| 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 | 32.6 | Very low | 49.6 | Very low | 243 Ų | 243 | 129.3 Ų | 129.3 | 100% | 1.197 | 70% | 0.703 | S | S | * | * | 0 | 102.2 | 0 | -75.7 | 175.5 | 168.8 | 0 | 0 | 108.4 | K3 | M1-K3 PolarHBondContact O-N 2.82Š| |||
| 2 | A | 31.2 | Very low | 51.7 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | trans | -65 | 119.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q4 | A2-Q4 PolarHBondContact O-N 2.88Š| ||
| 3 | K | 33 | Very low | 53.5 | Low | 205 Ų | 205 | 113.5 Ų | 113.5 | 89% | 0.891 | 62% | 0.617 | S | S | * | * | trans | -54.6 | 115.3 | 171.3 | -87.3 | 179.3 | 173.5 | 178.3 | 0 | 107.2 | M1 | M1-K3 PolarHBondContact O-N 2.82Š| ||
| 4 | Q | 35.3 | Very low | 55.2 | Low | 170 Ų | 170 | 116.1 Ų | 116.1 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -51.2 | 134 | 165.3 | -74.6 | 177 | -18 | 0 | 0 | 107.6 | A2 Q6 | A2-Q4 PolarHBondContact O-N 2.88Å; Q4-Q6 PolarHBondContact O-N 3.37Å | ||
| 5 | P | 39.8 | Very low | 57 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 74% | 0.74 | 61% | 0.609 | S | S | * | * | trans | -61.5 | 105.1 | 174.2 | 23.8 | -29.2 | 0 | 0 | 0 | 107.3 | ||||
| 6 | Q | 46.1 | Very low | 58.3 | Low | 161 Ų | 161 | 108.2 Ų | 108.2 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | trans | -54.4 | 127.1 | 173.6 | -74.2 | -87.5 | -3.6 | 0 | 0 | 107.4 | Q4 I8 | Q4-Q6 PolarHBondContact O-N 3.37Å; Q6-I8 PolarHBondContact O-N 3.04Å | ||
| 7 | P | 51.6 | Low | 59.2 | Low | 121 Ų | 121 | 103.7 Ų | 103.7 | 79% | 0.786 | 56% | 0.557 | S | S | * | * | trans | -59.7 | 114.5 | 176.7 | 24.1 | -31 | 0 | 0 | 0 | 107.6 | S9 | P7-S9 PolarHBondContact O-N 3.34Š| ||
| 8 | I | 57.8 | Low | 60.3 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | trans | -70.2 | 124.8 | -172.7 | -53.4 | 172.7 | 0 | 0 | 0 | 108.2 | Q6 K12 N13 I209 M291 | Q6-I8 PolarHBondContact O-N 3.04Å; I8-K12 HydrophobicContact CG2-CB 4.46Å; I8-N13 WeakPolarHBondContact CG2-OD1 3.4Å; I8-N13 PolarHBondContact O-ND2 3.41Å; I8-I209 HydrophobicContact CB-CD1 4.36Å; I8-I209 HydrophobicContact CD1-CD1 3.69Å; I8-I209 HydrophobicContact CD1-CG1 4.37Å; I8-I209 HydrophobicContact CG2-CD1 4.22Å; I8-M291 HydrophobicContact CD1-CE 4.37Å; I8-M291 HydrophobicContact CG2-CE 3.33Å; I8-M291 HydrophobicContact CG2-SD 4.41Å | ||
| 9 | S | 72.1 | Confident | 61.5 | Low | 19 Ų | 19 | 100.4 Ų | 100.4 | 13% | 0.133 | 55% | 0.545 | C | S | . | . | trans | -51.6 | 131.4 | -179 | 168 | 0 | 0 | 0 | 0 | 112.7 | P7 M11 K12 N13 L301 | P7-S9 PolarHBondContact O-N 3.34Å; S9-M11 PolarHBondContact O-N 2.88Å; S9-M11 VanDerWaalsContact O-N 3.13Å; S9-M11 PolarHBondContact OG-N 3.43Å; S9-K12 PolarHBondContact O-N 2.71Å; S9-K12 VanDerWaalsContact O-N 3.07Å; S9-N13 VanDerWaalsContact O-CG 3.3Å; S9-N13 PolarHBondContact O-N 3.04Å; S9-N13 VanDerWaalsContact O-N 3.11Å; S9-N13 PolarHBondContact O-ND2 3.46Å; S9-L301 WeakPolarHBondContact CB-O 3.28Å; S9-L301 WeakPolarHBondContact CB-OXT 3.41Å; S9-L301 VanDerWaalsContact OG-C 3.31Å; S9-L301 PolarHBondContact OG-O 3Å; S9-L301 PolarHBondContact OG-OXT 3.46Å | ||
| 10 | P | 71.6 | Confident | 62.3 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.1 | -32.5 | 175.4 | -27.2 | 34.8 | 0 | 0 | 0 | 113.6 | N13 F14 | P10-N13 PolarHBondContact O-N 2.93Å; P10-F14 WeakPolarHBondContact O-CB 3.4Å; P10-F14 PolarHBondContact O-N 3.5Å |
| 11 | M | 74 | Confident | 63 | Low | 104 Ų | 104 | 92.3 Ų | 92.3 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 177.4 | -75.8 | -169.7 | 62.9 | 0 | 0 | 112.2 | S9 N13 F14 F15 L301 | S9-M11 PolarHBondContact O-N 2.88Å; S9-M11 VanDerWaalsContact O-N 3.13Å; S9-M11 PolarHBondContact OG-N 3.43Å; M11-N13 PolarHBondContact O-N 2.97Å; M11-F14 WeakPolarHBondContact O-CB 3.41Å; M11-F14 PolarHBondContact O-N 2.78Å; M11-F15 HydrophobicContact CE-CE2 3.92Å; M11-F15 WeakPolarHBondContact O-CD2 3.36Å; M11-F15 PolarHBondContact O-N 3.34Å; M11-L301 HydrophobicContact CB-CD2 4.25Å; M11-L301 HydrophobicContact CE-CD2 4.47Å |
| 12 | K | 75.6 | Confident | 65.4 | Low | 9 Ų | 9 | 83.5 Ų | 83.5 | 4% | 0.039 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 174.8 | -72.7 | 178.7 | 168.5 | 137.3 | 0 | 111.1 | I8 S9 F15 A16 M291 L294 A298 P299 L301 | I8-K12 HydrophobicContact CG2-CB 4.46Å; S9-K12 PolarHBondContact O-N 2.71Å; S9-K12 VanDerWaalsContact O-N 3.07Å; K12-F15 PolarHBondContact O-N 3.48Å; K12-A16 VanDerWaalsContact O-CB 3.22Å; K12-A16 WeakPolarHBondContact O-CB 3.32Å; K12-A16 PolarHBondContact O-N 3Å; K12-M291 HydrophobicContact CB-CE 4.49Å; K12-M291 HydrophobicContact CB-SD 4.36Å; K12-L294 HydrophobicContact CB-CD1 4.4Å; K12-L294 HydrophobicContact CG-CB 4.32Å; K12-A298 WeakPolarHBondContact CE-O 3.44Å; K12-A298 PolarHBondContact NZ-O 3.46Å; K12-P299 VanDerWaalsContact NZ-C 3.35Å; K12-P299 PolarHBondContact NZ-O 3.31Å; K12-L301 HydrophobicContact CD-CB 4.48Å; K12-L301 WeakPolarHBondContact CD-O 3.3Å; K12-L301 VanDerWaalsContact CE-O 3.24Å; K12-L301 WeakPolarHBondContact CE-O 3.48Å; K12-L301 HydrophobicContact CG-CB 4.2Å; K12-L301 HydrophobicContact CG-CD2 4.32Å; K12-L301 PolarHBondContact NZ-O 2.84Å |
| 13 | N | 75.1 | Confident | 67.9 | Low | 45 Ų | 45 | 80.1 Ų | 80.1 | 24% | 0.241 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 178.4 | -60.9 | -19.3 | 0 | 0 | 0 | 112.2 | I8 S9 P10 M11 G17 I209 | I8-N13 WeakPolarHBondContact CG2-OD1 3.4Å; I8-N13 PolarHBondContact O-ND2 3.41Å; S9-N13 VanDerWaalsContact O-CG 3.3Å; S9-N13 PolarHBondContact O-N 3.04Å; S9-N13 VanDerWaalsContact O-N 3.11Å; S9-N13 PolarHBondContact O-ND2 3.46Å; P10-N13 PolarHBondContact O-N 2.93Å; M11-N13 PolarHBondContact O-N 2.97Å; N13-G17 WeakPolarHBondContact O-CA 3.45Å; N13-G17 PolarHBondContact O-N 2.77Å; N13-I209 HydrophobicContact CB-CD1 4.24Å; N13-I209 WeakPolarHBondContact OD1-CD1 3.16Å |
| 14 | F | 77.2 | Confident | 70.2 | Confident | 149 Ų | 149 | 73.1 Ų | 73.1 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.7 | -49.1 | 175.7 | 179.5 | -97 | 0 | 0 | 0 | 111.5 | P10 M11 G18 | P10-F14 WeakPolarHBondContact O-CB 3.4Å; P10-F14 PolarHBondContact O-N 3.5Å; M11-F14 WeakPolarHBondContact O-CB 3.41Å; M11-F14 PolarHBondContact O-N 2.78Å; F14-G18 PolarHBondContact O-N 3.43Å |
| 15 | F | 81.6 | Confident | 72.4 | Confident | 106 Ų | 106 | 66.2 Ų | 66.2 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 179.8 | -72.2 | -64.9 | 0 | 0 | 0 | 112.7 | M11 K12 G18 F19 L294 | M11-F15 HydrophobicContact CE-CE2 3.92Å; M11-F15 WeakPolarHBondContact O-CD2 3.36Å; M11-F15 PolarHBondContact O-N 3.34Å; K12-F15 PolarHBondContact O-N 3.48Å; F15-G18 PolarHBondContact O-N 2.9Å; F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.31Å; F15-L294 HydrophobicContact CB-CD1 3.89Å |
| 16 | A | 78.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K12 F19 G20 F287 A290 M291 L294 | K12-A16 VanDerWaalsContact O-CB 3.22Å; K12-A16 WeakPolarHBondContact O-CB 3.32Å; K12-A16 PolarHBondContact O-N 3Å; A16-F19 PolarHBondContact O-N 3.36Å; A16-G20 PolarHBondContact O-N 3.33Å; A16-F287 HydrophobicContact CB-CD2 3.65Å; A16-F287 HydrophobicContact CB-CE2 3.5Å; A16-F287 VanDerWaalsContact CB-CE2 3.5Å; A16-F287 HydrophobicContact CB-CZ 4.3Å; A16-A290 HydrophobicContact CB-CB 3.91Å; A16-M291 HydrophobicContact CB-CG 3.62Å; A16-M291 HydrophobicContact CB-SD 3.47Å; A16-M291 WeakPolarHBondContact CB-SD 3.43Å; A16-L294 HydrophobicContact CB-CD1 4.24Å |
| 17 | G | 73.5 | Confident | 76.3 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | N13 G20 G21 | N13-G17 WeakPolarHBondContact O-CA 3.45Å; N13-G17 PolarHBondContact O-N 2.77Å; G17-G20 PolarHBondContact O-N 3.33Å; G17-G21 PolarHBondContact O-N 3.31Å |
| 18 | G | 79.2 | Confident | 77.6 | Confident | 44 Ų | 44 | 52 Ų | 52 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F14 F15 G21 V22 | F14-G18 PolarHBondContact O-N 3.43Å; F15-G18 PolarHBondContact O-N 2.9Å; G18-G21 PolarHBondContact O-N 2.88Å; G18-V22 WeakPolarHBondContact O-CG2 3.43Å; G18-V22 PolarHBondContact O-N 3.19Å |
| 19 | F | 82.3 | Confident | 78.7 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.1 | -172.5 | -97.9 | 0 | 0 | 0 | 112.2 | F15 A16 G21 V22 C23 G286 A290 | F15-F19 WeakPolarHBondContact O-CB 3.22Å; F15-F19 PolarHBondContact O-N 3.31Å; A16-F19 PolarHBondContact O-N 3.36Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.37Å; F19-V22 PolarHBondContact O-N 3.08Å; F19-V22 VanDerWaalsContact O-N 3.12Å; F19-C23 WeakPolarHBondContact CE1-SG 3.11Å; F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 2.95Å; F19-C23 VanDerWaalsContact O-SG 3.39Å; F19-G286 WeakPolarHBondContact CD1-O 3.46Å; F19-A290 HydrophobicContact CB-CB 4Å; F19-A290 HydrophobicContact CD1-CB 3.69Å; F19-A290 HydrophobicContact CE1-CB 4.47Å; F19-A290 HydrophobicContact CG-CB 4.06Å |
| 20 | G | 78.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | A16 G17 V22 C23 L24 C283 | A16-G20 PolarHBondContact O-N 3.33Å; G17-G20 PolarHBondContact O-N 3.33Å; G20-V22 PolarHBondContact O-N 3.06Å; G20-C23 WeakPolarHBondContact O-CB 3.42Å; G20-C23 PolarHBondContact O-N 3.37Å; G20-L24 PolarHBondContact O-N 2.86Å; G20-C283 VanDerWaalsContact C-SG 3.59Å; G20-C283 PolarHBondContact O-SG 3Å |
| 21 | G | 76.1 | Confident | 79.7 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G17 G18 F19 L24 V25 | G17-G21 PolarHBondContact O-N 3.31Å; G18-G21 PolarHBondContact O-N 2.88Å; F19-G21 VanDerWaalsContact C-N 3.29Å; F19-G21 PolarHBondContact O-N 3.37Å; G21-L24 WeakPolarHBondContact O-CB 3.49Å; G21-L24 PolarHBondContact O-N 3.47Å; G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.1Å; G21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | V | 83.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 173 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | G18 F19 G20 L24 V25 V26 | G18-V22 WeakPolarHBondContact O-CG2 3.43Å; G18-V22 PolarHBondContact O-N 3.19Å; F19-V22 PolarHBondContact O-N 3.08Å; F19-V22 VanDerWaalsContact O-N 3.12Å; G20-V22 PolarHBondContact O-N 3.06Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.99Å; V22-V25 PolarHBondContact O-N 2.9Å; V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.11Å; V22-V26 PolarHBondContact O-N 3.46Å |
| 23 | C | 83.7 | Confident | 79.9 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -39.9 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | F19 G20 V26 A27 A282 | F19-C23 WeakPolarHBondContact CE1-SG 3.11Å; F19-C23 PolarHBondContact O-N 3.41Å; F19-C23 PolarHBondContact O-SG 2.95Å; F19-C23 VanDerWaalsContact O-SG 3.39Å; G20-C23 WeakPolarHBondContact O-CB 3.42Å; G20-C23 PolarHBondContact O-N 3.37Å; C23-V26 PolarHBondContact O-N 3.39Å; C23-A27 WeakPolarHBondContact O-CB 3.29Å; C23-A27 PolarHBondContact O-N 3.38Å; C23-A282 WeakPolarHBondContact CB-O 3.4Å |
| 24 | L | 81.3 | Confident | 80.1 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 173.9 | -177.5 | 154 | 0 | 0 | 0 | 111.1 | G20 G21 V22 A27 G28 A279 C283 | G20-L24 PolarHBondContact O-N 2.86Å; G21-L24 WeakPolarHBondContact O-CB 3.49Å; G21-L24 PolarHBondContact O-N 3.47Å; V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.99Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-G28 PolarHBondContact O-N 3.27Å; L24-A279 HydrophobicContact CG-CB 4.32Å; L24-C283 HydrophobicContact CB-CB 3.94Å; L24-C283 HydrophobicContact CD1-CB 3.95Å; L24-C283 HydrophobicContact CG-CB 4.42Å |
| 25 | V | 80.4 | Confident | 80.2 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | G21 V22 A27 G28 H29 M75 P78 I79 | G21-V25 WeakPolarHBondContact O-CG2 3.49Å; G21-V25 PolarHBondContact O-N 3.1Å; G21-V25 VanDerWaalsContact O-N 3.08Å; V22-V25 PolarHBondContact O-N 2.9Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.87Å; V25-G28 PolarHBondContact O-N 3.06Å; V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 3.24Å; V25-M75 HydrophobicContact CG1-CG 3.76Å; V25-M75 HydrophobicContact CG1-SD 4.17Å; V25-P78 HydrophobicContact CG1-CG 4.48Å; V25-I79 HydrophobicContact CG1-CG1 4.08Å |
| 26 | V | 83.9 | Confident | 79.6 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 179.9 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | V22 C23 P30 Y72 M75 | V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 WeakPolarHBondContact O-CB 3.42Å; V22-V26 VanDerWaalsContact O-CG2 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.11Å; V22-V26 PolarHBondContact O-N 3.46Å; C23-V26 PolarHBondContact O-N 3.39Å; V26-P30 VanDerWaalsContact O-CD 3.31Å; V26-P30 WeakPolarHBondContact O-CD 3.31Å; V26-Y72 HydrophobicContact CG1-CE1 3.97Å; V26-Y72 WeakPolarHBondContact O-CE1 3.4Å; V26-M75 HydrophobicContact CG2-CE 4.2Å; V26-M75 HydrophobicContact CG2-SD 3.91Å |
| 27 | A | 84.3 | Confident | 79.3 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73 | -36 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C23 L24 V25 A282 | C23-A27 WeakPolarHBondContact O-CB 3.29Å; C23-A27 PolarHBondContact O-N 3.38Å; L24-A27 PolarHBondContact O-N 2.86Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.87Å; A27-A282 HydrophobicContact CB-CB 3.33Å |
| 28 | G | 78.6 | Confident | 79.3 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.9 | -31.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L24 V25 P30 L31 D32 | L24-G28 PolarHBondContact O-N 3.27Å; V25-G28 PolarHBondContact O-N 3.06Å; G28-P30 VanDerWaalsContact C-CD 3.5Å; G28-L31 PolarHBondContact O-N 3.35Å; G28-L31 VanDerWaalsContact O-N 3.13Å; G28-D32 PolarHBondContact O-N 2.91Å; G28-D32 VanDerWaalsContact O-N 3.11Å |
| 29 | H | 81.6 | Confident | 78.5 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -34.4 | -169.5 | -164.9 | 86.2 | 0 | 0 | 0 | 114.9 | V25 L31 D32 T33 L71 K73 M75 | V25-H29 WeakPolarHBondContact O-CB 3.4Å; V25-H29 PolarHBondContact O-N 3.24Å; H29-L31 PolarHBondContact O-N 3.47Å; H29-D32 PolarHBondContact O-N 3.09Å; H29-T33 PolarHBondContact CD2-OG1 3.48Å; H29-T33 PolarHBondContact NE2-OG1 3.49Å; H29-T33 WeakPolarHBondContact O-CB 3.4Å; H29-T33 PolarHBondContact O-N 3.16Å; H29-T33 PolarHBondContact O-OG1 3.36Å; H29-L71 PolarHBondContact CD2-O 2.94Å; H29-L71 VanDerWaalsContact CD2-O 3.24Å; H29-K73 PolarHBondContact NE2-O 3.3Å; H29-M75 HydrophobicContact CB-CG 4.37Å; H29-M75 HydrophobicContact CB-SD 4.24Å; H29-M75 VanDerWaalsContact CE1-CA 3.48Å; H29-M75 WeakPolarHBondContact CE1-CA 3.48Å |
| 30 | P | 83.1 | Confident | 77.6 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 173.3 | -27.6 | 36.8 | 0 | 0 | 0 | 113.2 | V26 G28 T33 I34 L71 Y72 | V26-P30 VanDerWaalsContact O-CD 3.31Å; V26-P30 WeakPolarHBondContact O-CD 3.31Å; G28-P30 VanDerWaalsContact C-CD 3.5Å; P30-T33 PolarHBondContact O-N 2.89Å; P30-I34 WeakPolarHBondContact O-CD1 3.44Å; P30-I34 VanDerWaalsContact O-CG1 3.27Å; P30-I34 WeakPolarHBondContact O-CG1 3.35Å; P30-I34 PolarHBondContact O-N 2.91Å; P30-L71 HydrophobicContact CB-CB 4.21Å; P30-L71 HydrophobicContact CG-CB 4.47Å; P30-Y72 HydrophobicContact CG-CE1 3.93Å; P30-Y72 HydrophobicContact CG-CE2 4.42Å |
| 31 | L | 81.8 | Confident | 77 | Confident | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 177.3 | -67.6 | 176 | 0 | 0 | 0 | 111.2 | G28 H29 T33 I34 K35 R275 | G28-L31 PolarHBondContact O-N 3.35Å; G28-L31 VanDerWaalsContact O-N 3.13Å; H29-L31 PolarHBondContact O-N 3.47Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.33Å; L31-I34 PolarHBondContact O-N 3.26Å; L31-K35 VanDerWaalsContact O-CB 3.29Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 2.71Å; L31-R275 HydrophobicContact CD1-CG 4.31Å |
| 32 | D | 77.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 176.3 | -68 | -16.9 | 0 | 0 | 0 | 111.2 | G28 H29 K35 V36 R275 | G28-D32 PolarHBondContact O-N 2.91Å; G28-D32 VanDerWaalsContact O-N 3.11Å; H29-D32 PolarHBondContact O-N 3.09Å; D32-K35 PolarHBondContact O-N 3.27Å; D32-V36 VanDerWaalsContact O-CG2 3.3Å; D32-V36 WeakPolarHBondContact O-CG2 3.12Å; D32-V36 PolarHBondContact O-N 2.74Å; D32-R275 IonicContact OD1-CZ 2.76Å; D32-R275 IonicContact OD1-NH1 3.46Å; D32-R275 PolarHBondContact OD1-NH1 2.9Å; D32-R275 IonicContact OD2-NH1 3.77Å; D32-R275 PolarHBondContact OD2-NH1 3.47Å; D32-R275 VanDerWaalsContact OD2-NH1 3.14Å |
| 33 | T | 76.6 | Confident | 75.8 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | H29 P30 L31 V36 R37 L71 | H29-T33 PolarHBondContact CD2-OG1 3.48Å; H29-T33 PolarHBondContact NE2-OG1 3.49Å; H29-T33 WeakPolarHBondContact O-CB 3.4Å; H29-T33 PolarHBondContact O-N 3.16Å; H29-T33 PolarHBondContact O-OG1 3.36Å; P30-T33 PolarHBondContact O-N 2.89Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.33Å; T33-V36 PolarHBondContact O-N 3.23Å; T33-R37 WeakPolarHBondContact O-CG 3.32Å; T33-R37 PolarHBondContact O-N 3.32Å; T33-L71 PolarHBondContact OG1-O 2.84Å; T33-L71 VanDerWaalsContact OG1-O 3.04Å |
| 34 | I | 79.9 | Confident | 75.2 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.8 | -63.1 | 158 | 0 | 0 | 0 | 110.6 | P30 L31 V36 R37 L38 T55 C58 F59 L71 | P30-I34 WeakPolarHBondContact O-CD1 3.44Å; P30-I34 VanDerWaalsContact O-CG1 3.27Å; P30-I34 WeakPolarHBondContact O-CG1 3.35Å; P30-I34 PolarHBondContact O-N 2.91Å; L31-I34 PolarHBondContact O-N 3.26Å; I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 PolarHBondContact O-N 3.22Å; I34-R37 PolarHBondContact O-N 3.06Å; I34-L38 HydrophobicContact CG2-CD1 4.03Å; I34-L38 HydrophobicContact CG2-CG 4.33Å; I34-L38 WeakPolarHBondContact O-CB 3.37Å; I34-L38 WeakPolarHBondContact O-CG 3.21Å; I34-L38 PolarHBondContact O-N 3.06Å; I34-T55 HydrophobicContact CG2-CG2 3.7Å; I34-C58 HydrophobicContact CG2-CB 3.94Å; I34-F59 HydrophobicContact CD1-CB 4Å; I34-F59 HydrophobicContact CD1-CD2 3.74Å; I34-F59 HydrophobicContact CD1-CG 4.31Å; I34-L71 HydrophobicContact CG1-CD2 4.39Å |
| 35 | K | 77.4 | Confident | 74.8 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 176.9 | 178.6 | -177.4 | 178.8 | -177.7 | 0 | 110.9 | L31 D32 L38 Q39 | L31-K35 VanDerWaalsContact O-CB 3.29Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 PolarHBondContact O-N 2.71Å; D32-K35 PolarHBondContact O-N 3.27Å; K35-L38 PolarHBondContact O-N 2.92Å; K35-Q39 HydrophobicContact CG-CG 4.5Å; K35-Q39 WeakPolarHBondContact O-CB 3.48Å; K35-Q39 VanDerWaalsContact O-CG 3.22Å; K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 2.77Å |
| 36 | V | 70.4 | Confident | 74.1 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 26% | 0.255 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | D32 T33 I34 L38 Q39 T40 | D32-V36 VanDerWaalsContact O-CG2 3.3Å; D32-V36 WeakPolarHBondContact O-CG2 3.12Å; D32-V36 PolarHBondContact O-N 2.74Å; T33-V36 PolarHBondContact O-N 3.23Å; I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 PolarHBondContact O-N 3.22Å; V36-L38 VanDerWaalsContact C-N 3.3Å; V36-L38 PolarHBondContact O-N 3.02Å; V36-Q39 CarbonylContact O-C 3.59Å; V36-Q39 PolarHBondContact O-N 3.38Å; V36-T40 HydrophobicContact CG1-CG2 3.92Å; V36-T40 WeakPolarHBondContact O-CB 3.16Å; V36-T40 VanDerWaalsContact O-CG2 3.26Å; V36-T40 WeakPolarHBondContact O-CG2 3.21Å; V36-T40 PolarHBondContact O-N 2.99Å; V36-T40 PolarHBondContact O-OG1 3.36Å |
| 37 | R | 72.6 | Confident | 73.6 | Confident | 34 Ų | 34 | 63 Ų | 63 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 179.3 | -73.7 | 175.9 | -175.4 | -123 | -6.3 | 113.1 | T33 I34 Q41 Y52 T62 E66 G70 | T33-R37 WeakPolarHBondContact O-CG 3.32Å; T33-R37 PolarHBondContact O-N 3.32Å; I34-R37 PolarHBondContact O-N 3.06Å; R37-Q41 WeakPolarHBondContact O-CB 3.38Å; R37-Q41 PolarHBondContact O-N 3.42Å; R37-Y52 HydrophobicContact CB-CE2 4.12Å; R37-T62 VanDerWaalsContact CZ-CG2 3.5Å; R37-T62 PolarHBondContact NH1-OG1 3.34Å; R37-E66 IonicContact CZ-OE1 3.54Å; R37-E66 VanDerWaalsContact CZ-OE1 3.25Å; R37-E66 IonicContact CZ-OE2 3.81Å; R37-E66 IonicContact NH1-OE1 3.32Å; R37-E66 PolarHBondContact NH1-OE1 3.24Å; R37-E66 IonicContact NH1-OE2 3.69Å; R37-E66 IonicContact NH2-OE1 3.03Å; R37-E66 PolarHBondContact NH2-OE1 3.34Å; R37-E66 IonicContact NH2-OE2 2.83Å; R37-E66 PolarHBondContact NH2-OE2 3.03Å; R37-G70 PolarHBondContact NH2-O 3.33Å |
| 38 | L | 72.7 | Confident | 73.3 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 175.4 | -75.3 | 175.9 | 0 | 0 | 0 | 112.7 | I34 K35 V36 Q41 Y52 C58 | I34-L38 HydrophobicContact CG2-CD1 4.03Å; I34-L38 HydrophobicContact CG2-CG 4.33Å; I34-L38 WeakPolarHBondContact O-CB 3.37Å; I34-L38 WeakPolarHBondContact O-CG 3.21Å; I34-L38 PolarHBondContact O-N 3.06Å; K35-L38 PolarHBondContact O-N 2.92Å; V36-L38 VanDerWaalsContact C-N 3.3Å; V36-L38 PolarHBondContact O-N 3.02Å; L38-Q41 WeakPolarHBondContact O-CG 3.23Å; L38-Q41 PolarHBondContact O-NE2 3.3Å; L38-Y52 HydrophobicContact CD2-CG 4.43Å; L38-C58 HydrophobicContact CD2-CB 3.92Å; L38-C58 HydrophobicContact CG-CB 4.14Å |
| 39 | Q | 62.6 | Low | 73.1 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76 | -25.9 | 179.7 | -73.1 | -179.9 | -25.6 | 0 | 0 | 112.9 | K35 V36 | K35-Q39 HydrophobicContact CG-CG 4.5Å; K35-Q39 WeakPolarHBondContact O-CB 3.48Å; K35-Q39 VanDerWaalsContact O-CG 3.22Å; K35-Q39 WeakPolarHBondContact O-CG 3.33Å; K35-Q39 PolarHBondContact O-N 2.77Å; V36-Q39 CarbonylContact O-C 3.59Å; V36-Q39 PolarHBondContact O-N 3.38Å |
