221-W223 PolarHBondContact O-N 3.42Å; W223-V225 PolarHBondContact O-N 2.76Å; W223-R226 PolarHBondContact O-N 3.24Å; W223-S227 VanDerWaalsContact O-CB 3.28Å; W223-S227 WeakPolarHBondContact O-CB 3.49Å; W223-S227 PolarHBondContact O-N 3.31Å |
| 224 | K | 77.3 | Confident | 69.2 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.5 | -39.8 | -179.6 | -172.1 | 168 | -177.9 | 160.3 | 0 | 112.2 | L220 L221 R228 | L220-K224 VanDerWaalsContact O-CB 3.22Å; L220-K224 WeakPolarHBondContact O-CB 3.28Å; L220-K224 PolarHBondContact O-N 3.49Å; L221-K224 PolarHBondContact O-N 2.88Å; K224-R228 WeakPolarHBondContact O-CB 3.43Å; K224-R228 WeakPolarHBondContact O-CG 3.27Å; K224-R228 PolarHBondContact O-N 3.08Å |
| 225 | V | 73.4 | Confident | 67.4 | Low | 73 Ų | 73 | 126 Ų | 126 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.3 | -41.9 | 175.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | L221 V222 W223 R228 R229 | L221-V225 WeakPolarHBondContact O-CB 3.28Å; L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.46Å; V222-V225 PolarHBondContact O-N 2.96Å; W223-V225 PolarHBondContact O-N 2.76Å; V225-R228 PolarHBondContact O-N 3.08Å; V225-R229 PolarHBondContact O-N 3.23Å; V225-R229 VanDerWaalsContact O-N 3.08Å |
| 226 | R | 70.9 | Confident | 65 | Low | 185 Ų | 185 | 127.1 Ų | 127.1 | 70% | 0.698 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.5 | -39.6 | 176.6 | -170.5 | 174.2 | -178.6 | 163.3 | -0.2 | 112.1 | V222 W223 R229 N230 | V222-R226 VanDerWaalsContact O-CB 3.27Å; V222-R226 WeakPolarHBondContact O-CB 3.29Å; V222-R226 PolarHBondContact O-N 3.43Å; W223-R226 PolarHBondContact O-N 3.24Å; R226-R229 PolarHBondContact O-N 3.03Å; R226-N230 PolarHBondContact O-N 3.33Å |
| 227 | S | 64.8 | Low | 62.9 | Low | 59 Ų | 59 | 132.3 Ų | 132.3 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.4 | -41.3 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | W223 N230 V231 | W223-S227 VanDerWaalsContact O-CB 3.28Å; W223-S227 WeakPolarHBondContact O-CB 3.49Å; W223-S227 PolarHBondContact O-N 3.31Å; S227-N230 PolarHBondContact O-N 3.07Å; S227-V231 WeakPolarHBondContact O-CG2 3.32Å; S227-V231 PolarHBondContact O-N 3.23Å; S227-V231 VanDerWaalsContact O-N 3.07Å |
| 228 | R | 59.7 | Low | 60.4 | Low | 159 Ų | 159 | 138.9 Ų | 138.9 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63 | -40.2 | 174.3 | -78.4 | -175.3 | 179.3 | -124.5 | 0.3 | 112.2 | K224 V225 N230 V231 E232 | K224-R228 WeakPolarHBondContact O-CB 3.43Å; K224-R228 WeakPolarHBondContact O-CG 3.27Å; K224-R228 PolarHBondContact O-N 3.08Å; V225-R228 PolarHBondContact O-N 3.08Å; R228-N230 VanDerWaalsContact C-N 3.31Å; R228-N230 PolarHBondContact O-N 3.43Å; R228-V231 PolarHBondContact O-N 3.06Å; R228-E232 PolarHBondContact O-N 3.19Å |
| 229 | R | 57.6 | Low | 57.8 | Low | 130 Ų | 130 | 137.4 Ų | 137.4 | 49% | 0.491 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.4 | -34 | 173.5 | -78.7 | -175.9 | 180 | 132.3 | -1.9 | 113.5 | V225 R226 V231 | V225-R229 PolarHBondContact O-N 3.23Å; V225-R229 VanDerWaalsContact O-N 3.08Å; R226-R229 PolarHBondContact O-N 3.03Å; R229-V231 VanDerWaalsContact C-N 3.34Å |
| 230 | N | 52.8 | Low | 55.4 | Low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.4 | -24.6 | 175.7 | -108.8 | 5.8 | 0 | 0 | 0 | 113.1 | R226 S227 R228 | R226-N230 PolarHBondContact O-N 3.33Å; S227-N230 PolarHBondContact O-N 3.07Å; R228-N230 VanDerWaalsContact C-N 3.31Å; R228-N230 PolarHBondContact O-N 3.43Å |
