| 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 | 50.2 | Low | 60.4 | Low | 182 Ų | 182 | 80.3 Ų | 80.3 | 90% | 0.897 | 41% | 0.41 | S | S | * | . | 0 | -44.8 | 0 | -77.2 | -167.5 | 160.1 | 0 | 0 | 113.6 | W3 M4 L5 | M1-W3 VanDerWaalsContact C-N 3.28Å; M1-W3 PolarHBondContact O-N 2.75Å; M1-W3 VanDerWaalsContact O-N 3.17Å; M1-M4 PolarHBondContact O-N 2.84Å; M1-L5 PolarHBondContact O-N 3.48Å | |||
| 2 | S | 56.8 | Low | 60.5 | Low | 58 Ų | 58 | 80 Ų | 80 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.4 | -30.8 | -177.1 | -54.6 | 0 | 0 | 0 | 0 | 116.2 | A6 R56 | S2-A6 WeakPolarHBondContact O-CB 3.46Å; S2-A6 PolarHBondContact O-N 2.83Å; S2-A6 VanDerWaalsContact O-N 3.13Å; S2-R56 PolarHBondContact O-NH2 3.48Å |
| 3 | W | 59.3 | Low | 60.5 | Low | 100 Ų | 100 | 75.5 Ų | 75.5 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -77 | -36.3 | 179.9 | 65.3 | -95.7 | 0 | 0 | 0 | 112.7 | M1 L5 A6 L7 I202 | M1-W3 VanDerWaalsContact C-N 3.28Å; M1-W3 PolarHBondContact O-N 2.75Å; M1-W3 VanDerWaalsContact O-N 3.17Å; W3-L5 VanDerWaalsContact C-N 3.32Å; W3-L5 PolarHBondContact O-N 3.35Å; W3-A6 PolarHBondContact O-N 2.89Å; W3-L7 HydrophobicContact CE3-CD1 3.67Å; W3-L7 HydrophobicContact CZ3-CD1 3.76Å; W3-L7 PolarHBondContact O-N 3.13Å; W3-I202 HydrophobicContact CG-CD1 4.2Å |
| 4 | M | 63.7 | Low | 60.3 | Low | 112 Ų | 112 | 77.6 Ų | 77.6 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 175.1 | -70.7 | 178.3 | 162 | 0 | 0 | 110.8 | M1 L7 L8 | M1-M4 PolarHBondContact O-N 2.84Å; M4-L7 PolarHBondContact O-N 2.76Å; M4-L8 VanDerWaalsContact O-CB 3.24Å; M4-L8 WeakPolarHBondContact O-CB 3.32Å; M4-L8 PolarHBondContact O-N 3.3Å |
| 5 | L | 61.2 | Low | 60.1 | Low | 64 Ų | 64 | 76 Ų | 76 | 34% | 0.335 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 174.4 | -84.3 | 150.5 | 0 | 0 | 0 | 112.5 | M1 W3 S9 F52 F55 | M1-L5 PolarHBondContact O-N 3.48Å; W3-L5 VanDerWaalsContact C-N 3.32Å; W3-L5 PolarHBondContact O-N 3.35Å; L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.46Å; L5-S9 PolarHBondContact O-OG 3.24Å; L5-S9 VanDerWaalsContact O-OG 3.11Å; L5-F52 HydrophobicContact CB-CE2 3.89Å; L5-F52 HydrophobicContact CB-CZ 4.12Å; L5-F52 HydrophobicContact CD2-CE2 4.04Å; L5-F55 HydrophobicContact CD1-CE1 4.42Å |
| 6 | A | 60.5 | Low | 59.7 | Low | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S2 W3 S9 M10 C191 F195 | S2-A6 WeakPolarHBondContact O-CB 3.46Å; S2-A6 PolarHBondContact O-N 2.83Å; S2-A6 VanDerWaalsContact O-N 3.13Å; W3-A6 PolarHBondContact O-N 2.89Å; A6-S9 VanDerWaalsContact CA-OG 3.3Å; A6-S9 WeakPolarHBondContact CA-OG 3.21Å; A6-S9 PolarHBondContact O-N 3.42Å; A6-S9 PolarHBondContact O-OG 3.27Å; A6-M10 WeakPolarHBondContact O-CB 3.24Å; A6-M10 PolarHBondContact O-N 3.23Å; A6-C191 PolarHBondContact O-SG 3.49Å; A6-F195 HydrophobicContact CB-CB 4.33Å |
| 7 | L | 64 | Low | 59.4 | Low | 66 Ų | 66 | 73.9 Ų | 73.9 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 171.9 | -79.2 | 176.7 | 0 | 0 | 0 | 110.9 | W3 M4 S9 M10 L11 F195 | W3-L7 HydrophobicContact CE3-CD1 3.67Å; W3-L7 HydrophobicContact CZ3-CD1 3.76Å; W3-L7 PolarHBondContact O-N 3.13Å; M4-L7 PolarHBondContact O-N 2.76Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.91Å; L7-M10 PolarHBondContact O-N 3.25Å; L7-M10 VanDerWaalsContact O-N 3.17Å; L7-L11 VanDerWaalsContact O-CB 3.23Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.13Å; L7-F195 HydrophobicContact CD1-CE2 3.94Å; L7-F195 HydrophobicContact CD2-CD2 3.82Å; L7-F195 HydrophobicContact CD2-CE2 3.42Å; L7-F195 VanDerWaalsContact CD2-CE2 3.42Å; L7-F195 HydrophobicContact CD2-CZ 3.85Å; L7-F195 HydrophobicContact CG-CD2 3.85Å; L7-F195 HydrophobicContact CG-CE2 3.48Å; L7-F195 VanDerWaalsContact CG-CE2 3.48Å; L7-F195 HydrophobicContact CG-CZ 4.33Å |
| 8 | L | 64.2 | Low | 59.4 | Low | 102 Ų | 102 | 81.1 Ų | 81.1 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 177.2 | -167.9 | 70.9 | 0 | 0 | 0 | 111.1 | M4 L12 | M4-L8 VanDerWaalsContact O-CB 3.24Å; M4-L8 WeakPolarHBondContact O-CB 3.32Å; M4-L8 PolarHBondContact O-N 3.3Å; L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CG-CD1 4.31Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.45Å |
| 9 | S | 59.9 | Low | 59.2 | Low | 24 Ų | 24 | 81.9 Ų | 81.9 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | L5 A6 L7 L12 T13 C191 | L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.46Å; L5-S9 PolarHBondContact O-OG 3.24Å; L5-S9 VanDerWaalsContact O-OG 3.11Å; A6-S9 VanDerWaalsContact CA-OG 3.3Å; A6-S9 WeakPolarHBondContact CA-OG 3.21Å; A6-S9 PolarHBondContact O-N 3.42Å; A6-S9 PolarHBondContact O-OG 3.27Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.91Å; S9-L12 PolarHBondContact O-N 2.64Å; S9-T13 WeakPolarHBondContact O-CB 2.99Å; S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 PolarHBondContact O-OG1 3.06Å; S9-C191 PolarHBondContact OG-SG 3.13Å |
| 10 | M | 61.3 | Low | 59.1 | Low | 65 Ų | 65 | 79.4 Ų | 79.4 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.9 | -164.5 | -176.5 | -173.2 | 0 | 0 | 111.1 | A6 L7 T13 F14 C191 | A6-M10 WeakPolarHBondContact O-CB 3.24Å; A6-M10 PolarHBondContact O-N 3.23Å; L7-M10 PolarHBondContact O-N 3.25Å; L7-M10 VanDerWaalsContact O-N 3.17Å; M10-T13 PolarHBondContact O-N 2.81Å; M10-F14 HydrophobicContact CG-CD2 4.43Å; M10-F14 PolarHBondContact O-N 3.26Å; M10-F14 VanDerWaalsContact O-N 3.12Å; M10-C191 PolarHBondContact N-SG 3.02Å |
| 11 | L | 63.6 | Low | 59.1 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | 177.8 | -151.7 | 91.1 | 0 | 0 | 0 | 111.8 | L7 P15 C16 | L7-L11 VanDerWaalsContact O-CB 3.23Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.13Å; L11-P15 HydrophobicContact CG-CG 4.39Å; L11-P15 WeakPolarHBondContact O-CD 3.07Å; L11-P15 WeakPolarHBondContact O-CG 3.34Å; L11-C16 PolarHBondContact O-SG 2.81Å |
| 12 | L | 61.6 | Low | 59.6 | Low | 77 Ų | 77 | 77 Ų | 77 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -72.1 | -37.9 | 172 | -108 | 76.5 | 0 | 0 | 0 | 111.8 | L8 S9 C16 F17 | L8-L12 HydrophobicContact CD1-CD1 4.27Å; L8-L12 HydrophobicContact CG-CD1 4.31Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.45Å; S9-L12 PolarHBondContact O-N 2.64Å; L12-C16 WeakPolarHBondContact O-CB 3.05Å; L12-F17 VanDerWaalsContact O-CD2 3.28Å; L12-F17 WeakPolarHBondContact O-CD2 3.12Å |
| 13 | T | 60 | Low | 59.7 | Low | 21 Ų | 21 | 82.1 Ų | 82.1 | 13% | 0.129 | 40% | 0.398 | C | S | . | . | I | π-helix | trans | -74.2 | -38.5 | -171.4 | -57 | 0 | 0 | 0 | 0 | 112.3 | S9 M10 V187 | S9-T13 WeakPolarHBondContact O-CB 2.99Å; S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 PolarHBondContact O-OG1 3.06Å; M10-T13 PolarHBondContact O-N 2.81Å; T13-V187 HydrophobicContact CG2-CG1 3.95Å |
| 14 | F | 57.6 | Low | 59.6 | Low | 105 Ų | 105 | 82.1 Ų | 82.1 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -93.2 | -60.2 | -171.5 | -90.8 | -76.9 | 0 | 0 | 0 | 114.9 | M10 S188 | M10-F14 HydrophobicContact CG-CD2 4.43Å; M10-F14 PolarHBondContact O-N 3.26Å; M10-F14 VanDerWaalsContact O-N 3.12Å; F14-S188 WeakPolarHBondContact CE2-OG 3.2Å; F14-S188 WeakPolarHBondContact CZ-OG 3.37Å |
| 15 | P | 57.7 | Low | 59.5 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -82.4 | -42 | -179.6 | 27 | -32.2 | 0 | 0 | 0 | 112.9 | L11 F17 R18 L19 | L11-P15 HydrophobicContact CG-CG 4.39Å; L11-P15 WeakPolarHBondContact O-CD 3.07Å; L11-P15 WeakPolarHBondContact O-CG 3.34Å; P15-F17 PolarHBondContact O-N 2.85Å; P15-R18 PolarHBondContact O-N 2.87Å; P15-L19 HydrophobicContact CB-CD1 4.36Å; P15-L19 VanDerWaalsContact O-CB 3.29Å; P15-L19 WeakPolarHBondContact O-CB 3.15Å; P15-L19 PolarHBondContact O-N 2.69Å |
| 16 | C | 54.5 | Low | 59.3 | Low | 57 Ų | 57 | 79.9 Ų | 79.9 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | I | π-helix | trans | -66.9 | -33.8 | -171.9 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | L11 L12 A20 | L11-C16 PolarHBondContact O-SG 2.81Å; L12-C16 WeakPolarHBondContact O-CB 3.05Å; C16-A20 WeakPolarHBondContact O-CB 3.39Å; C16-A20 PolarHBondContact O-N 2.7Å |
| 17 | F | 53.4 | Low | 59.2 | Low | 59 Ų | 59 | 82.7 Ų | 82.7 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -78.2 | -32.9 | 177.3 | -87.1 | -76.9 | 0 | 0 | 0 | 113.7 | L12 P15 R21 L41 R45 | L12-F17 VanDerWaalsContact O-CD2 3.28Å; L12-F17 WeakPolarHBondContact O-CD2 3.12Å; P15-F17 PolarHBondContact O-N 2.85Å; F17-R21 WeakPolarHBondContact O-CB 3.19Å; F17-R21 PolarHBondContact O-N 2.85Å; F17-L41 HydrophobicContact CE1-CB 4.38Å; F17-R45 HydrophobicContact CE1-CB 4.05Å; F17-R45 HydrophobicContact CE1-CG 4.46Å; F17-R45 HydrophobicContact CE2-CB 4.25Å; F17-R45 HydrophobicContact CE2-CG 3.99Å; F17-R45 HydrophobicContact CZ-CB 3.63Å; F17-R45 HydrophobicContact CZ-CG 3.89Å |
| 18 | R | 59 | Low | 59.1 | Low | 203 Ų | 203 | 84.3 Ų | 84.3 | 77% | 0.766 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 170 | -100.6 | -110.3 | -173.6 | 177.9 | 1.2 | 110 | P15 R21 T22 | P15-R18 PolarHBondContact O-N 2.87Å; R18-R21 PolarHBondContact O-N 2.85Å; R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.3Å; R18-T22 PolarHBondContact O-OG1 3.47Å; R18-T22 VanDerWaalsContact O-OG1 3.06Å |
| 19 | L | 55.5 | Low | 58.9 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.7 | -86.4 | 154.5 | 0 | 0 | 0 | 112.4 | P15 T22 Y23 | P15-L19 HydrophobicContact CB-CD1 4.36Å; P15-L19 VanDerWaalsContact O-CB 3.29Å; P15-L19 WeakPolarHBondContact O-CB 3.15Å; P15-L19 PolarHBondContact O-N 2.69Å; L19-T22 VanDerWaalsContact CA-OG1 3.27Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 2.77Å; L19-T22 PolarHBondContact O-OG1 3.38Å; L19-Y23 VanDerWaalsContact O-CB 3.26Å; L19-Y23 WeakPolarHBondContact O-CB 3.15Å; L19-Y23 PolarHBondContact O-N 3.12Å |
| 20 | A | 58.1 | Low | 58.9 | Low | 32 Ų | 32 | 88.3 Ų | 88.3 | 26% | 0.264 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C16 K24 L41 | C16-A20 WeakPolarHBondContact O-CB 3.39Å; C16-A20 PolarHBondContact O-N 2.7Å; A20-K24 VanDerWaalsContact O-CB 3.3Å; A20-K24 WeakPolarHBondContact O-CB 3.26Å; A20-K24 PolarHBondContact O-N 3.02Å; A20-L41 HydrophobicContact CB-CD1 4.42Å |
| 21 | R | 58.4 | Low | 58.7 | Low | 138 Ų | 138 | 88 Ų | 88 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.6 | -44.2 | 173.7 | -170.4 | 175.7 | -80.5 | 173.2 | -6 | 111.1 | F17 R18 Y23 K24 D25 | F17-R21 WeakPolarHBondContact O-CB 3.19Å; F17-R21 PolarHBondContact O-N 2.85Å; R18-R21 PolarHBondContact O-N 2.85Å; R21-Y23 VanDerWaalsContact C-N 3.28Å; R21-Y23 PolarHBondContact O-N 3.28Å; R21-K24 PolarHBondContact O-N 3.08Å; R21-D25 WeakPolarHBondContact O-CB 3.09Å; R21-D25 PolarHBondContact O-N 3.3Å |
| 22 | T | 60.7 | Low | 58.3 | Low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 173.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | R18 L19 A26 | R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.3Å; R18-T22 PolarHBondContact O-OG1 3.47Å; R18-T22 VanDerWaalsContact O-OG1 3.06Å; L19-T22 VanDerWaalsContact CA-OG1 3.27Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 2.77Å; L19-T22 PolarHBondContact O-OG1 3.38Å; T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 2.89Å |
| 23 | Y | 58.6 | Low | 57.9 | Low | 164 Ų | 164 | 90.2 Ų | 90.2 | 64% | 0.643 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | 173.7 | -114.8 | -93.4 | 0 | 0 | 0 | 111.4 | L19 R21 A26 L27 | L19-Y23 VanDerWaalsContact O-CB 3.26Å; L19-Y23 WeakPolarHBondContact O-CB 3.15Å; L19-Y23 PolarHBondContact O-N 3.12Å; R21-Y23 VanDerWaalsContact C-N 3.28Å; R21-Y23 PolarHBondContact O-N 3.28Å; Y23-A26 PolarHBondContact O-N 3.39Å; Y23-L27 WeakPolarHBondContact O-CB 3.01Å; Y23-L27 PolarHBondContact O-N 2.96Å |
| 24 | K | 58.4 | Low | 57.6 | Low | 100 Ų | 100 | 93.9 Ų | 93.9 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 175.5 | -173.4 | -174.9 | 174 | -166 | 0 | 110.9 | A20 R21 A26 L27 E28 | A20-K24 VanDerWaalsContact O-CB 3.3Å; A20-K24 WeakPolarHBondContact O-CB 3.26Å; A20-K24 PolarHBondContact O-N 3.02Å; R21-K24 PolarHBondContact O-N 3.08Å; K24-A26 VanDerWaalsContact C-N 3.27Å; K24-A26 PolarHBondContact O-N 2.75Å; K24-L27 PolarHBondContact O-N 3.26Å; K24-E28 WeakPolarHBondContact CE-OE1 3.48Å; K24-E28 IonicContact NZ-OE1 3.58Å; K24-E28 PolarHBondContact O-N 3.2Å |
| 25 | D | 61 | Low | 57.3 | Low | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 177.8 | -61.8 | -14.2 | 0 | 0 | 0 | 110.8 | R21 S29 | R21-D25 WeakPolarHBondContact O-CB 3.09Å; R21-D25 PolarHBondContact O-N 3.3Å; D25-S29 PolarHBondContact O-N 3.4Å; D25-S29 VanDerWaalsContact O-N 3.12Å |
| 26 | A | 57.6 | Low | 57.2 | Low | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.6 | -23 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T22 Y23 K24 S29 N30 | T22-A26 WeakPolarHBondContact O-CB 3.33Å; T22-A26 PolarHBondContact O-N 2.89Å; Y23-A26 PolarHBondContact O-N 3.39Å; K24-A26 VanDerWaalsContact C-N 3.27Å; K24-A26 PolarHBondContact O-N 2.75Å; A26-S29 WeakPolarHBondContact CA-OG 3.17Å; A26-S29 PolarHBondContact O-OG 3.03Å; A26-N30 PolarHBondContact O-ND2 3.29Å |