| 40 | T | 62.6 | Low | 72.8 | Confident | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.153 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -106.5 | 3.1 | -176.7 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | V36 Q139 | V36-T40 HydrophobicContact CG1-CG2 3.92Å; V36-T40 WeakPolarHBondContact O-CB 3.16Å; V36-T40 VanDerWaalsContact O-CG2 3.26Å; V36-T40 WeakPolarHBondContact O-CG2 3.21Å; V36-T40 PolarHBondContact O-N 2.99Å; V36-T40 PolarHBondContact O-OG1 3.36Å; T40-Q139 HydrophobicContact CG2-CB 3.63Å; T40-Q139 HydrophobicContact CG2-CG 3.39Å |
| 41 | Q | 67.3 | Low | 72.5 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 15% | 0.154 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -64.2 | 141.8 | 178.6 | 69.9 | -176.8 | -52.7 | 0 | 0 | 110.1 | R37 L38 Y52 | R37-Q41 WeakPolarHBondContact O-CB 3.38Å; R37-Q41 PolarHBondContact O-N 3.42Å; L38-Q41 WeakPolarHBondContact O-CG 3.23Å; L38-Q41 PolarHBondContact O-NE2 3.3Å; Q41-Y52 HydrophobicContact CB-CD2 4Å; Q41-Y52 HydrophobicContact CB-CE2 4.44Å; Q41-Y52 PolarHBondContact NE2-O 3.48Å; Q41-Y52 PolarHBondContact OE1-O 3.39Å |
| 42 | P | 68.9 | Low | 72.5 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.8 | 178.3 | 23.8 | -32.1 | 0 | 0 | 0 | 110.6 | ||
| 43 | K | 65.1 | Low | 72.6 | Confident | 177 Ų | 177 | 76.2 Ų | 76.2 | 77% | 0.77 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 135.6 | 174.1 | -69.8 | -177.5 | -178 | 176.2 | 0 | 109 | K45 | K43-K45 PolarHBondContact O-N 3.29Š|
| 44 | P | 69.8 | Low | 72.7 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 135.1 | 178.2 | 24.1 | -29.6 | 0 | 0 | 0 | 109.5 | E48 L50 | P44-E48 HydrophobicContact CB-CB 4.44Å; P44-E48 WeakPolarHBondContact CB-O 3.43Å; P44-L50 HydrophobicContact CG-CD2 3.78Å; P44-L50 HydrophobicContact CG-CG 4.34Å |
| 45 | K | 74.1 | Confident | 72.7 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 159.4 | 170.4 | -66.9 | 176.6 | -177.6 | 172.9 | 0 | 109.8 | K43 G47 E48 | K43-K45 PolarHBondContact O-N 3.29Å; K45-G47 PolarHBondContact O-N 2.94Å; K45-E48 HydrophobicContact CB-CB 4.48Å; K45-E48 HydrophobicContact CB-CG 4.33Å; K45-E48 PolarHBondContact O-N 3.43Å |
| 46 | P | 65.4 | Low | 73.1 | Confident | 141 Ų | 141 | 81.1 Ų | 81.1 | 92% | 0.916 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 115.7 | 174.5 | -22.8 | 33 | 0 | 0 | 0 | 110.5 | ||
| 47 | G | 74.1 | Confident | 73.7 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 93% | 0.928 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -6.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K45 | K45-G47 PolarHBondContact O-N 2.94Š|
| 48 | E | 76.4 | Confident | 74.2 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -94.5 | 148.4 | 174.1 | -75.8 | -179.5 | 172.1 | 0 | 0 | 112 | P44 K45 | P44-E48 HydrophobicContact CB-CB 4.44Å; P44-E48 WeakPolarHBondContact CB-O 3.43Å; K45-E48 HydrophobicContact CB-CB 4.48Å; K45-E48 HydrophobicContact CB-CG 4.33Å; K45-E48 PolarHBondContact O-N 3.43Å |
| 49 | S | 75.4 | Confident | 74.8 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 156.7 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 111.3 | L51 | S49-L51 PolarHBondContact O-N 3.18Š|
| 50 | L | 75.2 | Confident | 76 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 134.1 | 175.5 | -71.7 | 164.5 | 0 | 0 | 0 | 110.8 | P44 Y52 | P44-L50 HydrophobicContact CG-CD2 3.78Å; P44-L50 HydrophobicContact CG-CG 4.34Å; L50-Y52 PolarHBondContact O-N 2.93Å |
| 51 | L | 77.6 | Confident | 77.1 | Confident | 74 Ų | 74 | 85 Ų | 85 | 39% | 0.387 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -54.6 | -39.9 | 174.6 | -179.1 | 66.7 | 0 | 0 | 0 | 111.1 | S49 K61 | S49-L51 PolarHBondContact O-N 3.18Å; L51-K61 PolarHBondContact O-NZ 3.42Å |
| 52 | Y | 80.9 | Confident | 77.9 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 10% | 0.102 | 48% | 0.475 | C | S | . | . | trans | -129.3 | 115.9 | 173.4 | -54.3 | -61 | 0 | 0 | 0 | 110.4 | R37 L38 Q41 L50 G54 D57 C58 K61 | R37-Y52 HydrophobicContact CB-CE2 4.12Å; L38-Y52 HydrophobicContact CD2-CG 4.43Å; Q41-Y52 HydrophobicContact CB-CD2 4Å; Q41-Y52 HydrophobicContact CB-CE2 4.44Å; Q41-Y52 PolarHBondContact NE2-O 3.48Å; Q41-Y52 PolarHBondContact OE1-O 3.39Å; L50-Y52 PolarHBondContact O-N 2.93Å; Y52-G54 PolarHBondContact O-N 3.01Å; Y52-D57 WeakPolarHBondContact CA-OD2 3.48Å; Y52-C58 VanDerWaalsContact CD1-CA 3.47Å; Y52-C58 HydrophobicContact CD1-CB 3.77Å; Y52-C58 HydrophobicContact CD2-CB 4.47Å; Y52-C58 HydrophobicContact CE1-CB 4.39Å; Y52-C58 HydrophobicContact CG-CB 3.81Å; Y52-K61 HydrophobicContact CD1-CB 4.36Å; Y52-K61 HydrophobicContact CD1-CD 3.87Å; Y52-K61 HydrophobicContact CE1-CB 3.99Å; Y52-K61 HydrophobicContact CE1-CD 4.12Å | ||
| 53 | A | 78.8 | Confident | 78.8 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 67% | 0.669 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -72.1 | -17.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D57 | A53-D57 HydrophobicContact CB-CB 4.25Å; A53-D57 PolarHBondContact N-OD2 2.93Å |
| 54 | G | 79 | Confident | 79.9 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 28% | 0.278 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 171.9 | -175.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y52 L56 D57 C58 | Y52-G54 PolarHBondContact O-N 3.01Å; G54-L56 PolarHBondContact O-N 3.34Å; G54-D57 PolarHBondContact O-N 3.37Å; G54-C58 WeakPolarHBondContact O-CB 3.4Å; G54-C58 PolarHBondContact O-N 2.65Å |
| 55 | T | 81.3 | Confident | 80.7 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.2 | -45.9 | -175.9 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | I34 C58 F59 | I34-T55 HydrophobicContact CG2-CG2 3.7Å; T55-C58 PolarHBondContact O-N 3.45Å; T55-F59 WeakPolarHBondContact O-CB 3.42Å; T55-F59 PolarHBondContact O-N 3.02Å |
| 56 | L | 84.1 | Confident | 80.9 | Confident | 133 Ų | 133 | 81.5 Ų | 81.5 | 70% | 0.696 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.5 | -37.6 | -179.4 | -64.5 | 176 | 0 | 0 | 0 | 112.3 | G54 F59 K60 | G54-L56 PolarHBondContact O-N 3.34Å; L56-F59 PolarHBondContact O-N 2.9Å; L56-K60 WeakPolarHBondContact O-CB 3.23Å; L56-K60 VanDerWaalsContact O-CG 3.3Å; L56-K60 WeakPolarHBondContact O-CG 3.19Å; L56-K60 PolarHBondContact O-N 3.45Å |
| 57 | D | 84.6 | Confident | 81.9 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 176.8 | -177.3 | 45.6 | 0 | 0 | 0 | 111 | Y52 A53 G54 F59 K60 K61 | Y52-D57 WeakPolarHBondContact CA-OD2 3.48Å; A53-D57 HydrophobicContact CB-CB 4.25Å; A53-D57 PolarHBondContact N-OD2 2.93Å; G54-D57 PolarHBondContact O-N 3.37Å; D57-F59 PolarHBondContact O-N 3.16Å; D57-K60 PolarHBondContact O-N 3.35Å; D57-K61 VanDerWaalsContact O-CB 3.31Å; D57-K61 WeakPolarHBondContact O-CB 3.47Å; D57-K61 WeakPolarHBondContact O-CG 3.3Å; D57-K61 PolarHBondContact O-N 3.48Å; D57-K61 WeakPolarHBondContact OD1-CD 3.32Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 2.67Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 WeakPolarHBondContact OD2-CE 3.4Å; D57-K61 IonicContact OD2-NZ 2.78Å; D57-K61 PolarHBondContact OD2-NZ 3.11Å |
| 58 | C | 81.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.2 | -171 | 0 | 0 | 0 | 0 | 112.3 | I34 L38 Y52 G54 T55 T62 | I34-C58 HydrophobicContact CG2-CB 3.94Å; L38-C58 HydrophobicContact CD2-CB 3.92Å; L38-C58 HydrophobicContact CG-CB 4.14Å; Y52-C58 VanDerWaalsContact CD1-CA 3.47Å; Y52-C58 HydrophobicContact CD1-CB 3.77Å; Y52-C58 HydrophobicContact CD2-CB 4.47Å; Y52-C58 HydrophobicContact CE1-CB 4.39Å; Y52-C58 HydrophobicContact CG-CB 3.81Å; G54-C58 WeakPolarHBondContact O-CB 3.4Å; G54-C58 PolarHBondContact O-N 2.65Å; T55-C58 PolarHBondContact O-N 3.45Å; C58-T62 WeakPolarHBondContact O-CB 3.47Å; C58-T62 PolarHBondContact O-N 3.1Å; C58-T62 PolarHBondContact O-OG1 3.02Å |
| 59 | F | 85.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.3 | -52.7 | 175.5 | 178.6 | -104.8 | 0 | 0 | 0 | 111.9 | I34 T55 L56 D57 K61 T62 L63 L71 | I34-F59 HydrophobicContact CD1-CB 4Å; I34-F59 HydrophobicContact CD1-CD2 3.74Å; I34-F59 HydrophobicContact CD1-CG 4.31Å; T55-F59 WeakPolarHBondContact O-CB 3.42Å; T55-F59 PolarHBondContact O-N 3.02Å; L56-F59 PolarHBondContact O-N 2.9Å; D57-F59 PolarHBondContact O-N 3.16Å; F59-K61 PolarHBondContact O-N 3.01Å; F59-T62 PolarHBondContact O-N 3.38Å; F59-L63 HydrophobicContact CE1-CD2 4.49Å; F59-L63 WeakPolarHBondContact O-CB 3.46Å; F59-L63 PolarHBondContact O-N 3.38Å; F59-L71 HydrophobicContact CD2-CD1 4.29Å; F59-L71 HydrophobicContact CD2-CD2 3.97Å; F59-L71 HydrophobicContact CE2-CD1 3.63Å; F59-L71 HydrophobicContact CE2-CD2 4.16Å; F59-L71 HydrophobicContact CZ-CD1 4.46Å |
| 60 | K | 88.4 | Confident | 82.9 | Confident | 145 Ų | 145 | 74.2 Ų | 74.2 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | -179.8 | -74 | 177.5 | -178.3 | -175.9 | 0 | 111.8 | L56 D57 T62 L63 A64 | L56-K60 WeakPolarHBondContact O-CB 3.23Å; L56-K60 VanDerWaalsContact O-CG 3.3Å; L56-K60 WeakPolarHBondContact O-CG 3.19Å; L56-K60 PolarHBondContact O-N 3.45Å; D57-K60 PolarHBondContact O-N 3.35Å; K60-T62 VanDerWaalsContact C-N 3.35Å; K60-T62 PolarHBondContact O-N 3.02Å; K60-L63 PolarHBondContact O-N 2.99Å; K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 3.46Å |
| 61 | K | 85.6 | Confident | 83.1 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 178.4 | -75.5 | 171.9 | 172.8 | 166.9 | 0 | 112.2 | L51 Y52 D57 F59 A64 K65 | L51-K61 PolarHBondContact O-NZ 3.42Å; Y52-K61 HydrophobicContact CD1-CB 4.36Å; Y52-K61 HydrophobicContact CD1-CD 3.87Å; Y52-K61 HydrophobicContact CE1-CB 3.99Å; Y52-K61 HydrophobicContact CE1-CD 4.12Å; D57-K61 VanDerWaalsContact O-CB 3.31Å; D57-K61 WeakPolarHBondContact O-CB 3.47Å; D57-K61 WeakPolarHBondContact O-CG 3.3Å; D57-K61 PolarHBondContact O-N 3.48Å; D57-K61 WeakPolarHBondContact OD1-CD 3.32Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 2.67Å; D57-K61 PolarHBondContact OD1-NZ 2.97Å; D57-K61 WeakPolarHBondContact OD2-CE 3.4Å; D57-K61 IonicContact OD2-NZ 2.78Å; D57-K61 PolarHBondContact OD2-NZ 3.11Å; F59-K61 PolarHBondContact O-N 3.01Å; K61-A64 PolarHBondContact O-N 3.23Å; K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 WeakPolarHBondContact O-CG 3.33Å; K61-K65 PolarHBondContact O-N 3.36Å |
| 62 | T | 83.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | R37 C58 F59 K60 A64 K65 E66 G67 L71 | R37-T62 VanDerWaalsContact CZ-CG2 3.5Å; R37-T62 PolarHBondContact NH1-OG1 3.34Å; C58-T62 WeakPolarHBondContact O-CB 3.47Å; C58-T62 PolarHBondContact O-N 3.1Å; C58-T62 PolarHBondContact O-OG1 3.02Å; F59-T62 PolarHBondContact O-N 3.38Å; K60-T62 VanDerWaalsContact C-N 3.35Å; K60-T62 PolarHBondContact O-N 3.02Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 3.49Å; T62-K65 PolarHBondContact O-N 3.39Å; T62-E66 PolarHBondContact O-N 2.85Å; T62-G67 PolarHBondContact O-N 2.95Å; T62-L71 HydrophobicContact CG2-CD2 3.9Å; T62-L71 HydrophobicContact CG2-CG 4.39Å |
| 63 | L | 87.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 177.7 | -168.7 | 67.6 | 0 | 0 | 0 | 111.7 | F59 K60 G67 V68 | F59-L63 HydrophobicContact CE1-CD2 4.49Å; F59-L63 WeakPolarHBondContact O-CB 3.46Å; F59-L63 PolarHBondContact O-N 3.38Å; K60-L63 PolarHBondContact O-N 2.99Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 2.88Å; L63-V68 HydrophobicContact CD1-CG2 3.84Å |
| 64 | A | 88.7 | Confident | 82.6 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 74% | 0.744 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.6 | -37.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K60 K61 T62 | K60-A64 WeakPolarHBondContact O-CB 3.28Å; K60-A64 PolarHBondContact O-N 3.46Å; K61-A64 PolarHBondContact O-N 3.23Å; T62-A64 VanDerWaalsContact C-N 3.34Å; T62-A64 PolarHBondContact O-N 3.49Å |
| 65 | K | 85.6 | Confident | 82.6 | Confident | 159 Ų | 159 | 75.9 Ų | 75.9 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -89.2 | -37.4 | -176.1 | -70.7 | -173.9 | 176.4 | -173.5 | 0 | 114.3 | K61 T62 | K61-K65 WeakPolarHBondContact O-CB 3.47Å; K61-K65 WeakPolarHBondContact O-CG 3.33Å; K61-K65 PolarHBondContact O-N 3.36Å; T62-K65 PolarHBondContact O-N 3.39Å |
| 66 | E | 79.7 | Confident | 82.4 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -122.3 | -3.6 | -170 | -65 | 175.9 | -126.6 | 0 | 0 | 113.1 | R37 T62 G70 | R37-E66 IonicContact CZ-OE1 3.54Å; R37-E66 VanDerWaalsContact CZ-OE1 3.25Å; R37-E66 IonicContact CZ-OE2 3.81Å; R37-E66 IonicContact NH1-OE1 3.32Å; R37-E66 PolarHBondContact NH1-OE1 3.24Å; R37-E66 IonicContact NH1-OE2 3.69Å; R37-E66 IonicContact NH2-OE1 3.03Å; R37-E66 PolarHBondContact NH2-OE1 3.34Å; R37-E66 IonicContact NH2-OE2 2.83Å; R37-E66 PolarHBondContact NH2-OE2 3.03Å; T62-E66 PolarHBondContact O-N 2.85Å; E66-G70 PolarHBondContact O-N 3.04Å |
| 67 | G | 86.1 | Confident | 81.8 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | 63.8 | -167.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T62 L63 K69 G70 | T62-G67 PolarHBondContact O-N 2.95Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 2.88Å; G67-K69 PolarHBondContact O-N 3.28Å; G67-G70 PolarHBondContact O-N 3.49Å; G67-G70 VanDerWaalsContact O-N 3.09Å |
| 68 | V | 85.2 | Confident | 81.1 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 56% | 0.558 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.4 | -34.1 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | L63 G70 L71 Y72 | L63-V68 HydrophobicContact CD1-CG2 3.84Å; V68-G70 PolarHBondContact O-N 2.87Å; V68-L71 WeakPolarHBondContact O-CB 3.41Å; V68-L71 PolarHBondContact O-N 3.35Å; V68-Y72 HydrophobicContact CG1-CD2 4.16Å; V68-Y72 HydrophobicContact CG1-CE2 3.86Å; V68-Y72 WeakPolarHBondContact O-CD2 3.27Å |
| 69 | K | 83.2 | Confident | 80.9 | Confident | 187 Ų | 187 | 75.3 Ų | 75.3 | 81% | 0.813 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.6 | -30.8 | 177.7 | -67.8 | -176.6 | 179.3 | 178.6 | 0 | 112.6 | G67 L71 Y72 K73 | G67-K69 PolarHBondContact O-N 3.28Å; K69-L71 PolarHBondContact O-N 3.4Å; K69-Y72 PolarHBondContact O-N 3.49Å; K69-Y72 VanDerWaalsContact O-N 3.16Å; K69-K73 PolarHBondContact O-N 3.27Å |
| 70 | G | 77.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.6 | -29.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | R37 E66 G67 V68 Y72 | R37-G70 PolarHBondContact NH2-O 3.33Å; E66-G70 PolarHBondContact O-N 3.04Å; G67-G70 PolarHBondContact O-N 3.49Å; G67-G70 VanDerWaalsContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 2.87Å; G70-Y72 VanDerWaalsContact C-N 3.34Å |
| 71 | L | 80.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -76.4 | -20.3 | 177.5 | -62.7 | 171.2 | 0 | 0 | 0 | 113.2 | H29 P30 T33 I34 F59 T62 V68 K69 | H29-L71 PolarHBondContact CD2-O 2.94Å; H29-L71 VanDerWaalsContact CD2-O 3.24Å; P30-L71 HydrophobicContact CB-CB 4.21Å; P30-L71 HydrophobicContact CG-CB 4.47Å; T33-L71 PolarHBondContact OG1-O 2.84Å; T33-L71 VanDerWaalsContact OG1-O 3.04Å; I34-L71 HydrophobicContact CG1-CD2 4.39Å; F59-L71 HydrophobicContact CD2-CD1 4.29Å; F59-L71 HydrophobicContact CD2-CD2 3.97Å; F59-L71 HydrophobicContact CE2-CD1 3.63Å; F59-L71 HydrophobicContact CE2-CD2 4.16Å; F59-L71 HydrophobicContact CZ-CD1 4.46Å; T62-L71 HydrophobicContact CG2-CD2 3.9Å; T62-L71 HydrophobicContact CG2-CG 4.39Å; V68-L71 WeakPolarHBondContact O-CB 3.41Å; V68-L71 PolarHBondContact O-N 3.35Å; K69-L71 PolarHBondContact O-N 3.4Å |
| 72 | Y | 81.4 | Confident | 79.3 | Confident | 79 Ų | 79 | 71 Ų | 71 | 31% | 0.31 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -106.9 | 4.4 | -178 | -67.6 | -77.8 | 0 | 0 | 0 | 113.4 | V26 P30 V68 K69 G70 G74 M75 | V26-Y72 HydrophobicContact CG1-CE1 3.97Å; V26-Y72 WeakPolarHBondContact O-CE1 3.4Å; P30-Y72 HydrophobicContact CG-CE1 3.93Å; P30-Y72 HydrophobicContact CG-CE2 4.42Å; V68-Y72 HydrophobicContact CG1-CD2 4.16Å; V68-Y72 HydrophobicContact CG1-CE2 3.86Å; V68-Y72 WeakPolarHBondContact O-CD2 3.27Å; K69-Y72 PolarHBondContact O-N 3.49Å; K69-Y72 VanDerWaalsContact O-N 3.16Å; G70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-G74 PolarHBondContact O-N 3.25Å; Y72-M75 HydrophobicContact CD1-CE 4.1Å; Y72-M75 HydrophobicContact CD1-SD 3.71Å; Y72-M75 HydrophobicContact CE1-SD 4.35Å; Y72-M75 VanDerWaalsContact O-CB 3.3Å; Y72-M75 WeakPolarHBondContact O-CB 3.38Å; Y72-M75 PolarHBondContact O-N 2.95Å |
| 73 | K | 73.3 | Confident | 78.9 | Confident | 150 Ų | 150 | 75.6 Ų | 75.6 | 65% | 0.652 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 128.5 | -179.6 | -162.5 | 172.5 | -177.6 | 176.4 | 0 | 109.8 | H29 K69 | H29-K73 PolarHBondContact NE2-O 3.3Å; K69-K73 PolarHBondContact O-N 3.27Å |
| 74 | G | 72.4 | Confident | 78.5 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 57% | 0.567 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 4.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y72 A76 P78 | Y72-G74 PolarHBondContact O-N 3.25Å; G74-A76 VanDerWaalsContact C-N 3.25Å; G74-A76 PolarHBondContact O-N 3.39Å; G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.41Å |
| 75 | M | 79.3 | Confident | 78.2 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20 | -179.6 | -169.9 | 177 | 62.8 | 0 | 0 | 114.3 | V25 V26 H29 Y72 A77 P78 I79 | V25-M75 HydrophobicContact CG1-CG 3.76Å; V25-M75 HydrophobicContact CG1-SD 4.17Å; V26-M75 HydrophobicContact CG2-CE 4.2Å; V26-M75 HydrophobicContact CG2-SD 3.91Å; H29-M75 HydrophobicContact CB-CG 4.37Å; H29-M75 HydrophobicContact CB-SD 4.24Å; H29-M75 VanDerWaalsContact CE1-CA 3.48Å; H29-M75 WeakPolarHBondContact CE1-CA 3.48Å; Y72-M75 HydrophobicContact CD1-CE 4.1Å; Y72-M75 HydrophobicContact CD1-SD 3.71Å; Y72-M75 HydrophobicContact CE1-SD 4.35Å; Y72-M75 VanDerWaalsContact O-CB 3.3Å; Y72-M75 WeakPolarHBondContact O-CB 3.38Å; Y72-M75 PolarHBondContact O-N 2.95Å; M75-A77 VanDerWaalsContact C-N 3.33Å; M75-A77 PolarHBondContact O-N 3.42Å; M75-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CG 3.13Å; M75-I79 HydrophobicContact CE-CD1 4.03Å; M75-I79 HydrophobicContact CG-CD1 3.81Å; M75-I79 HydrophobicContact CG-CG1 4.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.3Å; M75-I79 PolarHBondContact O-N 3.42Å; M75-I79 HydrophobicContact SD-CD1 4.25Å |
| 76 | A | 75.9 | Confident | 78 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G74 I79 I80 | G74-A76 VanDerWaalsContact C-N 3.25Å; G74-A76 PolarHBondContact O-N 3.39Å; A76-I79 PolarHBondContact O-N 2.95Å; A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.43Å; A76-I80 PolarHBondContact O-N 2.9Å |
| 77 | A | 72.4 | Confident | 78.1 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 60% | 0.595 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.5 | -50 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M75 I79 I80 G81 | M75-A77 VanDerWaalsContact C-N 3.33Å; M75-A77 PolarHBondContact O-N 3.42Å; A77-I79 PolarHBondContact O-N 3.42Å; A77-I80 PolarHBondContact O-N 3.3Å; A77-G81 PolarHBondContact O-N 3.07Å |
| 78 | P | 70.6 | Confident | 78.1 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 175.7 | 20.4 | -29.7 | 0 | 0 | 0 | 113.1 | V25 G74 M75 V82 | V25-P78 HydrophobicContact CG1-CG 4.48Å; G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CG 3.13Å; P78-V82 VanDerWaalsContact O-CB 3.25Å; P78-V82 WeakPolarHBondContact O-CB 3.41Å; P78-V82 VanDerWaalsContact O-CG2 3.25Å; P78-V82 WeakPolarHBondContact O-CG2 3.48Å; P78-V82 PolarHBondContact O-N 3.46Å |
| 79 | I | 77.1 | Confident | 78.1 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.2 | -68.4 | 173.1 | 0 | 0 | 0 | 111.1 | V25 M75 A76 A77 | V25-I79 HydrophobicContact CG1-CG1 4.08Å; M75-I79 HydrophobicContact CE-CD1 4.03Å; M75-I79 HydrophobicContact CG-CD1 3.81Å; M75-I79 HydrophobicContact CG-CG1 4.25Å; M75-I79 WeakPolarHBondContact O-CG1 3.3Å; M75-I79 PolarHBondContact O-N 3.42Å; M75-I79 HydrophobicContact SD-CD1 4.25Å; A76-I79 PolarHBondContact O-N 2.95Å; A77-I79 PolarHBondContact O-N 3.42Å |
| 80 | I | 77.8 | Confident | 78.2 | Confident | 126 Ų | 126 | 63.6 Ų | 63.6 | 65% | 0.646 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.3 | -39.1 | -179.3 | -64.7 | 167 | 0 | 0 | 0 | 110.9 | A76 A77 P84 | A76-I80 VanDerWaalsContact O-CG1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.43Å; A76-I80 PolarHBondContact O-N 2.9Å; A77-I80 PolarHBondContact O-N 3.3Å; I80-P84 WeakPolarHBondContact O-CD 3.26Å |
| 81 | G | 73.6 | Confident | 78.7 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -76.2 | -22 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A77 P84 M85 | A77-G81 PolarHBondContact O-N 3.07Å; G81-P84 WeakPolarHBondContact O-CD 3.14Å; G81-M85 WeakPolarHBondContact O-CB 3.47Å; G81-M85 PolarHBondContact O-N 3.28Å |