| 231 | V | 55 | Low | 53.1 | Low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.1 | -28 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | S227 R228 R229 H233 | S227-V231 WeakPolarHBondContact O-CG2 3.32Å; S227-V231 PolarHBondContact O-N 3.23Å; S227-V231 VanDerWaalsContact O-N 3.07Å; R228-V231 PolarHBondContact O-N 3.06Å; R229-V231 VanDerWaalsContact C-N 3.34Å; V231-H233 VanDerWaalsContact C-N 3.31Å; V231-H233 PolarHBondContact O-N 3.43Å |
| 232 | E | 47.8 | Very low | 50.8 | Low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -86.1 | 11.6 | 177 | -73.1 | -177.6 | -173.1 | 0 | 0 | 114.7 | R228 | R228-E232 PolarHBondContact O-N 3.19Š|
| 233 | H | 41.5 | Very low | 48.3 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | trans | -118.2 | 82.6 | 169 | -100.6 | 40.1 | 0 | 0 | 0 | 112.7 | V231 | V231-H233 VanDerWaalsContact C-N 3.31Å; V231-H233 PolarHBondContact O-N 3.43Å | ||
| 234 | P | 43.1 | Very low | 46 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | trans | -108.8 | 120 | 141.4 | 25.4 | -11 | 0 | 0 | 0 | 110.3 | ||||
| 235 | R | 36.5 | Very low | 43.9 | Very low | 250 Ų | 250 | 146.4 Ų | 146.4 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | trans | 49 | 115.2 | 155.8 | -87 | 179.1 | 162.1 | 131.9 | -4.6 | 118.7 | ||||
| 236 | S | 31.5 | Very low | 41.9 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | 177.8 | 129.7 | 103.3 | -174 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 237 | N | 36 | Very low | 40.5 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -52.4 | 154 | 166.3 | -72.8 | -37.2 | 0 | 0 | 0 | 112 | ||||
| 238 | R | 30.6 | Very low | 38.9 | Very low | 244 Ų | 244 | 152.3 Ų | 152.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | 155.3 | 124.1 | 123 | -177.4 | 170.9 | 170.6 | -177.6 | -3.5 | 112.1 | |||||
| 239 | G | 28.8 | Very low | 37.6 | Very low | 57 Ų | 57 | 148.8 Ų | 148.8 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | 101 | 111.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 240 | E | 35 | Very low | 37 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 110.4 | 134.4 | -61.9 | 154.9 | -157 | 0 | 0 | 116.1 | ||||
| 241 | E | 33.4 | Very low | 36.1 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 49.4 | 127.3 | 71.9 | -70.8 | -177.3 | 170.1 | 0 | 0 | 110.1 | |||||
| 242 | E | 31.6 | Very low | 35.7 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -169 | 162.6 | 13.9 | -101.9 | 172.8 | 154.7 | 0 | 0 | 103.9 | ||||
| 243 | S | 28.9 | Very low | 34.9 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 165.6 | 102.3 | 130.8 | -174 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | F | 29.7 | Very low | 34.5 | Very low | 180 Ų | 180 | 144 Ų | 144 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | trans | -76.2 | 141 | 157.6 | -130.4 | -101.5 | 0 | 0 | 0 | 108 | ||||
| 245 | T | 33.4 | Very low | 34.1 | Very low | 141 Ų | 141 | 148 Ų | 148 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -175.9 | 126.1 | 130.4 | -63.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 246 | E | 30.5 | Very low | 34.1 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -113.8 | 173.9 | 175.3 | 166.7 | 176.2 | -179.6 | 0 | 0 | 107.2 | ||||
| 247 | P | 42.9 | Very low | 34.3 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | cis | -131.9 | -174.5 | -12 | 26 | -1.8 | 0 | 0 | 0 | 115.6 | ||||
| 248 | M | 30.2 | Very low | 34.4 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | 94 | 127.1 | 137.5 | -139.7 | 128.4 | 81.4 | 0 | 0 | 121.7 | ||||