| 27 | L | 57.9 | Low | 57.1 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 32% | 0.319 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -80.3 | -40.3 | 173.2 | -123.3 | 74 | 0 | 0 | 0 | 111 | Y23 K24 S29 N30 G31 L36 | Y23-L27 WeakPolarHBondContact O-CB 3.01Å; Y23-L27 PolarHBondContact O-N 2.96Å; K24-L27 PolarHBondContact O-N 3.26Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.47Å; L27-N30 PolarHBondContact O-N 3.17Å; L27-N30 VanDerWaalsContact O-N 3.13Å; L27-G31 PolarHBondContact O-N 3.21Å; L27-L36 HydrophobicContact CD2-CD1 4.1Å |
| 28 | E | 61.3 | Low | 57.1 | Low | 99 Ų | 99 | 108.8 Ų | 108.8 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -36.6 | 174.9 | -76.2 | -178.4 | 175.2 | 0 | 0 | 110.8 | K24 N30 G31 | K24-E28 WeakPolarHBondContact CE-OE1 3.48Å; K24-E28 IonicContact NZ-OE1 3.58Å; K24-E28 PolarHBondContact O-N 3.2Å; E28-N30 VanDerWaalsContact C-N 3.27Å; E28-N30 PolarHBondContact O-N 2.97Å; E28-G31 PolarHBondContact O-N 3.3Å |
| 29 | S | 60.4 | Low | 56.8 | Low | 93 Ų | 93 | 106 Ų | 106 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -22.6 | 173.6 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | D25 A26 L27 | D25-S29 PolarHBondContact O-N 3.4Å; D25-S29 VanDerWaalsContact O-N 3.12Å; A26-S29 WeakPolarHBondContact CA-OG 3.17Å; A26-S29 PolarHBondContact O-OG 3.03Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.47Å |
| 30 | N | 60.5 | Low | 56.8 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 11.4 | -179.3 | -80.5 | -39.1 | 0 | 0 | 0 | 113.5 | A26 L27 E28 L32 | A26-N30 PolarHBondContact O-ND2 3.29Å; L27-N30 PolarHBondContact O-N 3.17Å; L27-N30 VanDerWaalsContact O-N 3.13Å; E28-N30 VanDerWaalsContact C-N 3.27Å; E28-N30 PolarHBondContact O-N 2.97Å; N30-L32 PolarHBondContact O-N 3.41Å; N30-L32 VanDerWaalsContact O-N 3.07Å |
| 31 | G | 56.2 | Low | 56.7 | Low | 58 Ų | 58 | 107.2 Ų | 107.2 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.4 | 11 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L27 E28 N33 | L27-G31 PolarHBondContact O-N 3.21Å; E28-G31 PolarHBondContact O-N 3.3Å; G31-N33 PolarHBondContact O-N 3.3Å |
| 32 | L | 55.1 | Low | 56.5 | Low | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | trans | -85 | 42.6 | -177.7 | -118.2 | 106.8 | 0 | 0 | 0 | 112.4 | N30 A34 | N30-L32 PolarHBondContact O-N 3.41Å; N30-L32 VanDerWaalsContact O-N 3.07Å; L32-A34 PolarHBondContact O-N 3.29Å | ||
| 33 | N | 54.8 | Low | 56.3 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 66% | 0.663 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 7.9 | -172 | -71.1 | -26.4 | 0 | 0 | 0 | 115.1 | G31 | G31-N33 PolarHBondContact O-N 3.3Š|
| 34 | A | 53 | Low | 56.3 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 81% | 0.81 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -7.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L32 | L32-A34 PolarHBondContact O-N 3.29Š|
| 35 | L | 51.9 | Low | 56.4 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 73% | 0.733 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -128.7 | -0.3 | -164.7 | -97 | 151.8 | 0 | 0 | 0 | 117.1 | ||
| 36 | L | 54.6 | Low | 56.4 | Low | 140 Ų | 140 | 89 Ų | 89 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -108.2 | 109.2 | 169.2 | -95.8 | 85.9 | 0 | 0 | 0 | 110.9 | L27 | L27-L36 HydrophobicContact CD2-CD1 4.1Š|
| 37 | P | 53.2 | Low | 56.7 | Low | 111 Ų | 111 | 92 Ų | 92 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | trans | -61.1 | 150.2 | 175.3 | 26.2 | -32 | 0 | 0 | 0 | 110.1 | L39 | P37-L39 PolarHBondContact O-N 3.16Š| ||
| 38 | H | 53 | Low | 56.9 | Low | 196 Ų | 196 | 93 Ų | 93 | 91% | 0.907 | 54% | 0.542 | S | S | * | . | trans | -56 | 44.6 | -171.2 | -54.8 | -73 | 0 | 0 | 0 | 117.2 | D40 | H38-D40 VanDerWaalsContact C-N 3.3Å; H38-D40 PolarHBondContact O-N 3.28Å | ||
| 39 | L | 51.6 | Low | 57 | Low | 146 Ų | 146 | 90.1 Ų | 90.1 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | trans | -75.7 | 88.7 | 171.4 | -138.8 | 81.4 | 0 | 0 | 0 | 108.2 | P37 L41 | P37-L39 PolarHBondContact O-N 3.16Å; L39-L41 PolarHBondContact O-N 2.93Å | ||
| 40 | D | 56.5 | Low | 57.2 | Low | 77 Ų | 77 | 92 Ų | 92 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | trans | -65.7 | 96.5 | -179.5 | -150.4 | -2.8 | 0 | 0 | 0 | 108.8 | H38 G42 S43 | H38-D40 VanDerWaalsContact C-N 3.3Å; H38-D40 PolarHBondContact O-N 3.28Å; D40-G42 PolarHBondContact O-N 3.23Å; D40-S43 PolarHBondContact O-N 2.81Å; D40-S43 PolarHBondContact O-OG 3.49Å | ||
| 41 | L | 56 | Low | 57.6 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -49.1 | -21.1 | -176.1 | -72.8 | 158.1 | 0 | 0 | 0 | 113.2 | F17 A20 L39 R45 | F17-L41 HydrophobicContact CE1-CB 4.38Å; A20-L41 HydrophobicContact CB-CD1 4.42Å; L39-L41 PolarHBondContact O-N 2.93Å; L41-R45 PolarHBondContact O-N 3.27Å |
| 42 | G | 54.7 | Low | 57.9 | Low | 26 Ų | 26 | 91.3 Ų | 91.3 | 27% | 0.268 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D40 | D40-G42 PolarHBondContact O-N 3.23Å |
| 43 | S | 55.3 | Low | 58.2 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.6 | -37.5 | -179.3 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | D40 R45 V46 L47 | D40-S43 PolarHBondContact O-N 2.81Å; D40-S43 PolarHBondContact O-OG 3.49Å; S43-R45 VanDerWaalsContact C-N 3.27Å; S43-R45 PolarHBondContact O-N 2.9Å; S43-V46 PolarHBondContact O-N 3.46Å; S43-V46 VanDerWaalsContact O-N 3.13Å; S43-L47 PolarHBondContact O-N 3.29Å; S43-L47 VanDerWaalsContact O-N 3.08Å |
| 44 | A | 58.7 | Low | 58.9 | Low | 34 Ų | 34 | 85.1 Ų | 85.1 | 28% | 0.281 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V46 L47 V48 | A44-V46 PolarHBondContact O-N 3.43Å; A44-L47 PolarHBondContact O-N 3.31Å; A44-V48 WeakPolarHBondContact O-CB 3.43Å; A44-V48 VanDerWaalsContact O-CG2 3.26Å; A44-V48 WeakPolarHBondContact O-CG2 3.45Å; A44-V48 PolarHBondContact O-N 3.49Å |
| 45 | R | 61.2 | Low | 59.6 | Low | 19 Ų | 19 | 85.7 Ų | 85.7 | 7% | 0.072 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.2 | -173.5 | -173 | 61.5 | -176.7 | -2.4 | 112.4 | F17 L41 S43 V49 N184 | F17-R45 HydrophobicContact CE1-CB 4.05Å; F17-R45 HydrophobicContact CE1-CG 4.46Å; F17-R45 HydrophobicContact CE2-CB 4.25Å; F17-R45 HydrophobicContact CE2-CG 3.99Å; F17-R45 HydrophobicContact CZ-CB 3.63Å; F17-R45 HydrophobicContact CZ-CG 3.89Å; L41-R45 PolarHBondContact O-N 3.27Å; S43-R45 VanDerWaalsContact C-N 3.27Å; S43-R45 PolarHBondContact O-N 2.9Å; R45-V49 VanDerWaalsContact O-CG2 3.27Å; R45-V49 WeakPolarHBondContact O-CG2 3.42Å; R45-V49 PolarHBondContact O-N 2.83Å; R45-N184 VanDerWaalsContact NH1-CG 3.27Å; R45-N184 PolarHBondContact NH1-ND2 2.92Å; R45-N184 PolarHBondContact NH1-OD1 3.4Å |
| 46 | V | 61.1 | Low | 60 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | -178.9 | -180 | 0 | 0 | 0 | 0 | 110.3 | S43 A44 V49 M50 W143 | S43-V46 PolarHBondContact O-N 3.46Å; S43-V46 VanDerWaalsContact O-N 3.13Å; A44-V46 PolarHBondContact O-N 3.43Å; V46-V49 PolarHBondContact O-N 3.18Å; V46-M50 VanDerWaalsContact O-CB 3.31Å; V46-M50 WeakPolarHBondContact O-CB 3.48Å; V46-M50 PolarHBondContact O-N 2.92Å; V46-W143 HydrophobicContact CG2-CE3 4.39Å; V46-W143 HydrophobicContact CG2-CZ3 4.07Å |
| 47 | L | 63.8 | Low | 60.5 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 56% | 0.555 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 177.5 | -172.3 | 134 | 0 | 0 | 0 | 111.9 | S43 A44 V49 M50 I51 | S43-L47 PolarHBondContact O-N 3.29Å; S43-L47 VanDerWaalsContact O-N 3.08Å; A44-L47 PolarHBondContact O-N 3.31Å; L47-V49 PolarHBondContact O-N 3.38Å; L47-M50 PolarHBondContact O-N 2.96Å; L47-I51 HydrophobicContact CD2-CD1 3.49Å; L47-I51 VanDerWaalsContact CD2-CD1 3.49Å; L47-I51 HydrophobicContact CD2-CG1 4.47Å; L47-I51 HydrophobicContact CG-CD1 4.13Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 3.16Å |
| 48 | V | 62.8 | Low | 61.1 | Low | 80 Ų | 80 | 79 Ų | 79 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | A44 F52 | A44-V48 WeakPolarHBondContact O-CB 3.43Å; A44-V48 VanDerWaalsContact O-CG2 3.26Å; A44-V48 WeakPolarHBondContact O-CG2 3.45Å; A44-V48 PolarHBondContact O-N 3.49Å; V48-F52 WeakPolarHBondContact O-CB 2.95Å; V48-F52 PolarHBondContact O-N 3.27Å |
| 49 | V | 62.1 | Low | 61.5 | Low | 40 Ų | 40 | 72 Ų | 72 | 24% | 0.242 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | R45 V46 L47 F52 V53 V187 | R45-V49 VanDerWaalsContact O-CG2 3.27Å; R45-V49 WeakPolarHBondContact O-CG2 3.42Å; R45-V49 PolarHBondContact O-N 2.83Å; V46-V49 PolarHBondContact O-N 3.18Å; L47-V49 PolarHBondContact O-N 3.38Å; V49-F52 PolarHBondContact O-N 2.67Å; V49-V53 HydrophobicContact CG1-CG2 4.27Å; V49-V53 WeakPolarHBondContact O-CB 3.47Å; V49-V53 VanDerWaalsContact O-CG2 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 3.12Å; V49-V187 HydrophobicContact CG1-CG2 4.41Å; V49-V187 HydrophobicContact CG2-CG1 3.86Å; V49-V187 HydrophobicContact CG2-CG2 4.26Å |
| 50 | M | 64.4 | Low | 61.8 | Low | 133 Ų | 133 | 67.5 Ų | 67.5 | 66% | 0.655 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 179.6 | -167.9 | -171.9 | -66.8 | 0 | 0 | 111.9 | V46 L47 F52 V53 G54 | V46-M50 VanDerWaalsContact O-CB 3.31Å; V46-M50 WeakPolarHBondContact O-CB 3.48Å; V46-M50 PolarHBondContact O-N 2.92Å; L47-M50 PolarHBondContact O-N 2.96Å; M50-F52 VanDerWaalsContact C-N 3.3Å; M50-F52 PolarHBondContact O-N 3Å; M50-V53 PolarHBondContact O-N 2.98Å; M50-G54 PolarHBondContact O-N 2.96Å |
| 51 | I | 69.4 | Low | 62.2 | Low | 112 Ų | 112 | 65.8 Ų | 65.8 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 174.3 | -68.5 | 169.7 | 0 | 0 | 0 | 110.1 | L47 G54 F55 | L47-I51 HydrophobicContact CD2-CD1 3.49Å; L47-I51 VanDerWaalsContact CD2-CD1 3.49Å; L47-I51 HydrophobicContact CD2-CG1 4.47Å; L47-I51 HydrophobicContact CG-CD1 4.13Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 3.16Å; I51-G54 PolarHBondContact O-N 2.94Å; I51-F55 WeakPolarHBondContact O-CB 3.46Å; I51-F55 PolarHBondContact O-N 3.36Å |
| 52 | F | 61.8 | Low | 62.5 | Low | 48 Ų | 48 | 65.9 Ų | 65.9 | 21% | 0.211 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | -179.7 | -164.1 | -97.5 | 0 | 0 | 0 | 112.6 | L5 V48 V49 M50 F55 R56 | L5-F52 HydrophobicContact CB-CE2 3.89Å; L5-F52 HydrophobicContact CB-CZ 4.12Å; L5-F52 HydrophobicContact CD2-CE2 4.04Å; V48-F52 WeakPolarHBondContact O-CB 2.95Å; V48-F52 PolarHBondContact O-N 3.27Å; V49-F52 PolarHBondContact O-N 2.67Å; M50-F52 VanDerWaalsContact C-N 3.3Å; M50-F52 PolarHBondContact O-N 3Å; F52-F55 PolarHBondContact O-N 2.88Å; F52-R56 HydrophobicContact CD1-CG 4.15Å; F52-R56 HydrophobicContact CE1-CG 4.11Å; F52-R56 WeakPolarHBondContact O-CB 3.46Å; F52-R56 VanDerWaalsContact O-CG 3.24Å; F52-R56 WeakPolarHBondContact O-CG 2.9Å; F52-R56 PolarHBondContact O-N 3.43Å |
| 53 | V | 63.2 | Low | 62.6 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | V49 M50 F55 R56 L57 | V49-V53 HydrophobicContact CG1-CG2 4.27Å; V49-V53 WeakPolarHBondContact O-CB 3.47Å; V49-V53 VanDerWaalsContact O-CG2 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.34Å; V49-V53 PolarHBondContact O-N 3.12Å; M50-V53 PolarHBondContact O-N 2.98Å; V53-F55 PolarHBondContact O-N 2.93Å; V53-R56 PolarHBondContact O-N 2.74Å; V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 HydrophobicContact CG1-CG 4.41Å; V53-L57 WeakPolarHBondContact O-CG 2.92Å; V53-L57 PolarHBondContact O-N 3.44Å |
| 54 | G | 67.6 | Low | 62.8 | Low | 37 Ų | 37 | 69.6 Ų | 69.6 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M50 I51 R56 L57 S58 | M50-G54 PolarHBondContact O-N 2.96Å; I51-G54 PolarHBondContact O-N 2.94Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 3.41Å; G54-L57 PolarHBondContact O-N 2.91Å; G54-S58 WeakPolarHBondContact O-CB 3.47Å; G54-S58 PolarHBondContact O-N 2.84Å |
| 55 | F | 68.3 | Low | 63.3 | Low | 110 Ų | 110 | 74 Ų | 74 | 48% | 0.482 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.7 | -178.1 | -100.3 | 0 | 0 | 0 | 112.5 | L5 I51 F52 V53 S58 T59 | L5-F55 HydrophobicContact CD1-CE1 4.42Å; I51-F55 WeakPolarHBondContact O-CB 3.46Å; I51-F55 PolarHBondContact O-N 3.36Å; F52-F55 PolarHBondContact O-N 2.88Å; V53-F55 PolarHBondContact O-N 2.93Å; F55-S58 PolarHBondContact O-N 2.93Å; F55-T59 HydrophobicContact CD1-CG2 4.49Å; F55-T59 HydrophobicContact CE1-CG2 4.05Å; F55-T59 HydrophobicContact CE2-CG2 4.24Å; F55-T59 HydrophobicContact CZ-CG2 3.92Å; F55-T59 WeakPolarHBondContact O-CG2 3.45Å; F55-T59 PolarHBondContact O-N 3.26Å; F55-T59 PolarHBondContact O-OG1 3.46Å |
| 56 | R | 60.8 | Low | 63.5 | Low | 40 Ų | 40 | 76 Ų | 76 | 15% | 0.151 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 176 | -73 | -72.2 | -176.2 | 160 | 0.9 | 112.5 | S2 F52 V53 G54 S58 T59 A60 | S2-R56 PolarHBondContact O-NH2 3.48Å; F52-R56 HydrophobicContact CD1-CG 4.15Å; F52-R56 HydrophobicContact CE1-CG 4.11Å; F52-R56 WeakPolarHBondContact O-CB 3.46Å; F52-R56 VanDerWaalsContact O-CG 3.24Å; F52-R56 WeakPolarHBondContact O-CG 2.9Å; F52-R56 PolarHBondContact O-N 3.43Å; V53-R56 PolarHBondContact O-N 2.74Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 3.41Å; R56-S58 VanDerWaalsContact C-N 3.35Å; R56-T59 WeakPolarHBondContact CA-OG1 3.42Å; R56-T59 PolarHBondContact O-N 3.43Å; R56-T59 PolarHBondContact O-OG1 2.94Å; R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 3.01Å |