| 82 | V | 73.6 | Confident | 78.9 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | -177.6 | 139 | 0 | 0 | 0 | 0 | 112 | P78 M85 F86 | P78-V82 VanDerWaalsContact O-CB 3.25Å; P78-V82 WeakPolarHBondContact O-CB 3.41Å; P78-V82 VanDerWaalsContact O-CG2 3.25Å; P78-V82 WeakPolarHBondContact O-CG2 3.48Å; P78-V82 PolarHBondContact O-N 3.46Å; V82-M85 WeakPolarHBondContact O-CB 3.25Å; V82-M85 PolarHBondContact O-N 3.49Å; V82-F86 HydrophobicContact CG1-CD2 3.8Å; V82-F86 HydrophobicContact CG1-CE2 3.85Å; V82-F86 HydrophobicContact CG2-CE2 4.34Å; V82-F86 WeakPolarHBondContact O-CD2 3.21Å; V82-F86 PolarHBondContact O-N 3.06Å |
| 83 | T | 76.5 | Confident | 79.2 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 60% | 0.601 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.9 | -50.6 | -175 | -55.5 | 0 | 0 | 0 | 0 | 113 | M85 F86 A87 | T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.49Å; T83-F86 PolarHBondContact O-N 3.25Å; T83-A87 WeakPolarHBondContact O-CB 3.25Å; T83-A87 PolarHBondContact O-N 3.06Å |
| 84 | P | 79.8 | Confident | 79.7 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.1 | -22.6 | 33.8 | 0 | 0 | 0 | 112.7 | I80 G81 A87 V88 | I80-P84 WeakPolarHBondContact O-CD 3.26Å; G81-P84 WeakPolarHBondContact O-CD 3.14Å; P84-A87 PolarHBondContact O-N 2.89Å; P84-V88 PolarHBondContact O-N 3.42Å; P84-V88 VanDerWaalsContact O-N 3.09Å |
| 85 | M | 80.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 177.9 | -177.7 | -173.9 | -59.1 | 0 | 0 | 111.5 | G81 V82 T83 V88 C89 T124 M128 | G81-M85 WeakPolarHBondContact O-CB 3.47Å; G81-M85 PolarHBondContact O-N 3.28Å; V82-M85 WeakPolarHBondContact O-CB 3.25Å; V82-M85 PolarHBondContact O-N 3.49Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 3.49Å; M85-V88 PolarHBondContact O-N 3.3Å; M85-C89 VanDerWaalsContact O-CB 3.27Å; M85-C89 WeakPolarHBondContact O-CB 3.47Å; M85-C89 PolarHBondContact O-N 2.84Å; M85-T124 HydrophobicContact CG-CG2 3.65Å; M85-T124 HydrophobicContact SD-CG2 4.4Å; M85-M128 HydrophobicContact CE-CE 4.15Å; M85-M128 HydrophobicContact CE-CG 3.51Å; M85-M128 HydrophobicContact CE-SD 3.71Å; M85-M128 HydrophobicContact CG-CG 4.36Å; M85-M128 HydrophobicContact CG-SD 4.26Å; M85-M128 HydrophobicContact SD-CE 4.33Å; M85-M128 HydrophobicContact SD-CG 4.03Å; M85-M128 HydrophobicContact SD-SD 3.52Å |
| 86 | F | 81.4 | Confident | 80.8 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 45% | 0.447 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 177.3 | -79.2 | -64.5 | 0 | 0 | 0 | 112.6 | V82 T83 V88 C89 F90 | V82-F86 HydrophobicContact CG1-CD2 3.8Å; V82-F86 HydrophobicContact CG1-CE2 3.85Å; V82-F86 HydrophobicContact CG2-CE2 4.34Å; V82-F86 WeakPolarHBondContact O-CD2 3.21Å; V82-F86 PolarHBondContact O-N 3.06Å; T83-F86 PolarHBondContact O-N 3.25Å; F86-V88 VanDerWaalsContact C-N 3.32Å; F86-V88 PolarHBondContact O-N 3.04Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 3.45Å; F86-F90 HydrophobicContact CB-CD2 4.34Å; F86-F90 HydrophobicContact CB-CE2 4.32Å; F86-F90 HydrophobicContact CD1-CE2 4.26Å; F86-F90 WeakPolarHBondContact O-CD2 3.48Å; F86-F90 PolarHBondContact O-N 3.47Å |
| 87 | A | 82.3 | Confident | 81.2 | Confident | 60 Ų | 60 | 59 Ų | 59 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T83 P84 F91 | T83-A87 WeakPolarHBondContact O-CB 3.25Å; T83-A87 PolarHBondContact O-N 3.06Å; P84-A87 PolarHBondContact O-N 2.89Å; A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.28Å |
| 88 | V | 86.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.4 | -33.1 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | P84 M85 F86 G92 F123 I127 | P84-V88 PolarHBondContact O-N 3.42Å; P84-V88 VanDerWaalsContact O-N 3.09Å; M85-V88 PolarHBondContact O-N 3.3Å; F86-V88 VanDerWaalsContact C-N 3.32Å; F86-V88 PolarHBondContact O-N 3.04Å; V88-G92 PolarHBondContact O-N 3.14Å; V88-F123 HydrophobicContact CG1-CB 3.69Å; V88-F123 HydrophobicContact CG1-CD1 4.48Å; V88-I127 HydrophobicContact CB-CD1 3.74Å; V88-I127 HydrophobicContact CG1-CD1 3.81Å; V88-I127 HydrophobicContact CG2-CD1 3.56Å |
| 89 | C | 86.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.8 | -58 | 168.9 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | M85 F86 F91 G92 F93 S120 T124 | M85-C89 VanDerWaalsContact O-CB 3.27Å; M85-C89 WeakPolarHBondContact O-CB 3.47Å; M85-C89 PolarHBondContact O-N 2.84Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 3.45Å; C89-F91 VanDerWaalsContact C-N 3.31Å; C89-F91 PolarHBondContact O-N 3.03Å; C89-G92 PolarHBondContact O-N 2.91Å; C89-G92 VanDerWaalsContact O-N 3.08Å; C89-F93 PolarHBondContact O-N 3.47Å; C89-S120 VanDerWaalsContact C-OG 3.29Å; C89-S120 WeakPolarHBondContact CA-OG 3.19Å; C89-S120 PolarHBondContact O-OG 2.99Å; C89-S120 PolarHBondContact SG-OG 3.37Å; C89-T124 WeakPolarHBondContact CA-OG1 3.45Å; C89-T124 VanDerWaalsContact CB-OG1 3.31Å; C89-T124 WeakPolarHBondContact CB-OG1 3.42Å |
| 90 | F | 83.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 179.5 | -75.6 | -64.7 | 0 | 0 | 0 | 113.4 | F86 F93 G94 F187 | F86-F90 HydrophobicContact CB-CD2 4.34Å; F86-F90 HydrophobicContact CB-CE2 4.32Å; F86-F90 HydrophobicContact CD1-CE2 4.26Å; F86-F90 WeakPolarHBondContact O-CD2 3.48Å; F86-F90 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 2.96Å; F90-G94 PolarHBondContact O-N 3.43Å; F90-F187 HydrophobicContact CD1-CE1 4.34Å; F90-F187 HydrophobicContact CD1-CZ 4.49Å; F90-F187 HydrophobicContact CE1-CE1 4.06Å; F90-F187 HydrophobicContact CE1-CZ 4.41Å |
| 91 | F | 87.8 | Confident | 83.1 | Confident | 127 Ų | 127 | 62.9 Ų | 62.9 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.3 | -50 | 170.9 | 173.5 | -97.7 | 0 | 0 | 0 | 111.4 | A87 C89 F93 G94 L95 F123 | A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.28Å; C89-F91 VanDerWaalsContact C-N 3.31Å; C89-F91 PolarHBondContact O-N 3.03Å; F91-F93 PolarHBondContact O-N 2.92Å; F91-G94 PolarHBondContact O-N 3.5Å; F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.94Å; F91-F123 HydrophobicContact CD1-CD1 4.44Å; F91-F123 HydrophobicContact CD1-CE1 4.42Å; F91-F123 HydrophobicContact CE1-CD1 4.49Å; F91-F123 HydrophobicContact CE1-CE1 4.04Å; F91-F123 HydrophobicContact CE1-CZ 4.24Å |
| 92 | G | 85.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V88 C89 L95 G96 L119 | V88-G92 PolarHBondContact O-N 3.14Å; C89-G92 PolarHBondContact O-N 2.91Å; C89-G92 VanDerWaalsContact O-N 3.08Å; G92-L95 PolarHBondContact O-N 3.3Å; G92-G96 PolarHBondContact O-N 3.3Å; G92-L119 WeakPolarHBondContact O-CD2 3.31Å |
| 93 | F | 85.8 | Confident | 83 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.1 | -175.5 | -121.7 | 0 | 0 | 0 | 112.2 | C89 F90 F91 G96 K97 L113 A116 F187 | C89-F93 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 2.96Å; F91-F93 PolarHBondContact O-N 2.92Å; F93-G96 PolarHBondContact O-N 3.5Å; F93-K97 HydrophobicContact CD1-CD 4.3Å; F93-K97 HydrophobicContact CE1-CD 3.72Å; F93-K97 VanDerWaalsContact CE1-CE 3.49Å; F93-K97 HydrophobicContact CE1-CG 4.35Å; F93-K97 HydrophobicContact CE2-CD 4.35Å; F93-K97 HydrophobicContact CE2-CG 4.21Å; F93-K97 HydrophobicContact CZ-CD 3.75Å; F93-K97 HydrophobicContact CZ-CG 4.11Å; F93-K97 WeakPolarHBondContact O-CG 3.08Å; F93-K97 PolarHBondContact O-N 2.9Å; F93-L113 HydrophobicContact CZ-CD2 4.12Å; F93-A116 HydrophobicContact CD2-CB 3.82Å; F93-A116 HydrophobicContact CE2-CB 3.71Å; F93-F187 HydrophobicContact CB-CE1 4.11Å; F93-F187 HydrophobicContact CB-CE2 4.19Å; F93-F187 HydrophobicContact CB-CZ 3.89Å; F93-F187 AromaticContact CD1-CD1 3.7Å; F93-F187 HydrophobicContact CD1-CD1 3.7Å; F93-F187 AromaticContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CG 4.43Å; F93-F187 HydrophobicContact CD1-CZ 4.26Å; F93-F187 HydrophobicContact CD2-CB 4.05Å; F93-F187 AromaticContact CD2-CD1 3.72Å; F93-F187 HydrophobicContact CD2-CD1 3.72Å; F93-F187 AromaticContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CE1 4.09Å; F93-F187 HydrophobicContact CD2-CE2 4.24Å; F93-F187 AromaticContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CZ 4.33Å; F93-F187 AromaticContact CE1-CD1 3.61Å; F93-F187 HydrophobicContact CE1-CD1 3.61Å; F93-F187 AromaticContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CG 4.36Å; F93-F187 HydrophobicContact CE2-CB 3.52Å; F93-F187 AromaticContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD2 4.25Å; F93-F187 HydrophobicContact CE2-CE1 4.43Å; F93-F187 AromaticContact CE2-CG 3.54Å; F93-F187 HydrophobicContact CE2-CG 3.54Å; F93-F187 AromaticContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD2 4.29Å; F93-F187 AromaticContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE2 4.23Å; F93-F187 HydrophobicContact CG-CG 4.06Å; F93-F187 AromaticContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CZ-CB 3.93Å; F93-F187 AromaticContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CE1 4.36Å; F93-F187 AromaticContact CZ-CG 3.94Å; F93-F187 HydrophobicContact CZ-CG 3.94Å |
| 94 | G | 84.3 | Confident | 82.6 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F90 F91 G96 K97 K98 | F90-G94 PolarHBondContact O-N 3.43Å; F91-G94 PolarHBondContact O-N 3.5Å; G94-G96 VanDerWaalsContact C-N 3.34Å; G94-K97 PolarHBondContact O-N 2.73Å; G94-K98 PolarHBondContact O-N 3.2Å |
| 95 | L | 87.8 | Confident | 82 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.2 | -175.8 | 61.2 | 0 | 0 | 0 | 111.4 | F91 G92 K97 K98 L99 L119 F123 | F91-L95 WeakPolarHBondContact O-CB 3.36Å; F91-L95 PolarHBondContact O-N 2.94Å; G92-L95 PolarHBondContact O-N 3.3Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 3.1Å; L95-K98 PolarHBondContact O-N 3.13Å; L95-L99 HydrophobicContact CG-CD1 4.35Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 2.96Å; L95-L119 HydrophobicContact CB-CD2 3.97Å; L95-L119 HydrophobicContact CD2-CD2 4.08Å; L95-L119 HydrophobicContact CG-CD2 4.03Å; L95-F123 HydrophobicContact CD2-CE2 4.14Å; L95-F123 HydrophobicContact CD2-CZ 4.05Å |
| 96 | G | 86.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G92 F93 G94 Q100 A116 | G92-G96 PolarHBondContact O-N 3.3Å; F93-G96 PolarHBondContact O-N 3.5Å; G94-G96 VanDerWaalsContact C-N 3.34Å; G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-NE2 3.06Å; G96-A116 VanDerWaalsContact C-CB 3.5Å |
| 97 | K | 84.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 28% | 0.283 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67 | -48.6 | 170.9 | -72.2 | -167.5 | -69.2 | 178.8 | 0 | 111.1 | F93 G94 L95 L99 Q100 Q101 L108 L113 A116 | F93-K97 HydrophobicContact CD1-CD 4.3Å; F93-K97 HydrophobicContact CE1-CD 3.72Å; F93-K97 VanDerWaalsContact CE1-CE 3.49Å; F93-K97 HydrophobicContact CE1-CG 4.35Å; F93-K97 HydrophobicContact CE2-CD 4.35Å; F93-K97 HydrophobicContact CE2-CG 4.21Å; F93-K97 HydrophobicContact CZ-CD 3.75Å; F93-K97 HydrophobicContact CZ-CG 4.11Å; F93-K97 WeakPolarHBondContact O-CG 3.08Å; F93-K97 PolarHBondContact O-N 2.9Å; G94-K97 PolarHBondContact O-N 2.73Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-K97 PolarHBondContact O-N 3.1Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 2.7Å; K97-Q100 PolarHBondContact O-N 2.88Å; K97-Q101 WeakPolarHBondContact O-CG 3.46Å; K97-Q101 PolarHBondContact O-N 2.83Å; K97-L108 HydrophobicContact CB-CD1 3.65Å; K97-L108 HydrophobicContact CD-CD1 3.81Å; K97-L108 HydrophobicContact CG-CD1 3.51Å; K97-L113 HydrophobicContact CD-CD2 4.31Å; K97-A116 HydrophobicContact CG-CB 3.82Å |
| 98 | K | 85.8 | Confident | 81.3 | Confident | 157 Ų | 157 | 80.1 Ų | 80.1 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59 | -34.9 | 180 | -170 | 176.9 | -177.9 | 179.4 | 0 | 113 | G94 L95 Q100 | G94-K98 PolarHBondContact O-N 3.2Å; L95-K98 PolarHBondContact O-N 3.13Å; K98-Q100 PolarHBondContact O-N 3.11Å |
| 99 | L | 87.8 | Confident | 81.3 | Confident | 122 Ų | 122 | 81.9 Ų | 81.9 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.1 | 176 | -73.2 | 171.2 | 0 | 0 | 0 | 113.7 | L95 K97 L119 | L95-L99 HydrophobicContact CG-CD1 4.35Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 2.96Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 2.7Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å |
| 100 | Q | 82.5 | Confident | 81.3 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -22.1 | -175.7 | -67.7 | -178.8 | 77.3 | 0 | 0 | 113.2 | G96 K97 K98 L108 Q112 | G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-NE2 3.06Å; K97-Q100 PolarHBondContact O-N 2.88Å; K98-Q100 PolarHBondContact O-N 3.11Å; Q100-L108 HydrophobicContact CB-CD2 3.78Å; Q100-Q112 VanDerWaalsContact CD-O 3.26Å; Q100-Q112 PolarHBondContact NE2-O 2.95Å; Q100-Q112 PolarHBondContact OE1-O 3.36Å |
| 101 | Q | 81.9 | Confident | 81.4 | Confident | 66 Ų | 66 | 84.3 Ų | 84.3 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | trans | -72.8 | 130.3 | 173.1 | -71.3 | 179.6 | -54.3 | 0 | 0 | 110.4 | K97 D106 L108 | K97-Q101 WeakPolarHBondContact O-CG 3.46Å; K97-Q101 PolarHBondContact O-N 2.83Å; Q101-D106 PolarHBondContact NE2-O 3.43Å; Q101-L108 HydrophobicContact CG-CD1 4.07Å; Q101-L108 HydrophobicContact CG-CD2 3.86Å; Q101-L108 HydrophobicContact CG-CG 3.98Å | ||
| 102 | R | 74.4 | Confident | 81.4 | Confident | 237 Ų | 237 | 80.8 Ų | 80.8 | 89% | 0.894 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -87.1 | -27.7 | 167.9 | -69.2 | -176.6 | 174 | -178.6 | -1.5 | 112 | ||
| 103 | T | 71.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -137.5 | 150.6 | -178.1 | -7.1 | 0 | 0 | 0 | 0 | 109.4 | D105 D106 | T103-D105 PolarHBondContact O-N 2.82Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.33Å; T103-D106 VanDerWaalsContact O-N 3.16Å |
| 104 | P | 67.8 | Low | 81.6 | Confident | 109 Ų | 109 | 84 Ų | 84 | 71% | 0.708 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29 | -176.2 | -25.9 | 36.1 | 0 | 0 | 0 | 114.9 | ||
| 105 | D | 66.8 | Low | 81.9 | Confident | 152 Ų | 152 | 84.4 Ų | 84.4 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.3 | -178.2 | -58.1 | -51.5 | 0 | 0 | 0 | 113.7 | T103 I107 | T103-D105 PolarHBondContact O-N 2.82Å; D105-I107 PolarHBondContact O-N 3.43Å |
| 106 | D | 74.1 | Confident | 81.9 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | trans | -72.2 | 121.5 | -174.8 | -153.1 | 10.1 | 0 | 0 | 0 | 110.8 | Q101 T103 L108 | Q101-D106 PolarHBondContact NE2-O 3.43Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.38Å; T103-D106 PolarHBondContact O-N 3.33Å; T103-D106 VanDerWaalsContact O-N 3.16Å; D106-L108 PolarHBondContact O-N 3.43Å | ||
| 107 | I | 75.4 | Confident | 82 | Confident | 153 Ų | 153 | 81.3 Ų | 81.3 | 79% | 0.785 | 41% | 0.413 | S | S | * | . | trans | -79.3 | 107.4 | 177.7 | -58.3 | 174.6 | 0 | 0 | 0 | 107.7 | D105 T109 | D105-I107 PolarHBondContact O-N 3.43Å; I107-T109 PolarHBondContact O-N 2.92Å | ||
| 108 | L | 79.5 | Confident | 82.3 | Confident | 19 Ų | 19 | 81.3 Ų | 81.3 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | trans | -65.3 | 133.2 | -178.8 | -68.3 | 163.2 | 0 | 0 | 0 | 111.6 | K97 Q100 Q101 D106 Q112 L113 | K97-L108 HydrophobicContact CB-CD1 3.65Å; K97-L108 HydrophobicContact CD-CD1 3.81Å; K97-L108 HydrophobicContact CG-CD1 3.51Å; Q100-L108 HydrophobicContact CB-CD2 3.78Å; Q101-L108 HydrophobicContact CG-CD1 4.07Å; Q101-L108 HydrophobicContact CG-CD2 3.86Å; Q101-L108 HydrophobicContact CG-CG 3.98Å; D106-L108 PolarHBondContact O-N 3.43Å; L108-Q112 HydrophobicContact CB-CB 4.25Å; L108-Q112 HydrophobicContact CD2-CB 3.91Å; L108-Q112 HydrophobicContact CD2-CG 4.45Å; L108-L113 HydrophobicContact CB-CD2 3.9Å; L108-L113 HydrophobicContact CB-CG 3.95Å; L108-L113 HydrophobicContact CD1-CD2 4.05Å | ||
| 109 | T | 86.1 | Confident | 82.5 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | trans | -68.3 | 159.2 | 172.1 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | I107 Q112 L113 | I107-T109 PolarHBondContact O-N 2.92Å; T109-Q112 WeakPolarHBondContact O-CA 3.48Å; T109-Q112 WeakPolarHBondContact O-CB 3.5Å; T109-Q112 PolarHBondContact O-N 3.31Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.3Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.35Å; T109-Q112 PolarHBondContact OG1-OE1 3.1Å; T109-L113 PolarHBondContact O-N 2.95Å | ||
| 110 | Y | 86.5 | Confident | 82.6 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.2 | -42 | 179.3 | -60.4 | -62.1 | 0 | 0 | 0 | 114.5 | Q112 L113 F114 M188 W192 N195 | Y110-Q112 VanDerWaalsContact C-N 3.26Å; Y110-Q112 PolarHBondContact O-N 3.37Å; Y110-L113 HydrophobicContact CD1-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.5Å; Y110-F114 WeakPolarHBondContact O-CB 3.48Å; Y110-F114 PolarHBondContact O-N 3.47Å; Y110-M188 HydrophobicContact CD1-CG 4.39Å; Y110-W192 HydrophobicContact CD1-CB 4.19Å; Y110-W192 HydrophobicContact CE1-CB 3.7Å; Y110-W192 HydrophobicContact CE1-CG 4.29Å; Y110-W192 AromaticContact CZ-CD1 3.73Å; Y110-N195 PolarHBondContact OH-ND2 2.98Å |
| 111 | P | 87.1 | Confident | 82.9 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.4 | -33.7 | 173.8 | -23.7 | 35.6 | 0 | 0 | 0 | 112.9 | F114 A115 | P111-F114 WeakPolarHBondContact O-CB 3.25Å; P111-F114 PolarHBondContact O-N 2.85Å; P111-A115 PolarHBondContact O-N 2.86Å |
| 112 | Q | 86.7 | Confident | 83.3 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 176.2 | -71.3 | 168.6 | -41.9 | 0 | 0 | 111.7 | Q100 L108 T109 Y110 F114 A115 A116 | Q100-Q112 VanDerWaalsContact CD-O 3.26Å; Q100-Q112 PolarHBondContact NE2-O 2.95Å; Q100-Q112 PolarHBondContact OE1-O 3.36Å; L108-Q112 HydrophobicContact CB-CB 4.25Å; L108-Q112 HydrophobicContact CD2-CB 3.91Å; L108-Q112 HydrophobicContact CD2-CG 4.45Å; T109-Q112 WeakPolarHBondContact O-CA 3.48Å; T109-Q112 WeakPolarHBondContact O-CB 3.5Å; T109-Q112 PolarHBondContact O-N 3.31Å; T109-Q112 VanDerWaalsContact OG1-CD 3.26Å; T109-Q112 VanDerWaalsContact OG1-CG 3.3Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.35Å; T109-Q112 PolarHBondContact OG1-OE1 3.1Å; Y110-Q112 VanDerWaalsContact C-N 3.26Å; Y110-Q112 PolarHBondContact O-N 3.37Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.39Å; Q112-A115 PolarHBondContact O-N 3.26Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.36Å |
| 113 | L | 86.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 172.8 | -68.4 | 169.8 | 0 | 0 | 0 | 111.8 | F93 K97 L108 T109 Y110 A116 G117 E191 | F93-L113 HydrophobicContact CZ-CD2 4.12Å; K97-L113 HydrophobicContact CD-CD2 4.31Å; L108-L113 HydrophobicContact CB-CD2 3.9Å; L108-L113 HydrophobicContact CB-CG 3.95Å; L108-L113 HydrophobicContact CD1-CD2 4.05Å; T109-L113 PolarHBondContact O-N 2.95Å; Y110-L113 HydrophobicContact CD1-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.5Å; L113-A116 PolarHBondContact O-N 3.09Å; L113-G117 PolarHBondContact O-N 2.86Å; L113-E191 HydrophobicContact CD1-CB 3.76Å; L113-E191 HydrophobicContact CD1-CG 4.02Å; L113-E191 HydrophobicContact CD2-CG 4.36Å |
| 114 | F | 89.9 | Confident | 84.6 | Confident | 60 Ų | 60 | 57 Ų | 57 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 172.3 | -178.7 | -94.3 | 0 | 0 | 0 | 111.4 | Y110 P111 Q112 A116 G117 M118 G184 M185 M188 | Y110-F114 WeakPolarHBondContact O-CB 3.48Å; Y110-F114 PolarHBondContact O-N 3.47Å; P111-F114 WeakPolarHBondContact O-CB 3.25Å; P111-F114 PolarHBondContact O-N 2.85Å; Q112-F114 VanDerWaalsContact C-N 3.27Å; Q112-F114 PolarHBondContact O-N 3.39Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.12Å; F114-G117 CarbonylContact O-C 3.59Å; F114-G117 PolarHBondContact O-N 3.37Å; F114-G117 VanDerWaalsContact O-N 3.16Å; F114-M118 HydrophobicContact CD1-CG 4.18Å; F114-M118 HydrophobicContact CD1-SD 3.77Å; F114-M118 HydrophobicContact CE1-CG 3.88Å; F114-M118 HydrophobicContact CE1-SD 3.3Å; F114-M118 WeakPolarHBondContact CE1-SD 3.48Å; F114-M118 HydrophobicContact CZ-CG 4.28Å; F114-M118 HydrophobicContact CZ-SD 4.11Å; F114-M118 WeakPolarHBondContact O-CG 3.47Å; F114-M118 PolarHBondContact O-N 3.17Å; F114-G184 WeakPolarHBondContact CD2-O 3.34Å; F114-G184 VanDerWaalsContact O-CA 3.26Å; F114-G184 WeakPolarHBondContact O-CA 3.17Å; F114-M185 HydrophobicContact CE2-CB 4.29Å; F114-M188 HydrophobicContact CB-CB 4.15Å; F114-M188 HydrophobicContact CB-CG 4.45Å; F114-M188 HydrophobicContact CB-SD 3.91Å; F114-M188 HydrophobicContact CD2-CB 4.44Å; F114-M188 HydrophobicContact CD2-CE 4.27Å; F114-M188 HydrophobicContact CD2-SD 4.27Å; F114-M188 HydrophobicContact CG-SD 4.45Å |
| 115 | A | 89.4 | Confident | 85.6 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P111 Q112 M118 L119 | P111-A115 PolarHBondContact O-N 2.86Å; Q112-A115 PolarHBondContact O-N 3.26Å; A115-M118 WeakPolarHBondContact O-CB 3.28Å; A115-M118 PolarHBondContact O-N 3.26Å; A115-L119 PolarHBondContact O-N 2.97Å |
| 116 | A | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | F93 G96 K97 Q112 L113 F114 M118 L119 S120 | F93-A116 HydrophobicContact CD2-CB 3.82Å; F93-A116 HydrophobicContact CE2-CB 3.71Å; G96-A116 VanDerWaalsContact C-CB 3.5Å; K97-A116 HydrophobicContact CG-CB 3.82Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 3.09Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3.12Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-L119 WeakPolarHBondContact O-CB 2.9Å; A116-L119 PolarHBondContact O-N 3.39Å; A116-S120 PolarHBondContact O-N 3.38Å |