| 249 | A | 33.3 | Very low | 34.9 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -89.4 | -165.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 250 | P | 44.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -141.4 | 164.9 | -9.5 | 36.5 | -15.6 | 0 | 0 | 0 | 118.5 | ||||
| 251 | Q | 34.6 | Very low | 35.4 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 61 | 168.3 | 145.1 | -78.7 | -164.8 | -9.6 | 0 | 0 | 122.8 | ||||
| 252 | P | 45.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -138 | -166.6 | -24.8 | 34.3 | -11.8 | 0 | 0 | 0 | 114.8 | ||||
| 253 | A | 31.7 | Very low | 35.8 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | 108.7 | 131.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 254 | G | 33.5 | Very low | 36.4 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -156.3 | 106.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 255 | E | 34.8 | Very low | 37.5 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 145.7 | 161.3 | -78.7 | -174.8 | 145.2 | 0 | 0 | 108.1 | ||||
| 256 | T | 36.5 | Very low | 37.7 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 96% | 0.957 | 79% | 0.791 | S | S | * | * | trans | -158.5 | 154.2 | 136 | 37.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 257 | S | 34.7 | Very low | 37.9 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -115.6 | 148 | -162.2 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | E | 37 | Very low | 37.5 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 67% | 0.673 | 83% | 0.832 | S | S | * | * | 158.2 | 127.4 | 118.9 | -89.9 | -164.2 | 115.9 | 0 | 0 | 116.2 | |||||
| 259 | K | 42 | Very low | 37.9 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 71% | 0.709 | 83% | 0.829 | S | S | * | * | trans | 57.4 | 126.3 | 134.6 | -67.5 | 177.5 | 179.5 | 153.7 | 0 | 124 | ||||
| 260 | N | 36.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | -171.9 | 126.6 | 108.4 | -92.1 | -19.9 | 0 | 0 | 0 | 115.6 | |||||
| 261 | A | 37.7 | Very low | 37.8 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | 48.8 | 115.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 262 | L | 35 | Very low | 38 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 84% | 0.84 | S | S | * | * | trans | 23 | 127.6 | 132.8 | -106.3 | 83.8 | 0 | 0 | 0 | 122.9 | ||||
| 263 | N | 39.4 | Very low | 37.5 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | -171.6 | 136.8 | 113.1 | -100.7 | -10 | 0 | 0 | 0 | 112.6 | |||||
| 264 | I | 41.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 80% | 0.795 | 84% | 0.844 | S | S | * | * | trans | -120.6 | 144.1 | 161.5 | -50.8 | 168.5 | 0 | 0 | 0 | 105.9 | ||||
| 265 | P | 51.4 | Low | 38.2 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | -144.4 | 174.6 | 98.4 | 30.1 | -9.8 | 0 | 0 | 0 | 111.2 | |||||
| 266 | A | 39 | Very low | 38.4 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | cis | -177.2 | 147.6 | -19 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 267 | E | 34.4 | Very low | 38.6 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | 168.5 | 106.6 | 140.6 | -107 | -171 | 138.6 | 0 | 0 | 109.3 | ||||
| 268 | V | 34.4 | Very low | 38.9 | Very low | 220 Ų | 220 | 150.5 Ų | 150.5 | 100% | 1.333 | 84% | 0.84 | S | S | * | * | -151.5 | 0 | 99.7 | 177.3 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 268 of 268 residues in 114.1 ms
(Link to these results)