| 57 | L | 64.1 | Low | 63.5 | Low | 123 Ų | 123 | 80.6 Ų | 80.6 | 64% | 0.644 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 175.7 | -70.7 | 172.1 | 0 | 0 | 0 | 111.3 | V53 G54 T59 A60 | V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 HydrophobicContact CG1-CG 4.41Å; V53-L57 WeakPolarHBondContact O-CG 2.92Å; V53-L57 PolarHBondContact O-N 3.44Å; G54-L57 PolarHBondContact O-N 2.91Å; L57-T59 PolarHBondContact O-N 3.46Å; L57-A60 PolarHBondContact O-N 3.45Å |
| 58 | S | 67.7 | Low | 63.8 | Low | 87 Ų | 87 | 80.8 Ų | 80.8 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | G54 F55 R56 P62 | G54-S58 WeakPolarHBondContact O-CB 3.47Å; G54-S58 PolarHBondContact O-N 2.84Å; F55-S58 PolarHBondContact O-N 2.93Å; R56-S58 VanDerWaalsContact C-N 3.35Å; S58-P62 WeakPolarHBondContact O-CD 3.47Å |
| 59 | T | 60.5 | Low | 64.5 | Low | 51 Ų | 51 | 80.9 Ų | 80.9 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.3 | -20.2 | 178.7 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | F55 R56 L57 P62 C63 | F55-T59 HydrophobicContact CD1-CG2 4.49Å; F55-T59 HydrophobicContact CE1-CG2 4.05Å; F55-T59 HydrophobicContact CE2-CG2 4.24Å; F55-T59 HydrophobicContact CZ-CG2 3.92Å; F55-T59 WeakPolarHBondContact O-CG2 3.45Å; F55-T59 PolarHBondContact O-N 3.26Å; F55-T59 PolarHBondContact O-OG1 3.46Å; R56-T59 WeakPolarHBondContact CA-OG1 3.42Å; R56-T59 PolarHBondContact O-N 3.43Å; R56-T59 PolarHBondContact O-OG1 2.94Å; L57-T59 PolarHBondContact O-N 3.46Å; T59-P62 WeakPolarHBondContact O-CD 2.94Å; T59-P62 WeakPolarHBondContact O-CG 3.41Å; T59-C63 WeakPolarHBondContact O-CB 3.33Å; T59-C63 PolarHBondContact O-N 3.21Å |
| 60 | A | 58.3 | Low | 64.8 | Low | 51 Ų | 51 | 83.2 Ų | 83.2 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R56 L57 C63 L64 | R56-A60 WeakPolarHBondContact O-CB 3.34Å; R56-A60 PolarHBondContact O-N 3.01Å; L57-A60 PolarHBondContact O-N 3.45Å; A60-C63 PolarHBondContact O-N 2.97Å; A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 3.36Å |
| 61 | G | 63.8 | Low | 64.9 | Low | 41 Ų | 41 | 79 Ų | 79 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.2 | -61.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C63 L64 Q65 | G61-C63 VanDerWaalsContact C-N 3.25Å; G61-C63 PolarHBondContact O-N 3.16Å; G61-L64 PolarHBondContact O-N 3.04Å; G61-Q65 PolarHBondContact O-N 2.91Å |
| 62 | P | 61.9 | Low | 64.9 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -30.7 | -179.5 | 23.6 | -32.6 | 0 | 0 | 0 | 112.4 | S58 T59 Q65 A66 | S58-P62 WeakPolarHBondContact O-CD 3.47Å; T59-P62 WeakPolarHBondContact O-CD 2.94Å; T59-P62 WeakPolarHBondContact O-CG 3.41Å; P62-Q65 PolarHBondContact O-N 2.77Å; P62-A66 WeakPolarHBondContact O-CB 3.41Å; P62-A66 PolarHBondContact O-N 2.92Å |
| 63 | C | 58 | Low | 65.5 | Low | 62 Ų | 62 | 83.1 Ų | 83.1 | 42% | 0.419 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 174.8 | -165.9 | 0 | 0 | 0 | 0 | 111.2 | T59 A60 G61 Q65 A66 Y67 | T59-C63 WeakPolarHBondContact O-CB 3.33Å; T59-C63 PolarHBondContact O-N 3.21Å; A60-C63 PolarHBondContact O-N 2.97Å; G61-C63 VanDerWaalsContact C-N 3.25Å; G61-C63 PolarHBondContact O-N 3.16Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 3.27Å; C63-A66 PolarHBondContact O-N 2.97Å; C63-Y67 WeakPolarHBondContact O-CD2 3.33Å; C63-Y67 PolarHBondContact O-N 3.38Å; C63-Y67 WeakPolarHBondContact SG-CE2 3.48Å |
| 64 | L | 59.9 | Low | 65.8 | Low | 105 Ų | 105 | 85.1 Ų | 85.1 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177 | -171.9 | 68.3 | 0 | 0 | 0 | 111.6 | A60 G61 Y67 L68 | A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 3.36Å; G61-L64 PolarHBondContact O-N 3.04Å; L64-Y67 PolarHBondContact O-N 2.77Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.43Å |
| 65 | Q | 67.6 | Low | 65.9 | Low | 127 Ų | 127 | 88.8 Ų | 88.8 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 177.5 | -167.4 | 174.1 | 4.2 | 0 | 0 | 112.1 | G61 P62 C63 L68 N69 | G61-Q65 PolarHBondContact O-N 2.91Å; P62-Q65 PolarHBondContact O-N 2.77Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 3.27Å; Q65-L68 PolarHBondContact O-N 3.47Å; Q65-N69 WeakPolarHBondContact O-CB 3.43Å; Q65-N69 PolarHBondContact O-N 2.74Å |
| 66 | A | 66.7 | Low | 66.2 | Low | 60 Ų | 60 | 85.9 Ų | 85.9 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | P62 C63 N69 L70 | P62-A66 WeakPolarHBondContact O-CB 3.41Å; P62-A66 PolarHBondContact O-N 2.92Å; C63-A66 PolarHBondContact O-N 2.97Å; A66-N69 PolarHBondContact O-N 3.26Å; A66-L70 WeakPolarHBondContact O-CB 3.08Å; A66-L70 PolarHBondContact O-N 2.88Å |
| 67 | Y | 61.4 | Low | 66.8 | Low | 136 Ų | 136 | 90.2 Ų | 90.2 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.3 | -82.4 | -68.1 | 0 | 0 | 0 | 112.3 | C63 L64 L70 A71 | C63-Y67 WeakPolarHBondContact O-CD2 3.33Å; C63-Y67 PolarHBondContact O-N 3.38Å; C63-Y67 WeakPolarHBondContact SG-CE2 3.48Å; L64-Y67 PolarHBondContact O-N 2.77Å; Y67-L70 PolarHBondContact O-N 2.89Å; Y67-A71 PolarHBondContact O-N 2.9Å |
| 68 | L | 70.1 | Confident | 66.9 | Low | 109 Ų | 109 | 88.5 Ų | 88.5 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 177.8 | -157 | 78.7 | 0 | 0 | 0 | 111.1 | L64 Q65 L70 A71 I72 | L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 3.43Å; Q65-L68 PolarHBondContact O-N 3.47Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.36Å; L68-A71 WeakPolarHBondContact O-CB 3.19Å; L68-A71 PolarHBondContact O-N 3.31Å; L68-A71 VanDerWaalsContact O-N 3.16Å; L68-I72 HydrophobicContact CG-CD1 4.42Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.86Å |
| 69 | N | 76 | Confident | 67 | Low | 82 Ų | 82 | 94.3 Ų | 94.3 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 175 | -77.2 | -16.1 | 0 | 0 | 0 | 112 | Q65 A66 K73 | Q65-N69 WeakPolarHBondContact O-CB 3.43Å; Q65-N69 PolarHBondContact O-N 2.74Å; A66-N69 PolarHBondContact O-N 3.26Å; N69-K73 VanDerWaalsContact O-CG 3.3Å; N69-K73 WeakPolarHBondContact O-CG 3.37Å; N69-K73 PolarHBondContact O-N 2.88Å |
| 70 | L | 70.2 | Confident | 67.5 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 174.8 | -167.4 | 72.1 | 0 | 0 | 0 | 111.7 | A66 Y67 L68 K73 K74 | A66-L70 WeakPolarHBondContact O-CB 3.08Å; A66-L70 PolarHBondContact O-N 2.88Å; Y67-L70 PolarHBondContact O-N 2.89Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.36Å; L70-K73 PolarHBondContact O-N 3.13Å; L70-K74 WeakPolarHBondContact O-CG 3.43Å; L70-K74 PolarHBondContact O-N 3.01Å |
| 71 | A | 66.3 | Low | 67.9 | Low | 44 Ų | 44 | 98.6 Ų | 98.6 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y67 L68 K73 K74 I75 | Y67-A71 PolarHBondContact O-N 2.9Å; L68-A71 WeakPolarHBondContact O-CB 3.19Å; L68-A71 PolarHBondContact O-N 3.31Å; L68-A71 VanDerWaalsContact O-N 3.16Å; A71-K73 PolarHBondContact O-N 3.32Å; A71-K74 PolarHBondContact O-N 3.44Å; A71-I75 WeakPolarHBondContact O-CG1 3.26Å; A71-I75 PolarHBondContact O-N 3.35Å |
| 72 | I | 69 | Low | 67.6 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.1 | -66.2 | 164.3 | 0 | 0 | 0 | 110.6 | L68 K74 I75 A76 | L68-I72 HydrophobicContact CG-CD1 4.42Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.86Å; I72-K74 VanDerWaalsContact C-N 3.34Å; I72-K74 PolarHBondContact O-N 2.91Å; I72-I75 PolarHBondContact O-N 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.29Å; I72-A76 PolarHBondContact O-N 2.83Å |
| 73 | K | 73.7 | Confident | 67.7 | Low | 150 Ų | 150 | 99.2 Ų | 99.2 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 175.8 | -74.6 | 176.5 | -178.4 | -174.1 | 0 | 112.5 | N69 L70 A71 A76 K77 | N69-K73 VanDerWaalsContact O-CG 3.3Å; N69-K73 WeakPolarHBondContact O-CG 3.37Å; N69-K73 PolarHBondContact O-N 2.88Å; L70-K73 PolarHBondContact O-N 3.13Å; A71-K73 PolarHBondContact O-N 3.32Å; K73-A76 PolarHBondContact O-N 3.43Å; K73-K77 PolarHBondContact O-N 3.25Å |
| 74 | K | 70.3 | Confident | 67.9 | Low | 109 Ų | 109 | 105.8 Ų | 105.8 | 47% | 0.474 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -42.2 | 176.1 | -75.2 | -171.5 | 177.6 | -169.5 | 0 | 112 | L70 A71 I72 A76 K77 L78 | L70-K74 WeakPolarHBondContact O-CG 3.43Å; L70-K74 PolarHBondContact O-N 3.01Å; A71-K74 PolarHBondContact O-N 3.44Å; I72-K74 VanDerWaalsContact C-N 3.34Å; I72-K74 PolarHBondContact O-N 2.91Å; K74-A76 VanDerWaalsContact C-N 3.32Å; K74-A76 PolarHBondContact O-N 3.45Å; K74-K77 PolarHBondContact O-N 2.91Å; K74-L78 WeakPolarHBondContact O-CB 3Å; K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.44Å |
| 75 | I | 70.2 | Confident | 67.9 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 175.1 | -67.2 | 165.2 | 0 | 0 | 0 | 110.5 | A71 I72 L78 R79 | A71-I75 WeakPolarHBondContact O-CG1 3.26Å; A71-I75 PolarHBondContact O-N 3.35Å; I72-I75 PolarHBondContact O-N 3.3Å; I75-L78 PolarHBondContact O-N 2.84Å; I75-R79 WeakPolarHBondContact O-CB 3.16Å; I75-R79 PolarHBondContact O-N 3.21Å |
| 76 | A | 73.6 | Confident | 67.7 | Low | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I72 K73 K74 R79 T80 | I72-A76 WeakPolarHBondContact O-CB 3.29Å; I72-A76 PolarHBondContact O-N 2.83Å; K73-A76 PolarHBondContact O-N 3.43Å; K74-A76 VanDerWaalsContact C-N 3.32Å; K74-A76 PolarHBondContact O-N 3.45Å; A76-R79 WeakPolarHBondContact O-CB 3.48Å; A76-R79 PolarHBondContact O-N 3.13Å; A76-T80 PolarHBondContact O-N 3.23Å; A76-T80 PolarHBondContact O-OG1 3.48Å |
| 77 | K | 73.1 | Confident | 67.4 | Low | 131 Ų | 131 | 105.1 Ų | 105.1 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -45.2 | 175.2 | -173.4 | 176 | 176.3 | 179.4 | 0 | 111.8 | K73 K74 R79 T80 E81 | K73-K77 PolarHBondContact O-N 3.25Å; K74-K77 PolarHBondContact O-N 2.91Å; K77-R79 VanDerWaalsContact C-N 3.28Å; K77-R79 PolarHBondContact O-N 3.17Å; K77-T80 WeakPolarHBondContact CA-OG1 3.27Å; K77-T80 PolarHBondContact O-N 3.42Å; K77-T80 PolarHBondContact O-OG1 2.78Å; K77-E81 WeakPolarHBondContact CE-OE1 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.44Å; K77-E81 PolarHBondContact O-N 3.17Å |
| 78 | L | 66.6 | Low | 67.4 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -36.8 | 174 | -72.9 | 169 | 0 | 0 | 0 | 111.6 | K74 I75 E81 A82 | K74-L78 WeakPolarHBondContact O-CB 3Å; K74-L78 WeakPolarHBondContact O-CG 3.38Å; K74-L78 PolarHBondContact O-N 3.44Å; I75-L78 PolarHBondContact O-N 2.84Å; L78-E81 PolarHBondContact O-N 2.77Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 3.34Å |
| 79 | R | 69.5 | Low | 67.1 | Low | 208 Ų | 208 | 106 Ų | 106 | 79% | 0.785 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -38.6 | 177.3 | -170.4 | 175.7 | -175.5 | 167.8 | 1.8 | 112.5 | I75 A76 K77 E81 A82 | I75-R79 WeakPolarHBondContact O-CB 3.16Å; I75-R79 PolarHBondContact O-N 3.21Å; A76-R79 WeakPolarHBondContact O-CB 3.48Å; A76-R79 PolarHBondContact O-N 3.13Å; K77-R79 VanDerWaalsContact C-N 3.28Å; K77-R79 PolarHBondContact O-N 3.17Å; R79-E81 VanDerWaalsContact C-N 3.33Å; R79-A82 PolarHBondContact O-N 3.44Å |
| 80 | T | 70.7 | Confident | 66.4 | Low | 111 Ų | 111 | 106.2 Ų | 106.2 | 68% | 0.681 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.8 | -33.6 | 174.9 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | A76 K77 | A76-T80 PolarHBondContact O-N 3.23Å; A76-T80 PolarHBondContact O-OG1 3.48Å; K77-T80 WeakPolarHBondContact CA-OG1 3.27Å; K77-T80 PolarHBondContact O-N 3.42Å; K77-T80 PolarHBondContact O-OG1 2.78Å |
| 81 | E | 67.5 | Low | 65.8 | Low | 82 Ų | 82 | 107.3 Ų | 107.3 | 38% | 0.383 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.5 | -28.7 | 176 | -69 | 173.9 | -167.7 | 0 | 0 | 112.1 | K77 L78 R79 G83 K84 I85 | K77-E81 WeakPolarHBondContact CE-OE1 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.44Å; K77-E81 PolarHBondContact O-N 3.17Å; L78-E81 PolarHBondContact O-N 2.77Å; R79-E81 VanDerWaalsContact C-N 3.33Å; E81-G83 PolarHBondContact O-N 2.95Å; E81-K84 CarbonylContact O-C 3.57Å; E81-K84 WeakPolarHBondContact O-CA 3.13Å; E81-K84 PolarHBondContact O-N 2.7Å; E81-I85 HydrophobicContact CB-CD1 4.13Å; E81-I85 WeakPolarHBondContact O-CB 3.5Å; E81-I85 PolarHBondContact O-N 3.41Å; E81-I85 VanDerWaalsContact O-N 3.13Å |
| 82 | A | 58.3 | Low | 65.6 | Low | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -21.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L78 R79 K84 | L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 3.34Å; R79-A82 PolarHBondContact O-N 3.44Å; A82-K84 PolarHBondContact O-N 3.38Å |
| 83 | G | 62.9 | Low | 65.1 | Low | 79 Ų | 79 | 109 Ų | 109 | 81% | 0.814 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -15 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E81 | E81-G83 PolarHBondContact O-N 2.95Š|
| 84 | K | 62.4 | Low | 64.4 | Low | 201 Ų | 201 | 105 Ų | 105 | 87% | 0.874 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -5.2 | -177.4 | -140.7 | 175.7 | -178.2 | 179.8 | 0 | 113.1 | E81 A82 | E81-K84 CarbonylContact O-C 3.57Å; E81-K84 WeakPolarHBondContact O-CA 3.13Å; E81-K84 PolarHBondContact O-N 2.7Å; A82-K84 PolarHBondContact O-N 3.38Å |
| 85 | I | 60.2 | Low | 63.5 | Low | 77 Ų | 77 | 102.9 Ų | 102.9 | 40% | 0.395 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -113.2 | 123.9 | -173.1 | -90.8 | 162.5 | 0 | 0 | 0 | 109.6 | E81 D89 | E81-I85 HydrophobicContact CB-CD1 4.13Å; E81-I85 WeakPolarHBondContact O-CB 3.5Å; E81-I85 PolarHBondContact O-N 3.41Å; E81-I85 VanDerWaalsContact O-N 3.13Å; I85-D89 HydrophobicContact CG2-CB 3.91Å |