| 117 | G | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L113 F114 L119 S120 G121 S183 | L113-G117 PolarHBondContact O-N 2.86Å; F114-G117 CarbonylContact O-C 3.59Å; F114-G117 PolarHBondContact O-N 3.37Å; F114-G117 VanDerWaalsContact O-N 3.16Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.39Å; G117-S120 VanDerWaalsContact O-CB 3.26Å; G117-S120 WeakPolarHBondContact O-CB 3.35Å; G117-S120 PolarHBondContact O-N 2.88Å; G117-G121 PolarHBondContact O-N 2.89Å; G117-S183 CarbonylContact O-C 3.6Å; G117-S183 WeakPolarHBondContact O-CB 3.38Å |
| 118 | M | 91.1 | Very high | 87.3 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 171.7 | -74.7 | -178.8 | 78.8 | 0 | 0 | 111.5 | F114 A115 A116 S120 G121 V122 V180 | F114-M118 HydrophobicContact CD1-CG 4.18Å; F114-M118 HydrophobicContact CD1-SD 3.77Å; F114-M118 HydrophobicContact CE1-CG 3.88Å; F114-M118 HydrophobicContact CE1-SD 3.3Å; F114-M118 WeakPolarHBondContact CE1-SD 3.48Å; F114-M118 HydrophobicContact CZ-CG 4.28Å; F114-M118 HydrophobicContact CZ-SD 4.11Å; F114-M118 WeakPolarHBondContact O-CG 3.47Å; F114-M118 PolarHBondContact O-N 3.17Å; A115-M118 WeakPolarHBondContact O-CB 3.28Å; A115-M118 PolarHBondContact O-N 3.26Å; A116-M118 VanDerWaalsContact C-N 3.33Å; M118-S120 VanDerWaalsContact C-N 3.32Å; M118-S120 PolarHBondContact O-N 3.41Å; M118-G121 WeakPolarHBondContact O-CA 3.41Å; M118-G121 PolarHBondContact O-N 3.13Å; M118-G121 VanDerWaalsContact O-N 3.08Å; M118-V122 PolarHBondContact O-N 3.07Å; M118-V180 HydrophobicContact CB-CG1 3.53Å; M118-V180 HydrophobicContact CE-CG1 3.4Å; M118-V180 VanDerWaalsContact CE-CG1 3.4Å; M118-V180 HydrophobicContact CG-CG1 3.74Å; M118-V180 HydrophobicContact SD-CG1 4.4Å |
| 119 | L | 90.9 | Very high | 87.5 | Confident | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.7 | -158.4 | 107.9 | 0 | 0 | 0 | 111.3 | G92 L95 L99 A115 A116 G117 G121 V122 F123 | G92-L119 WeakPolarHBondContact O-CD2 3.31Å; L95-L119 HydrophobicContact CB-CD2 3.97Å; L95-L119 HydrophobicContact CD2-CD2 4.08Å; L95-L119 HydrophobicContact CG-CD2 4.03Å; L99-L119 HydrophobicContact CD1-CD1 4.22Å; A115-L119 PolarHBondContact O-N 2.97Å; A116-L119 WeakPolarHBondContact O-CB 2.9Å; A116-L119 PolarHBondContact O-N 3.39Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.47Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.09Å; L119-F123 HydrophobicContact CD2-CD2 4.05Å; L119-F123 HydrophobicContact CD2-CE2 3.56Å; L119-F123 HydrophobicContact CG-CD2 4.26Å; L119-F123 HydrophobicContact CG-CE2 3.97Å; L119-F123 VanDerWaalsContact O-CD2 3.31Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.43Å |
| 120 | S | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54 | -42.5 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | C89 A116 G117 M118 V122 F123 T124 F187 | C89-S120 VanDerWaalsContact C-OG 3.29Å; C89-S120 WeakPolarHBondContact CA-OG 3.19Å; C89-S120 PolarHBondContact O-OG 2.99Å; C89-S120 PolarHBondContact SG-OG 3.37Å; A116-S120 PolarHBondContact O-N 3.38Å; G117-S120 VanDerWaalsContact O-CB 3.26Å; G117-S120 WeakPolarHBondContact O-CB 3.35Å; G117-S120 PolarHBondContact O-N 2.88Å; M118-S120 VanDerWaalsContact C-N 3.32Å; M118-S120 PolarHBondContact O-N 3.41Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.05Å; S120-F123 PolarHBondContact O-N 3.2Å; S120-T124 WeakPolarHBondContact O-CB 3.5Å; S120-T124 PolarHBondContact O-N 2.89Å; S120-T124 PolarHBondContact O-OG1 3.26Å; S120-F187 WeakPolarHBondContact OG-CE2 3.5Å |
| 121 | G | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G117 M118 L119 T124 T125 S183 | G117-G121 PolarHBondContact O-N 2.89Å; M118-G121 WeakPolarHBondContact O-CA 3.41Å; M118-G121 PolarHBondContact O-N 3.13Å; M118-G121 VanDerWaalsContact O-N 3.08Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.47Å; G121-T124 PolarHBondContact O-N 3.39Å; G121-T125 VanDerWaalsContact O-CB 3.29Å; G121-T125 WeakPolarHBondContact O-CB 3.45Å; G121-T125 PolarHBondContact O-N 3.46Å; G121-T125 PolarHBondContact O-OG1 2.54Å; G121-S183 WeakPolarHBondContact CA-OG 3.41Å |
| 122 | V | 90.6 | Very high | 86.7 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | M118 L119 S120 T124 T125 A126 L176 V180 | M118-V122 PolarHBondContact O-N 3.07Å; L119-V122 WeakPolarHBondContact O-CB 3.37Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.09Å; S120-V122 VanDerWaalsContact C-N 3.33Å; S120-V122 PolarHBondContact O-N 3.05Å; V122-T124 PolarHBondContact O-N 2.86Å; V122-T125 PolarHBondContact O-N 3.08Å; V122-A126 PolarHBondContact O-N 2.83Å; V122-A126 VanDerWaalsContact O-N 3.16Å; V122-L176 HydrophobicContact CB-CD2 4.38Å; V122-L176 HydrophobicContact CG1-CD2 4.35Å; V122-L176 HydrophobicContact CG2-CD2 4.29Å; V122-V180 HydrophobicContact CG2-CG2 3.68Å |
| 123 | F | 88.3 | Confident | 86.4 | Confident | 68 Ų | 68 | 34.5 Ų | 34.5 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -43.3 | -180 | -81.5 | -77.5 | 0 | 0 | 0 | 112.1 | V88 F91 L95 L119 S120 T125 A126 | V88-F123 HydrophobicContact CG1-CB 3.69Å; V88-F123 HydrophobicContact CG1-CD1 4.48Å; F91-F123 HydrophobicContact CD1-CD1 4.44Å; F91-F123 HydrophobicContact CD1-CE1 4.42Å; F91-F123 HydrophobicContact CE1-CD1 4.49Å; F91-F123 HydrophobicContact CE1-CE1 4.04Å; F91-F123 HydrophobicContact CE1-CZ 4.24Å; L95-F123 HydrophobicContact CD2-CE2 4.14Å; L95-F123 HydrophobicContact CD2-CZ 4.05Å; L119-F123 HydrophobicContact CD2-CD2 4.05Å; L119-F123 HydrophobicContact CD2-CE2 3.56Å; L119-F123 HydrophobicContact CG-CD2 4.26Å; L119-F123 HydrophobicContact CG-CE2 3.97Å; L119-F123 VanDerWaalsContact O-CD2 3.31Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.43Å; S120-F123 PolarHBondContact O-N 3.2Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.34Å; F123-A126 WeakPolarHBondContact O-CB 3.33Å; F123-A126 PolarHBondContact O-N 3.14Å |
| 124 | T | 86.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.9 | -50.6 | 0 | 0 | 0 | 0 | 111.1 | M85 C89 S120 G121 V122 A126 I127 M128 | M85-T124 HydrophobicContact CG-CG2 3.65Å; M85-T124 HydrophobicContact SD-CG2 4.4Å; C89-T124 WeakPolarHBondContact CA-OG1 3.45Å; C89-T124 VanDerWaalsContact CB-OG1 3.31Å; C89-T124 WeakPolarHBondContact CB-OG1 3.42Å; S120-T124 WeakPolarHBondContact O-CB 3.5Å; S120-T124 PolarHBondContact O-N 2.89Å; S120-T124 PolarHBondContact O-OG1 3.26Å; G121-T124 PolarHBondContact O-N 3.39Å; V122-T124 PolarHBondContact O-N 2.86Å; T124-A126 VanDerWaalsContact C-N 3.28Å; T124-A126 PolarHBondContact O-N 2.9Å; T124-I127 PolarHBondContact O-N 3.5Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T124-M128 HydrophobicContact CG2-CG 4.27Å; T124-M128 HydrophobicContact CG2-SD 3.76Å; T124-M128 PolarHBondContact O-N 2.98Å |
| 125 | T | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | G121 V122 F123 I127 M128 A129 T172 T175 L176 D179 | G121-T125 VanDerWaalsContact O-CB 3.29Å; G121-T125 WeakPolarHBondContact O-CB 3.45Å; G121-T125 PolarHBondContact O-N 3.46Å; G121-T125 PolarHBondContact O-OG1 2.54Å; V122-T125 PolarHBondContact O-N 3.08Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.34Å; T125-I127 PolarHBondContact O-N 3.11Å; T125-M128 PolarHBondContact O-N 2.89Å; T125-A129 HydrophobicContact CG2-CB 4.24Å; T125-A129 WeakPolarHBondContact O-CB 3.14Å; T125-A129 PolarHBondContact O-N 3.36Å; T125-T172 HydrophobicContact CG2-CG2 4.08Å; T125-T175 HydrophobicContact CG2-CG2 3.59Å; T125-L176 HydrophobicContact CG2-CD2 3.66Å; T125-L176 HydrophobicContact CG2-CG 3.8Å; T125-D179 WeakPolarHBondContact OG1-CB 3.43Å; T125-D179 PolarHBondContact OG1-OD2 3.39Å |
| 126 | A | 86.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -29.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V122 F123 T124 Y169 | V122-A126 PolarHBondContact O-N 2.83Å; V122-A126 VanDerWaalsContact O-N 3.16Å; F123-A126 WeakPolarHBondContact O-CB 3.33Å; F123-A126 PolarHBondContact O-N 3.14Å; T124-A126 VanDerWaalsContact C-N 3.28Å; T124-A126 PolarHBondContact O-N 2.9Å; A126-Y169 VanDerWaalsContact O-CE1 3.31Å; A126-Y169 WeakPolarHBondContact O-CE1 3Å; A126-Y169 PolarHBondContact O-OH 2.84Å |
| 127 | I | 84.2 | Confident | 84.1 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 41% | 0.41 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -89.2 | -39.7 | 176.2 | -64.1 | -179.1 | 0 | 0 | 0 | 111.1 | V88 T124 T125 | V88-I127 HydrophobicContact CB-CD1 3.74Å; V88-I127 HydrophobicContact CG1-CD1 3.81Å; V88-I127 HydrophobicContact CG2-CD1 3.56Å; T124-I127 PolarHBondContact O-N 3.5Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T125-I127 PolarHBondContact O-N 3.11Å |
| 128 | M | 82.6 | Confident | 83.5 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -75.4 | -35.6 | -175.7 | -72.7 | -172.7 | 67.3 | 0 | 0 | 113.7 | M85 T124 T125 G131 E132 | M85-M128 HydrophobicContact CE-CE 4.15Å; M85-M128 HydrophobicContact CE-CG 3.51Å; M85-M128 HydrophobicContact CE-SD 3.71Å; M85-M128 HydrophobicContact CG-CG 4.36Å; M85-M128 HydrophobicContact CG-SD 4.26Å; M85-M128 HydrophobicContact SD-CE 4.33Å; M85-M128 HydrophobicContact SD-CG 4.03Å; M85-M128 HydrophobicContact SD-SD 3.52Å; T124-M128 HydrophobicContact CG2-CG 4.27Å; T124-M128 HydrophobicContact CG2-SD 3.76Å; T124-M128 PolarHBondContact O-N 2.98Å; T125-M128 PolarHBondContact O-N 2.89Å; M128-G131 PolarHBondContact O-N 2.96Å; M128-E132 PolarHBondContact O-N 2.99Å |
| 129 | A | 83.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | T125 G131 E132 R133 Y169 T172 | T125-A129 HydrophobicContact CG2-CB 4.24Å; T125-A129 WeakPolarHBondContact O-CB 3.14Å; T125-A129 PolarHBondContact O-N 3.36Å; A129-G131 PolarHBondContact O-N 2.99Å; A129-E132 PolarHBondContact O-N 3.36Å; A129-R133 WeakPolarHBondContact O-CB 3.44Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-Y169 HydrophobicContact CB-CD1 4.32Å; A129-Y169 HydrophobicContact CB-CE1 4.49Å; A129-T172 HydrophobicContact CB-CG2 4.1Å |
| 130 | P | 83.6 | Confident | 81 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -47 | 172.8 | -27.1 | 36.1 | 0 | 0 | 0 | 112.7 | R133 I134 I168 Y169 | P130-R133 PolarHBondContact O-N 3.4Å; P130-I134 VanDerWaalsContact O-CD1 3.23Å; P130-I134 WeakPolarHBondContact O-CD1 3.22Å; P130-I134 WeakPolarHBondContact O-CG1 3.29Å; P130-I134 PolarHBondContact O-N 3.32Å; P130-I168 HydrophobicContact CB-CG2 3.57Å; P130-I168 HydrophobicContact CG-CG2 3.91Å; P130-Y169 HydrophobicContact CG-CD1 4.43Å; P130-Y169 HydrophobicContact CG-CE1 3.77Å; P130-Y169 HydrophobicContact CG-CE2 3.96Å |
| 131 | G | 81.8 | Confident | 80.1 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -45 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M128 A129 R133 I134 K135 | M128-G131 PolarHBondContact O-N 2.96Å; A129-G131 PolarHBondContact O-N 2.99Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.94Å; G131-I134 PolarHBondContact O-N 3.02Å; G131-K135 VanDerWaalsContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CB 3.37Å; G131-K135 PolarHBondContact O-N 2.83Å |
| 132 | E | 77.9 | Confident | 79 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.6 | -71.8 | -165.1 | 154.7 | 0 | 0 | 111.6 | M128 A129 K135 C136 T175 R178 K234 | M128-E132 PolarHBondContact O-N 2.99Å; A129-E132 PolarHBondContact O-N 3.36Å; E132-K135 PolarHBondContact O-N 3.34Å; E132-C136 WeakPolarHBondContact O-CB 3.49Å; E132-C136 PolarHBondContact O-N 3.38Å; E132-T175 VanDerWaalsContact OE2-CG2 3.23Å; E132-T175 WeakPolarHBondContact OE2-CG2 3.42Å; E132-T175 PolarHBondContact OE2-OG1 3.09Å; E132-R178 IonicContact OE1-CZ 3.85Å; E132-R178 IonicContact OE1-NH2 2.78Å; E132-R178 PolarHBondContact OE1-NH2 3.41Å; E132-K234 IonicContact OE2-NZ 2.67Å |
| 133 | R | 80.4 | Confident | 77.5 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -50.2 | 179.4 | -175.7 | -174 | 176.7 | 126.9 | -9.7 | 112 | A129 P130 G131 K135 C136 L137 G167 I168 K170 | A129-R133 WeakPolarHBondContact O-CB 3.44Å; A129-R133 PolarHBondContact O-N 3.42Å; P130-R133 PolarHBondContact O-N 3.4Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.94Å; R133-K135 PolarHBondContact O-N 2.95Å; R133-C136 WeakPolarHBondContact O-CB 3.19Å; R133-C136 PolarHBondContact O-N 3.16Å; R133-C136 VanDerWaalsContact O-N 3.14Å; R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 PolarHBondContact O-N 3.48Å; R133-G167 PolarHBondContact NE-O 3.15Å; R133-G167 PolarHBondContact NH1-O 2.79Å; R133-G167 PolarHBondContact NH2-O 2.86Å; R133-G167 VanDerWaalsContact NH2-O 3.1Å; R133-I168 WeakPolarHBondContact CD-O 3.22Å; R133-K170 PolarHBondContact NH1-O 2.92Å |
| 134 | I | 81.4 | Confident | 76.3 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 179.3 | -64.3 | 153.1 | 0 | 0 | 0 | 109.4 | P130 G131 C136 L137 L138 P152 C155 V156 | P130-I134 VanDerWaalsContact O-CD1 3.23Å; P130-I134 WeakPolarHBondContact O-CD1 3.22Å; P130-I134 WeakPolarHBondContact O-CG1 3.29Å; P130-I134 PolarHBondContact O-N 3.32Å; G131-I134 PolarHBondContact O-N 3.02Å; I134-C136 PolarHBondContact O-N 3.26Å; I134-L137 PolarHBondContact O-N 2.92Å; I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.44Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 2.84Å; I134-P152 HydrophobicContact CG2-CB 3.94Å; I134-C155 HydrophobicContact CG2-CB 4.11Å; I134-V156 HydrophobicContact CD1-CG2 3.24Å; I134-V156 HydrophobicContact CG1-CG2 3.85Å |
| 135 | K | 77.4 | Confident | 75.2 | Confident | 117 Ų | 117 | 47 Ų | 47 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 175.2 | -174.8 | 177.6 | 179.1 | 179.7 | 0 | 110.8 | G131 E132 R133 L137 L138 Q139 | G131-K135 VanDerWaalsContact O-CB 3.31Å; G131-K135 WeakPolarHBondContact O-CB 3.37Å; G131-K135 PolarHBondContact O-N 2.83Å; E132-K135 PolarHBondContact O-N 3.34Å; R133-K135 PolarHBondContact O-N 2.95Å; K135-L137 PolarHBondContact O-N 3.21Å; K135-L138 PolarHBondContact O-N 3.31Å; K135-Q139 HydrophobicContact CG-CG 4.39Å; K135-Q139 WeakPolarHBondContact O-CB 3.48Å; K135-Q139 WeakPolarHBondContact O-CG 3.27Å; K135-Q139 PolarHBondContact O-N 2.98Å |
| 136 | C | 71.9 | Confident | 74.5 | Confident | 43 Ų | 43 | 54 Ų | 54 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | E132 R133 I134 L138 Q139 I140 | E132-C136 WeakPolarHBondContact O-CB 3.49Å; E132-C136 PolarHBondContact O-N 3.38Å; R133-C136 WeakPolarHBondContact O-CB 3.19Å; R133-C136 PolarHBondContact O-N 3.16Å; R133-C136 VanDerWaalsContact O-N 3.14Å; I134-C136 PolarHBondContact O-N 3.26Å; C136-L138 PolarHBondContact O-N 3.35Å; C136-Q139 WeakPolarHBondContact O-CB 3.5Å; C136-Q139 PolarHBondContact O-N 3.23Å; C136-I140 WeakPolarHBondContact O-CG1 3.23Å; C136-I140 PolarHBondContact O-N 2.59Å |
| 137 | L | 75.1 | Confident | 74 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.5 | -71.1 | 175.1 | 0 | 0 | 0 | 112.5 | R133 I134 K135 Q139 I140 Q141 Y149 L159 | R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 PolarHBondContact O-N 3.48Å; I134-L137 PolarHBondContact O-N 2.92Å; K135-L137 PolarHBondContact O-N 3.21Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.06Å; L137-I140 PolarHBondContact O-N 3.03Å; L137-Q141 PolarHBondContact O-N 2.93Å; L137-Y149 HydrophobicContact CB-CE2 4.04Å; L137-L159 HydrophobicContact CD1-CD1 4.32Å; L137-L159 HydrophobicContact CD1-CD2 4.27Å |
| 138 | L | 74.6 | Confident | 73.7 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 176 | -68.4 | 173.4 | 0 | 0 | 0 | 112.1 | I134 K135 C136 A142 Y149 P152 | I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.44Å; I134-L138 WeakPolarHBondContact O-CG 3.48Å; I134-L138 PolarHBondContact O-N 2.84Å; K135-L138 PolarHBondContact O-N 3.31Å; C136-L138 PolarHBondContact O-N 3.35Å; L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 3.02Å; L138-Y149 HydrophobicContact CD2-CD2 4.47Å; L138-P152 HydrophobicContact CD1-CB 4.1Å; L138-P152 HydrophobicContact CD1-CG 3.71Å |
| 139 | Q | 64.2 | Low | 73.6 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.9 | -72.3 | -172 | -28.1 | 0 | 0 | 111.9 | T40 K135 C136 L137 A142 S143 | T40-Q139 HydrophobicContact CG2-CB 3.63Å; T40-Q139 HydrophobicContact CG2-CG 3.39Å; K135-Q139 HydrophobicContact CG-CG 4.39Å; K135-Q139 WeakPolarHBondContact O-CB 3.48Å; K135-Q139 WeakPolarHBondContact O-CG 3.27Å; K135-Q139 PolarHBondContact O-N 2.98Å; C136-Q139 WeakPolarHBondContact O-CB 3.5Å; C136-Q139 PolarHBondContact O-N 3.23Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.06Å; Q139-A142 PolarHBondContact O-N 2.89Å; Q139-S143 PolarHBondContact O-N 3.29Å; Q139-S143 VanDerWaalsContact O-N 3.16Å |
| 140 | I | 65.9 | Low | 73.4 | Confident | 88 Ų | 88 | 61 Ų | 61 | 45% | 0.451 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 174.9 | -69 | 165.6 | 0 | 0 | 0 | 110.2 | C136 L137 A142 S143 T144 | C136-I140 WeakPolarHBondContact O-CG1 3.23Å; C136-I140 PolarHBondContact O-N 2.59Å; L137-I140 PolarHBondContact O-N 3.03Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.38Å; I140-S143 WeakPolarHBondContact O-CA 3.34Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.37Å; I140-S143 PolarHBondContact O-OG 3.28Å; I140-T144 HydrophobicContact CG2-CG2 4.28Å; I140-T144 PolarHBondContact O-N 2.89Å; I140-T144 PolarHBondContact O-OG1 3.14Å |
| 141 | Q | 71.1 | Confident | 73.2 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.6 | -41.4 | 177.6 | 151.1 | 170 | -27.4 | 0 | 0 | 112.5 | L137 S143 T144 G145 E146 Y149 | L137-Q141 PolarHBondContact O-N 2.93Å; Q141-S143 PolarHBondContact O-N 2.86Å; Q141-T144 PolarHBondContact O-N 3.45Å; Q141-T144 PolarHBondContact O-OG1 3.43Å; Q141-G145 PolarHBondContact O-N 3.48Å; Q141-E146 WeakPolarHBondContact CG-O 3.26Å; Q141-Y149 PolarHBondContact NE2-O 3.44Å; Q141-Y149 VanDerWaalsContact OE1-CD2 3.26Å |
| 142 | A | 63.6 | Low | 73.1 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.2 | -31.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L138 Q139 I140 | L138-A142 WeakPolarHBondContact O-CB 3.37Å; L138-A142 PolarHBondContact O-N 3.02Å; Q139-A142 PolarHBondContact O-N 2.89Å; I140-A142 VanDerWaalsContact C-N 3.3Å; I140-A142 PolarHBondContact O-N 3.38Å |
| 143 | S | 59.6 | Low | 73.4 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.9 | -34.2 | 177.4 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | Q139 I140 Q141 | Q139-S143 PolarHBondContact O-N 3.29Å; Q139-S143 VanDerWaalsContact O-N 3.16Å; I140-S143 WeakPolarHBondContact O-CA 3.34Å; I140-S143 WeakPolarHBondContact O-CB 3.46Å; I140-S143 PolarHBondContact O-N 3.37Å; I140-S143 PolarHBondContact O-OG 3.28Å; Q141-S143 PolarHBondContact O-N 2.86Å |
| 144 | T | 63.2 | Low | 73.6 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -84.8 | -22.2 | -179.2 | 59.2 | 0 | 0 | 0 | 0 | 113 | I140 Q141 E146 | I140-T144 HydrophobicContact CG2-CG2 4.28Å; I140-T144 PolarHBondContact O-N 2.89Å; I140-T144 PolarHBondContact O-OG1 3.14Å; Q141-T144 PolarHBondContact O-N 3.45Å; Q141-T144 PolarHBondContact O-OG1 3.43Å; T144-E146 PolarHBondContact O-N 2.99Å; T144-E146 PolarHBondContact OG1-N 3.46Å |
| 145 | G | 64.5 | Low | 73.7 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | trans | 77.5 | -2.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q141 V147 | Q141-G145 PolarHBondContact O-N 3.48Å; G145-V147 PolarHBondContact O-N 3.49Å | ||
| 146 | E | 71.2 | Confident | 74.2 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | trans | -85.6 | 109.2 | 176.5 | -68.9 | -176 | 169.3 | 0 | 0 | 110.4 | Q141 T144 K148 | Q141-E146 WeakPolarHBondContact CG-O 3.26Å; T144-E146 PolarHBondContact O-N 2.99Å; T144-E146 PolarHBondContact OG1-N 3.46Å; E146-K148 PolarHBondContact O-N 3.35Å | ||
| 147 | V | 75.9 | Confident | 75 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 73% | 0.733 | 39% | 0.386 | S | S | * | . | trans | -78.5 | 89 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | G145 | G145-V147 PolarHBondContact O-N 3.49Š| ||
| 148 | K | 78.1 | Confident | 75.6 | Confident | 99 Ų | 99 | 67.5 Ų | 67.5 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | trans | -84.9 | -35.8 | 173.1 | -171.6 | 176.3 | 178.9 | -168.8 | 0 | 112.5 | E146 Q158 E162 | E146-K148 PolarHBondContact O-N 3.35Å; K148-Q158 PolarHBondContact O-NE2 3.45Å; K148-Q158 PolarHBondContact O-OE1 2.69Å; K148-E162 WeakPolarHBondContact CE-OE1 3.17Å; K148-E162 IonicContact NZ-OE1 3.96Å; K148-E162 PolarHBondContact NZ-OE1 2.88Å; K148-E162 IonicContact NZ-OE2 3.81Å; K148-E162 PolarHBondContact NZ-OE2 3.32Å | ||
| 149 | Y | 80.8 | Confident | 76.1 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | trans | -119.4 | 126.9 | -175.7 | -49.3 | -65.5 | 0 | 0 | 0 | 110.6 | L137 L138 Q141 G151 C155 Q158 | L137-Y149 HydrophobicContact CB-CE2 4.04Å; L138-Y149 HydrophobicContact CD2-CD2 4.47Å; Q141-Y149 PolarHBondContact NE2-O 3.44Å; Q141-Y149 VanDerWaalsContact OE1-CD2 3.26Å; Y149-G151 PolarHBondContact O-N 2.87Å; Y149-C155 HydrophobicContact CD1-CB 3.85Å; Y149-C155 HydrophobicContact CD2-CB 4.38Å; Y149-C155 HydrophobicContact CE1-CB 4.42Å; Y149-C155 HydrophobicContact CG-CB 3.81Å; Y149-Q158 HydrophobicContact CD1-CB 4.39Å; Y149-Q158 HydrophobicContact CE1-CB 4.2Å | ||
| 150 | A | 78.2 | Confident | 77.3 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 78% | 0.777 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -70.9 | -17.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D154 | A150-D154 HydrophobicContact CB-CB 4.18Å; A150-D154 PolarHBondContact N-OD2 2.93Å |
| 151 | G | 79.6 | Confident | 78.5 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 18% | 0.175 | 41% | 0.413 | C | S | . | . | S | Bend | trans | 173.6 | -174 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y149 M153 D154 C155 | Y149-G151 PolarHBondContact O-N 2.87Å; G151-M153 PolarHBondContact O-N 3.14Å; G151-D154 PolarHBondContact O-N 2.99Å; G151-C155 WeakPolarHBondContact O-CB 3.35Å; G151-C155 PolarHBondContact O-N 2.91Å |
| 152 | P | 80 | Confident | 79.2 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | -177.4 | -22.6 | 31 | 0 | 0 | 0 | 113.9 | I134 L138 C155 V156 | I134-P152 HydrophobicContact CG2-CB 3.94Å; L138-P152 HydrophobicContact CD1-CB 4.1Å; L138-P152 HydrophobicContact CD1-CG 3.71Å; P152-C155 WeakPolarHBondContact O-CB 3.32Å; P152-C155 PolarHBondContact O-N 3.42Å; P152-V156 WeakPolarHBondContact O-CG2 3.26Å; P152-V156 PolarHBondContact O-N 3.02Å; P152-V156 VanDerWaalsContact O-N 3.08Å |
| 153 | M | 84.3 | Confident | 79.9 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.3 | -36 | -178.7 | -167.1 | 59.3 | 65.3 | 0 | 0 | 112.3 | G151 V156 K157 | G151-M153 PolarHBondContact O-N 3.14Å; M153-V156 PolarHBondContact O-N 3.48Å; M153-K157 WeakPolarHBondContact O-CG 3.42Å; M153-K157 PolarHBondContact O-N 3.13Å |
| 154 | D | 85.9 | Confident | 81.3 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 174.3 | -176.3 | 45.4 | 0 | 0 | 0 | 111 | A150 G151 V156 K157 Q158 | A150-D154 HydrophobicContact CB-CB 4.18Å; A150-D154 PolarHBondContact N-OD2 2.93Å; G151-D154 PolarHBondContact O-N 2.99Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.39Å; D154-K157 PolarHBondContact O-N 3.36Å; D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 2.94Å; D154-Q158 PolarHBondContact O-N 3.11Å; D154-Q158 PolarHBondContact OD1-NE2 3.32Å; D154-Q158 PolarHBondContact OD2-NE2 3.38Å |
| 155 | C | 82.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.9 | -45.5 | 171.8 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | I134 Y149 G151 P152 L159 | I134-C155 HydrophobicContact CG2-CB 4.11Å; Y149-C155 HydrophobicContact CD1-CB 3.85Å; Y149-C155 HydrophobicContact CD2-CB 4.38Å; Y149-C155 HydrophobicContact CE1-CB 4.42Å; Y149-C155 HydrophobicContact CG-CB 3.81Å; G151-C155 WeakPolarHBondContact O-CB 3.35Å; G151-C155 PolarHBondContact O-N 2.91Å; P152-C155 WeakPolarHBondContact O-CB 3.32Å; P152-C155 PolarHBondContact O-N 3.42Å; C155-L159 WeakPolarHBondContact O-CB 3.3Å; C155-L159 PolarHBondContact O-N 3.42Å |
| 156 | V | 87.2 | Confident | 83.1 | Confident | 41 Ų | 41 | 87.9 Ų | 87.9 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | I134 P152 M153 D154 L159 Y160 I168 | I134-V156 HydrophobicContact CD1-CG2 3.24Å; I134-V156 HydrophobicContact CG1-CG2 3.85Å; P152-V156 WeakPolarHBondContact O-CG2 3.26Å; P152-V156 PolarHBondContact O-N 3.02Å; P152-V156 VanDerWaalsContact O-N 3.08Å; M153-V156 PolarHBondContact O-N 3.48Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.39Å; V156-L159 PolarHBondContact O-N 3.44Å; V156-Y160 VanDerWaalsContact O-CB 3.29Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 3.3Å; V156-I168 HydrophobicContact CG1-CD1 4.33Å |
| 157 | K | 89.6 | Confident | 83.4 | Confident | 141 Ų | 141 | 81 Ų | 81 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.5 | -48.1 | -178 | -74 | 177.7 | -179.7 | -176.9 | 0 | 111.9 | M153 D154 Y160 K161 | M153-K157 WeakPolarHBondContact O-CG 3.42Å; M153-K157 PolarHBondContact O-N 3.13Å; D154-K157 PolarHBondContact O-N 3.36Å; K157-Y160 PolarHBondContact O-N 2.97Å; K157-K161 WeakPolarHBondContact O-CB 3.47Å; K157-K161 PolarHBondContact O-N 3.32Å |
| 158 | Q | 87.3 | Confident | 83.8 | Confident | 52 Ų | 52 | 76 Ų | 76 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 178.5 | -69.4 | -172.1 | 29.8 | 0 | 0 | 111.2 | K148 Y149 D154 Y160 K161 E162 | K148-Q158 PolarHBondContact O-NE2 3.45Å; K148-Q158 PolarHBondContact O-OE1 2.69Å; Y149-Q158 HydrophobicContact CD1-CB 4.39Å; Y149-Q158 HydrophobicContact CE1-CB 4.2Å; D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 2.94Å; D154-Q158 PolarHBondContact O-N 3.11Å; D154-Q158 PolarHBondContact OD1-NE2 3.32Å; D154-Q158 PolarHBondContact OD2-NE2 3.38Å; Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.81Å; Q158-K161 PolarHBondContact O-N 2.92Å; Q158-K161 VanDerWaalsContact O-N 3.1Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.31Å |
| 159 | L | 85.4 | Confident | 84 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | -179.3 | -165.5 | 71 | 0 | 0 | 0 | 112.3 | L137 C155 V156 S163 I168 | L137-L159 HydrophobicContact CD1-CD1 4.32Å; L137-L159 HydrophobicContact CD1-CD2 4.27Å; C155-L159 WeakPolarHBondContact O-CB 3.3Å; C155-L159 PolarHBondContact O-N 3.42Å; V156-L159 PolarHBondContact O-N 3.44Å; L159-S163 PolarHBondContact O-N 3.31Å; L159-I168 HydrophobicContact CD2-CB 4.4Å; L159-I168 HydrophobicContact CD2-CG1 4.01Å; L159-I168 HydrophobicContact CG-CG1 4.41Å |
| 160 | Y | 89.8 | Confident | 83.6 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 172.8 | -171.7 | -99.9 | 0 | 0 | 0 | 111.7 | V156 K157 Q158 G164 I168 | V156-Y160 VanDerWaalsContact O-CB 3.29Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 3.3Å; K157-Y160 PolarHBondContact O-N 2.97Å; Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.81Å; Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 3.46Å; Y160-I168 HydrophobicContact CD2-CD1 4.04Å |
| 161 | K | 90.3 | Very high | 83.3 | Confident | 190 Ų | 190 | 79.4 Ų | 79.4 | 83% | 0.826 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.2 | -38 | 177 | -168.4 | -179.8 | 178.9 | -175.8 | 0 | 112.7 | K157 Q158 | K157-K161 WeakPolarHBondContact O-CB 3.47Å; K157-K161 PolarHBondContact O-N 3.32Å; Q158-K161 PolarHBondContact O-N 2.92Å; Q158-K161 VanDerWaalsContact O-N 3.1Å |
| 162 | E | 86.3 | Confident | 83.3 | Confident | 104 Ų | 104 | 79.9 Ų | 79.9 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -76.6 | -39.7 | -178.8 | -73.6 | 179.3 | 174 | 0 | 0 | 113.3 | K148 Q158 | K148-E162 WeakPolarHBondContact CE-OE1 3.17Å; K148-E162 IonicContact NZ-OE1 3.96Å; K148-E162 PolarHBondContact NZ-OE1 2.88Å; K148-E162 IonicContact NZ-OE2 3.81Å; K148-E162 PolarHBondContact NZ-OE2 3.32Å; Q158-E162 WeakPolarHBondContact O-CG 3.47Å; Q158-E162 PolarHBondContact O-N 3.31Å |
| 163 | S | 79.1 | Confident | 83.3 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -144.3 | 10.2 | -168 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | L159 G167 | L159-S163 PolarHBondContact O-N 3.31Å; S163-G167 PolarHBondContact O-N 3.44Å |
| 164 | G | 88.1 | Confident | 82.7 | Confident | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | 59.1 | -154.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y160 R166 G167 I168 | Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 3.46Å; G164-R166 VanDerWaalsContact C-N 3.26Å; G164-R166 PolarHBondContact O-N 2.85Å; G164-G167 WeakPolarHBondContact O-CA 3.41Å; G164-G167 PolarHBondContact O-N 2.85Å; G164-G167 VanDerWaalsContact O-N 3.1Å; G164-I168 PolarHBondContact O-N 3.08Å |
| 165 | I | 85.3 | Confident | 82.5 | Confident | 100 Ų | 100 | 73 Ų | 73 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | 178.7 | -159.5 | 75 | 0 | 0 | 0 | 112.3 | G167 I168 Y169 | I165-G167 VanDerWaalsContact C-N 3.25Å; I165-G167 PolarHBondContact O-N 3.01Å; I165-I168 HydrophobicContact CD1-CD1 4.48Å; I165-I168 PolarHBondContact O-N 3.3Å; I165-I168 VanDerWaalsContact O-N 3.11Å; I165-Y169 HydrophobicContact CD1-CD2 4.31Å; I165-Y169 HydrophobicContact CD1-CE2 4Å; I165-Y169 HydrophobicContact CG1-CD2 3.99Å; I165-Y169 HydrophobicContact CG1-CE2 4.08Å; I165-Y169 WeakPolarHBondContact O-CD2 3.43Å; I165-Y169 PolarHBondContact O-N 2.74Å |
| 166 | R | 80.8 | Confident | 82.6 | Confident | 218 Ų | 218 | 75.4 Ų | 75.4 | 82% | 0.823 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 176.3 | -70.2 | -176.6 | 177.3 | 179.4 | -0.3 | 111.3 | G164 Y169 K170 | G164-R166 VanDerWaalsContact C-N 3.26Å; G164-R166 PolarHBondContact O-N 2.85Å; R166-Y169 PolarHBondContact O-N 3.44Å; R166-K170 WeakPolarHBondContact O-CB 3.4Å; R166-K170 PolarHBondContact O-N 2.87Å |
| 167 | G | 77.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.6 | -56.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R133 S163 G164 I165 Y169 K170 | R133-G167 PolarHBondContact NE-O 3.15Å; R133-G167 PolarHBondContact NH1-O 2.79Å; R133-G167 PolarHBondContact NH2-O 2.86Å; R133-G167 VanDerWaalsContact NH2-O 3.1Å; S163-G167 PolarHBondContact O-N 3.44Å; G164-G167 WeakPolarHBondContact O-CA 3.41Å; G164-G167 PolarHBondContact O-N 2.85Å; G164-G167 VanDerWaalsContact O-N 3.1Å; I165-G167 VanDerWaalsContact C-N 3.25Å; I165-G167 PolarHBondContact O-N 3.01Å; G167-Y169 VanDerWaalsContact C-N 3.32Å; G167-Y169 PolarHBondContact O-N 3.23Å; G167-K170 PolarHBondContact O-N 3.21Å |
| 168 | I | 82.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 73 Ų | 73 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -38.6 | -177.1 | -59.9 | 172.6 | 0 | 0 | 0 | 112.7 | P130 R133 V156 L159 Y160 G164 I165 | P130-I168 HydrophobicContact CB-CG2 3.57Å; P130-I168 HydrophobicContact CG-CG2 3.91Å; R133-I168 WeakPolarHBondContact CD-O 3.22Å; V156-I168 HydrophobicContact CG1-CD1 4.33Å; L159-I168 HydrophobicContact CD2-CB 4.4Å; L159-I168 HydrophobicContact CD2-CG1 4.01Å; L159-I168 HydrophobicContact CG-CG1 4.41Å; Y160-I168 HydrophobicContact CD2-CD1 4.04Å; G164-I168 PolarHBondContact O-N 3.08Å; I165-I168 HydrophobicContact CD1-CD1 4.48Å; I165-I168 PolarHBondContact O-N 3.3Å; I165-I168 VanDerWaalsContact O-N 3.11Å |
| 169 | Y | 82.3 | Confident | 82 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -95 | 1.9 | -177.3 | -76.3 | -91 | 0 | 0 | 0 | 115 | A126 A129 P130 I165 R166 G167 G171 T172 | A126-Y169 VanDerWaalsContact O-CE1 3.31Å; A126-Y169 WeakPolarHBondContact O-CE1 3Å; A126-Y169 PolarHBondContact O-OH 2.84Å; A129-Y169 HydrophobicContact CB-CD1 4.32Å; A129-Y169 HydrophobicContact CB-CE1 4.49Å; P130-Y169 HydrophobicContact CG-CD1 4.43Å; P130-Y169 HydrophobicContact CG-CE1 3.77Å; P130-Y169 HydrophobicContact CG-CE2 3.96Å; I165-Y169 HydrophobicContact CD1-CD2 4.31Å; I165-Y169 HydrophobicContact CD1-CE2 4Å; I165-Y169 HydrophobicContact CG1-CD2 3.99Å; I165-Y169 HydrophobicContact CG1-CE2 4.08Å; I165-Y169 WeakPolarHBondContact O-CD2 3.43Å; I165-Y169 PolarHBondContact O-N 2.74Å; R166-Y169 PolarHBondContact O-N 3.44Å; G167-Y169 VanDerWaalsContact C-N 3.32Å; G167-Y169 PolarHBondContact O-N 3.23Å; Y169-G171 PolarHBondContact O-N 3.41Å; Y169-T172 WeakPolarHBondContact CD1-OG1 3.33Å; Y169-T172 VanDerWaalsContact O-CB 3.26Å; Y169-T172 WeakPolarHBondContact O-CB 3.41Å; Y169-T172 PolarHBondContact O-N 3.43Å; Y169-T172 PolarHBondContact O-OG1 3.35Å |
| 170 | K | 73.3 | Confident | 82.2 | Confident | 158 Ų | 158 | 72 Ų | 72 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 130.4 | 176.1 | 151.8 | -170.8 | -169.2 | -178 | 0 | 110.1 | R133 R166 G167 | R133-K170 PolarHBondContact NH1-O 2.92Å; R166-K170 WeakPolarHBondContact O-CB 3.4Å; R166-K170 PolarHBondContact O-N 2.87Å; G167-K170 PolarHBondContact O-N 3.21Å |
| 171 | G | 71.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -6.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y169 A173 L174 T175 | Y169-G171 PolarHBondContact O-N 3.41Å; G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.45Å; G171-L174 WeakPolarHBondContact O-CB 3.16Å; G171-L174 PolarHBondContact O-N 2.97Å; G171-T175 PolarHBondContact O-N 3.04Å |
| 172 | T | 80.3 | Confident | 82.1 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.1 | -34.6 | 179.6 | -60 | 0 | 0 | 0 | 0 | 113 | T125 A129 Y169 L174 T175 L176 | T125-T172 HydrophobicContact CG2-CG2 4.08Å; A129-T172 HydrophobicContact CB-CG2 4.1Å; Y169-T172 WeakPolarHBondContact CD1-OG1 3.33Å; Y169-T172 VanDerWaalsContact O-CB 3.26Å; Y169-T172 WeakPolarHBondContact O-CB 3.41Å; Y169-T172 PolarHBondContact O-N 3.43Å; Y169-T172 PolarHBondContact O-OG1 3.35Å; T172-L174 PolarHBondContact O-N 3.4Å; T172-T175 PolarHBondContact O-N 3.03Å; T172-T175 VanDerWaalsContact O-N 3.15Å; T172-L176 HydrophobicContact CG2-CD1 3.98Å; T172-L176 HydrophobicContact CG2-CG 4.11Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 3.28Å |
| 173 | A | 79.1 | Confident | 82.1 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G171 M177 | G171-A173 VanDerWaalsContact C-N 3.25Å; G171-A173 PolarHBondContact O-N 3.45Å; A173-M177 PolarHBondContact O-N 2.93Å; A173-M177 VanDerWaalsContact O-N 3.07Å |
| 174 | L | 73.5 | Confident | 82.6 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 177.9 | -48.4 | -169.5 | 0 | 0 | 0 | 111.6 | G171 T172 M177 R178 K234 F249 | G171-L174 WeakPolarHBondContact O-CB 3.16Å; G171-L174 PolarHBondContact O-N 2.97Å; T172-L174 PolarHBondContact O-N 3.4Å; L174-M177 PolarHBondContact O-N 3.18Å; L174-R178 PolarHBondContact O-N 3.46Å; L174-K234 HydrophobicContact CB-CD 4.33Å; L174-F249 HydrophobicContact CB-CZ 4.4Å; L174-F249 HydrophobicContact CD1-CZ 4.07Å; L174-F249 HydrophobicContact CD2-CD2 4.5Å; L174-F249 HydrophobicContact CD2-CE2 3.19Å; L174-F249 HydrophobicContact CD2-CZ 3.28Å; L174-F249 HydrophobicContact CG-CE2 4.42Å; L174-F249 HydrophobicContact CG-CZ 4.1Å |
| 175 | T | 80.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | T125 E132 G171 T172 M177 R178 D179 K234 | T125-T175 HydrophobicContact CG2-CG2 3.59Å; E132-T175 VanDerWaalsContact OE2-CG2 3.23Å; E132-T175 WeakPolarHBondContact OE2-CG2 3.42Å; E132-T175 PolarHBondContact OE2-OG1 3.09Å; G171-T175 PolarHBondContact O-N 3.04Å; T172-T175 PolarHBondContact O-N 3.03Å; T172-T175 VanDerWaalsContact O-N 3.15Å; T175-M177 PolarHBondContact O-N 2.96Å; T175-R178 PolarHBondContact O-N 2.92Å; T175-D179 WeakPolarHBondContact CG2-OD2 3.15Å; T175-D179 WeakPolarHBondContact O-CB 3.48Å; T175-D179 VanDerWaalsContact O-CG 3.32Å; T175-D179 PolarHBondContact O-N 3.49Å; T175-K234 PolarHBondContact OG1-NZ 3.38Å |
| 176 | L | 85.4 | Confident | 83 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 174.9 | -74.2 | 170.2 | 0 | 0 | 0 | 112.8 | V122 T125 T172 R178 D179 V180 | V122-L176 HydrophobicContact CB-CD2 4.38Å; V122-L176 HydrophobicContact CG1-CD2 4.35Å; V122-L176 HydrophobicContact CG2-CD2 4.29Å; T125-L176 HydrophobicContact CG2-CD2 3.66Å; T125-L176 HydrophobicContact CG2-CG 3.8Å; T172-L176 HydrophobicContact CG2-CD1 3.98Å; T172-L176 HydrophobicContact CG2-CG 4.11Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 3.28Å; L176-R178 PolarHBondContact O-N 3.47Å; L176-D179 PolarHBondContact O-N 2.97Å; L176-V180 HydrophobicContact CB-CG2 4.28Å; L176-V180 HydrophobicContact CD2-CG2 3.8Å; L176-V180 WeakPolarHBondContact O-CB 3.34Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 3.24Å |
| 177 | M | 82.9 | Confident | 83.3 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 49% | 0.488 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -31 | 178.6 | -174.8 | -178.8 | -70.6 | 0 | 0 | 112.7 | A173 L174 T175 P181 F249 | A173-M177 PolarHBondContact O-N 2.93Å; A173-M177 VanDerWaalsContact O-N 3.07Å; L174-M177 PolarHBondContact O-N 3.18Å; T175-M177 PolarHBondContact O-N 2.96Å; M177-P181 WeakPolarHBondContact O-CD 3.39Å; M177-P181 WeakPolarHBondContact O-CG 3.47Å; M177-F249 HydrophobicContact CE-CD2 4.07Å; M177-F249 HydrophobicContact CE-CE2 4.15Å; M177-F249 HydrophobicContact SD-CD2 4.16Å; M177-F249 HydrophobicContact SD-CE2 4.16Å |
| 178 | R | 83.9 | Confident | 83.9 | Confident | 32 Ų | 32 | 41.6 Ų | 41.6 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -85.9 | -51.7 | 175 | -176.1 | -166.3 | 69.3 | 173.3 | -0.7 | 111.6 | E132 L174 T175 L176 V180 P181 A182 A227 P230 D231 | E132-R178 IonicContact OE1-CZ 3.85Å; E132-R178 IonicContact OE1-NH2 2.78Å; E132-R178 PolarHBondContact OE1-NH2 3.41Å; L174-R178 PolarHBondContact O-N 3.46Å; T175-R178 PolarHBondContact O-N 2.92Å; L176-R178 PolarHBondContact O-N 3.47Å; R178-V180 PolarHBondContact O-N 3.31Å; R178-P181 WeakPolarHBondContact O-CD 2.87Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 2.9Å; R178-A227 HydrophobicContact CG-CB 3.99Å; R178-P230 HydrophobicContact CB-CB 4.24Å; R178-P230 HydrophobicContact CB-CG 4.24Å; R178-P230 HydrophobicContact CG-CG 4.15Å; R178-D231 IonicContact NH1-OD1 2.71Å; R178-D231 PolarHBondContact NH1-OD1 3.48Å |
| 179 | D | 85.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.8 | -32.8 | -165.7 | -71.1 | 8.8 | 0 | 0 | 0 | 112.3 | T125 T175 L176 S183 | T125-D179 WeakPolarHBondContact OG1-CB 3.43Å; T125-D179 PolarHBondContact OG1-OD2 3.39Å; T175-D179 WeakPolarHBondContact CG2-OD2 3.15Å; T175-D179 WeakPolarHBondContact O-CB 3.48Å; T175-D179 VanDerWaalsContact O-CG 3.32Å; T175-D179 PolarHBondContact O-N 3.49Å; L176-D179 PolarHBondContact O-N 2.97Å; D179-S183 WeakPolarHBondContact O-CB 3.38Å; D179-S183 PolarHBondContact O-N 3.09Å; D179-S183 PolarHBondContact O-OG 2.66Å |
| 180 | V | 89.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.4 | -55.4 | -178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | M118 V122 L176 R178 A182 S183 G184 | M118-V180 HydrophobicContact CB-CG1 3.53Å; M118-V180 HydrophobicContact CE-CG1 3.4Å; M118-V180 VanDerWaalsContact CE-CG1 3.4Å; M118-V180 HydrophobicContact CG-CG1 3.74Å; M118-V180 HydrophobicContact SD-CG1 4.4Å; V122-V180 HydrophobicContact CG2-CG2 3.68Å; L176-V180 HydrophobicContact CB-CG2 4.28Å; L176-V180 HydrophobicContact CD2-CG2 3.8Å; L176-V180 WeakPolarHBondContact O-CB 3.34Å; L176-V180 VanDerWaalsContact O-CG2 3.25Å; L176-V180 WeakPolarHBondContact O-CG2 3.31Å; L176-V180 PolarHBondContact O-N 3.24Å; R178-V180 PolarHBondContact O-N 3.31Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.44Å; V180-S183 PolarHBondContact O-N 3.18Å; V180-G184 PolarHBondContact O-N 2.82Å |
| 181 | P | 89.1 | Confident | 84.9 | Confident | 41 Ų | 41 | 32.8 Ų | 32.8 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.6 | -21.9 | 34.3 | 0 | 0 | 0 | 112.8 | M177 R178 G184 M185 V226 | M177-P181 WeakPolarHBondContact O-CD 3.39Å; M177-P181 WeakPolarHBondContact O-CG 3.47Å; R178-P181 WeakPolarHBondContact O-CD 2.87Å; P181-G184 PolarHBondContact O-N 3.18Å; P181-M185 WeakPolarHBondContact O-CB 3.24Å; P181-M185 PolarHBondContact O-N 3.4Å; P181-V226 HydrophobicContact CB-CG1 3.8Å |
| 182 | A | 87.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R178 V180 M185 Y186 N223 A227 | R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 2.9Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.44Å; A182-M185 PolarHBondContact O-N 3.15Å; A182-Y186 WeakPolarHBondContact O-CB 3.48Å; A182-Y186 PolarHBondContact O-N 3.24Å; A182-N223 WeakPolarHBondContact CB-ND2 3.33Å; A182-N223 PolarHBondContact O-ND2 3.15Å; A182-A227 HydrophobicContact CB-CB 3.87Å |
| 183 | S | 87.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 35.9 Ų | 35.9 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | G117 G121 D179 V180 M185 Y186 F187 | G117-S183 CarbonylContact O-C 3.6Å; G117-S183 WeakPolarHBondContact O-CB 3.38Å; G121-S183 WeakPolarHBondContact CA-OG 3.41Å; D179-S183 WeakPolarHBondContact O-CB 3.38Å; D179-S183 PolarHBondContact O-N 3.09Å; D179-S183 PolarHBondContact O-OG 2.66Å; V180-S183 PolarHBondContact O-N 3.18Å; S183-M185 VanDerWaalsContact C-N 3.35Å; S183-M185 PolarHBondContact O-N 3.48Å; S183-Y186 WeakPolarHBondContact O-CB 3.31Å; S183-Y186 PolarHBondContact O-N 3.14Å; S183-F187 WeakPolarHBondContact O-CD2 3.29Å; S183-F187 PolarHBondContact O-N 3Å; S183-F187 VanDerWaalsContact O-N 3.09Å |
| 184 | G | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.8 | -49.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F114 V180 P181 Y186 F187 M188 | F114-G184 WeakPolarHBondContact CD2-O 3.34Å; F114-G184 VanDerWaalsContact O-CA 3.26Å; F114-G184 WeakPolarHBondContact O-CA 3.17Å; V180-G184 PolarHBondContact O-N 2.82Å; P181-G184 PolarHBondContact O-N 3.18Å; G184-Y186 VanDerWaalsContact C-N 3.33Å; G184-Y186 PolarHBondContact O-N 3.36Å; G184-F187 PolarHBondContact O-N 2.9Å; G184-M188 VanDerWaalsContact O-CB 3.31Å; G184-M188 WeakPolarHBondContact O-CB 3.32Å; G184-M188 PolarHBondContact O-N 3.29Å |