| 86 | S | 62.4 | Low | 62.8 | Low | 73 Ų | 73 | 99.6 Ų | 99.6 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | trans | -62.8 | 145.4 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | K88 D89 | S86-K88 PolarHBondContact O-N 2.8Å; S86-D89 PolarHBondContact O-N 3.5Å | ||
| 87 | N | 61.5 | Low | 61.8 | Low | 128 Ų | 128 | 99.3 Ų | 99.3 | 68% | 0.684 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -51.3 | -21.4 | 174.4 | -78.5 | -67.4 | 0 | 0 | 0 | 113.4 | N91 | N87-N91 PolarHBondContact O-N 2.69Å; N87-N91 VanDerWaalsContact O-N 3.08Å |
| 88 | K | 62 | Low | 60.4 | Low | 170 Ų | 170 | 100 Ų | 100 | 74% | 0.739 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 171.7 | -84.6 | -175.5 | 174.2 | 179.1 | 0 | 113.3 | S86 N91 A92 | S86-K88 PolarHBondContact O-N 2.8Å; K88-N91 PolarHBondContact O-N 3.32Å; K88-A92 VanDerWaalsContact O-CB 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.3Å; K88-A92 PolarHBondContact O-N 2.87Å |
| 89 | D | 63.3 | Low | 59.5 | Low | 92 Ų | 92 | 104.6 Ų | 104.6 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.9 | -29.2 | -178.8 | -57.9 | -38.3 | 0 | 0 | 0 | 111.4 | I85 S86 A92 Y93 | I85-D89 HydrophobicContact CG2-CB 3.91Å; S86-D89 PolarHBondContact O-N 3.5Å; D89-A92 CarbonylContact O-C 3.59Å; D89-A92 PolarHBondContact O-N 2.93Å; D89-Y93 WeakPolarHBondContact O-CB 3.31Å; D89-Y93 PolarHBondContact O-N 3.5Å |
| 90 | L | 61.3 | Low | 58.3 | Low | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.2 | -44.1 | 171 | -169.2 | 68.8 | 0 | 0 | 0 | 110.7 | Y93 V94 | L90-Y93 PolarHBondContact O-N 3.23Å; L90-V94 WeakPolarHBondContact O-CB 3.23Å; L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.49Å; L90-V94 PolarHBondContact O-N 3.43Å |
| 91 | N | 56.5 | Low | 57.2 | Low | 112 Ų | 112 | 101.6 Ų | 101.6 | 60% | 0.599 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 173.6 | -81.5 | -11.9 | 0 | 0 | 0 | 112.4 | N87 K88 S95 | N87-N91 PolarHBondContact O-N 2.69Å; N87-N91 VanDerWaalsContact O-N 3.08Å; K88-N91 PolarHBondContact O-N 3.32Å; N91-S95 WeakPolarHBondContact O-CB 3.37Å; N91-S95 PolarHBondContact O-N 2.92Å; N91-S95 PolarHBondContact O-OG 3.49Å |
| 92 | A | 62.2 | Low | 56.2 | Low | 48 Ų | 48 | 107.9 Ų | 107.9 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.3 | -34.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K88 D89 S95 S96 | K88-A92 VanDerWaalsContact O-CB 3.32Å; K88-A92 WeakPolarHBondContact O-CB 3.3Å; K88-A92 PolarHBondContact O-N 2.87Å; D89-A92 CarbonylContact O-C 3.59Å; D89-A92 PolarHBondContact O-N 2.93Å; A92-S95 WeakPolarHBondContact CA-OG 3.39Å; A92-S95 PolarHBondContact O-OG 2.9Å; A92-S96 WeakPolarHBondContact O-CB 3.24Å; A92-S96 PolarHBondContact O-N 2.87Å; A92-S96 PolarHBondContact O-OG 3.23Å |
| 93 | Y | 59.5 | Low | 55.7 | Low | 127 Ų | 127 | 109 Ų | 109 | 50% | 0.498 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.1 | -43 | 177 | -171.6 | -95 | 0 | 0 | 0 | 111.5 | D89 L90 S96 T97 | D89-Y93 WeakPolarHBondContact O-CB 3.31Å; D89-Y93 PolarHBondContact O-N 3.5Å; L90-Y93 PolarHBondContact O-N 3.23Å; Y93-S96 WeakPolarHBondContact CA-OG 3.24Å; Y93-S96 PolarHBondContact O-OG 2.98Å; Y93-S96 VanDerWaalsContact O-OG 3.12Å; Y93-T97 WeakPolarHBondContact O-CB 3.43Å; Y93-T97 PolarHBondContact O-N 3.32Å; Y93-T97 PolarHBondContact O-OG1 2.78Å |
| 94 | V | 58.1 | Low | 55 | Low | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L90 T97 L98 | L90-V94 WeakPolarHBondContact O-CB 3.23Å; L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.49Å; L90-V94 PolarHBondContact O-N 3.43Å; V94-T97 PolarHBondContact O-N 3.42Å; V94-L98 HydrophobicContact CG1-CD1 3.96Å; V94-L98 WeakPolarHBondContact O-CB 3.18Å; V94-L98 PolarHBondContact O-N 2.86Å |
| 95 | S | 51.9 | Low | 54.4 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -35.3 | 175.6 | 61.1 | 0 | 0 | 0 | 0 | 113 | N91 A92 T97 L98 F99 | N91-S95 WeakPolarHBondContact O-CB 3.37Å; N91-S95 PolarHBondContact O-N 2.92Å; N91-S95 PolarHBondContact O-OG 3.49Å; A92-S95 WeakPolarHBondContact CA-OG 3.39Å; A92-S95 PolarHBondContact O-OG 2.9Å; S95-T97 VanDerWaalsContact C-N 3.33Å; S95-L98 PolarHBondContact O-N 3.28Å; S95-F99 WeakPolarHBondContact O-CA 3.48Å; S95-F99 WeakPolarHBondContact O-CB 3.27Å; S95-F99 PolarHBondContact O-N 3.48Å |
| 96 | S | 55.7 | Low | 54.1 | Low | 44 Ų | 44 | 98.9 Ų | 98.9 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -27.5 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | A92 Y93 R100 | A92-S96 WeakPolarHBondContact O-CB 3.24Å; A92-S96 PolarHBondContact O-N 2.87Å; A92-S96 PolarHBondContact O-OG 3.23Å; Y93-S96 WeakPolarHBondContact CA-OG 3.24Å; Y93-S96 PolarHBondContact O-OG 2.98Å; Y93-S96 VanDerWaalsContact O-OG 3.12Å; S96-R100 WeakPolarHBondContact O-CB 2.86Å; S96-R100 PolarHBondContact O-N 3.09Å |
| 97 | T | 52.8 | Low | 53.6 | Low | 44 Ų | 44 | 98.9 Ų | 98.9 | 27% | 0.27 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74 | -34 | 173.6 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | Y93 V94 S95 | Y93-T97 WeakPolarHBondContact O-CB 3.43Å; Y93-T97 PolarHBondContact O-N 3.32Å; Y93-T97 PolarHBondContact O-OG1 2.78Å; V94-T97 PolarHBondContact O-N 3.42Å; S95-T97 VanDerWaalsContact C-N 3.33Å |
| 98 | L | 44.1 | Very low | 53.2 | Low | 146 Ų | 146 | 96.3 Ų | 96.3 | 76% | 0.764 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -89.5 | -23.2 | 178.2 | -92.6 | 144.7 | 0 | 0 | 0 | 114.4 | V94 S95 | V94-L98 HydrophobicContact CG1-CD1 3.96Å; V94-L98 WeakPolarHBondContact O-CB 3.18Å; V94-L98 PolarHBondContact O-N 2.86Å; S95-L98 PolarHBondContact O-N 3.28Å |
| 99 | F | 47 | Very low | 52.8 | Low | 184 Ų | 184 | 93.2 Ų | 93.2 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -122.4 | 0.8 | -168.8 | -143.8 | -96.1 | 0 | 0 | 0 | 115.1 | S95 P101 | S95-F99 WeakPolarHBondContact O-CA 3.48Å; S95-F99 WeakPolarHBondContact O-CB 3.27Å; S95-F99 PolarHBondContact O-N 3.48Å; F99-P101 VanDerWaalsContact O-CD 3.24Å; F99-P101 WeakPolarHBondContact O-CD 2.95Å |
| 100 | R | 43.7 | Very low | 52.5 | Low | 158 Ų | 158 | 90.9 Ų | 90.9 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | trans | -102.2 | 101 | 175.6 | -164.4 | 166.7 | 157.5 | 172.3 | -8.2 | 110.6 | S96 Y102 | S96-R100 WeakPolarHBondContact O-CB 2.86Å; S96-R100 PolarHBondContact O-N 3.09Å; R100-Y102 PolarHBondContact O-N 3.24Å | ||
| 101 | P | 47.6 | Very low | 52.3 | Low | 97 Ų | 97 | 91.5 Ų | 91.5 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 8.4 | -169.9 | 22 | -30.5 | 0 | 0 | 0 | 116.7 | F99 | F99-P101 VanDerWaalsContact O-CD 3.24Å; F99-P101 WeakPolarHBondContact O-CD 2.95Å |
| 102 | Y | 47.7 | Very low | 52.3 | Low | 215 Ų | 215 | 94.5 Ų | 94.5 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.9 | -2.2 | -171.1 | -78 | -80.7 | 0 | 0 | 0 | 117.5 | R100 | R100-Y102 PolarHBondContact O-N 3.24Š|
| 103 | S | 46.2 | Very low | 52.2 | Low | 74 Ų | 74 | 97 Ų | 97 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | -22.7 | -172.6 | -166.3 | 0 | 0 | 0 | 0 | 117.4 | ||
| 104 | S | 49.8 | Very low | 52.1 | Low | 29 Ų | 29 | 93.5 Ų | 93.5 | 20% | 0.203 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -120.2 | -9 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | S106 | S104-S106 PolarHBondContact O-N 3.42Š|
| 105 | T | 49.3 | Very low | 52.1 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 36% | 0.362 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -31.3 | 173.3 | -0.6 | 0 | 0 | 0 | 0 | 111.3 | I107 T108 L109 | T105-I107 PolarHBondContact O-N 2.92Å; T105-T108 PolarHBondContact O-N 2.94Å; T105-L109 HydrophobicContact CG2-CD1 4.09Å; T105-L109 WeakPolarHBondContact O-CA 3.28Å; T105-L109 WeakPolarHBondContact O-CB 3.26Å; T105-L109 PolarHBondContact O-N 3.2Å |
| 106 | S | 52.6 | Low | 52.4 | Low | 58 Ų | 58 | 94 Ų | 94 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | -172.5 | -45 | 0 | 0 | 0 | 0 | 114.1 | S104 L110 | S104-S106 PolarHBondContact O-N 3.42Å; S106-L110 WeakPolarHBondContact O-CB 3.3Å; S106-L110 PolarHBondContact O-N 3.32Å |
| 107 | I | 53.2 | Low | 52.5 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.2 | -49.5 | -179 | -63.3 | 165.4 | 0 | 0 | 0 | 110.8 | T105 L110 L111 Y204 | T105-I107 PolarHBondContact O-N 2.92Å; I107-L110 PolarHBondContact O-N 3.34Å; I107-L111 HydrophobicContact CG2-CD1 4.3Å; I107-L111 WeakPolarHBondContact O-CB 3.48Å; I107-L111 PolarHBondContact O-N 3.12Å; I107-Y204 WeakPolarHBondContact CG1-OH 2.85Å |
| 108 | T | 52.3 | Low | 52.8 | Low | 73 Ų | 73 | 95.1 Ų | 95.1 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 111 | T105 L111 Y112 | T105-T108 PolarHBondContact O-N 2.94Å; T108-L111 PolarHBondContact O-N 2.82Å; T108-Y112 HydrophobicContact CG2-CD2 4.04Å; T108-Y112 HydrophobicContact CG2-CE2 4.4Å; T108-Y112 WeakPolarHBondContact O-CB 3.35Å; T108-Y112 PolarHBondContact O-N 3.06Å |
| 109 | L | 54.7 | Low | 53.5 | Low | 105 Ų | 105 | 90.5 Ų | 90.5 | 55% | 0.55 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.8 | -33.9 | 177.6 | -153.1 | 149 | 0 | 0 | 0 | 110.7 | T105 F113 | T105-L109 HydrophobicContact CG2-CD1 4.09Å; T105-L109 WeakPolarHBondContact O-CA 3.28Å; T105-L109 WeakPolarHBondContact O-CB 3.26Å; T105-L109 PolarHBondContact O-N 3.2Å; L109-F113 WeakPolarHBondContact O-CA 3.46Å; L109-F113 WeakPolarHBondContact O-CB 3.2Å; L109-F113 PolarHBondContact O-N 3.44Å |
| 110 | L | 56.5 | Low | 54.2 | Low | 43 Ų | 43 | 88.6 Ų | 88.6 | 23% | 0.225 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 169.9 | -171 | 88.7 | 0 | 0 | 0 | 112 | S106 I107 F113 C114 Y204 | S106-L110 WeakPolarHBondContact O-CB 3.3Å; S106-L110 PolarHBondContact O-N 3.32Å; I107-L110 PolarHBondContact O-N 3.34Å; L110-F113 PolarHBondContact O-N 3.36Å; L110-C114 WeakPolarHBondContact O-CB 3.46Å; L110-C114 PolarHBondContact O-N 3.11Å; L110-C114 PolarHBondContact O-SG 2.85Å; L110-Y204 HydrophobicContact CD2-CE1 4.44Å |
| 111 | L | 56.3 | Low | 54.9 | Low | 102 Ų | 102 | 83.7 Ų | 83.7 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 175.2 | -106 | 148.8 | 0 | 0 | 0 | 111.6 | I107 T108 F113 L115 | I107-L111 HydrophobicContact CG2-CD1 4.3Å; I107-L111 WeakPolarHBondContact O-CB 3.48Å; I107-L111 PolarHBondContact O-N 3.12Å; T108-L111 PolarHBondContact O-N 2.82Å; L111-F113 VanDerWaalsContact C-N 3.34Å; L111-L115 HydrophobicContact CD2-CD1 4.49Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.19Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.48Å |
| 112 | Y | 57.8 | Low | 55.3 | Low | 175 Ų | 175 | 88 Ų | 88 | 69% | 0.686 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.8 | -37.3 | 173.3 | -98.9 | -84.4 | 0 | 0 | 0 | 111.9 | T108 A116 | T108-Y112 HydrophobicContact CG2-CD2 4.04Å; T108-Y112 HydrophobicContact CG2-CE2 4.4Å; T108-Y112 WeakPolarHBondContact O-CB 3.35Å; T108-Y112 PolarHBondContact O-N 3.06Å; Y112-A116 WeakPolarHBondContact O-CA 3.3Å; Y112-A116 WeakPolarHBondContact O-CB 3.36Å; Y112-A116 PolarHBondContact O-N 3.47Å |
| 113 | F | 58.8 | Low | 55.8 | Low | 100 Ų | 100 | 82.8 Ų | 82.8 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 177.7 | -171.9 | -117.3 | 0 | 0 | 0 | 111.2 | L109 L110 L111 A116 L117 L197 | L109-F113 WeakPolarHBondContact O-CA 3.46Å; L109-F113 WeakPolarHBondContact O-CB 3.2Å; L109-F113 PolarHBondContact O-N 3.44Å; L110-F113 PolarHBondContact O-N 3.36Å; L111-F113 VanDerWaalsContact C-N 3.34Å; F113-A116 PolarHBondContact O-N 2.87Å; F113-L117 HydrophobicContact CD1-CD1 3.47Å; F113-L117 VanDerWaalsContact CD1-CD1 3.47Å; F113-L117 HydrophobicContact CD2-CD1 4.2Å; F113-L117 HydrophobicContact CD2-CG 4.49Å; F113-L117 HydrophobicContact CE1-CD1 3.41Å; F113-L117 VanDerWaalsContact CE1-CD1 3.41Å; F113-L117 HydrophobicContact CE2-CD1 4.11Å; F113-L117 HydrophobicContact CE2-CG 4.43Å; F113-L117 HydrophobicContact CG-CD1 3.89Å; F113-L117 HydrophobicContact CZ-CD1 3.72Å; F113-L117 HydrophobicContact CZ-CG 4.44Å; F113-L117 WeakPolarHBondContact O-CB 3.39Å; F113-L117 VanDerWaalsContact O-CD1 3.29Å; F113-L117 WeakPolarHBondContact O-CD1 3.06Å; F113-L117 WeakPolarHBondContact O-CG 3.42Å; F113-L117 PolarHBondContact O-N 2.86Å; F113-L197 HydrophobicContact CD1-CD2 4Å; F113-L197 HydrophobicContact CE1-CD2 3.5Å; F113-L197 VanDerWaalsContact CE1-CD2 3.5Å; F113-L197 HydrophobicContact CZ-CD2 4.46Å |
| 114 | C | 57.6 | Low | 56.6 | Low | 54 Ų | 54 | 86.1 Ų | 86.1 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 173.6 | -77.9 | 0 | 0 | 0 | 0 | 111.9 | L110 L117 I118 | L110-C114 WeakPolarHBondContact O-CB 3.46Å; L110-C114 PolarHBondContact O-N 3.11Å; L110-C114 PolarHBondContact O-SG 2.85Å; C114-L117 PolarHBondContact O-N 3.39Å; C114-I118 WeakPolarHBondContact O-CB 3.44Å; C114-I118 WeakPolarHBondContact O-CD1 3.36Å; C114-I118 WeakPolarHBondContact O-CG1 3.15Å; C114-I118 PolarHBondContact O-N 2.82Å |
| 115 | L | 58.9 | Low | 57.1 | Low | 100 Ų | 100 | 89 Ų | 89 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 175.3 | -73.8 | 170.6 | 0 | 0 | 0 | 111.8 | L111 L117 I118 A119 | L111-L115 HydrophobicContact CD2-CD1 4.49Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.19Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.48Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 PolarHBondContact O-N 2.97Å; L115-I118 PolarHBondContact O-N 2.61Å; L115-A119 VanDerWaalsContact O-CB 3.27Å; L115-A119 WeakPolarHBondContact O-CB 3.08Å; L115-A119 PolarHBondContact O-N 2.89Å |
| 116 | A | 58 | Low | 57.4 | Low | 41 Ų | 41 | 88.5 Ų | 88.5 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y112 F113 A119 Y120 | Y112-A116 WeakPolarHBondContact O-CA 3.3Å; Y112-A116 WeakPolarHBondContact O-CB 3.36Å; Y112-A116 PolarHBondContact O-N 3.47Å; F113-A116 PolarHBondContact O-N 2.87Å; A116-A119 PolarHBondContact O-N 3.43Å; A116-Y120 WeakPolarHBondContact O-CA 3.29Å; A116-Y120 WeakPolarHBondContact O-CB 3.2Å; A116-Y120 VanDerWaalsContact O-CD2 3.24Å; A116-Y120 WeakPolarHBondContact O-CD2 3.4Å; A116-Y120 PolarHBondContact O-N 2.91Å |
| 117 | L | 58 | Low | 57.8 | Low | 42 Ų | 42 | 91 Ų | 91 | 22% | 0.22 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -74.7 | -31.6 | 177.1 | -74.3 | 164.8 | 0 | 0 | 0 | 113.3 | F113 C114 L115 S121 I193 L197 | F113-L117 HydrophobicContact CD1-CD1 3.47Å; F113-L117 VanDerWaalsContact CD1-CD1 3.47Å; F113-L117 HydrophobicContact CD2-CD1 4.2Å; F113-L117 HydrophobicContact CD2-CG 4.49Å; F113-L117 HydrophobicContact CE1-CD1 3.41Å; F113-L117 VanDerWaalsContact CE1-CD1 3.41Å; F113-L117 HydrophobicContact CE2-CD1 4.11Å; F113-L117 HydrophobicContact CE2-CG 4.43Å; F113-L117 HydrophobicContact CG-CD1 3.89Å; F113-L117 HydrophobicContact CZ-CD1 3.72Å; F113-L117 HydrophobicContact CZ-CG 4.44Å; F113-L117 WeakPolarHBondContact O-CB 3.39Å; F113-L117 VanDerWaalsContact O-CD1 3.29Å; F113-L117 WeakPolarHBondContact O-CD1 3.06Å; F113-L117 WeakPolarHBondContact O-CG 3.42Å; F113-L117 PolarHBondContact O-N 2.86Å; C114-L117 PolarHBondContact O-N 3.39Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 PolarHBondContact O-N 2.97Å; L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 3.28Å; L117-S121 PolarHBondContact O-OG 3.15Å; L117-I193 HydrophobicContact CD2-CG2 4.39Å; L117-L197 HydrophobicContact CD1-CD1 3.76Å; L117-L197 HydrophobicContact CD1-CD2 3.41Å; L117-L197 VanDerWaalsContact CD1-CD2 3.41Å; L117-L197 HydrophobicContact CD1-CG 4.12Å |
| 118 | I | 59.3 | Low | 58.2 | Low | 70 Ų | 70 | 89.7 Ų | 89.7 | 36% | 0.359 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 169.9 | -68.6 | 163.8 | 0 | 0 | 0 | 110 | C114 L115 S121 R122 | C114-I118 WeakPolarHBondContact O-CB 3.44Å; C114-I118 WeakPolarHBondContact O-CD1 3.36Å; C114-I118 WeakPolarHBondContact O-CG1 3.15Å; C114-I118 PolarHBondContact O-N 2.82Å; L115-I118 PolarHBondContact O-N 2.61Å; I118-S121 WeakPolarHBondContact CA-OG 3.24Å; I118-S121 PolarHBondContact O-OG 3.33Å; I118-R122 WeakPolarHBondContact O-CB 3.37Å; I118-R122 VanDerWaalsContact O-CG 3.29Å; I118-R122 WeakPolarHBondContact O-CG 3.42Å; I118-R122 PolarHBondContact O-N 2.87Å |
| 119 | A | 58.8 | Low | 58.5 | Low | 49 Ų | 49 | 88.8 Ų | 88.8 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L115 A116 R122 L123 | L115-A119 VanDerWaalsContact O-CB 3.27Å; L115-A119 WeakPolarHBondContact O-CB 3.08Å; L115-A119 PolarHBondContact O-N 2.89Å; A116-A119 PolarHBondContact O-N 3.43Å; A119-R122 PolarHBondContact O-N 3.36Å; A119-L123 WeakPolarHBondContact O-CB 3.34Å; A119-L123 PolarHBondContact O-N 3.31Å |
| 120 | Y | 60.7 | Low | 58.7 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.3 | -50.1 | 174.2 | -96.8 | -75.5 | 0 | 0 | 0 | 109.7 | A116 R122 L123 W124 | A116-Y120 WeakPolarHBondContact O-CA 3.29Å; A116-Y120 WeakPolarHBondContact O-CB 3.2Å; A116-Y120 VanDerWaalsContact O-CD2 3.24Å; A116-Y120 WeakPolarHBondContact O-CD2 3.4Å; A116-Y120 PolarHBondContact O-N 2.91Å; Y120-R122 VanDerWaalsContact C-N 3.27Å; Y120-R122 PolarHBondContact O-N 2.79Å; Y120-L123 CarbonylContact O-C 3.58Å; Y120-L123 PolarHBondContact O-N 2.74Å; Y120-L123 VanDerWaalsContact O-N 3.11Å; Y120-W124 AromaticContact CD1-CD1 3.75Å; Y120-W124 AromaticContact CD1-NE1 3.47Å; Y120-W124 WeakPolarHBondContact O-CB 3.4Å; Y120-W124 PolarHBondContact O-N 3.11Å |
| 121 | S | 58.8 | Low | 58.9 | Low | 55 Ų | 55 | 89 Ų | 89 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -35 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | L117 I118 V125 | L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 3.28Å; L117-S121 PolarHBondContact O-OG 3.15Å; I118-S121 WeakPolarHBondContact CA-OG 3.24Å; I118-S121 PolarHBondContact O-OG 3.33Å; S121-V125 VanDerWaalsContact O-CB 3.3Å; S121-V125 WeakPolarHBondContact O-CB 3.28Å; S121-V125 WeakPolarHBondContact O-CG2 3.37Å; S121-V125 PolarHBondContact O-N 2.77Å |
| 122 | R | 55.3 | Low | 59 | Low | 188 Ų | 188 | 86.2 Ų | 86.2 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 171.9 | -75.7 | -177.1 | 179.6 | 173.6 | 1 | 112.9 | I118 A119 Y120 A126 | I118-R122 WeakPolarHBondContact O-CB 3.37Å; I118-R122 VanDerWaalsContact O-CG 3.29Å; I118-R122 WeakPolarHBondContact O-CG 3.42Å; I118-R122 PolarHBondContact O-N 2.87Å; A119-R122 PolarHBondContact O-N 3.36Å; Y120-R122 VanDerWaalsContact C-N 3.27Å; Y120-R122 PolarHBondContact O-N 2.79Å; R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.07Å; R122-A126 PolarHBondContact O-N 3.15Å |
| 123 | L | 58.5 | Low | 58.9 | Low | 105 Ų | 105 | 83.5 Ų | 83.5 | 55% | 0.55 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 174.8 | -88.6 | 153.9 | 0 | 0 | 0 | 112.2 | A119 Y120 A126 L127 | A119-L123 WeakPolarHBondContact O-CB 3.34Å; A119-L123 PolarHBondContact O-N 3.31Å; Y120-L123 CarbonylContact O-C 3.58Å; Y120-L123 PolarHBondContact O-N 2.74Å; Y120-L123 VanDerWaalsContact O-N 3.11Å; L123-A126 PolarHBondContact O-N 3.04Å; L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 2.9Å |
| 124 | W | 62.4 | Low | 58.6 | Low | 144 Ų | 144 | 83.9 Ų | 83.9 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 176.7 | -82.4 | 100.1 | 0 | 0 | 0 | 111.1 | Y120 A126 L127 I128 | Y120-W124 AromaticContact CD1-CD1 3.75Å; Y120-W124 AromaticContact CD1-NE1 3.47Å; Y120-W124 WeakPolarHBondContact O-CB 3.4Å; Y120-W124 PolarHBondContact O-N 3.11Å; W124-A126 VanDerWaalsContact C-N 3.35Å; W124-L127 PolarHBondContact O-N 2.95Å; W124-I128 WeakPolarHBondContact O-CB 3.37Å; W124-I128 WeakPolarHBondContact O-CD1 3.4Å; W124-I128 WeakPolarHBondContact O-CG1 3.29Å; W124-I128 PolarHBondContact O-N 3.47Å |
| 125 | V | 61.1 | Low | 58.5 | Low | 90 Ų | 90 | 83.7 Ų | 83.7 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | S121 S129 | S121-V125 VanDerWaalsContact O-CB 3.3Å; S121-V125 WeakPolarHBondContact O-CB 3.28Å; S121-V125 WeakPolarHBondContact O-CG2 3.37Å; S121-V125 PolarHBondContact O-N 2.77Å; V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 3.4Å |
| 126 | A | 56.5 | Low | 58.1 | Low | 49 Ų | 49 | 84.2 Ų | 84.2 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R122 L123 W124 I128 S129 V130 | R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.07Å; R122-A126 PolarHBondContact O-N 3.15Å; L123-A126 PolarHBondContact O-N 3.04Å; W124-A126 VanDerWaalsContact C-N 3.35Å; A126-I128 VanDerWaalsContact C-N 3.29Å; A126-I128 PolarHBondContact O-N 3.06Å; A126-S129 PolarHBondContact O-N 3.39Å; A126-S129 PolarHBondContact O-OG 2.9Å; A126-S129 VanDerWaalsContact O-OG 3.1Å; A126-V130 WeakPolarHBondContact O-CB 3.27Å; A126-V130 VanDerWaalsContact O-CG2 3.23Å; A126-V130 WeakPolarHBondContact O-CG2 3.39Å; A126-V130 PolarHBondContact O-N 3.03Å |
| 127 | L | 60 | Low | 57.7 | Low | 111 Ų | 111 | 86.7 Ų | 86.7 | 58% | 0.581 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 173.7 | -84.1 | 167.4 | 0 | 0 | 0 | 111.5 | L123 W124 V130 F131 | L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 2.9Å; W124-L127 PolarHBondContact O-N 2.95Å; L127-V130 PolarHBondContact O-N 2.96Å; L127-F131 VanDerWaalsContact O-CB 3.32Å; L127-F131 WeakPolarHBondContact O-CB 3.4Å; L127-F131 PolarHBondContact O-N 2.86Å |
| 128 | I | 62.7 | Low | 57.1 | Low | 44 Ų | 44 | 91.4 Ų | 91.4 | 23% | 0.226 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.5 | -75.7 | 166.3 | 0 | 0 | 0 | 111.1 | W124 A126 V130 F131 V132 W183 I186 | W124-I128 WeakPolarHBondContact O-CB 3.37Å; W124-I128 WeakPolarHBondContact O-CD1 3.4Å; W124-I128 WeakPolarHBondContact O-CG1 3.29Å; W124-I128 PolarHBondContact O-N 3.47Å; A126-I128 VanDerWaalsContact C-N 3.29Å; A126-I128 PolarHBondContact O-N 3.06Å; I128-V130 VanDerWaalsContact C-N 3.33Å; I128-V130 PolarHBondContact O-N 2.86Å; I128-F131 PolarHBondContact O-N 3.25Å; I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CB 3.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.42Å; I128-V132 PolarHBondContact O-N 2.9Å; I128-W183 HydrophobicContact CG2-CH2 3.41Å; I128-W183 VanDerWaalsContact CG2-CH2 3.41Å; I128-W183 HydrophobicContact CG2-CZ2 4.48Å; I128-W183 HydrophobicContact CG2-CZ3 3.98Å; I128-I186 HydrophobicContact CD1-CG2 4.25Å |
| 129 | S | 58.4 | Low | 56.3 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 177.8 | 85.1 | 0 | 0 | 0 | 0 | 111.5 | V125 A126 V132 L133 | V125-S129 WeakPolarHBondContact O-CB 3.34Å; V125-S129 PolarHBondContact O-N 3.4Å; A126-S129 PolarHBondContact O-N 3.39Å; A126-S129 PolarHBondContact O-OG 2.9Å; A126-S129 VanDerWaalsContact O-OG 3.1Å; S129-V132 PolarHBondContact O-N 3.44Å; S129-L133 VanDerWaalsContact O-CB 3.24Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 WeakPolarHBondContact O-CD1 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.28Å; S129-L133 WeakPolarHBondContact O-CG 3.48Å; S129-L133 PolarHBondContact O-N 2.96Å |
| 130 | V | 59 | Low | 55.5 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | A126 L127 I128 L133 L134 | A126-V130 WeakPolarHBondContact O-CB 3.27Å; A126-V130 VanDerWaalsContact O-CG2 3.23Å; A126-V130 WeakPolarHBondContact O-CG2 3.39Å; A126-V130 PolarHBondContact O-N 3.03Å; L127-V130 PolarHBondContact O-N 2.96Å; I128-V130 VanDerWaalsContact C-N 3.33Å; I128-V130 PolarHBondContact O-N 2.86Å; V130-L133 PolarHBondContact O-N 3.39Å; V130-L134 HydrophobicContact CG1-CD1 3.67Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 VanDerWaalsContact O-CB 3.3Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 WeakPolarHBondContact O-CG 3.19Å; V130-L134 PolarHBondContact O-N 3.44Å |
| 131 | F | 59.2 | Low | 54.8 | Low | 75 Ų | 75 | 94 Ų | 94 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.4 | -161.1 | -103.9 | 0 | 0 | 0 | 112.1 | L127 I128 L134 L135 F174 | L127-F131 VanDerWaalsContact O-CB 3.32Å; L127-F131 WeakPolarHBondContact O-CB 3.4Å; L127-F131 PolarHBondContact O-N 2.86Å; I128-F131 PolarHBondContact O-N 3.25Å; F131-L134 PolarHBondContact O-N 3.47Å; F131-L135 HydrophobicContact CD1-CD1 3.58Å; F131-L135 HydrophobicContact CE1-CD1 3.5Å; F131-L135 HydrophobicContact CE1-CG 4.46Å; F131-L135 HydrophobicContact CG-CD1 4.46Å; F131-L135 HydrophobicContact CZ-CD1 4.31Å; F131-L135 WeakPolarHBondContact O-CB 3.26Å; F131-L135 WeakPolarHBondContact O-CD1 3.09Å; F131-L135 VanDerWaalsContact O-CG 3.32Å; F131-L135 WeakPolarHBondContact O-CG 3.33Å; F131-L135 PolarHBondContact O-N 2.97Å; F131-L135 VanDerWaalsContact O-N 3.12Å; F131-F174 HydrophobicContact CZ-CD1 4.45Å; F131-F174 AromaticContact CZ-CE1 3.93Å; F131-F174 HydrophobicContact CZ-CE1 3.93Å; F131-F174 HydrophobicContact CZ-CE2 4.44Å; F131-F174 AromaticContact CZ-CZ 3.93Å; F131-F174 HydrophobicContact CZ-CZ 3.93Å |
| 132 | V | 59.3 | Low | 53.9 | Low | 45 Ų | 45 | 94.8 Ų | 94.8 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | I128 S129 L134 L135 F136 | I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CB 3.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.42Å; I128-V132 PolarHBondContact O-N 2.9Å; S129-V132 PolarHBondContact O-N 3.44Å; V132-L134 VanDerWaalsContact C-N 3.32Å; V132-L134 PolarHBondContact O-N 3.4Å; V132-L135 PolarHBondContact O-N 2.87Å; V132-F136 HydrophobicContact CG1-CD2 3.58Å; V132-F136 HydrophobicContact CG1-CE2 3.36Å; V132-F136 WeakPolarHBondContact O-CD2 3.13Å; V132-F136 PolarHBondContact O-N 3.21Å |
| 133 | L | 54.7 | Low | 53.3 | Low | 117 Ų | 117 | 91 Ų | 91 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.8 | -27 | 177.1 | -78.3 | 163.2 | 0 | 0 | 0 | 113.7 | S129 V130 P137 | S129-L133 VanDerWaalsContact O-CB 3.24Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 WeakPolarHBondContact O-CD1 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.28Å; S129-L133 WeakPolarHBondContact O-CG 3.48Å; S129-L133 PolarHBondContact O-N 2.96Å; V130-L133 PolarHBondContact O-N 3.39Å; L133-P137 WeakPolarHBondContact O-CD 3.25Å; L133-P137 WeakPolarHBondContact O-CG 3.31Å |
| 134 | L | 53.8 | Low | 52.3 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -78.6 | -26.4 | 174.1 | -76.7 | 167.2 | 0 | 0 | 0 | 112.5 | V130 F131 V132 | V130-L134 HydrophobicContact CG1-CD1 3.67Å; V130-L134 HydrophobicContact CG1-CG 4.28Å; V130-L134 VanDerWaalsContact O-CB 3.3Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 WeakPolarHBondContact O-CG 3.19Å; V130-L134 PolarHBondContact O-N 3.44Å; F131-L134 PolarHBondContact O-N 3.47Å; V132-L134 VanDerWaalsContact C-N 3.32Å; V132-L134 PolarHBondContact O-N 3.4Å |
| 135 | L | 54.4 | Low | 51.2 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.8 | -29.8 | 175.7 | -76.1 | 163.8 | 0 | 0 | 0 | 113.1 | F131 V132 S139 | F131-L135 HydrophobicContact CD1-CD1 3.58Å; F131-L135 HydrophobicContact CE1-CD1 3.5Å; F131-L135 HydrophobicContact CE1-CG 4.46Å; F131-L135 HydrophobicContact CG-CD1 4.46Å; F131-L135 HydrophobicContact CZ-CD1 4.31Å; F131-L135 WeakPolarHBondContact O-CB 3.26Å; F131-L135 WeakPolarHBondContact O-CD1 3.09Å; F131-L135 VanDerWaalsContact O-CG 3.32Å; F131-L135 WeakPolarHBondContact O-CG 3.33Å; F131-L135 PolarHBondContact O-N 2.97Å; F131-L135 VanDerWaalsContact O-N 3.12Å; V132-L135 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 2.9Å |