| 185 | M | 91.9 | Very high | 86.4 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 17% | 0.167 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.8 | -170.3 | 68.6 | -126.2 | 0 | 0 | 111.9 | F114 P181 A182 S183 M188 S189 F222 V226 | F114-M185 HydrophobicContact CE2-CB 4.29Å; P181-M185 WeakPolarHBondContact O-CB 3.24Å; P181-M185 PolarHBondContact O-N 3.4Å; A182-M185 PolarHBondContact O-N 3.15Å; S183-M185 VanDerWaalsContact C-N 3.35Å; S183-M185 PolarHBondContact O-N 3.48Å; M185-M188 HydrophobicContact CE-CE 3.31Å; M185-M188 HydrophobicContact SD-CE 3.53Å; M185-M188 VanDerWaalsContact SD-CE 3.53Å; M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.46Å; M185-S189 PolarHBondContact O-N 3.45Å; M185-S189 PolarHBondContact O-OG 2.9Å; M185-F222 HydrophobicContact CE-CB 4.11Å; M185-F222 HydrophobicContact CE-CD1 4.34Å; M185-F222 HydrophobicContact CE-CG 4.35Å; M185-F222 HydrophobicContact CG-CB 4.01Å; M185-V226 HydrophobicContact CB-CB 4.35Å; M185-V226 HydrophobicContact CB-CG2 3.95Å; M185-V226 HydrophobicContact CG-CB 4.47Å; M185-V226 HydrophobicContact CG-CG2 3.67Å; M185-V226 HydrophobicContact SD-CG2 4.15Å |
| 186 | Y | 89 | Confident | 86.6 | Confident | 69 Ų | 69 | 39.7 Ų | 39.7 | 27% | 0.271 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58 | -56.9 | 176.9 | -177.1 | -95.2 | 0 | 0 | 0 | 111.2 | A182 S183 G184 M188 S189 Y190 A219 N223 | A182-Y186 WeakPolarHBondContact O-CB 3.48Å; A182-Y186 PolarHBondContact O-N 3.24Å; S183-Y186 WeakPolarHBondContact O-CB 3.31Å; S183-Y186 PolarHBondContact O-N 3.14Å; G184-Y186 VanDerWaalsContact C-N 3.33Å; G184-Y186 PolarHBondContact O-N 3.36Å; Y186-M188 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-OG 3.14Å; Y186-S189 VanDerWaalsContact O-OG 3.11Å; Y186-Y190 WeakPolarHBondContact O-CB 2.95Å; Y186-Y190 PolarHBondContact O-N 3.23Å; Y186-A219 HydrophobicContact CD2-CB 3.86Å; Y186-A219 HydrophobicContact CE2-CB 3.85Å; Y186-A219 HydrophobicContact CG-CB 4.43Å; Y186-N223 HydrophobicContact CD2-CB 4.1Å |
| 187 | F | 87.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.022 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | -177.2 | -77.8 | -74.3 | 0 | 0 | 0 | 112.8 | F90 F93 S120 S183 G184 E191 | F90-F187 HydrophobicContact CD1-CE1 4.34Å; F90-F187 HydrophobicContact CD1-CZ 4.49Å; F90-F187 HydrophobicContact CE1-CE1 4.06Å; F90-F187 HydrophobicContact CE1-CZ 4.41Å; F93-F187 HydrophobicContact CB-CE1 4.11Å; F93-F187 HydrophobicContact CB-CE2 4.19Å; F93-F187 HydrophobicContact CB-CZ 3.89Å; F93-F187 AromaticContact CD1-CD1 3.7Å; F93-F187 HydrophobicContact CD1-CD1 3.7Å; F93-F187 AromaticContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CE1 3.59Å; F93-F187 HydrophobicContact CD1-CG 4.43Å; F93-F187 HydrophobicContact CD1-CZ 4.26Å; F93-F187 HydrophobicContact CD2-CB 4.05Å; F93-F187 AromaticContact CD2-CD1 3.72Å; F93-F187 HydrophobicContact CD2-CD1 3.72Å; F93-F187 AromaticContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CD2 3.87Å; F93-F187 HydrophobicContact CD2-CE1 4.09Å; F93-F187 HydrophobicContact CD2-CE2 4.24Å; F93-F187 AromaticContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CG 3.6Å; F93-F187 HydrophobicContact CD2-CZ 4.33Å; F93-F187 AromaticContact CE1-CD1 3.61Å; F93-F187 HydrophobicContact CE1-CD1 3.61Å; F93-F187 AromaticContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CE1 3.95Å; F93-F187 HydrophobicContact CE1-CG 4.36Å; F93-F187 HydrophobicContact CE2-CB 3.52Å; F93-F187 AromaticContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD1 3.66Å; F93-F187 HydrophobicContact CE2-CD2 4.25Å; F93-F187 HydrophobicContact CE2-CE1 4.43Å; F93-F187 AromaticContact CE2-CG 3.54Å; F93-F187 HydrophobicContact CE2-CG 3.54Å; F93-F187 AromaticContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD1 3.74Å; F93-F187 HydrophobicContact CG-CD2 4.29Å; F93-F187 AromaticContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE1 3.66Å; F93-F187 HydrophobicContact CG-CE2 4.23Å; F93-F187 HydrophobicContact CG-CG 4.06Å; F93-F187 AromaticContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CG-CZ 3.92Å; F93-F187 HydrophobicContact CZ-CB 3.93Å; F93-F187 AromaticContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CD1 3.59Å; F93-F187 HydrophobicContact CZ-CE1 4.36Å; F93-F187 AromaticContact CZ-CG 3.94Å; F93-F187 HydrophobicContact CZ-CG 3.94Å; S120-F187 WeakPolarHBondContact OG-CE2 3.5Å; S183-F187 WeakPolarHBondContact O-CD2 3.29Å; S183-F187 PolarHBondContact O-N 3Å; S183-F187 VanDerWaalsContact O-N 3.09Å; G184-F187 PolarHBondContact O-N 2.9Å; F187-E191 PolarHBondContact O-N 3.1Å |
| 188 | M | 90.1 | Very high | 85.9 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 176.1 | -176.7 | -179.5 | 70 | 0 | 0 | 111.8 | Y110 F114 G184 M185 Y186 Y190 E191 W192 | Y110-M188 HydrophobicContact CD1-CG 4.39Å; F114-M188 HydrophobicContact CB-CB 4.15Å; F114-M188 HydrophobicContact CB-CG 4.45Å; F114-M188 HydrophobicContact CB-SD 3.91Å; F114-M188 HydrophobicContact CD2-CB 4.44Å; F114-M188 HydrophobicContact CD2-CE 4.27Å; F114-M188 HydrophobicContact CD2-SD 4.27Å; F114-M188 HydrophobicContact CG-SD 4.45Å; G184-M188 VanDerWaalsContact O-CB 3.31Å; G184-M188 WeakPolarHBondContact O-CB 3.32Å; G184-M188 PolarHBondContact O-N 3.29Å; M185-M188 HydrophobicContact CE-CE 3.31Å; M185-M188 HydrophobicContact SD-CE 3.53Å; M185-M188 VanDerWaalsContact SD-CE 3.53Å; Y186-M188 PolarHBondContact O-N 3.32Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; M188-E191 PolarHBondContact O-N 3.15Å; M188-W192 VanDerWaalsContact O-CB 3.32Å; M188-W192 WeakPolarHBondContact O-CB 3.27Å; M188-W192 PolarHBondContact O-N 2.81Å |
| 189 | S | 88.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -34.7 | 178.9 | 56 | 0 | 0 | 0 | 0 | 112.3 | M185 Y186 W192 L193 A219 | M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.46Å; M185-S189 PolarHBondContact O-N 3.45Å; M185-S189 PolarHBondContact O-OG 2.9Å; Y186-S189 PolarHBondContact O-N 3.32Å; Y186-S189 PolarHBondContact O-OG 3.14Å; Y186-S189 VanDerWaalsContact O-OG 3.11Å; S189-W192 PolarHBondContact O-N 3.17Å; S189-L193 VanDerWaalsContact O-CB 3.29Å; S189-L193 WeakPolarHBondContact O-CB 2.98Å; S189-L193 WeakPolarHBondContact O-CD1 3.36Å; S189-L193 VanDerWaalsContact O-CG 3.24Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.21Å; S189-A219 WeakPolarHBondContact OG-CA 3.17Å; S189-A219 WeakPolarHBondContact OG-CB 3.47Å |
| 190 | Y | 85.8 | Confident | 83.8 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 18% | 0.18 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 175.1 | 178.4 | -110.3 | 0 | 0 | 0 | 111.9 | Y186 M188 L193 K194 V212 A215 A219 | Y186-Y190 WeakPolarHBondContact O-CB 2.95Å; Y186-Y190 PolarHBondContact O-N 3.23Å; M188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-L193 PolarHBondContact O-N 2.82Å; Y190-K194 HydrophobicContact CD1-CD 3.86Å; Y190-K194 HydrophobicContact CD2-CD 4.39Å; Y190-K194 HydrophobicContact CE1-CD 3.43Å; Y190-K194 VanDerWaalsContact CE1-CD 3.43Å; Y190-K194 HydrophobicContact CE2-CD 4.01Å; Y190-K194 HydrophobicContact CE2-CG 4.49Å; Y190-K194 HydrophobicContact CG-CD 4.34Å; Y190-K194 WeakPolarHBondContact O-CB 3.25Å; Y190-K194 VanDerWaalsContact O-CG 3.29Å; Y190-K194 WeakPolarHBondContact O-CG 2.93Å; Y190-K194 PolarHBondContact O-N 3.25Å; Y190-V212 HydrophobicContact CE2-CG1 4.4Å; Y190-V212 WeakPolarHBondContact OH-CG1 3.45Å; Y190-A215 HydrophobicContact CD2-CB 4.05Å; Y190-A215 HydrophobicContact CE2-CB 4.17Å; Y190-A219 HydrophobicContact CD2-CB 4.48Å |
| 191 | E | 84.2 | Confident | 82.2 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | 177.9 | -66.2 | -63.1 | 172.8 | 0 | 0 | 112.1 | L113 F187 M188 K194 N195 | L113-E191 HydrophobicContact CD1-CB 3.76Å; L113-E191 HydrophobicContact CD1-CG 4.02Å; L113-E191 HydrophobicContact CD2-CG 4.36Å; F187-E191 PolarHBondContact O-N 3.1Å; M188-E191 PolarHBondContact O-N 3.15Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.9Å; E191-K194 IonicContact OE2-NZ 3.8Å; E191-K194 PolarHBondContact OE2-NZ 3.13Å; E191-N195 WeakPolarHBondContact O-CB 3.2Å; E191-N195 PolarHBondContact O-N 3.03Å |
| 192 | W | 86.4 | Confident | 80.7 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.2 | 176.2 | 65.3 | 0 | 0 | 0 | 112.7 | Y110 M188 S189 N195 L196 F222 | Y110-W192 HydrophobicContact CD1-CB 4.19Å; Y110-W192 HydrophobicContact CE1-CB 3.7Å; Y110-W192 HydrophobicContact CE1-CG 4.29Å; Y110-W192 AromaticContact CZ-CD1 3.73Å; M188-W192 VanDerWaalsContact O-CB 3.32Å; M188-W192 WeakPolarHBondContact O-CB 3.27Å; M188-W192 PolarHBondContact O-N 2.81Å; S189-W192 PolarHBondContact O-N 3.17Å; W192-N195 WeakPolarHBondContact O-CB 3.34Å; W192-N195 PolarHBondContact O-N 3.29Å; W192-L196 HydrophobicContact CD2-CD1 3.86Å; W192-L196 VanDerWaalsContact CE2-CD1 3.44Å; W192-L196 HydrophobicContact CE3-CD1 4.24Å; W192-L196 HydrophobicContact CG-CD1 4.47Å; W192-L196 HydrophobicContact CH2-CD1 3.91Å; W192-L196 HydrophobicContact CZ2-CD1 3.49Å; W192-L196 VanDerWaalsContact CZ2-CD1 3.49Å; W192-L196 HydrophobicContact CZ3-CD1 4.27Å; W192-L196 PolarHBondContact O-N 3.49Å; W192-F222 HydrophobicContact CZ3-CE2 4.33Å; W192-F222 HydrophobicContact CZ3-CZ 4.15Å |
| 193 | L | 86.1 | Confident | 79.3 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 176.6 | -74.9 | 165.4 | 0 | 0 | 0 | 111.6 | S189 Y190 N195 L196 L197 A215 M218 F222 | S189-L193 VanDerWaalsContact O-CB 3.29Å; S189-L193 WeakPolarHBondContact O-CB 2.98Å; S189-L193 WeakPolarHBondContact O-CD1 3.36Å; S189-L193 VanDerWaalsContact O-CG 3.24Å; S189-L193 WeakPolarHBondContact O-CG 3.4Å; S189-L193 PolarHBondContact O-N 3.21Å; Y190-L193 PolarHBondContact O-N 2.82Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.09Å; L193-L196 PolarHBondContact O-N 3.26Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 WeakPolarHBondContact O-CD1 3.39Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.03Å; L193-A215 HydrophobicContact CB-CB 3.85Å; L193-M218 HydrophobicContact CD1-CB 3.44Å; L193-M218 VanDerWaalsContact CD1-CB 3.44Å; L193-F222 HydrophobicContact CD1-CE2 4.29Å |
| 194 | K | 81.3 | Confident | 77.8 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 10% | 0.1 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172 | -77.5 | 174.2 | 62.7 | -144.7 | 0 | 111.4 | Y190 E191 L196 L197 T198 L207 A215 | Y190-K194 HydrophobicContact CD1-CD 3.86Å; Y190-K194 HydrophobicContact CD2-CD 4.39Å; Y190-K194 HydrophobicContact CE1-CD 3.43Å; Y190-K194 VanDerWaalsContact CE1-CD 3.43Å; Y190-K194 HydrophobicContact CE2-CD 4.01Å; Y190-K194 HydrophobicContact CE2-CG 4.49Å; Y190-K194 HydrophobicContact CG-CD 4.34Å; Y190-K194 WeakPolarHBondContact O-CB 3.25Å; Y190-K194 VanDerWaalsContact O-CG 3.29Å; Y190-K194 WeakPolarHBondContact O-CG 2.93Å; Y190-K194 PolarHBondContact O-N 3.25Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.9Å; E191-K194 IonicContact OE2-NZ 3.8Å; E191-K194 PolarHBondContact OE2-NZ 3.13Å; K194-L196 PolarHBondContact O-N 3.46Å; K194-L197 PolarHBondContact O-N 3.41Å; K194-T198 WeakPolarHBondContact O-CB 3.21Å; K194-T198 PolarHBondContact O-N 3.11Å; K194-T198 PolarHBondContact O-OG1 2.96Å; K194-L207 HydrophobicContact CB-CD1 3.69Å; K194-L207 HydrophobicContact CD-CD1 4.4Å; K194-L207 HydrophobicContact CG-CD1 3.75Å; K194-A215 HydrophobicContact CG-CB 4.02Å |
| 195 | N | 82.6 | Confident | 76.2 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 174.5 | -82.3 | -25.7 | 0 | 0 | 0 | 111.9 | Y110 E191 W192 L193 L197 T198 H204 | Y110-N195 PolarHBondContact OH-ND2 2.98Å; E191-N195 WeakPolarHBondContact O-CB 3.2Å; E191-N195 PolarHBondContact O-N 3.03Å; W192-N195 WeakPolarHBondContact O-CB 3.34Å; W192-N195 PolarHBondContact O-N 3.29Å; L193-N195 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 3.09Å; N195-L197 VanDerWaalsContact C-N 3.35Å; N195-L197 PolarHBondContact O-N 3Å; N195-T198 PolarHBondContact O-N 2.78Å; N195-H204 PolarHBondContact OD1-CE1 3.33Å; N195-H204 PolarHBondContact OD1-NE2 3.12Å |
| 196 | L | 83.4 | Confident | 74.6 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 59% | 0.586 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 178.4 | -77.7 | 166.4 | 0 | 0 | 0 | 113.5 | W192 L193 K194 | W192-L196 HydrophobicContact CD2-CD1 3.86Å; W192-L196 VanDerWaalsContact CE2-CD1 3.44Å; W192-L196 HydrophobicContact CE3-CD1 4.24Å; W192-L196 HydrophobicContact CG-CD1 4.47Å; W192-L196 HydrophobicContact CH2-CD1 3.91Å; W192-L196 HydrophobicContact CZ2-CD1 3.49Å; W192-L196 VanDerWaalsContact CZ2-CD1 3.49Å; W192-L196 HydrophobicContact CZ3-CD1 4.27Å; W192-L196 PolarHBondContact O-N 3.49Å; L193-L196 PolarHBondContact O-N 3.26Å; K194-L196 PolarHBondContact O-N 3.46Å |
| 197 | L | 79.8 | Confident | 73.5 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -85 | -10.7 | -178.5 | -65.8 | 168.3 | 0 | 0 | 0 | 113 | L193 K194 N195 P199 L207 F214 A215 | L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 WeakPolarHBondContact O-CD1 3.39Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.03Å; K194-L197 PolarHBondContact O-N 3.41Å; N195-L197 VanDerWaalsContact C-N 3.35Å; N195-L197 PolarHBondContact O-N 3Å; L197-P199 WeakPolarHBondContact O-CD 3.37Å; L197-L207 HydrophobicContact CB-CD2 4.03Å; L197-L207 WeakPolarHBondContact O-CD2 3.29Å; L197-F214 HydrophobicContact CD1-CD1 3.95Å; L197-A215 HydrophobicContact CD1-CB 4.15Å |
| 198 | T | 74.4 | Confident | 72.7 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 16% | 0.16 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -81.1 | 116.6 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 108.9 | K194 N195 K202 L207 | K194-T198 WeakPolarHBondContact O-CB 3.21Å; K194-T198 PolarHBondContact O-N 3.11Å; K194-T198 PolarHBondContact O-OG1 2.96Å; N195-T198 PolarHBondContact O-N 2.78Å; T198-K202 HydrophobicContact CG2-CB 4.27Å; T198-K202 WeakPolarHBondContact CG2-O 3.44Å; T198-L207 WeakPolarHBondContact OG1-CD1 3.4Å; T198-L207 WeakPolarHBondContact OG1-CG 3.49Å |
| 199 | P | 69.8 | Low | 71.7 | Confident | 77 Ų | 77 | 66 Ų | 66 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 147.3 | 177 | -20 | 33 | 0 | 0 | 0 | 111.5 | L197 G201 K202 | L197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-G201 PolarHBondContact O-N 3.07Å; P199-K202 PolarHBondContact O-N 2.89Å; P199-K202 VanDerWaalsContact O-N 3.14Å |
| 200 | A | 55.3 | Low | 70.9 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 92% | 0.917 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 124 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 201 | G | 54.8 | Low | 70.4 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 93% | 0.928 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | 3.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P199 | P199-G201 PolarHBondContact O-N 3.07Š|
| 202 | K | 59.2 | Low | 70.1 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | trans | -112.1 | 150.9 | 175 | -68.5 | -166.9 | 177.5 | -176.6 | 0 | 112.4 | T198 P199 E206 | T198-K202 HydrophobicContact CG2-CB 4.27Å; T198-K202 WeakPolarHBondContact CG2-O 3.44Å; P199-K202 PolarHBondContact O-N 2.89Å; P199-K202 VanDerWaalsContact O-N 3.14Å; K202-E206 WeakPolarHBondContact CA-OE2 3.27Å; K202-E206 HydrophobicContact CB-CB 4.41Å; K202-E206 WeakPolarHBondContact CB-OE2 3.33Å; K202-E206 WeakPolarHBondContact CG-OE2 3.45Å | ||
| 203 | S | 57.7 | Low | 69.6 | Low | 67 Ų | 67 | 65 Ų | 65 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | trans | -83 | 156.3 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | N205 E206 | S203-N205 PolarHBondContact O-N 3.03Å; S203-E206 PolarHBondContact N-OE2 3.05Å; S203-E206 WeakPolarHBondContact O-CB 3.45Å; S203-E206 PolarHBondContact O-N 2.67Å | ||
| 204 | H | 57.3 | Low | 69.4 | Low | 68 Ų | 68 | 69 Ų | 69 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -51.7 | -28 | 173.1 | -75.8 | -88.7 | 0 | 0 | 0 | 114 | N195 E206 | N195-H204 PolarHBondContact OD1-CE1 3.33Å; N195-H204 PolarHBondContact OD1-NE2 3.12Å; H204-E206 PolarHBondContact O-N 2.7Å |
| 205 | N | 55.6 | Low | 69.5 | Low | 154 Ų | 154 | 68 Ų | 68 | 82% | 0.824 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -76.8 | -8.6 | 179.2 | -70.9 | -16 | 0 | 0 | 0 | 113.3 | S203 | S203-N205 PolarHBondContact O-N 3.03Š|
| 206 | E | 58 | Low | 69.5 | Low | 123 Ų | 123 | 65.6 Ų | 65.6 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -103 | 4.6 | 179.6 | -57 | -174.5 | 140.4 | 0 | 0 | 112.9 | K202 S203 H204 | K202-E206 WeakPolarHBondContact CA-OE2 3.27Å; K202-E206 HydrophobicContact CB-CB 4.41Å; K202-E206 WeakPolarHBondContact CB-OE2 3.33Å; K202-E206 WeakPolarHBondContact CG-OE2 3.45Å; S203-E206 PolarHBondContact N-OE2 3.05Å; S203-E206 WeakPolarHBondContact O-CB 3.45Å; S203-E206 PolarHBondContact O-N 2.67Å; H204-E206 PolarHBondContact O-N 2.7Å |
| 207 | L | 66 | Low | 69.4 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -61.6 | 136.8 | 173.6 | -83.8 | 166.1 | 0 | 0 | 0 | 110.6 | K194 L197 T198 V212 | K194-L207 HydrophobicContact CB-CD1 3.69Å; K194-L207 HydrophobicContact CD-CD1 4.4Å; K194-L207 HydrophobicContact CG-CD1 3.75Å; L197-L207 HydrophobicContact CB-CD2 4.03Å; L197-L207 WeakPolarHBondContact O-CD2 3.29Å; T198-L207 WeakPolarHBondContact OG1-CD1 3.4Å; T198-L207 WeakPolarHBondContact OG1-CG 3.49Å; L207-V212 HydrophobicContact CB-CG2 3.8Å |
| 208 | S | 69.6 | Low | 69.6 | Low | 58 Ų | 58 | 60.7 Ų | 60.7 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | trans | -63.4 | 141 | 172.7 | 88.4 | 0 | 0 | 0 | 0 | 109.6 | P210 S211 V212 | S208-P210 VanDerWaalsContact C-CD 3.5Å; S208-P210 VanDerWaalsContact C-N 3.32Å; S208-S211 CarbonylContact O-C 3.59Å; S208-S211 WeakPolarHBondContact O-CA 3.46Å; S208-S211 WeakPolarHBondContact O-CB 3.11Å; S208-S211 PolarHBondContact O-N 3.37Å; S208-S211 PolarHBondContact OG-N 2.83Å; S208-S211 PolarHBondContact OG-OG 3.25Å; S208-V212 PolarHBondContact O-N 3.49Å | ||
| 209 | I | 69.1 | Low | 70.2 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -34.9 | -177.8 | -54.3 | 162.9 | 0 | 0 | 0 | 112.5 | I8 N13 S211 V212 L213 F287 | I8-I209 HydrophobicContact CB-CD1 4.36Å; I8-I209 HydrophobicContact CD1-CD1 3.69Å; I8-I209 HydrophobicContact CD1-CG1 4.37Å; I8-I209 HydrophobicContact CG2-CD1 4.22Å; N13-I209 HydrophobicContact CB-CD1 4.24Å; N13-I209 WeakPolarHBondContact OD1-CD1 3.16Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.41Å; I209-V212 PolarHBondContact O-N 3.49Å; I209-V212 VanDerWaalsContact O-N 3.15Å; I209-L213 HydrophobicContact CG2-CD1 4.12Å; I209-L213 HydrophobicContact CG2-CG 4.13Å; I209-L213 WeakPolarHBondContact O-CB 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.29Å; I209-F287 HydrophobicContact CB-CE1 3.78Å; I209-F287 HydrophobicContact CB-CE2 4.34Å; I209-F287 HydrophobicContact CB-CZ 3.49Å; I209-F287 VanDerWaalsContact CB-CZ 3.49Å; I209-F287 HydrophobicContact CD1-CE1 4.49Å; I209-F287 HydrophobicContact CD1-CE2 4.35Å; I209-F287 HydrophobicContact CD1-CZ 3.59Å; I209-F287 HydrophobicContact CG1-CZ 4.14Å; I209-F287 HydrophobicContact CG2-CD1 4.33Å; I209-F287 HydrophobicContact CG2-CD2 4.25Å; I209-F287 HydrophobicContact CG2-CE1 3.54Å; I209-F287 HydrophobicContact CG2-CE2 3.45Å; I209-F287 VanDerWaalsContact CG2-CE2 3.45Å; I209-F287 HydrophobicContact CG2-CZ 3.06Å |
| 210 | P | 71.6 | Confident | 70.8 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.9 | -40.1 | 167.1 | -27.5 | 36.6 | 0 | 0 | 0 | 113.1 | S208 F214 | S208-P210 VanDerWaalsContact C-CD 3.5Å; S208-P210 VanDerWaalsContact C-N 3.32Å; P210-F214 VanDerWaalsContact O-CB 3.24Å; P210-F214 WeakPolarHBondContact O-CB 3.4Å; P210-F214 PolarHBondContact O-N 2.89Å |
| 211 | S | 76.2 | Confident | 72.2 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | S208 I209 F214 A215 | S208-S211 CarbonylContact O-C 3.59Å; S208-S211 WeakPolarHBondContact O-CA 3.46Å; S208-S211 WeakPolarHBondContact O-CB 3.11Å; S208-S211 PolarHBondContact O-N 3.37Å; S208-S211 PolarHBondContact OG-N 2.83Å; S208-S211 PolarHBondContact OG-OG 3.25Å; I209-S211 VanDerWaalsContact C-N 3.27Å; I209-S211 PolarHBondContact O-N 3.41Å; S211-F214 PolarHBondContact O-N 3.04Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 2.76Å |
| 212 | V | 77.6 | Confident | 73.8 | Confident | 37 Ų | 37 | 53 Ų | 53 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | Y190 L207 S208 I209 F214 A215 G216 | Y190-V212 HydrophobicContact CE2-CG1 4.4Å; Y190-V212 WeakPolarHBondContact OH-CG1 3.45Å; L207-V212 HydrophobicContact CB-CG2 3.8Å; S208-V212 PolarHBondContact O-N 3.49Å; I209-V212 PolarHBondContact O-N 3.49Å; I209-V212 VanDerWaalsContact O-N 3.15Å; V212-F214 VanDerWaalsContact C-N 3.34Å; V212-A215 PolarHBondContact O-N 3.02Å; V212-G216 PolarHBondContact O-N 3.4Å |
| 213 | L | 76.6 | Confident | 75.1 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 176 | -70.4 | 172.6 | 0 | 0 | 0 | 110.8 | I209 G216 G217 F284 F287 | I209-L213 HydrophobicContact CG2-CD1 4.12Å; I209-L213 HydrophobicContact CG2-CG 4.13Å; I209-L213 WeakPolarHBondContact O-CB 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.3Å; I209-L213 PolarHBondContact O-N 3.29Å; L213-G216 PolarHBondContact O-N 2.89Å; L213-G217 PolarHBondContact O-N 3.5Å; L213-F284 HydrophobicContact CB-CD1 3.64Å; L213-F284 HydrophobicContact CB-CE1 3.08Å; L213-F284 HydrophobicContact CB-CZ 3.69Å; L213-F284 HydrophobicContact CD1-CD1 4.01Å; L213-F284 HydrophobicContact CD1-CE1 4.32Å; L213-F284 HydrophobicContact CG-CD1 4.5Å; L213-F284 HydrophobicContact CG-CE1 4.32Å; L213-F284 VanDerWaalsContact O-CZ 3.27Å; L213-F284 WeakPolarHBondContact O-CZ 3.36Å; L213-F287 HydrophobicContact CD1-CB 3.75Å; L213-F287 HydrophobicContact CD1-CD1 3.57Å; L213-F287 HydrophobicContact CD1-CD2 3.94Å; L213-F287 HydrophobicContact CD1-CE1 4.22Å; L213-F287 HydrophobicContact CD1-CG 3.43Å; L213-F287 VanDerWaalsContact CD1-CG 3.43Å |