| 136 | F | 51.6 | Low | 50.2 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -64.1 | -37.6 | -179.2 | -95.3 | -71.7 | 0 | 0 | 0 | 116.1 | V132 W143 | V132-F136 HydrophobicContact CG1-CD2 3.58Å; V132-F136 HydrophobicContact CG1-CE2 3.36Å; V132-F136 WeakPolarHBondContact O-CD2 3.13Å; V132-F136 PolarHBondContact O-N 3.21Å; F136-W143 AromaticContact CZ-CD1 3.88Å |
| 137 | P | 49.5 | Very low | 49.3 | Very low | 93 Ų | 93 | 97 Ų | 97 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -87.3 | -12.6 | -178 | 28.6 | -32.7 | 0 | 0 | 0 | 114.5 | L133 | L133-P137 WeakPolarHBondContact O-CD 3.25Å; L133-P137 WeakPolarHBondContact O-CG 3.31Å |
| 138 | N | 44.2 | Very low | 48.4 | Very low | 141 Ų | 141 | 96.8 Ų | 96.8 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -111.9 | 8.8 | -174.3 | -73.6 | -56.3 | 0 | 0 | 0 | 114.6 | ||
| 139 | S | 42.6 | Very low | 47.3 | Very low | 29 Ų | 29 | 103 Ų | 103 | 20% | 0.203 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -157.1 | 138.2 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 112 | L135 Y141 | L135-S139 PolarHBondContact O-OG 2.9Å; S139-Y141 PolarHBondContact O-N 3.5Å; S139-Y141 WeakPolarHBondContact OG-CD2 3.26Å; S139-Y141 WeakPolarHBondContact OG-CE2 3.47Å |
| 140 | N | 43.7 | Very low | 46.4 | Very low | 174 Ų | 174 | 106.1 Ų | 106.1 | 93% | 0.93 | 57% | 0.572 | S | S | * | * | trans | -67.3 | 37.8 | 170.8 | -71 | -43.2 | 0 | 0 | 0 | 112.5 | S142 | N140-S142 PolarHBondContact O-N 3.41Š| ||
| 141 | Y | 44.7 | Very low | 45.5 | Very low | 114 Ų | 114 | 107 Ų | 107 | 45% | 0.447 | 59% | 0.588 | S | S | . | * | trans | -91 | 77.3 | 179.1 | -59.5 | -40.8 | 0 | 0 | 0 | 109.6 | S139 W143 V176 | S139-Y141 PolarHBondContact O-N 3.5Å; S139-Y141 WeakPolarHBondContact OG-CD2 3.26Å; S139-Y141 WeakPolarHBondContact OG-CE2 3.47Å; Y141-W143 PolarHBondContact O-N 3.44Å; Y141-V176 HydrophobicContact CD1-CG2 4.22Å; Y141-V176 HydrophobicContact CE1-CG2 4.19Å | ||
| 142 | S | 39.9 | Very low | 44.3 | Very low | 70 Ų | 70 | 107.7 Ų | 107.7 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | trans | -69.8 | 124.7 | 165.7 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | N140 L144 | N140-S142 PolarHBondContact O-N 3.41Å; S142-L144 WeakPolarHBondContact CB-O 3.4Å; S142-L144 PolarHBondContact O-N 2.97Å; S142-L144 PolarHBondContact OG-N 2.92Å; S142-L144 VanDerWaalsContact OG-N 3.17Å; S142-L144 PolarHBondContact OG-O 3.33Å | ||
| 143 | W | 43.3 | Very low | 43.5 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 42% | 0.417 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -70.8 | -7.5 | 169.8 | -71.2 | 81.2 | 0 | 0 | 0 | 112.7 | V46 F136 Y141 | V46-W143 HydrophobicContact CG2-CE3 4.39Å; V46-W143 HydrophobicContact CG2-CZ3 4.07Å; F136-W143 AromaticContact CZ-CD1 3.88Å; Y141-W143 PolarHBondContact O-N 3.44Å |
| 144 | L | 37.9 | Very low | 42.7 | Very low | 117 Ų | 117 | 112.5 Ų | 112.5 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -101.6 | 131.8 | 170.6 | -72.4 | 93.7 | 0 | 0 | 0 | 109.5 | S142 L146 | S142-L144 WeakPolarHBondContact CB-O 3.4Å; S142-L144 PolarHBondContact O-N 2.97Å; S142-L144 PolarHBondContact OG-N 2.92Å; S142-L144 VanDerWaalsContact OG-N 3.17Å; S142-L144 PolarHBondContact OG-O 3.33Å; L144-L146 HydrophobicContact CB-CD1 4.16Å; L144-L146 PolarHBondContact O-N 2.75Å |
| 145 | P | 39.2 | Very low | 42.3 | Very low | 97 Ų | 97 | 112 Ų | 112 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | trans | -75.9 | 77.8 | 175.6 | 33 | -31.5 | 0 | 0 | 0 | 108.6 | N147 | P145-N147 PolarHBondContact O-N 2.8Š| ||
| 146 | L | 39 | Very low | 42.1 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | trans | -75.6 | 88.1 | 157.1 | -87.2 | 101.6 | 0 | 0 | 0 | 106.9 | L144 S148 | L144-L146 HydrophobicContact CB-CD1 4.16Å; L144-L146 PolarHBondContact O-N 2.75Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 2.85Å; L146-S148 PolarHBondContact O-OG 3.45Å | ||
| 147 | N | 38.4 | Very low | 41.5 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | trans | 40.9 | 44.9 | 151.4 | -139.7 | 24.8 | 0 | 0 | 0 | 116.5 | P145 Q149 | P145-N147 PolarHBondContact O-N 2.8Å; N147-Q149 PolarHBondContact O-N 2.81Å; N147-Q149 VanDerWaalsContact O-N 3.12Å | ||
| 148 | S | 41.8 | Very low | 41.3 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -84.9 | 89.9 | 176.6 | -3.7 | 0 | 0 | 0 | 0 | 108.5 | L146 | L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 2.85Å; L146-S148 PolarHBondContact O-OG 3.45Å | ||
| 149 | Q | 38 | Very low | 41.5 | Very low | 173 Ų | 173 | 111.1 Ų | 111.1 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | -41.7 | 138 | 166.6 | -167 | 164.8 | -54.2 | 0 | 0 | 110.7 | N147 A151 | N147-Q149 PolarHBondContact O-N 2.81Å; N147-Q149 VanDerWaalsContact O-N 3.12Å; Q149-A151 PolarHBondContact O-N 3.44Å | ||
| 150 | P | 41.1 | Very low | 42 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -61.8 | 107.4 | 177.9 | 25.1 | -32 | 0 | 0 | 0 | 108.4 | A152 | P150-A152 PolarHBondContact O-N 2.9Š| ||
| 151 | A | 39.2 | Very low | 42.5 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 69% | 0.685 | S | S | * | * | trans | -63.1 | 110.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q149 V153 | Q149-A151 PolarHBondContact O-N 3.44Å; A151-V153 PolarHBondContact O-N 3.14Å | ||
| 152 | A | 34.6 | Very low | 43.1 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -50.2 | 129.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | P150 T154 | P150-A152 PolarHBondContact O-N 2.9Å; A152-T154 PolarHBondContact O-N 2.95Å | ||
| 153 | V | 41.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 113.2 Ų | 113.2 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -69.2 | 94 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | A151 | A151-V153 PolarHBondContact O-N 3.14Š| ||
| 154 | T | 38.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -75.4 | 125 | 164.4 | -18.8 | 0 | 0 | 0 | 0 | 107.7 | A152 | A152-T154 PolarHBondContact O-N 2.95Š| ||
| 155 | P | 46.6 | Very low | 45.1 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | trans | -64.5 | 137.5 | -178.6 | 25.5 | -32.9 | 0 | 0 | 0 | 110.5 | T157 | P155-T157 PolarHBondContact O-N 3.5Š| ||
| 156 | P | 48.5 | Very low | 45.6 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | trans | -75 | 97.3 | 179.9 | 29.4 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 157 | T | 40.5 | Very low | 46 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -74.5 | 126.3 | 156 | 32.7 | 0 | 0 | 0 | 0 | 108.7 | P155 | P155-T157 PolarHBondContact O-N 3.5Š| ||
| 158 | S | 45.5 | Very low | 46.7 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 92.2 | 122.7 | 175.2 | 81.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 159 | G | 47 | Very low | 47.4 | Very low | 33 Ų | 33 | 115 Ų | 115 | 34% | 0.34 | 67% | 0.665 | S | S | . | * | trans | 98.2 | 71.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | K161 D162 D163 | G159-K161 PolarHBondContact O-N 3.41Å; G159-D162 PolarHBondContact O-N 3.13Å; G159-D163 PolarHBondContact O-N 3.17Å | ||
| 160 | A | 54.6 | Low | 48.1 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -55.3 | -14.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 161 | K | 54.3 | Low | 48.7 | Very low | 168 Ų | 168 | 111 Ų | 111 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -83.4 | -28.8 | 173.6 | -64.6 | -179.1 | 179.5 | 176.7 | 0 | 112.6 | G159 L164 W165 | G159-K161 PolarHBondContact O-N 3.41Å; K161-L164 PolarHBondContact O-N 3.46Å; K161-W165 PolarHBondContact O-N 2.65Å |
| 162 | D | 56 | Low | 49.3 | Very low | 95 Ų | 95 | 109.8 Ų | 109.8 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -78.9 | -31.3 | -178.4 | -57.5 | -31.7 | 0 | 0 | 0 | 111 | G159 W165 R166 | G159-D162 PolarHBondContact O-N 3.13Å; D162-W165 PolarHBondContact O-N 3.38Å; D162-R166 WeakPolarHBondContact O-CB 3.32Å; D162-R166 WeakPolarHBondContact O-CG 3.44Å; D162-R166 PolarHBondContact O-N 2.82Å |
| 163 | D | 53 | Low | 50.5 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 39% | 0.385 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -34.4 | 171.3 | -85 | -16.3 | 0 | 0 | 0 | 112.6 | G159 R166 M167 | G159-D163 PolarHBondContact O-N 3.17Å; D163-R166 PolarHBondContact O-N 3.36Å; D163-M167 WeakPolarHBondContact O-CG 3.14Å; D163-M167 PolarHBondContact O-N 2.94Å |
| 164 | L | 57.1 | Low | 51.4 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 175.9 | -160.4 | 82.7 | 0 | 0 | 0 | 111.2 | K161 R166 M167 T168 | K161-L164 PolarHBondContact O-N 3.46Å; L164-R166 VanDerWaalsContact C-N 3.35Å; L164-M167 PolarHBondContact O-N 2.82Å; L164-T168 PolarHBondContact O-N 2.89Å; L164-T168 PolarHBondContact O-OG1 3.4Å |
| 165 | W | 53.4 | Low | 52.5 | Low | 189 Ų | 189 | 104.5 Ų | 104.5 | 72% | 0.716 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.4 | -34.4 | 176.1 | -77.1 | 112.8 | 0 | 0 | 0 | 112.7 | K161 D162 T168 T169 | K161-W165 PolarHBondContact O-N 2.65Å; D162-W165 PolarHBondContact O-N 3.38Å; W165-T168 VanDerWaalsContact C-OG1 3.28Å; W165-T168 VanDerWaalsContact CA-OG1 3.27Å; W165-T168 WeakPolarHBondContact CA-OG1 3.5Å; W165-T168 PolarHBondContact O-N 3.03Å; W165-T168 PolarHBondContact O-OG1 3.3Å; W165-T169 PolarHBondContact O-OG1 3.21Å |
| 166 | R | 49.2 | Very low | 53.1 | Low | 168 Ų | 168 | 102.5 Ų | 102.5 | 63% | 0.634 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -72.5 | -26.4 | 174.1 | -69.5 | 175.4 | 92.4 | -178.1 | 8.1 | 112.7 | D162 D163 L164 T168 T172 | D162-R166 WeakPolarHBondContact O-CB 3.32Å; D162-R166 WeakPolarHBondContact O-CG 3.44Å; D162-R166 PolarHBondContact O-N 2.82Å; D163-R166 PolarHBondContact O-N 3.36Å; L164-R166 VanDerWaalsContact C-N 3.35Å; R166-T168 VanDerWaalsContact C-N 3.34Å; R166-T172 VanDerWaalsContact O-CB 3.26Å; R166-T172 WeakPolarHBondContact O-CB 3.3Å; R166-T172 PolarHBondContact O-OG1 3.38Å |
| 167 | M | 48.5 | Very low | 53.7 | Low | 129 Ų | 129 | 102.8 Ų | 102.8 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.2 | -27.1 | 170.3 | -75.3 | -178.2 | -178.4 | 0 | 0 | 113 | D163 L164 | D163-M167 WeakPolarHBondContact O-CG 3.14Å; D163-M167 PolarHBondContact O-N 2.94Å; L164-M167 PolarHBondContact O-N 2.82Å |
| 168 | T | 53.1 | Low | 54.8 | Low | 90 Ų | 90 | 100.3 Ų | 100.3 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -78.6 | -13.4 | 174.9 | 24.5 | 0 | 0 | 0 | 0 | 114.9 | L164 W165 R166 F170 | L164-T168 PolarHBondContact O-N 2.89Å; L164-T168 PolarHBondContact O-OG1 3.4Å; W165-T168 VanDerWaalsContact C-OG1 3.28Å; W165-T168 VanDerWaalsContact CA-OG1 3.27Å; W165-T168 WeakPolarHBondContact CA-OG1 3.5Å; W165-T168 PolarHBondContact O-N 3.03Å; W165-T168 PolarHBondContact O-OG1 3.3Å; R166-T168 VanDerWaalsContact C-N 3.34Å; T168-F170 PolarHBondContact O-N 3.36Å |
| 169 | T | 54.9 | Low | 55.6 | Low | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -72.3 | 122.2 | 175.8 | -46.2 | 0 | 0 | 0 | 0 | 109.3 | W165 S171 T172 | W165-T169 PolarHBondContact O-OG1 3.21Å; T169-S171 VanDerWaalsContact CG2-OG 3.27Å; T169-S171 WeakPolarHBondContact CG2-OG 3.39Å; T169-S171 PolarHBondContact O-N 3.36Å; T169-T172 WeakPolarHBondContact O-CB 3.39Å; T169-T172 PolarHBondContact O-N 2.84Å |
| 170 | F | 53.7 | Low | 56.3 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 66% | 0.658 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -49 | -26.1 | 178 | -100.4 | -82.2 | 0 | 0 | 0 | 113.7 | T168 T172 I173 F174 | T168-F170 PolarHBondContact O-N 3.36Å; F170-T172 VanDerWaalsContact C-N 3.33Å; F170-T172 PolarHBondContact O-N 3.06Å; F170-I173 PolarHBondContact O-N 2.9Å; F170-F174 HydrophobicContact CD1-CD2 4.07Å; F170-F174 AromaticContact CD1-CE2 3.75Å; F170-F174 HydrophobicContact CD1-CE2 3.75Å; F170-F174 HydrophobicContact CE1-CE2 4.18Å; F170-F174 WeakPolarHBondContact O-CD2 3.27Å; F170-F174 PolarHBondContact O-N 3.48Å |
| 171 | S | 53.6 | Low | 56.7 | Low | 60 Ų | 60 | 96.5 Ų | 96.5 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -29.8 | 175.2 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | T169 F174 | T169-S171 VanDerWaalsContact CG2-OG 3.27Å; T169-S171 WeakPolarHBondContact CG2-OG 3.39Å; T169-S171 PolarHBondContact O-N 3.36Å; S171-F174 CarbonylContact O-C 3.54Å |
| 172 | T | 52.6 | Low | 57.3 | Low | 71 Ų | 71 | 92 Ų | 92 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.8 | -33.4 | 177.7 | -48.6 | 0 | 0 | 0 | 0 | 111 | R166 T169 F170 | R166-T172 VanDerWaalsContact O-CB 3.26Å; R166-T172 WeakPolarHBondContact O-CB 3.3Å; R166-T172 PolarHBondContact O-OG1 3.38Å; T169-T172 WeakPolarHBondContact O-CB 3.39Å; T169-T172 PolarHBondContact O-N 2.84Å; F170-T172 VanDerWaalsContact C-N 3.33Å; F170-T172 PolarHBondContact O-N 3.06Å |
| 173 | I | 58.5 | Low | 57.6 | Low | 94 Ų | 94 | 89.7 Ų | 89.7 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 174.8 | -58.3 | 173.8 | 0 | 0 | 0 | 110.3 | F170 N175 | F170-I173 PolarHBondContact O-N 2.9Å; I173-N175 PolarHBondContact O-N 3.26Å; I173-N175 VanDerWaalsContact O-N 3.12Å |
| 174 | F | 59.7 | Low | 58.1 | Low | 61 Ų | 61 | 88.7 Ų | 88.7 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 57 | 173.4 | -73.5 | -67.7 | 0 | 0 | 0 | 112.7 | F131 F170 S171 | F131-F174 HydrophobicContact CZ-CD1 4.45Å; F131-F174 AromaticContact CZ-CE1 3.93Å; F131-F174 HydrophobicContact CZ-CE1 3.93Å; F131-F174 HydrophobicContact CZ-CE2 4.44Å; F131-F174 AromaticContact CZ-CZ 3.93Å; F131-F174 HydrophobicContact CZ-CZ 3.93Å; F170-F174 HydrophobicContact CD1-CD2 4.07Å; F170-F174 AromaticContact CD1-CE2 3.75Å; F170-F174 HydrophobicContact CD1-CE2 3.75Å; F170-F174 HydrophobicContact CE1-CE2 4.18Å; F170-F174 WeakPolarHBondContact O-CD2 3.27Å; F170-F174 PolarHBondContact O-N 3.48Å; S171-F174 CarbonylContact O-C 3.54Å |
| 175 | N | 62.1 | Low | 58.5 | Low | 86 Ų | 86 | 87 Ų | 87 | 46% | 0.46 | 45% | 0.447 | S | S | . | . | trans | -62.2 | 149.2 | 171.2 | -165.7 | -37.9 | 0 | 0 | 0 | 110.5 | I173 T177 V178 N179 | I173-N175 PolarHBondContact O-N 3.26Å; I173-N175 VanDerWaalsContact O-N 3.12Å; N175-T177 PolarHBondContact O-N 3.32Å; N175-T177 PolarHBondContact OD1-N 3.01Å; N175-V178 HydrophobicContact CB-CG2 4.42Å; N175-V178 WeakPolarHBondContact O-CA 3.37Å; N175-V178 PolarHBondContact O-N 2.86Å; N175-N179 PolarHBondContact O-N 3.45Å | ||
| 176 | V | 60.4 | Low | 59.1 | Low | 56 Ų | 56 | 79.9 Ų | 79.9 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -47.8 | -37 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | Y141 R180 | Y141-V176 HydrophobicContact CD1-CG2 4.22Å; Y141-V176 HydrophobicContact CE1-CG2 4.19Å; V176-R180 HydrophobicContact CG1-CG 4.34Å; V176-R180 VanDerWaalsContact O-CB 3.25Å; V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CD 3.1Å; V176-R180 WeakPolarHBondContact O-CG 3.48Å; V176-R180 PolarHBondContact O-N 2.88Å |
| 177 | T | 60.5 | Low | 59.9 | Low | 107 Ų | 107 | 72.7 Ų | 72.7 | 66% | 0.656 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | N175 R180 G181 | N175-T177 PolarHBondContact O-N 3.32Å; N175-T177 PolarHBondContact OD1-N 3.01Å; T177-R180 PolarHBondContact O-N 2.93Å; T177-G181 PolarHBondContact O-N 2.91Å |
| 178 | V | 62.8 | Low | 60.7 | Low | 77 Ų | 77 | 67.2 Ų | 67.2 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 178.3 | 178.5 | 0 | 0 | 0 | 0 | 110 | N175 R180 G181 L182 | N175-V178 HydrophobicContact CB-CG2 4.42Å; N175-V178 WeakPolarHBondContact O-CA 3.37Å; N175-V178 PolarHBondContact O-N 2.86Å; V178-R180 VanDerWaalsContact C-N 3.32Å; V178-R180 PolarHBondContact O-N 3.06Å; V178-G181 PolarHBondContact O-N 3.38Å; V178-G181 VanDerWaalsContact O-N 3.14Å; V178-L182 WeakPolarHBondContact O-CB 3.26Å; V178-L182 PolarHBondContact O-N 2.88Å |
| 179 | N | 63.4 | Low | 61.3 | Low | 28 Ų | 28 | 66.1 Ų | 66.1 | 15% | 0.15 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 177 | -168.6 | 31.9 | 0 | 0 | 0 | 111.6 | N175 G181 L182 W183 | N175-N179 PolarHBondContact O-N 3.45Å; N179-G181 PolarHBondContact O-N 3.12Å; N179-L182 PolarHBondContact O-N 2.91Å; N179-W183 WeakPolarHBondContact O-CB 3.28Å; N179-W183 PolarHBondContact O-N 3.44Å |
| 180 | R | 61.9 | Low | 61.8 | Low | 100 Ų | 100 | 66.4 Ų | 66.4 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 174.5 | -76.6 | 172.6 | 178.8 | -163.3 | -2.2 | 112.5 | V176 T177 V178 N184 | V176-R180 HydrophobicContact CG1-CG 4.34Å; V176-R180 VanDerWaalsContact O-CB 3.25Å; V176-R180 WeakPolarHBondContact O-CB 3.31Å; V176-R180 WeakPolarHBondContact O-CD 3.1Å; V176-R180 WeakPolarHBondContact O-CG 3.48Å; V176-R180 PolarHBondContact O-N 2.88Å; T177-R180 PolarHBondContact O-N 2.93Å; V178-R180 VanDerWaalsContact C-N 3.32Å; V178-R180 PolarHBondContact O-N 3.06Å; R180-N184 PolarHBondContact O-N 3.49Å |
| 181 | G | 62.2 | Low | 62.3 | Low | 34 Ų | 34 | 59.8 Ų | 59.8 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T177 V178 N179 W183 N184 V185 | T177-G181 PolarHBondContact O-N 2.91Å; V178-G181 PolarHBondContact O-N 3.38Å; V178-G181 VanDerWaalsContact O-N 3.14Å; N179-G181 PolarHBondContact O-N 3.12Å; G181-W183 VanDerWaalsContact C-N 3.29Å; G181-W183 PolarHBondContact O-N 2.86Å; G181-N184 WeakPolarHBondContact O-CB 3.3Å; G181-N184 PolarHBondContact O-N 2.91Å; G181-N184 VanDerWaalsContact O-N 3.13Å; G181-V185 WeakPolarHBondContact O-CG2 3.23Å; G181-V185 PolarHBondContact O-N 2.88Å |
| 182 | L | 65.9 | Low | 62.9 | Low | 72 Ų | 72 | 58.9 Ų | 58.9 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 176 | -173.8 | 67.2 | 0 | 0 | 0 | 111.1 | V178 N179 N184 V185 I186 | V178-L182 WeakPolarHBondContact O-CB 3.26Å; V178-L182 PolarHBondContact O-N 2.88Å; N179-L182 PolarHBondContact O-N 2.91Å; L182-N184 VanDerWaalsContact C-N 3.33Å; L182-N184 PolarHBondContact O-N 3.1Å; L182-V185 PolarHBondContact O-N 3.44Å; L182-V185 VanDerWaalsContact O-N 3.15Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 VanDerWaalsContact O-CG1 3.32Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.45Å |
| 183 | W | 63.6 | Low | 63.5 | Low | 48 Ų | 48 | 59.3 Ų | 59.3 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -40 | 177.6 | -151.2 | -113.7 | 0 | 0 | 0 | 113 | I128 N179 G181 V185 I186 V187 | I128-W183 HydrophobicContact CG2-CH2 3.41Å; I128-W183 VanDerWaalsContact CG2-CH2 3.41Å; I128-W183 HydrophobicContact CG2-CZ2 4.48Å; I128-W183 HydrophobicContact CG2-CZ3 3.98Å; N179-W183 WeakPolarHBondContact O-CB 3.28Å; N179-W183 PolarHBondContact O-N 3.44Å; G181-W183 VanDerWaalsContact C-N 3.29Å; G181-W183 PolarHBondContact O-N 2.86Å; W183-V185 VanDerWaalsContact C-N 3.35Å; W183-I186 HydrophobicContact CE3-CD1 4.09Å; W183-I186 HydrophobicContact CZ3-CD1 4.37Å; W183-I186 PolarHBondContact O-N 3.05Å; W183-V187 WeakPolarHBondContact O-CB 3.48Å; W183-V187 VanDerWaalsContact O-CG2 3.26Å; W183-V187 WeakPolarHBondContact O-CG2 3.32Å; W183-V187 PolarHBondContact O-N 2.88Å |
| 184 | N | 63.8 | Low | 63.8 | Low | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 174.2 | -83.1 | -23 | 0 | 0 | 0 | 111.7 | R45 R180 G181 L182 S188 | R45-N184 VanDerWaalsContact NH1-CG 3.27Å; R45-N184 PolarHBondContact NH1-ND2 2.92Å; R45-N184 PolarHBondContact NH1-OD1 3.4Å; R180-N184 PolarHBondContact O-N 3.49Å; G181-N184 WeakPolarHBondContact O-CB 3.3Å; G181-N184 PolarHBondContact O-N 2.91Å; G181-N184 VanDerWaalsContact O-N 3.13Å; L182-N184 VanDerWaalsContact C-N 3.33Å; L182-N184 PolarHBondContact O-N 3.1Å; N184-S188 WeakPolarHBondContact O-CB 3.5Å; N184-S188 PolarHBondContact O-N 3.26Å |
| 185 | V | 64.1 | Low | 64 | Low | 87 Ų | 87 | 58 Ų | 58 | 53% | 0.527 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 111 | G181 L182 W183 S188 T189 | G181-V185 WeakPolarHBondContact O-CG2 3.23Å; G181-V185 PolarHBondContact O-N 2.88Å; L182-V185 PolarHBondContact O-N 3.44Å; L182-V185 VanDerWaalsContact O-N 3.15Å; W183-V185 VanDerWaalsContact C-N 3.35Å; V185-S188 WeakPolarHBondContact O-CB 3.13Å; V185-T189 VanDerWaalsContact O-CB 3.3Å; V185-T189 WeakPolarHBondContact O-CB 3.47Å; V185-T189 PolarHBondContact O-N 3.08Å; V185-T189 PolarHBondContact O-OG1 3.39Å |
| 186 | I | 65.8 | Low | 64.2 | Low | 39 Ų | 39 | 56.3 Ų | 56.3 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -50.4 | 177.7 | -68.7 | 167.1 | 0 | 0 | 0 | 110.8 | I128 L182 W183 S188 T189 T190 | I128-I186 HydrophobicContact CD1-CG2 4.25Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 VanDerWaalsContact O-CG1 3.32Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.45Å; W183-I186 HydrophobicContact CE3-CD1 4.09Å; W183-I186 HydrophobicContact CZ3-CD1 4.37Å; W183-I186 PolarHBondContact O-N 3.05Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 2.91Å; I186-T189 PolarHBondContact O-N 3.35Å; I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 PolarHBondContact O-N 2.85Å; I186-T190 PolarHBondContact O-OG1 2.85Å |
| 187 | V | 66.6 | Low | 64.4 | Low | 18 Ų | 18 | 55.5 Ų | 55.5 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | -179.5 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | T13 V49 W183 T189 T190 C191 | T13-V187 HydrophobicContact CG2-CG1 3.95Å; V49-V187 HydrophobicContact CG1-CG2 4.41Å; V49-V187 HydrophobicContact CG2-CG1 3.86Å; V49-V187 HydrophobicContact CG2-CG2 4.26Å; W183-V187 WeakPolarHBondContact O-CB 3.48Å; W183-V187 VanDerWaalsContact O-CG2 3.26Å; W183-V187 WeakPolarHBondContact O-CG2 3.32Å; W183-V187 PolarHBondContact O-N 2.88Å; V187-T189 PolarHBondContact O-N 3.13Å; V187-T190 PolarHBondContact O-N 2.88Å; V187-C191 VanDerWaalsContact O-CB 3.3Å; V187-C191 WeakPolarHBondContact O-CB 3.32Å; V187-C191 PolarHBondContact O-N 3.07Å |
| 188 | S | 66.7 | Low | 64.6 | Low | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.5 | -53.7 | 172.4 | 151.6 | 0 | 0 | 0 | 0 | 112.7 | F14 N184 V185 I186 T190 C191 S192 | F14-S188 WeakPolarHBondContact CE2-OG 3.2Å; F14-S188 WeakPolarHBondContact CZ-OG 3.37Å; N184-S188 WeakPolarHBondContact O-CB 3.5Å; N184-S188 PolarHBondContact O-N 3.26Å; V185-S188 WeakPolarHBondContact O-CB 3.13Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-S188 PolarHBondContact O-N 2.91Å; S188-T190 VanDerWaalsContact C-N 3.34Å; S188-T190 PolarHBondContact O-N 3Å; S188-C191 WeakPolarHBondContact O-CB 3.25Å; S188-C191 PolarHBondContact O-N 2.94Å; S188-S192 WeakPolarHBondContact O-CB 3.21Å; S188-S192 PolarHBondContact O-N 2.82Å; S188-S192 PolarHBondContact O-OG 3Å |
| 189 | T | 64.3 | Low | 64.7 | Low | 67 Ų | 67 | 50.2 Ų | 50.2 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | -172.2 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | V185 I186 V187 C191 S192 I193 | V185-T189 VanDerWaalsContact O-CB 3.3Å; V185-T189 WeakPolarHBondContact O-CB 3.47Å; V185-T189 PolarHBondContact O-N 3.08Å; V185-T189 PolarHBondContact O-OG1 3.39Å; I186-T189 PolarHBondContact O-N 3.35Å; V187-T189 PolarHBondContact O-N 3.13Å; T189-C191 VanDerWaalsContact C-N 3.33Å; T189-C191 PolarHBondContact O-N 3.44Å; T189-S192 PolarHBondContact O-N 3.49Å; T189-I193 HydrophobicContact CG2-CD1 4.03Å; T189-I193 VanDerWaalsContact O-CG1 3.28Å; T189-I193 WeakPolarHBondContact O-CG1 3.08Å; T189-I193 PolarHBondContact O-N 3.45Å |
| 190 | T | 66.3 | Low | 64.8 | Low | 74 Ų | 74 | 52.3 Ų | 52.3 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.2 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | I186 V187 S188 I193 Q194 | I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 PolarHBondContact O-N 2.85Å; I186-T190 PolarHBondContact O-OG1 2.85Å; V187-T190 PolarHBondContact O-N 2.88Å; S188-T190 VanDerWaalsContact C-N 3.34Å; S188-T190 PolarHBondContact O-N 3Å; T190-I193 PolarHBondContact O-N 3.12Å; T190-Q194 WeakPolarHBondContact O-CB 3.43Å; T190-Q194 VanDerWaalsContact O-CG 3.26Å; T190-Q194 WeakPolarHBondContact O-CG 3.4Å; T190-Q194 PolarHBondContact O-N 3.41Å |
| 191 | C | 64.4 | Low | 64.7 | Low | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.2 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | A6 S9 M10 V187 S188 T189 Q194 F195 | A6-C191 PolarHBondContact O-SG 3.49Å; S9-C191 PolarHBondContact OG-SG 3.13Å; M10-C191 PolarHBondContact N-SG 3.02Å; V187-C191 VanDerWaalsContact O-CB 3.3Å; V187-C191 WeakPolarHBondContact O-CB 3.32Å; V187-C191 PolarHBondContact O-N 3.07Å; S188-C191 WeakPolarHBondContact O-CB 3.25Å; S188-C191 PolarHBondContact O-N 2.94Å; T189-C191 VanDerWaalsContact C-N 3.33Å; T189-C191 PolarHBondContact O-N 3.44Å; C191-Q194 PolarHBondContact O-N 3.12Å; C191-F195 WeakPolarHBondContact O-CB 3.14Å; C191-F195 PolarHBondContact O-N 3.37Å |
| 192 | S | 65.8 | Low | 64.8 | Low | 41 Ų | 41 | 51.8 Ų | 51.8 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S188 T189 F195 A196 | S188-S192 WeakPolarHBondContact O-CB 3.21Å; S188-S192 PolarHBondContact O-N 2.82Å; S188-S192 PolarHBondContact O-OG 3Å; T189-S192 PolarHBondContact O-N 3.49Å; S192-F195 PolarHBondContact O-N 3.41Å; S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3.48Å |
| 193 | I | 64.6 | Low | 64.8 | Low | 80 Ų | 80 | 52.7 Ų | 52.7 | 41% | 0.41 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.6 | -66.9 | 165.1 | 0 | 0 | 0 | 110.6 | L117 T189 T190 F195 A196 L197 | L117-I193 HydrophobicContact CD2-CG2 4.39Å; T189-I193 HydrophobicContact CG2-CD1 4.03Å; T189-I193 VanDerWaalsContact O-CG1 3.28Å; T189-I193 WeakPolarHBondContact O-CG1 3.08Å; T189-I193 PolarHBondContact O-N 3.45Å; T190-I193 PolarHBondContact O-N 3.12Å; I193-F195 VanDerWaalsContact C-N 3.33Å; I193-F195 PolarHBondContact O-N 3.45Å; I193-A196 PolarHBondContact O-N 2.82Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 VanDerWaalsContact O-CG 3.27Å; I193-L197 WeakPolarHBondContact O-CG 3.24Å; I193-L197 PolarHBondContact O-N 2.94Å |
| 194 | Q | 64.9 | Low | 64.6 | Low | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 177.8 | -73.4 | -72.9 | -10.1 | 0 | 0 | 112.9 | T190 C191 S198 | T190-Q194 WeakPolarHBondContact O-CB 3.43Å; T190-Q194 VanDerWaalsContact O-CG 3.26Å; T190-Q194 WeakPolarHBondContact O-CG 3.4Å; T190-Q194 PolarHBondContact O-N 3.41Å; C191-Q194 PolarHBondContact O-N 3.12Å; Q194-S198 PolarHBondContact O-N 3.3Å; Q194-S198 VanDerWaalsContact O-N 3.13Å; Q194-S198 PolarHBondContact O-OG 2.67Å |