| 214 | F | 81.4 | Confident | 76.3 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 45% | 0.452 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | -178.6 | -97.4 | 0 | 0 | 0 | 111.5 | L197 P210 S211 V212 G216 G217 M218 F284 | L197-F214 HydrophobicContact CD1-CD1 3.95Å; P210-F214 VanDerWaalsContact O-CB 3.24Å; P210-F214 WeakPolarHBondContact O-CB 3.4Å; P210-F214 PolarHBondContact O-N 2.89Å; S211-F214 PolarHBondContact O-N 3.04Å; V212-F214 VanDerWaalsContact C-N 3.34Å; F214-G216 VanDerWaalsContact C-N 3.28Å; F214-G216 PolarHBondContact O-N 3.49Å; F214-G217 PolarHBondContact O-N 3.45Å; F214-M218 HydrophobicContact CD1-CG 4.24Å; F214-M218 HydrophobicContact CD2-CG 4.46Å; F214-M218 HydrophobicContact CE1-CG 3.81Å; F214-M218 HydrophobicContact CE2-CG 4.05Å; F214-M218 HydrophobicContact CE2-SD 4.38Å; F214-M218 HydrophobicContact CZ-CG 3.71Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.35Å; F214-M218 WeakPolarHBondContact O-CG 3.2Å; F214-M218 PolarHBondContact O-N 2.91Å; F214-F284 HydrophobicContact CB-CE1 4.25Å; F214-F284 HydrophobicContact CB-CZ 4.22Å; F214-F284 VanDerWaalsContact N-CE1 3.27Å; F214-F284 VanDerWaalsContact N-CZ 3.29Å |
| 215 | A | 84.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y190 L193 K194 L197 S211 V212 A219 | Y190-A215 HydrophobicContact CD2-CB 4.05Å; Y190-A215 HydrophobicContact CE2-CB 4.17Å; L193-A215 HydrophobicContact CB-CB 3.85Å; K194-A215 HydrophobicContact CG-CB 4.02Å; L197-A215 HydrophobicContact CD1-CB 4.15Å; S211-A215 WeakPolarHBondContact O-CB 3.44Å; S211-A215 PolarHBondContact O-N 2.76Å; V212-A215 PolarHBondContact O-N 3.02Å; A215-A219 WeakPolarHBondContact O-CB 3.4Å; A215-A219 PolarHBondContact O-N 3.46Å |
| 216 | G | 82.2 | Confident | 79.2 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V212 L213 F214 A219 G220 | V212-G216 PolarHBondContact O-N 3.4Å; L213-G216 PolarHBondContact O-N 2.89Å; F214-G216 VanDerWaalsContact C-N 3.28Å; F214-G216 PolarHBondContact O-N 3.49Å; G216-A219 PolarHBondContact O-N 3.23Å; G216-G220 PolarHBondContact O-N 2.87Å |
| 217 | G | 81.3 | Confident | 80.4 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L213 F214 G220 I221 | L213-G217 PolarHBondContact O-N 3.5Å; F214-G217 PolarHBondContact O-N 3.45Å; G217-G220 PolarHBondContact O-N 3.02Å; G217-I221 PolarHBondContact O-N 3.38Å |
| 218 | M | 84.8 | Confident | 81.2 | Confident | 59 Ų | 59 | 36.6 Ų | 36.6 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 175.6 | -69.7 | -59.8 | -63.2 | 0 | 0 | 111.9 | L193 F214 G220 I221 F222 | L193-M218 HydrophobicContact CD1-CB 3.44Å; L193-M218 VanDerWaalsContact CD1-CB 3.44Å; F214-M218 HydrophobicContact CD1-CG 4.24Å; F214-M218 HydrophobicContact CD2-CG 4.46Å; F214-M218 HydrophobicContact CE1-CG 3.81Å; F214-M218 HydrophobicContact CE2-CG 4.05Å; F214-M218 HydrophobicContact CE2-SD 4.38Å; F214-M218 HydrophobicContact CZ-CG 3.71Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.35Å; F214-M218 WeakPolarHBondContact O-CG 3.2Å; F214-M218 PolarHBondContact O-N 2.91Å; M218-G220 PolarHBondContact O-N 3.26Å; M218-I221 HydrophobicContact CE-CD1 4.44Å; M218-I221 WeakPolarHBondContact O-CA 3.26Å; M218-I221 WeakPolarHBondContact O-CB 3.32Å; M218-I221 PolarHBondContact O-N 3.2Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; M218-F222 WeakPolarHBondContact O-CD2 3.14Å; M218-F222 PolarHBondContact O-N 3.44Å; M218-F222 VanDerWaalsContact O-N 3.13Å |
| 219 | A | 85.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -34.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y186 S189 Y190 A215 G216 I221 F222 N223 | Y186-A219 HydrophobicContact CD2-CB 3.86Å; Y186-A219 HydrophobicContact CE2-CB 3.85Å; Y186-A219 HydrophobicContact CG-CB 4.43Å; S189-A219 WeakPolarHBondContact OG-CA 3.17Å; S189-A219 WeakPolarHBondContact OG-CB 3.47Å; Y190-A219 HydrophobicContact CD2-CB 4.48Å; A215-A219 WeakPolarHBondContact O-CB 3.4Å; A215-A219 PolarHBondContact O-N 3.46Å; G216-A219 PolarHBondContact O-N 3.23Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.26Å; A219-F222 PolarHBondContact O-N 3.33Å; A219-N223 WeakPolarHBondContact O-CB 3.36Å; A219-N223 PolarHBondContact O-N 3.08Å |
| 220 | G | 83.4 | Confident | 82.4 | Confident | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | G216 G217 M218 N223 W224 | G216-G220 PolarHBondContact O-N 2.87Å; G217-G220 PolarHBondContact O-N 3.02Å; M218-G220 PolarHBondContact O-N 3.26Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.01Å; G220-W224 PolarHBondContact O-N 3.22Å |
| 221 | I | 83.7 | Confident | 82.7 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 27% | 0.272 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 176 | -64.9 | 173.9 | 0 | 0 | 0 | 110.6 | G217 M218 A219 N223 W224 A225 M273 | G217-I221 PolarHBondContact O-N 3.38Å; M218-I221 HydrophobicContact CE-CD1 4.44Å; M218-I221 WeakPolarHBondContact O-CA 3.26Å; M218-I221 WeakPolarHBondContact O-CB 3.32Å; M218-I221 PolarHBondContact O-N 3.2Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; A219-I221 VanDerWaalsContact C-N 3.33Å; A219-I221 PolarHBondContact O-N 3.26Å; I221-N223 VanDerWaalsContact C-N 3.35Å; I221-N223 PolarHBondContact O-N 3.07Å; I221-W224 PolarHBondContact O-N 3.46Å; I221-A225 PolarHBondContact O-N 3.43Å; I221-M273 HydrophobicContact CB-SD 4.17Å; I221-M273 HydrophobicContact CD1-SD 4.4Å; I221-M273 HydrophobicContact CG1-SD 3.86Å; I221-M273 HydrophobicContact CG2-CE 4.22Å; I221-M273 HydrophobicContact CG2-SD 3.63Å |
| 222 | F | 87.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63 | -39.9 | 176.4 | -72.6 | -71.8 | 0 | 0 | 0 | 112.6 | M185 W192 L193 M218 A219 A225 V226 | M185-F222 HydrophobicContact CE-CB 4.11Å; M185-F222 HydrophobicContact CE-CD1 4.34Å; M185-F222 HydrophobicContact CE-CG 4.35Å; M185-F222 HydrophobicContact CG-CB 4.01Å; W192-F222 HydrophobicContact CZ3-CE2 4.33Å; W192-F222 HydrophobicContact CZ3-CZ 4.15Å; L193-F222 HydrophobicContact CD1-CE2 4.29Å; M218-F222 WeakPolarHBondContact O-CD2 3.14Å; M218-F222 PolarHBondContact O-N 3.44Å; M218-F222 VanDerWaalsContact O-N 3.13Å; A219-F222 PolarHBondContact O-N 3.33Å; F222-A225 WeakPolarHBondContact O-CB 3.44Å; F222-A225 PolarHBondContact O-N 2.71Å; F222-V226 PolarHBondContact O-N 2.95Å |
| 223 | N | 87.9 | Confident | 82.7 | Confident | 30 Ų | 30 | 33.8 Ų | 33.8 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -50.1 | 172.8 | 171.7 | -79.7 | 0 | 0 | 0 | 111.3 | A182 Y186 A219 G220 I221 A225 V226 A227 | A182-N223 WeakPolarHBondContact CB-ND2 3.33Å; A182-N223 PolarHBondContact O-ND2 3.15Å; Y186-N223 HydrophobicContact CD2-CB 4.1Å; A219-N223 WeakPolarHBondContact O-CB 3.36Å; A219-N223 PolarHBondContact O-N 3.08Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.01Å; I221-N223 VanDerWaalsContact C-N 3.35Å; I221-N223 PolarHBondContact O-N 3.07Å; N223-A225 VanDerWaalsContact C-N 3.34Å; N223-A225 PolarHBondContact O-N 2.77Å; N223-V226 PolarHBondContact O-N 3.02Å; N223-A227 WeakPolarHBondContact O-CB 3.21Å; N223-A227 PolarHBondContact O-N 3.21Å |
| 224 | W | 83.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 28% | 0.284 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.3 | -34.4 | 178.9 | -81.7 | 106.6 | 0 | 0 | 0 | 112.7 | G220 I221 V226 A227 I228 V272 M273 | G220-W224 PolarHBondContact O-N 3.22Å; I221-W224 PolarHBondContact O-N 3.46Å; W224-V226 PolarHBondContact O-N 2.87Å; W224-A227 HydrophobicContact CE3-CB 4.29Å; W224-A227 PolarHBondContact O-N 3.04Å; W224-I228 HydrophobicContact CB-CD1 4.36Å; W224-I228 HydrophobicContact CE3-CG1 4.2Å; W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CD1 3.27Å; W224-I228 WeakPolarHBondContact O-CD1 3.2Å; W224-I228 WeakPolarHBondContact O-CG1 3.49Å; W224-I228 PolarHBondContact O-N 3.27Å; W224-V272 HydrophobicContact CB-CG1 4.03Å; W224-V272 HydrophobicContact CD2-CG1 3.54Å; W224-V272 HydrophobicContact CE3-CG1 3.87Å; W224-V272 HydrophobicContact CE3-CG2 4.48Å; W224-V272 HydrophobicContact CG-CG1 3.59Å; W224-M273 HydrophobicContact CB-CE 3.82Å |
| 225 | A | 85.6 | Confident | 82.1 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -37.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I221 F222 N223 P229 Y266 F269 | I221-A225 PolarHBondContact O-N 3.43Å; F222-A225 WeakPolarHBondContact O-CB 3.44Å; F222-A225 PolarHBondContact O-N 2.71Å; N223-A225 VanDerWaalsContact C-N 3.34Å; N223-A225 PolarHBondContact O-N 2.77Å; A225-P229 WeakPolarHBondContact O-CD 3.14Å; A225-Y266 WeakPolarHBondContact O-CE1 3.48Å; A225-F269 HydrophobicContact CB-CE2 4.32Å |
| 226 | V | 86.4 | Confident | 81.5 | Confident | 52 Ų | 52 | 35.8 Ų | 35.8 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -83 | -33 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | P181 M185 F222 N223 W224 P230 | P181-V226 HydrophobicContact CB-CG1 3.8Å; M185-V226 HydrophobicContact CB-CB 4.35Å; M185-V226 HydrophobicContact CB-CG2 3.95Å; M185-V226 HydrophobicContact CG-CB 4.47Å; M185-V226 HydrophobicContact CG-CG2 3.67Å; M185-V226 HydrophobicContact SD-CG2 4.15Å; F222-V226 PolarHBondContact O-N 2.95Å; N223-V226 PolarHBondContact O-N 3.02Å; W224-V226 PolarHBondContact O-N 2.87Å; V226-P230 VanDerWaalsContact O-CD 3.24Å; V226-P230 WeakPolarHBondContact O-CD 3.43Å |
| 227 | A | 83.6 | Confident | 81 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.9 | -27.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R178 A182 N223 W224 P230 D231 | R178-A227 HydrophobicContact CG-CB 3.99Å; A182-A227 HydrophobicContact CB-CB 3.87Å; N223-A227 WeakPolarHBondContact O-CB 3.21Å; N223-A227 PolarHBondContact O-N 3.21Å; W224-A227 HydrophobicContact CE3-CB 4.29Å; W224-A227 PolarHBondContact O-N 3.04Å; A227-P230 VanDerWaalsContact O-CD 3.27Å; A227-P230 WeakPolarHBondContact O-CD 3.21Å; A227-P230 VanDerWaalsContact O-CG 3.29Å; A227-P230 WeakPolarHBondContact O-CG 3.25Å; A227-D231 VanDerWaalsContact O-CB 3.3Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.76Å |
| 228 | I | 82.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -48 | -172.4 | -78.5 | 162.2 | 0 | 0 | 0 | 113.1 | W224 D231 V232 L265 Y266 F269 V272 | W224-I228 HydrophobicContact CB-CD1 4.36Å; W224-I228 HydrophobicContact CE3-CG1 4.2Å; W224-I228 WeakPolarHBondContact O-CB 3.42Å; W224-I228 VanDerWaalsContact O-CD1 3.27Å; W224-I228 WeakPolarHBondContact O-CD1 3.2Å; W224-I228 WeakPolarHBondContact O-CG1 3.49Å; W224-I228 PolarHBondContact O-N 3.27Å; I228-D231 WeakPolarHBondContact O-CB 3.39Å; I228-D231 PolarHBondContact O-N 2.89Å; I228-D231 VanDerWaalsContact O-N 3.12Å; I228-V232 HydrophobicContact CG2-CG2 4.3Å; I228-V232 WeakPolarHBondContact O-CG2 3.01Å; I228-V232 PolarHBondContact O-N 2.91Å; I228-L265 VanDerWaalsContact CG2-O 3.31Å; I228-L265 WeakPolarHBondContact CG2-O 3.35Å; I228-Y266 HydrophobicContact CG2-CD1 4.22Å; I228-F269 HydrophobicContact CD1-CB 4.03Å; I228-F269 HydrophobicContact CD1-CD2 3.47Å; I228-F269 VanDerWaalsContact CD1-CD2 3.47Å; I228-F269 HydrophobicContact CD1-CE2 4.34Å; I228-F269 HydrophobicContact CD1-CG 4.17Å; I228-V272 HydrophobicContact CD1-CG2 4.46Å |
| 229 | P | 83 | Confident | 79.2 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -51.1 | 177.7 | -25 | 33.6 | 0 | 0 | 0 | 114.4 | A225 D231 V232 L233 L265 Y266 | A225-P229 WeakPolarHBondContact O-CD 3.14Å; P229-D231 VanDerWaalsContact C-N 3.29Å; P229-D231 PolarHBondContact O-N 3.42Å; P229-V232 PolarHBondContact O-N 2.95Å; P229-L233 WeakPolarHBondContact O-CG 3.36Å; P229-L233 PolarHBondContact O-N 3.37Å; P229-L265 WeakPolarHBondContact CA-O 3.44Å; P229-L265 HydrophobicContact CB-CB 4.18Å; P229-L265 HydrophobicContact CB-CD2 4.44Å; P229-L265 HydrophobicContact CG-CB 4.49Å; P229-Y266 HydrophobicContact CG-CE1 4Å; P229-Y266 HydrophobicContact CG-CE2 4.16Å |
| 230 | P | 81.7 | Confident | 78.4 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -29.7 | 175.4 | 21.8 | -28.9 | 0 | 0 | 0 | 113.2 | R178 V226 A227 L233 K234 | R178-P230 HydrophobicContact CB-CB 4.24Å; R178-P230 HydrophobicContact CB-CG 4.24Å; R178-P230 HydrophobicContact CG-CG 4.15Å; V226-P230 VanDerWaalsContact O-CD 3.24Å; V226-P230 WeakPolarHBondContact O-CD 3.43Å; A227-P230 VanDerWaalsContact O-CD 3.27Å; A227-P230 WeakPolarHBondContact O-CD 3.21Å; A227-P230 VanDerWaalsContact O-CG 3.29Å; A227-P230 WeakPolarHBondContact O-CG 3.25Å; P230-L233 PolarHBondContact O-N 2.86Å; P230-K234 VanDerWaalsContact O-CB 3.24Å; P230-K234 WeakPolarHBondContact O-CB 3.35Å; P230-K234 PolarHBondContact O-N 2.95Å |
| 231 | D | 77.1 | Confident | 77.8 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.9 | -158.4 | 61.6 | 0 | 0 | 0 | 111.8 | R178 A227 I228 P229 K234 S235 | R178-D231 IonicContact NH1-OD1 2.71Å; R178-D231 PolarHBondContact NH1-OD1 3.48Å; A227-D231 VanDerWaalsContact O-CB 3.3Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.76Å; I228-D231 WeakPolarHBondContact O-CB 3.39Å; I228-D231 PolarHBondContact O-N 2.89Å; I228-D231 VanDerWaalsContact O-N 3.12Å; P229-D231 VanDerWaalsContact C-N 3.29Å; P229-D231 PolarHBondContact O-N 3.42Å; D231-K234 PolarHBondContact O-N 2.86Å; D231-S235 WeakPolarHBondContact O-CB 3.4Å; D231-S235 PolarHBondContact O-N 3.34Å |
| 232 | V | 76.6 | Confident | 77.1 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I228 P229 K234 S235 R236 L256 L265 | I228-V232 HydrophobicContact CG2-CG2 4.3Å; I228-V232 WeakPolarHBondContact O-CG2 3.01Å; I228-V232 PolarHBondContact O-N 2.91Å; P229-V232 PolarHBondContact O-N 2.95Å; V232-K234 PolarHBondContact O-N 3.24Å; V232-S235 PolarHBondContact O-N 3.33Å; V232-R236 HydrophobicContact CG1-CG 4.46Å; V232-R236 WeakPolarHBondContact O-CG 3.3Å; V232-R236 PolarHBondContact O-N 3.03Å; V232-L256 HydrophobicContact CG1-CD1 4.37Å; V232-L256 HydrophobicContact CG1-CD2 4.02Å; V232-L265 WeakPolarHBondContact CG2-O 3.24Å |
| 233 | L | 77.9 | Confident | 76.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.9 | -69.5 | 174.8 | 0 | 0 | 0 | 111.8 | P229 P230 F237 F249 V252 L253 L265 | P229-L233 WeakPolarHBondContact O-CG 3.36Å; P229-L233 PolarHBondContact O-N 3.37Å; P230-L233 PolarHBondContact O-N 2.86Å; L233-F237 VanDerWaalsContact O-CB 3.3Å; L233-F237 WeakPolarHBondContact O-CB 3.22Å; L233-F237 PolarHBondContact O-N 2.87Å; L233-F249 HydrophobicContact CB-CD1 3.94Å; L233-F249 HydrophobicContact CB-CE1 4.3Å; L233-V252 HydrophobicContact CD2-CB 4.29Å; L233-V252 HydrophobicContact CD2-CG1 3.87Å; L233-L253 HydrophobicContact CD1-CD1 4.31Å; L233-L253 HydrophobicContact CD2-CB 3.88Å; L233-L253 HydrophobicContact CD2-CD1 4.08Å; L233-L265 HydrophobicContact CD2-CD2 4.06Å; L233-L265 HydrophobicContact CG-CD2 4.1Å |
| 234 | K | 76.3 | Confident | 75.6 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.2 | -179.9 | -179.5 | 174 | -179.2 | 0 | 111.5 | E132 L174 T175 P230 D231 V232 F237 Q238 | E132-K234 IonicContact OE2-NZ 2.67Å; L174-K234 HydrophobicContact CB-CD 4.33Å; T175-K234 PolarHBondContact OG1-NZ 3.38Å; P230-K234 VanDerWaalsContact O-CB 3.24Å; P230-K234 WeakPolarHBondContact O-CB 3.35Å; P230-K234 PolarHBondContact O-N 2.95Å; D231-K234 PolarHBondContact O-N 2.86Å; V232-K234 PolarHBondContact O-N 3.24Å; K234-F237 PolarHBondContact O-N 3.27Å; K234-Q238 HydrophobicContact CG-CG 4.45Å; K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.35Å |
| 235 | S | 69.9 | Low | 75.4 | Confident | 64 Ų | 64 | 58 Ų | 58 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 179.7 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | D231 V232 F237 Q238 T239 | D231-S235 WeakPolarHBondContact O-CB 3.4Å; D231-S235 PolarHBondContact O-N 3.34Å; V232-S235 PolarHBondContact O-N 3.33Å; S235-F237 PolarHBondContact O-N 2.89Å; S235-Q238 PolarHBondContact O-N 3.48Å; S235-T239 WeakPolarHBondContact O-CG2 3.13Å; S235-T239 PolarHBondContact O-N 2.96Å; S235-T239 PolarHBondContact O-OG1 3.44Å; S235-T239 VanDerWaalsContact O-OG1 3.04Å |
| 236 | R | 71 | Confident | 74.7 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 178.7 | -70.3 | -68.4 | -168.8 | 156.5 | 12.2 | 112.4 | V232 Q238 T239 A240 V252 L256 E260 | V232-R236 HydrophobicContact CG1-CG 4.46Å; V232-R236 WeakPolarHBondContact O-CG 3.3Å; V232-R236 PolarHBondContact O-N 3.03Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.13Å; R236-T239 PolarHBondContact O-N 3.27Å; R236-T239 PolarHBondContact O-OG1 3.48Å; R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 2.95Å; R236-V252 HydrophobicContact CB-CG1 3.62Å; R236-L256 HydrophobicContact CG-CD1 3.76Å; R236-E260 IonicContact CZ-OE1 3.25Å; R236-E260 IonicContact NH1-OE1 3.47Å; R236-E260 VanDerWaalsContact NH2-CD 3.25Å; R236-E260 IonicContact NH2-OE1 2.86Å; R236-E260 PolarHBondContact NH2-OE1 2.84Å; R236-E260 IonicContact NH2-OE2 2.93Å; R236-E260 PolarHBondContact NH2-OE2 3.31Å |
| 237 | F | 72.6 | Confident | 74.1 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.5 | -174.2 | -102.1 | 0 | 0 | 0 | 112 | L233 K234 S235 A240 Y245 F249 V252 | L233-F237 VanDerWaalsContact O-CB 3.3Å; L233-F237 WeakPolarHBondContact O-CB 3.22Å; L233-F237 PolarHBondContact O-N 2.87Å; K234-F237 PolarHBondContact O-N 3.27Å; S235-F237 PolarHBondContact O-N 2.89Å; F237-A240 PolarHBondContact O-N 3.13Å; F237-Y245 HydrophobicContact CD2-CD2 4.1Å; F237-Y245 HydrophobicContact CD2-CG 4.41Å; F237-F249 HydrophobicContact CB-CD1 4.42Å; F237-F249 HydrophobicContact CB-CE1 4.06Å; F237-F249 HydrophobicContact CG-CE1 4.37Å; F237-V252 HydrophobicContact CB-CG2 4.05Å; F237-V252 HydrophobicContact CD2-CG2 3.85Å; F237-V252 HydrophobicContact CG-CG2 4.46Å |
| 238 | Q | 64 | Low | 73.8 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.3 | -27.7 | -179 | -72.9 | -178.5 | -17 | 0 | 0 | 113.7 | K234 S235 R236 | K234-Q238 HydrophobicContact CG-CG 4.45Å; K234-Q238 WeakPolarHBondContact O-CB 3.43Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.35Å; S235-Q238 PolarHBondContact O-N 3.48Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.13Å |
| 239 | T | 63.5 | Low | 73.6 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -86.4 | -9.8 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | S235 R236 | S235-T239 WeakPolarHBondContact O-CG2 3.13Å; S235-T239 PolarHBondContact O-N 2.96Å; S235-T239 PolarHBondContact O-OG1 3.44Å; S235-T239 VanDerWaalsContact O-OG1 3.04Å; R236-T239 PolarHBondContact O-N 3.27Å; R236-T239 PolarHBondContact O-OG1 3.48Å |
| 240 | A | 68.8 | Low | 73.6 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 21% | 0.207 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -77.9 | 149.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R236 F237 K244 Y245 | R236-A240 WeakPolarHBondContact O-CB 3.37Å; R236-A240 PolarHBondContact O-N 2.95Å; F237-A240 PolarHBondContact O-N 3.13Å; A240-K244 HydrophobicContact CB-CB 4.4Å; A240-K244 HydrophobicContact CB-CD 4.33Å; A240-Y245 HydrophobicContact CB-CD2 3.52Å; A240-Y245 HydrophobicContact CB-CE2 3.31Å |
| 241 | P | 71.6 | Confident | 73.6 | Confident | 92 Ų | 92 | 75.5 Ų | 75.5 | 60% | 0.597 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 144.1 | 171.6 | -22.7 | 32.7 | 0 | 0 | 0 | 111.7 | G243 K244 | P241-G243 PolarHBondContact O-N 3.16Å; P241-K244 VanDerWaalsContact O-CB 3.32Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 PolarHBondContact O-N 3.33Å |
| 242 | E | 68.1 | Low | 73.8 | Confident | 204 Ų | 204 | 72.8 Ų | 72.8 | 95% | 0.953 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.5 | 176.9 | -69.7 | -166.8 | 159 | 0 | 0 | 110.4 | ||
| 243 | G | 70.1 | Confident | 74.1 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | P241 Y245 | P241-G243 PolarHBondContact O-N 3.16Å; G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 2.78Å |
| 244 | K | 75.1 | Confident | 74.4 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -62.1 | -33 | 177.7 | -173.2 | 179.3 | 175.8 | -163.2 | 0 | 113 | A240 P241 P246 E255 | A240-K244 HydrophobicContact CB-CB 4.4Å; A240-K244 HydrophobicContact CB-CD 4.33Å; P241-K244 VanDerWaalsContact O-CB 3.32Å; P241-K244 WeakPolarHBondContact O-CB 3.35Å; P241-K244 PolarHBondContact O-N 3.33Å; K244-P246 VanDerWaalsContact O-CD 3.3Å; K244-P246 WeakPolarHBondContact O-CD 3.42Å; K244-E255 WeakPolarHBondContact CE-OE2 3.49Å; K244-E255 IonicContact NZ-OE1 3.41Å; K244-E255 PolarHBondContact NZ-OE1 3.29Å; K244-E255 IonicContact NZ-OE2 2.74Å; K244-E255 PolarHBondContact NZ-OE2 2.67Å |