| 195 | F | 64.9 | Low | 64.5 | Low | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.6 | -49.8 | 172.9 | 177.7 | -104.6 | 0 | 0 | 0 | 111.1 | A6 L7 C191 S192 I193 L197 S198 V199 | A6-F195 HydrophobicContact CB-CB 4.33Å; L7-F195 HydrophobicContact CD1-CE2 3.94Å; L7-F195 HydrophobicContact CD2-CD2 3.82Å; L7-F195 HydrophobicContact CD2-CE2 3.42Å; L7-F195 VanDerWaalsContact CD2-CE2 3.42Å; L7-F195 HydrophobicContact CD2-CZ 3.85Å; L7-F195 HydrophobicContact CG-CD2 3.85Å; L7-F195 HydrophobicContact CG-CE2 3.48Å; L7-F195 VanDerWaalsContact CG-CE2 3.48Å; L7-F195 HydrophobicContact CG-CZ 4.33Å; C191-F195 WeakPolarHBondContact O-CB 3.14Å; C191-F195 PolarHBondContact O-N 3.37Å; S192-F195 PolarHBondContact O-N 3.41Å; I193-F195 VanDerWaalsContact C-N 3.33Å; I193-F195 PolarHBondContact O-N 3.45Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 3.02Å; F195-S198 WeakPolarHBondContact O-CB 3.45Å; F195-S198 PolarHBondContact O-N 3.5Å; F195-V199 HydrophobicContact CD1-CG2 4.23Å; F195-V199 HydrophobicContact CD2-CG2 4.47Å; F195-V199 HydrophobicContact CE1-CG2 3.74Å; F195-V199 HydrophobicContact CE2-CG2 3.99Å; F195-V199 HydrophobicContact CZ-CG2 3.61Å; F195-V199 WeakPolarHBondContact O-CG2 3.32Å; F195-V199 PolarHBondContact O-N 3.48Å |
| 196 | A | 65.3 | Low | 64.5 | Low | 50 Ų | 50 | 51.4 Ų | 51.4 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.5 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S192 I193 S198 V199 V200 | S192-A196 WeakPolarHBondContact O-CB 3.3Å; S192-A196 PolarHBondContact O-N 3.48Å; I193-A196 PolarHBondContact O-N 2.82Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 2.83Å; A196-V199 PolarHBondContact O-N 3.06Å; A196-V200 WeakPolarHBondContact O-CG2 3.26Å; A196-V200 PolarHBondContact O-N 3.46Å |
| 197 | L | 65.2 | Low | 64.3 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 174.4 | -76.3 | 165.6 | 0 | 0 | 0 | 112.9 | F113 L117 I193 F195 V199 V200 A201 | F113-L197 HydrophobicContact CD1-CD2 4Å; F113-L197 HydrophobicContact CE1-CD2 3.5Å; F113-L197 VanDerWaalsContact CE1-CD2 3.5Å; F113-L197 HydrophobicContact CZ-CD2 4.46Å; L117-L197 HydrophobicContact CD1-CD1 3.76Å; L117-L197 HydrophobicContact CD1-CD2 3.41Å; L117-L197 VanDerWaalsContact CD1-CD2 3.41Å; L117-L197 HydrophobicContact CD1-CG 4.12Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 VanDerWaalsContact O-CG 3.27Å; I193-L197 WeakPolarHBondContact O-CG 3.24Å; I193-L197 PolarHBondContact O-N 2.94Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 3.02Å; L197-V199 VanDerWaalsContact C-N 3.35Å; L197-V200 PolarHBondContact O-N 3.37Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.3Å |
| 198 | S | 65.1 | Low | 63.8 | Low | 18 Ų | 18 | 60.9 Ų | 60.9 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.9 | -38 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | Q194 F195 A196 A201 I202 | Q194-S198 PolarHBondContact O-N 3.3Å; Q194-S198 VanDerWaalsContact O-N 3.13Å; Q194-S198 PolarHBondContact O-OG 2.67Å; F195-S198 WeakPolarHBondContact O-CB 3.45Å; F195-S198 PolarHBondContact O-N 3.5Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 2.83Å; S198-A201 PolarHBondContact O-N 2.62Å; S198-I202 WeakPolarHBondContact O-CG1 3.28Å; S198-I202 PolarHBondContact O-N 2.91Å; S198-I202 VanDerWaalsContact O-N 3.12Å |
| 199 | V | 64 | Low | 63.2 | Low | 54 Ų | 54 | 66.5 Ų | 66.5 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -47 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F195 A196 L197 A201 I202 L203 | F195-V199 HydrophobicContact CD1-CG2 4.23Å; F195-V199 HydrophobicContact CD2-CG2 4.47Å; F195-V199 HydrophobicContact CE1-CG2 3.74Å; F195-V199 HydrophobicContact CE2-CG2 3.99Å; F195-V199 HydrophobicContact CZ-CG2 3.61Å; F195-V199 WeakPolarHBondContact O-CG2 3.32Å; F195-V199 PolarHBondContact O-N 3.48Å; A196-V199 PolarHBondContact O-N 3.06Å; L197-V199 VanDerWaalsContact C-N 3.35Å; V199-A201 VanDerWaalsContact C-N 3.29Å; V199-A201 PolarHBondContact O-N 3.26Å; V199-I202 PolarHBondContact O-N 3.16Å; V199-I202 VanDerWaalsContact O-N 3.16Å; V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.41Å; V199-L203 WeakPolarHBondContact O-CG 3.27Å; V199-L203 PolarHBondContact O-N 3.27Å |
| 200 | V | 66.5 | Low | 62.8 | Low | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | A196 L197 I202 L203 Y204 | A196-V200 WeakPolarHBondContact O-CG2 3.26Å; A196-V200 PolarHBondContact O-N 3.46Å; L197-V200 PolarHBondContact O-N 3.37Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 2.93Å; V200-L203 PolarHBondContact O-N 2.73Å; V200-Y204 WeakPolarHBondContact O-CB 3.27Å; V200-Y204 PolarHBondContact O-N 3.34Å |
| 201 | A | 59.3 | Low | 62.1 | Low | 48 Ų | 48 | 69 Ų | 69 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L197 S198 V199 S205 | L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.3Å; S198-A201 PolarHBondContact O-N 2.62Å; V199-A201 VanDerWaalsContact C-N 3.29Å; V199-A201 PolarHBondContact O-N 3.26Å; A201-S205 PolarHBondContact O-N 2.83Å |
| 202 | I | 63 | Low | 61.4 | Low | 74 Ų | 74 | 71.7 Ų | 71.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68 | -51.9 | 177 | -67.5 | 164.5 | 0 | 0 | 0 | 110.5 | W3 S198 V199 V200 Y204 S205 S206 | W3-I202 HydrophobicContact CG-CD1 4.2Å; S198-I202 WeakPolarHBondContact O-CG1 3.28Å; S198-I202 PolarHBondContact O-N 2.91Å; S198-I202 VanDerWaalsContact O-N 3.12Å; V199-I202 PolarHBondContact O-N 3.16Å; V199-I202 VanDerWaalsContact O-N 3.16Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 2.93Å; I202-Y204 PolarHBondContact O-N 3.22Å; I202-S205 PolarHBondContact O-N 3.22Å; I202-S205 PolarHBondContact O-OG 2.76Å; I202-S206 PolarHBondContact O-N 3.5Å; I202-S206 PolarHBondContact O-OG 3.17Å |
| 203 | L | 66.6 | Low | 60.8 | Low | 91 Ų | 91 | 76.9 Ų | 76.9 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.6 | -45.5 | 178.3 | -71 | 173.8 | 0 | 0 | 0 | 110.2 | V199 V200 S205 S206 Y207 | V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.41Å; V199-L203 WeakPolarHBondContact O-CG 3.27Å; V199-L203 PolarHBondContact O-N 3.27Å; V200-L203 PolarHBondContact O-N 2.73Å; L203-S205 PolarHBondContact O-N 2.9Å; L203-S206 WeakPolarHBondContact O-CB 3.43Å; L203-S206 PolarHBondContact O-N 2.83Å; L203-Y207 HydrophobicContact CB-CE2 4.38Å; L203-Y207 WeakPolarHBondContact O-CD2 2.82Å; L203-Y207 PolarHBondContact O-N 3.3Å |
| 204 | Y | 60 | Low | 59.9 | Low | 54 Ų | 54 | 76.6 Ų | 76.6 | 21% | 0.212 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 175.4 | -168.5 | -102.1 | 0 | 0 | 0 | 111.7 | I107 L110 V200 I202 S206 Y207 F208 | I107-Y204 WeakPolarHBondContact CG1-OH 2.85Å; L110-Y204 HydrophobicContact CD2-CE1 4.44Å; V200-Y204 WeakPolarHBondContact O-CB 3.27Å; V200-Y204 PolarHBondContact O-N 3.34Å; I202-Y204 PolarHBondContact O-N 3.22Å; Y204-S206 VanDerWaalsContact C-N 3.28Å; Y204-S206 PolarHBondContact O-N 2.74Å; Y204-Y207 PolarHBondContact O-N 3.04Å; Y204-Y207 VanDerWaalsContact O-N 3.16Å; Y204-F208 AromaticContact CD1-CD2 3.9Å; Y204-F208 HydrophobicContact CD1-CD2 3.9Å; Y204-F208 AromaticContact CD1-CE2 3.61Å; Y204-F208 HydrophobicContact CD1-CE2 3.61Å; Y204-F208 AromaticContact CD2-CE2 3.82Å; Y204-F208 HydrophobicContact CD2-CE2 3.82Å; Y204-F208 AromaticContact CE1-CD2 3.72Å; Y204-F208 HydrophobicContact CE1-CD2 3.72Å; Y204-F208 AromaticContact CE1-CE2 3.13Å; Y204-F208 HydrophobicContact CE1-CE2 3.13Å; Y204-F208 AromaticContact CE1-CZ 3.87Å; Y204-F208 HydrophobicContact CE1-CZ 3.87Å; Y204-F208 HydrophobicContact CE2-CD2 4.47Å; Y204-F208 AromaticContact CE2-CE2 3.36Å; Y204-F208 HydrophobicContact CE2-CE2 3.36Å; Y204-F208 AromaticContact CE2-CZ 3.87Å; Y204-F208 HydrophobicContact CE2-CZ 3.87Å; Y204-F208 HydrophobicContact CG-CD2 4.37Å; Y204-F208 AromaticContact CG-CE2 3.93Å; Y204-F208 HydrophobicContact CG-CE2 3.93Å; Y204-F208 AromaticContact CZ-CE2 2.99Å; Y204-F208 AromaticContact CZ-CZ 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.39Å; Y204-F208 PolarHBondContact O-N 3.41Å; Y204-F208 VanDerWaalsContact OH-CE2 3.26Å; Y204-F208 WeakPolarHBondContact OH-CE2 3.2Å; Y204-F208 WeakPolarHBondContact OH-CZ 3.44Å |
| 205 | S | 60.9 | Low | 58.7 | Low | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 177.4 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | A201 I202 L203 F208 Q209 | A201-S205 PolarHBondContact O-N 2.83Å; I202-S205 PolarHBondContact O-N 3.22Å; I202-S205 PolarHBondContact O-OG 2.76Å; L203-S205 PolarHBondContact O-N 2.9Å; S205-F208 PolarHBondContact O-N 2.85Å; S205-Q209 WeakPolarHBondContact O-CG 3.45Å; S205-Q209 PolarHBondContact O-N 2.99Å |
| 206 | S | 65.3 | Low | 58.4 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 112 | I202 L203 Y204 F208 Q209 T210 | I202-S206 PolarHBondContact O-N 3.5Å; I202-S206 PolarHBondContact O-OG 3.17Å; L203-S206 WeakPolarHBondContact O-CB 3.43Å; L203-S206 PolarHBondContact O-N 2.83Å; Y204-S206 VanDerWaalsContact C-N 3.28Å; Y204-S206 PolarHBondContact O-N 2.74Å; S206-F208 VanDerWaalsContact C-N 3.27Å; S206-F208 PolarHBondContact O-N 2.92Å; S206-Q209 PolarHBondContact O-N 3.46Å; S206-T210 PolarHBondContact O-N 3.35Å; S206-T210 PolarHBondContact O-OG1 3.33Å; S206-T210 VanDerWaalsContact O-OG1 3.13Å |
| 207 | Y | 60.6 | Low | 58.1 | Low | 165 Ų | 165 | 83.8 Ų | 83.8 | 65% | 0.647 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -34.1 | 176.2 | -77.4 | -70.1 | 0 | 0 | 0 | 113 | L203 Y204 S211 | L203-Y207 HydrophobicContact CB-CE2 4.38Å; L203-Y207 WeakPolarHBondContact O-CD2 2.82Å; L203-Y207 PolarHBondContact O-N 3.3Å; Y204-Y207 PolarHBondContact O-N 3.04Å; Y204-Y207 VanDerWaalsContact O-N 3.16Å; Y207-S211 PolarHBondContact O-N 3.03Å; Y207-S211 PolarHBondContact O-OG 3.32Å |
| 208 | F | 56.3 | Low | 57.7 | Low | 91 Ų | 91 | 86.3 Ų | 86.3 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76 | -34.5 | 175.5 | -74.6 | -80.2 | 0 | 0 | 0 | 113.2 | Y204 S205 S206 S211 A212 | Y204-F208 AromaticContact CD1-CD2 3.9Å; Y204-F208 HydrophobicContact CD1-CD2 3.9Å; Y204-F208 AromaticContact CD1-CE2 3.61Å; Y204-F208 HydrophobicContact CD1-CE2 3.61Å; Y204-F208 AromaticContact CD2-CE2 3.82Å; Y204-F208 HydrophobicContact CD2-CE2 3.82Å; Y204-F208 AromaticContact CE1-CD2 3.72Å; Y204-F208 HydrophobicContact CE1-CD2 3.72Å; Y204-F208 AromaticContact CE1-CE2 3.13Å; Y204-F208 HydrophobicContact CE1-CE2 3.13Å; Y204-F208 AromaticContact CE1-CZ 3.87Å; Y204-F208 HydrophobicContact CE1-CZ 3.87Å; Y204-F208 HydrophobicContact CE2-CD2 4.47Å; Y204-F208 AromaticContact CE2-CE2 3.36Å; Y204-F208 HydrophobicContact CE2-CE2 3.36Å; Y204-F208 AromaticContact CE2-CZ 3.87Å; Y204-F208 HydrophobicContact CE2-CZ 3.87Å; Y204-F208 HydrophobicContact CG-CD2 4.37Å; Y204-F208 AromaticContact CG-CE2 3.93Å; Y204-F208 HydrophobicContact CG-CE2 3.93Å; Y204-F208 AromaticContact CZ-CE2 2.99Å; Y204-F208 AromaticContact CZ-CZ 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.39Å; Y204-F208 PolarHBondContact O-N 3.41Å; Y204-F208 VanDerWaalsContact OH-CE2 3.26Å; Y204-F208 WeakPolarHBondContact OH-CE2 3.2Å; Y204-F208 WeakPolarHBondContact OH-CZ 3.44Å; S205-F208 PolarHBondContact O-N 2.85Å; S206-F208 VanDerWaalsContact C-N 3.27Å; S206-F208 PolarHBondContact O-N 2.92Å; F208-S211 PolarHBondContact O-N 2.91Å; F208-A212 PolarHBondContact O-N 2.87Å |
| 209 | Q | 54.4 | Low | 57.2 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 177.4 | -73.6 | 179.7 | -10.8 | 0 | 0 | 111.3 | S205 S206 S211 A212 | S205-Q209 WeakPolarHBondContact O-CG 3.45Å; S205-Q209 PolarHBondContact O-N 2.99Å; S206-Q209 PolarHBondContact O-N 3.46Å; Q209-S211 VanDerWaalsContact C-N 3.33Å; Q209-S211 PolarHBondContact O-N 3.12Å; Q209-A212 PolarHBondContact O-N 3.01Å |
| 210 | T | 54.8 | Low | 56.8 | Low | 107 Ų | 107 | 92.6 Ų | 92.6 | 66% | 0.656 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | S206 A212 I213 | S206-T210 PolarHBondContact O-N 3.35Å; S206-T210 PolarHBondContact O-OG1 3.33Å; S206-T210 VanDerWaalsContact O-OG1 3.13Å; T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 PolarHBondContact O-N 3.41Å; T210-I213 PolarHBondContact O-N 2.98Å |
| 211 | S | 53 | Low | 56.2 | Low | 87 Ų | 87 | 93.9 Ų | 93.9 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -24.5 | 177.8 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | Y207 F208 Q209 | Y207-S211 PolarHBondContact O-N 3.03Å; Y207-S211 PolarHBondContact O-OG 3.32Å; F208-S211 PolarHBondContact O-N 2.91Å; Q209-S211 VanDerWaalsContact C-N 3.33Å; Q209-S211 PolarHBondContact O-N 3.12Å |
| 212 | A | 48.9 | Very low | 55.9 | Low | 68 Ų | 68 | 97.1 Ų | 97.1 | 56% | 0.562 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -86.5 | -13.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F208 Q209 T210 | F208-A212 PolarHBondContact O-N 2.87Å; Q209-A212 PolarHBondContact O-N 3.01Å; T210-A212 VanDerWaalsContact C-N 3.27Å; T210-A212 PolarHBondContact O-N 3.41Å |
| 213 | I | 52.5 | Low | 55.4 | Low | 150 Ų | 150 | 98.9 Ų | 98.9 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -91.2 | -10.3 | 178.8 | -62.7 | 167.8 | 0 | 0 | 0 | 111 | T210 | T210-I213 PolarHBondContact O-N 2.98Š|
| 214 | G | 47.4 | Very low | 54.5 | Low | 74 Ų | 74 | 99.6 Ų | 99.6 | 76% | 0.763 | 59% | 0.592 | S | S | * | * | trans | -103.9 | 14.3 | -176 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 215 | S | 39.5 | Very low | 54 | Low | 162 Ų | 162 | 103.7 Ų | 103.7 | 100% | 1.133 | 63% | 0.626 | S | S | * | * | trans | -125.5 | 0 | 173.5 | 70.4 | 0 | 0 | 0 | 0 | 111 |
Retrieved 215 of 215 residues in 100 ms
(Link to these results)