| 245 | Y | 77.8 | Confident | 74.7 | Confident | 28 Ų | 28 | 84 Ų | 84 | 11% | 0.11 | 43% | 0.434 | C | S | . | . | trans | -120.6 | 76.1 | -175 | -64.1 | -54.2 | 0 | 0 | 0 | 112.5 | F237 A240 G243 N247 G248 D251 V252 E255 | F237-Y245 HydrophobicContact CD2-CD2 4.1Å; F237-Y245 HydrophobicContact CD2-CG 4.41Å; A240-Y245 HydrophobicContact CB-CD2 3.52Å; A240-Y245 HydrophobicContact CB-CE2 3.31Å; G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 2.78Å; Y245-N247 VanDerWaalsContact C-N 3.31Å; Y245-N247 PolarHBondContact O-N 3.41Å; Y245-G248 PolarHBondContact O-N 2.86Å; Y245-G248 VanDerWaalsContact O-N 3.14Å; Y245-D251 HydrophobicContact CD1-CB 3.6Å; Y245-D251 HydrophobicContact CE1-CB 4.36Å; Y245-D251 HydrophobicContact CG-CB 4.43Å; Y245-V252 HydrophobicContact CD1-CG2 3.89Å; Y245-V252 HydrophobicContact CD2-CG2 3.49Å; Y245-V252 VanDerWaalsContact CD2-CG2 3.49Å; Y245-V252 HydrophobicContact CE1-CG2 4.06Å; Y245-V252 HydrophobicContact CE2-CG2 3.66Å; Y245-V252 HydrophobicContact CG-CG2 3.62Å; Y245-E255 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E255 VanDerWaalsContact CZ-OE2 3.26Å; Y245-E255 PolarHBondContact OH-OE1 3.23Å; Y245-E255 PolarHBondContact OH-OE2 3.3Å | ||
| 246 | P | 71 | Confident | 75.3 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 69% | 0.688 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -30.4 | -176.7 | 25.5 | -33.6 | 0 | 0 | 0 | 113.5 | K244 D251 | K244-P246 VanDerWaalsContact O-CD 3.3Å; K244-P246 WeakPolarHBondContact O-CD 3.42Å; P246-D251 WeakPolarHBondContact CD-OD2 3.34Å |
| 247 | N | 74.6 | Confident | 76 | Confident | 110 Ų | 110 | 79.8 Ų | 79.8 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 15.8 | 176.3 | -45.1 | -65.4 | 0 | 0 | 0 | 113.1 | Y245 D251 | Y245-N247 VanDerWaalsContact C-N 3.31Å; Y245-N247 PolarHBondContact O-N 3.41Å; N247-D251 WeakPolarHBondContact CA-OD2 3.48Å; N247-D251 WeakPolarHBondContact CB-OD1 3.2Å; N247-D251 WeakPolarHBondContact CB-OD2 3.47Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact ND2-CG 3.34Å; N247-D251 PolarHBondContact ND2-OD1 3.46Å; N247-D251 PolarHBondContact ND2-OD2 3.47Å |
| 248 | G | 77.9 | Confident | 76.6 | Confident | 19 Ų | 19 | 86.8 Ų | 86.8 | 20% | 0.196 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -136.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y245 R250 D251 V252 | Y245-G248 PolarHBondContact O-N 2.86Å; Y245-G248 VanDerWaalsContact O-N 3.14Å; G248-R250 PolarHBondContact O-N 3.06Å; G248-R250 VanDerWaalsContact O-N 3.15Å; G248-D251 PolarHBondContact O-N 3.11Å; G248-V252 PolarHBondContact O-N 3.09Å |
| 249 | F | 77.7 | Confident | 77.5 | Confident | 42 Ų | 42 | 88.4 Ų | 88.4 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61 | -24.4 | -175.5 | -69.5 | -63.9 | 0 | 0 | 0 | 115.5 | L174 M177 L233 F237 D251 V252 L253 | L174-F249 HydrophobicContact CB-CZ 4.4Å; L174-F249 HydrophobicContact CD1-CZ 4.07Å; L174-F249 HydrophobicContact CD2-CD2 4.5Å; L174-F249 HydrophobicContact CD2-CE2 3.19Å; L174-F249 HydrophobicContact CD2-CZ 3.28Å; L174-F249 HydrophobicContact CG-CE2 4.42Å; L174-F249 HydrophobicContact CG-CZ 4.1Å; M177-F249 HydrophobicContact CE-CD2 4.07Å; M177-F249 HydrophobicContact CE-CE2 4.15Å; M177-F249 HydrophobicContact SD-CD2 4.16Å; M177-F249 HydrophobicContact SD-CE2 4.16Å; L233-F249 HydrophobicContact CB-CD1 3.94Å; L233-F249 HydrophobicContact CB-CE1 4.3Å; F237-F249 HydrophobicContact CB-CD1 4.42Å; F237-F249 HydrophobicContact CB-CE1 4.06Å; F237-F249 HydrophobicContact CG-CE1 4.37Å; F249-D251 VanDerWaalsContact C-N 3.31Å; F249-V252 PolarHBondContact O-N 3.46Å; F249-L253 VanDerWaalsContact O-CB 3.24Å; F249-L253 WeakPolarHBondContact O-CB 3.29Å; F249-L253 PolarHBondContact O-N 2.66Å |
| 250 | R | 82.2 | Confident | 78 | Confident | 205 Ų | 205 | 87 Ų | 87 | 77% | 0.774 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.4 | -38.9 | -179.9 | -69.7 | -179 | 174.9 | 178 | -1.4 | 111 | G248 R254 | G248-R250 PolarHBondContact O-N 3.06Å; G248-R250 VanDerWaalsContact O-N 3.15Å; R250-R254 VanDerWaalsContact O-CB 3.27Å; R250-R254 WeakPolarHBondContact O-CB 3.3Å; R250-R254 PolarHBondContact O-N 3.27Å |
| 251 | D | 82.5 | Confident | 78.6 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 177.1 | -66.2 | -19.8 | 0 | 0 | 0 | 110.7 | Y245 P246 N247 G248 F249 L253 R254 E255 | Y245-D251 HydrophobicContact CD1-CB 3.6Å; Y245-D251 HydrophobicContact CE1-CB 4.36Å; Y245-D251 HydrophobicContact CG-CB 4.43Å; P246-D251 WeakPolarHBondContact CD-OD2 3.34Å; N247-D251 WeakPolarHBondContact CA-OD2 3.48Å; N247-D251 WeakPolarHBondContact CB-OD1 3.2Å; N247-D251 WeakPolarHBondContact CB-OD2 3.47Å; N247-D251 PolarHBondContact N-OD2 3.01Å; N247-D251 VanDerWaalsContact ND2-CG 3.34Å; N247-D251 PolarHBondContact ND2-OD1 3.46Å; N247-D251 PolarHBondContact ND2-OD2 3.47Å; G248-D251 PolarHBondContact O-N 3.11Å; F249-D251 VanDerWaalsContact C-N 3.31Å; D251-L253 PolarHBondContact O-N 3.44Å; D251-R254 PolarHBondContact O-N 2.89Å; D251-E255 WeakPolarHBondContact O-CB 3.35Å; D251-E255 PolarHBondContact O-N 2.91Å |
| 252 | V | 79.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 89 Ų | 89 | 1% | 0.006 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | L233 R236 F237 Y245 G248 F249 R254 E255 L256 | L233-V252 HydrophobicContact CD2-CB 4.29Å; L233-V252 HydrophobicContact CD2-CG1 3.87Å; R236-V252 HydrophobicContact CB-CG1 3.62Å; F237-V252 HydrophobicContact CB-CG2 4.05Å; F237-V252 HydrophobicContact CD2-CG2 3.85Å; F237-V252 HydrophobicContact CG-CG2 4.46Å; Y245-V252 HydrophobicContact CD1-CG2 3.89Å; Y245-V252 HydrophobicContact CD2-CG2 3.49Å; Y245-V252 VanDerWaalsContact CD2-CG2 3.49Å; Y245-V252 HydrophobicContact CE1-CG2 4.06Å; Y245-V252 HydrophobicContact CE2-CG2 3.66Å; Y245-V252 HydrophobicContact CG-CG2 3.62Å; G248-V252 PolarHBondContact O-N 3.09Å; F249-V252 PolarHBondContact O-N 3.46Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 2.92Å; V252-E255 PolarHBondContact O-N 3.22Å; V252-L256 VanDerWaalsContact O-CB 3.24Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 PolarHBondContact O-N 3.21Å |
| 253 | L | 83.7 | Confident | 79.3 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 179.7 | 179 | 64.3 | 0 | 0 | 0 | 111.4 | L233 F249 D251 L256 V257 L265 | L233-L253 HydrophobicContact CD1-CD1 4.31Å; L233-L253 HydrophobicContact CD2-CB 3.88Å; L233-L253 HydrophobicContact CD2-CD1 4.08Å; F249-L253 VanDerWaalsContact O-CB 3.24Å; F249-L253 WeakPolarHBondContact O-CB 3.29Å; F249-L253 PolarHBondContact O-N 2.66Å; D251-L253 PolarHBondContact O-N 3.44Å; L253-L256 PolarHBondContact O-N 3.31Å; L253-V257 HydrophobicContact CD1-CG2 3.98Å; L253-V257 HydrophobicContact CG-CG2 4.48Å; L253-V257 WeakPolarHBondContact O-CB 3.45Å; L253-V257 VanDerWaalsContact O-CG2 3.24Å; L253-V257 WeakPolarHBondContact O-CG2 3.13Å; L253-V257 PolarHBondContact O-N 2.59Å; L253-L265 HydrophobicContact CD1-CD1 4.08Å; L253-L265 HydrophobicContact CD1-CD2 3.91Å |
| 254 | R | 85.3 | Confident | 79.5 | Confident | 179 Ų | 179 | 78.5 Ų | 78.5 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 178.9 | -176.6 | -177.1 | -72.8 | 174.5 | -4.5 | 111.7 | R250 D251 V252 R258 | R250-R254 VanDerWaalsContact O-CB 3.27Å; R250-R254 WeakPolarHBondContact O-CB 3.3Å; R250-R254 PolarHBondContact O-N 3.27Å; D251-R254 PolarHBondContact O-N 2.89Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 2.92Å; R254-R258 WeakPolarHBondContact O-CB 3.39Å; R254-R258 PolarHBondContact O-N 3.18Å |
| 255 | E | 82.3 | Confident | 79.8 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 175.3 | -174.3 | 177.8 | 141.6 | 0 | 0 | 110.1 | K244 Y245 D251 V252 V257 R258 E259 | K244-E255 WeakPolarHBondContact CE-OE2 3.49Å; K244-E255 IonicContact NZ-OE1 3.41Å; K244-E255 PolarHBondContact NZ-OE1 3.29Å; K244-E255 IonicContact NZ-OE2 2.74Å; K244-E255 PolarHBondContact NZ-OE2 2.67Å; Y245-E255 WeakPolarHBondContact CE1-OE2 3.41Å; Y245-E255 VanDerWaalsContact CZ-OE2 3.26Å; Y245-E255 PolarHBondContact OH-OE1 3.23Å; Y245-E255 PolarHBondContact OH-OE2 3.3Å; D251-E255 WeakPolarHBondContact O-CB 3.35Å; D251-E255 PolarHBondContact O-N 2.91Å; V252-E255 PolarHBondContact O-N 3.22Å; E255-V257 PolarHBondContact O-N 3.41Å; E255-R258 PolarHBondContact O-N 3.45Å; E255-E259 HydrophobicContact CG-CG 4.17Å; E255-E259 WeakPolarHBondContact O-CB 3.31Å; E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.27Å |
| 256 | L | 81.1 | Confident | 79.9 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | -177.4 | -147.6 | 102.4 | 0 | 0 | 0 | 112.3 | V232 R236 V252 L253 E260 G261 S264 L265 | V232-L256 HydrophobicContact CG1-CD1 4.37Å; V232-L256 HydrophobicContact CG1-CD2 4.02Å; R236-L256 HydrophobicContact CG-CD1 3.76Å; V252-L256 VanDerWaalsContact O-CB 3.24Å; V252-L256 WeakPolarHBondContact O-CB 3.46Å; V252-L256 PolarHBondContact O-N 3.21Å; L253-L256 PolarHBondContact O-N 3.31Å; L256-E260 CarbonylContact O-C 3.53Å; L256-E260 WeakPolarHBondContact O-CA 3.01Å; L256-E260 WeakPolarHBondContact O-CB 3.28Å; L256-E260 PolarHBondContact O-N 3.25Å; L256-G261 PolarHBondContact O-N 2.96Å; L256-S264 WeakPolarHBondContact CD2-OG 3.31Å; L256-S264 VanDerWaalsContact CG-OG 3.28Å; L256-S264 WeakPolarHBondContact CG-OG 3.41Å; L256-S264 PolarHBondContact O-OG 3.39Å; L256-L265 HydrophobicContact CD2-CD2 3.49Å; L256-L265 VanDerWaalsContact CD2-CD2 3.49Å; L256-L265 HydrophobicContact CD2-CG 3.88Å |
| 257 | V | 85.6 | Confident | 79.9 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 38% | 0.376 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L253 E255 G261 | L253-V257 HydrophobicContact CD1-CG2 3.98Å; L253-V257 HydrophobicContact CG-CG2 4.48Å; L253-V257 WeakPolarHBondContact O-CB 3.45Å; L253-V257 VanDerWaalsContact O-CG2 3.24Å; L253-V257 WeakPolarHBondContact O-CG2 3.13Å; L253-V257 PolarHBondContact O-N 2.59Å; E255-V257 PolarHBondContact O-N 3.41Å; V257-G261 VanDerWaalsContact O-CA 3.25Å; V257-G261 WeakPolarHBondContact O-CA 3.46Å; V257-G261 PolarHBondContact O-N 2.88Å |
| 258 | R | 85.9 | Confident | 79.6 | Confident | 218 Ų | 218 | 76.4 Ų | 76.4 | 82% | 0.823 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -75.5 | -39.5 | -178.8 | -173.5 | 178.7 | -178.6 | -177.4 | 0.5 | 112.8 | R254 E255 | R254-R258 WeakPolarHBondContact O-CB 3.39Å; R254-R258 PolarHBondContact O-N 3.18Å; E255-R258 PolarHBondContact O-N 3.45Å |
| 259 | E | 82.4 | Confident | 79.5 | Confident | 140 Ų | 140 | 78.3 Ų | 78.3 | 65% | 0.654 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -93.8 | -38.1 | -173.8 | -63.6 | -171.6 | 176.2 | 0 | 0 | 112.9 | E255 | E255-E259 HydrophobicContact CG-CG 4.17Å; E255-E259 WeakPolarHBondContact O-CB 3.31Å; E255-E259 WeakPolarHBondContact O-CG 3.48Å; E255-E259 PolarHBondContact O-N 3.27Å |
| 260 | E | 74.3 | Confident | 79.3 | Confident | 73 Ų | 73 | 82.6 Ų | 82.6 | 34% | 0.341 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -114.9 | -3.8 | -174.2 | -55 | -171.8 | 174.7 | 0 | 0 | 113.5 | R236 L256 S264 K267 | R236-E260 IonicContact CZ-OE1 3.25Å; R236-E260 IonicContact NH1-OE1 3.47Å; R236-E260 VanDerWaalsContact NH2-CD 3.25Å; R236-E260 IonicContact NH2-OE1 2.86Å; R236-E260 PolarHBondContact NH2-OE1 2.84Å; R236-E260 IonicContact NH2-OE2 2.93Å; R236-E260 PolarHBondContact NH2-OE2 3.31Å; L256-E260 CarbonylContact O-C 3.53Å; L256-E260 WeakPolarHBondContact O-CA 3.01Å; L256-E260 WeakPolarHBondContact O-CB 3.28Å; L256-E260 PolarHBondContact O-N 3.25Å; E260-S264 VanDerWaalsContact CB-CB 3.45Å; E260-S264 WeakPolarHBondContact OE2-CB 3.33Å; E260-K267 IonicContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 3.36Å; E260-K267 PolarHBondContact OE2-NZ 2.87Å |
| 261 | G | 81.8 | Confident | 78.7 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | trans | 75.5 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L256 V257 G263 S264 | L256-G261 PolarHBondContact O-N 2.96Å; V257-G261 VanDerWaalsContact O-CA 3.25Å; V257-G261 WeakPolarHBondContact O-CA 3.46Å; V257-G261 PolarHBondContact O-N 2.88Å; G261-G263 VanDerWaalsContact C-N 3.27Å; G261-G263 PolarHBondContact O-N 3.34Å; G261-S264 WeakPolarHBondContact O-CB 3.43Å; G261-S264 PolarHBondContact O-N 2.95Å; G261-S264 PolarHBondContact O-OG 3.41Å | ||
| 262 | I | 81.4 | Confident | 78.3 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 67% | 0.667 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -67.3 | -26.1 | -174.8 | -149.8 | 163.8 | 0 | 0 | 0 | 113.6 | S264 L265 | I262-S264 PolarHBondContact O-N 3.05Å; I262-L265 HydrophobicContact CG1-CD1 4.22Å; I262-L265 PolarHBondContact O-N 2.97Å |
| 263 | G | 73.3 | Confident | 78 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -66.4 | -18.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G261 L265 Y266 | G261-G263 VanDerWaalsContact C-N 3.27Å; G261-G263 PolarHBondContact O-N 3.34Å; G263-L265 PolarHBondContact O-N 3.47Å; G263-Y266 PolarHBondContact O-N 3.31Å; G263-Y266 VanDerWaalsContact O-N 3.16Å |
| 264 | S | 75 | Confident | 77.6 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -64.4 | -27.5 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | L256 E260 G261 I262 Y266 K267 | L256-S264 WeakPolarHBondContact CD2-OG 3.31Å; L256-S264 VanDerWaalsContact CG-OG 3.28Å; L256-S264 WeakPolarHBondContact CG-OG 3.41Å; L256-S264 PolarHBondContact O-OG 3.39Å; E260-S264 VanDerWaalsContact CB-CB 3.45Å; E260-S264 WeakPolarHBondContact OE2-CB 3.33Å; G261-S264 WeakPolarHBondContact O-CB 3.43Å; G261-S264 PolarHBondContact O-N 2.95Å; G261-S264 PolarHBondContact O-OG 3.41Å; I262-S264 PolarHBondContact O-N 3.05Å; S264-Y266 PolarHBondContact O-N 3.35Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 WeakPolarHBondContact O-CG 3.24Å; S264-K267 PolarHBondContact O-N 3.48Å; S264-K267 VanDerWaalsContact O-N 3.13Å |
| 265 | L | 79.6 | Confident | 77 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -64.2 | -20.4 | 175.8 | -69.4 | 170.1 | 0 | 0 | 0 | 113 | I228 P229 V232 L233 L253 L256 I262 G263 | I228-L265 VanDerWaalsContact CG2-O 3.31Å; I228-L265 WeakPolarHBondContact CG2-O 3.35Å; P229-L265 WeakPolarHBondContact CA-O 3.44Å; P229-L265 HydrophobicContact CB-CB 4.18Å; P229-L265 HydrophobicContact CB-CD2 4.44Å; P229-L265 HydrophobicContact CG-CB 4.49Å; V232-L265 WeakPolarHBondContact CG2-O 3.24Å; L233-L265 HydrophobicContact CD2-CD2 4.06Å; L233-L265 HydrophobicContact CG-CD2 4.1Å; L253-L265 HydrophobicContact CD1-CD1 4.08Å; L253-L265 HydrophobicContact CD1-CD2 3.91Å; L256-L265 HydrophobicContact CD2-CD2 3.49Å; L256-L265 VanDerWaalsContact CD2-CD2 3.49Å; L256-L265 HydrophobicContact CD2-CG 3.88Å; I262-L265 HydrophobicContact CG1-CD1 4.22Å; I262-L265 PolarHBondContact O-N 2.97Å; G263-L265 PolarHBondContact O-N 3.47Å |
| 266 | Y | 80.4 | Confident | 76.6 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -105.5 | 12.1 | 178.4 | -68.9 | -88.9 | 0 | 0 | 0 | 113.2 | A225 I228 P229 G263 S264 G268 F269 | A225-Y266 WeakPolarHBondContact O-CE1 3.48Å; I228-Y266 HydrophobicContact CG2-CD1 4.22Å; P229-Y266 HydrophobicContact CG-CE1 4Å; P229-Y266 HydrophobicContact CG-CE2 4.16Å; G263-Y266 PolarHBondContact O-N 3.31Å; G263-Y266 VanDerWaalsContact O-N 3.16Å; S264-Y266 PolarHBondContact O-N 3.35Å; Y266-G268 PolarHBondContact O-N 2.81Å; Y266-G268 VanDerWaalsContact O-N 3.11Å; Y266-F269 HydrophobicContact CD1-CD2 4.37Å; Y266-F269 VanDerWaalsContact O-CB 3.29Å; Y266-F269 WeakPolarHBondContact O-CB 3.24Å; Y266-F269 PolarHBondContact O-N 3.2Å |
| 267 | K | 70.3 | Confident | 76.4 | Confident | 118 Ų | 118 | 81.6 Ų | 81.6 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 118.3 | 173.3 | -81.7 | 176.5 | 176.9 | -179.9 | 0 | 109.8 | E260 S264 | E260-K267 IonicContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 3.36Å; E260-K267 PolarHBondContact OE2-NZ 2.87Å; S264-K267 WeakPolarHBondContact O-CB 3.26Å; S264-K267 WeakPolarHBondContact O-CG 3.24Å; S264-K267 PolarHBondContact O-N 3.48Å; S264-K267 VanDerWaalsContact O-N 3.13Å |
| 268 | G | 69.6 | Low | 76 | Confident | 43 Ų | 43 | 81.7 Ų | 81.7 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.1 | -9.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y266 N270 A271 V272 | Y266-G268 PolarHBondContact O-N 2.81Å; Y266-G268 VanDerWaalsContact O-N 3.11Å; G268-N270 PolarHBondContact O-N 3.37Å; G268-A271 WeakPolarHBondContact O-CB 3.39Å; G268-A271 PolarHBondContact O-N 3.19Å; G268-A271 VanDerWaalsContact O-N 3.09Å; G268-V272 WeakPolarHBondContact O-CG2 3.46Å; G268-V272 PolarHBondContact O-N 2.95Å |
| 269 | F | 75.1 | Confident | 75.6 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 26% | 0.263 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -52.7 | -49.9 | 178.7 | -176.6 | -90.4 | 0 | 0 | 0 | 112.7 | A225 I228 Y266 A271 V272 M273 | A225-F269 HydrophobicContact CB-CE2 4.32Å; I228-F269 HydrophobicContact CD1-CB 4.03Å; I228-F269 HydrophobicContact CD1-CD2 3.47Å; I228-F269 VanDerWaalsContact CD1-CD2 3.47Å; I228-F269 HydrophobicContact CD1-CE2 4.34Å; I228-F269 HydrophobicContact CD1-CG 4.17Å; Y266-F269 HydrophobicContact CD1-CD2 4.37Å; Y266-F269 VanDerWaalsContact O-CB 3.29Å; Y266-F269 WeakPolarHBondContact O-CB 3.24Å; Y266-F269 PolarHBondContact O-N 3.2Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 2.96Å; F269-V272 PolarHBondContact O-N 3.25Å; F269-V272 VanDerWaalsContact O-N 3.13Å; F269-M273 HydrophobicContact CD1-CG 3.83Å; F269-M273 HydrophobicContact CD2-CE 4.5Å; F269-M273 HydrophobicContact CE1-CG 3.42Å; F269-M273 VanDerWaalsContact CE1-CG 3.42Å; F269-M273 HydrophobicContact CE1-SD 4.32Å; F269-M273 HydrophobicContact CE2-CE 4Å; F269-M273 HydrophobicContact CE2-CG 4.25Å; F269-M273 HydrophobicContact CE2-SD 4.4Å; F269-M273 HydrophobicContact CG-CG 4.41Å; F269-M273 HydrophobicContact CZ-CE 4.15Å; F269-M273 HydrophobicContact CZ-CG 3.64Å; F269-M273 HydrophobicContact CZ-SD 3.94Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.42Å |
| 270 | N | 72.9 | Confident | 75.4 | Confident | 132 Ų | 132 | 66.9 Ų | 66.9 | 71% | 0.706 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | 179.3 | -68 | -11 | 0 | 0 | 0 | 112.5 | G268 M273 L274 | G268-N270 PolarHBondContact O-N 3.37Å; N270-M273 PolarHBondContact O-N 2.93Å; N270-L274 WeakPolarHBondContact O-CB 3.33Å; N270-L274 PolarHBondContact O-N 2.86Å |
| 271 | A | 70.1 | Confident | 75.6 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.1 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G268 F269 R275 | G268-A271 WeakPolarHBondContact O-CB 3.39Å; G268-A271 PolarHBondContact O-N 3.19Å; G268-A271 VanDerWaalsContact O-N 3.09Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 2.96Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.37Å |
| 272 | V | 73.6 | Confident | 75.7 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.8 | 178 | 0 | 0 | 0 | 0 | 110.7 | W224 I228 G268 F269 R275 A276 | W224-V272 HydrophobicContact CB-CG1 4.03Å; W224-V272 HydrophobicContact CD2-CG1 3.54Å; W224-V272 HydrophobicContact CE3-CG1 3.87Å; W224-V272 HydrophobicContact CE3-CG2 4.48Å; W224-V272 HydrophobicContact CG-CG1 3.59Å; I228-V272 HydrophobicContact CD1-CG2 4.46Å; G268-V272 WeakPolarHBondContact O-CG2 3.46Å; G268-V272 PolarHBondContact O-N 2.95Å; F269-V272 PolarHBondContact O-N 3.25Å; F269-V272 VanDerWaalsContact O-N 3.13Å; V272-R275 PolarHBondContact O-N 2.78Å; V272-A276 WeakPolarHBondContact O-CB 3.41Å; V272-A276 PolarHBondContact O-N 2.99Å |
| 273 | M | 74.8 | Confident | 75.7 | Confident | 33 Ų | 33 | 60 Ų | 60 | 16% | 0.163 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -43.8 | 178.7 | -68.1 | -55.3 | 113.9 | 0 | 0 | 112.5 | I221 W224 F269 N270 R275 A276 F277 | I221-M273 HydrophobicContact CB-SD 4.17Å; I221-M273 HydrophobicContact CD1-SD 4.4Å; I221-M273 HydrophobicContact CG1-SD 3.86Å; I221-M273 HydrophobicContact CG2-CE 4.22Å; I221-M273 HydrophobicContact CG2-SD 3.63Å; W224-M273 HydrophobicContact CB-CE 3.82Å; F269-M273 HydrophobicContact CD1-CG 3.83Å; F269-M273 HydrophobicContact CD2-CE 4.5Å; F269-M273 HydrophobicContact CE1-CG 3.42Å; F269-M273 VanDerWaalsContact CE1-CG 3.42Å; F269-M273 HydrophobicContact CE1-SD 4.32Å; F269-M273 HydrophobicContact CE2-CE 4Å; F269-M273 HydrophobicContact CE2-CG 4.25Å; F269-M273 HydrophobicContact CE2-SD 4.4Å; F269-M273 HydrophobicContact CG-CG 4.41Å; F269-M273 HydrophobicContact CZ-CE 4.15Å; F269-M273 HydrophobicContact CZ-CG 3.64Å; F269-M273 HydrophobicContact CZ-SD 3.94Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.42Å; N270-M273 PolarHBondContact O-N 2.93Å; M273-R275 PolarHBondContact O-N 3.37Å; M273-A276 PolarHBondContact O-N 3.16Å; M273-A276 VanDerWaalsContact O-N 3.14Å; M273-F277 PolarHBondContact O-N 3.22Å; M273-F277 VanDerWaalsContact O-N 3.1Å |
| 274 | L | 74.6 | Confident | 75.9 | Confident | 137 Ų | 137 | 59.7 Ų | 59.7 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.2 | -31 | 177.3 | -172.8 | 66.4 | 0 | 0 | 0 | 112.1 | N270 P278 | N270-L274 WeakPolarHBondContact O-CB 3.33Å; N270-L274 PolarHBondContact O-N 2.86Å; L274-P278 WeakPolarHBondContact O-CD 3.3Å; L274-P278 WeakPolarHBondContact O-CG 3.46Å |
| 275 | R | 73.9 | Confident | 76.3 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 30% | 0.302 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -76.6 | -41 | 172.6 | -168.6 | -166 | 82.4 | 103.5 | 9.7 | 112.4 | L31 D32 A271 V272 M273 F277 P278 A279 | L31-R275 HydrophobicContact CD1-CG 4.31Å; D32-R275 IonicContact OD1-CZ 2.76Å; D32-R275 IonicContact OD1-NH1 3.46Å; D32-R275 PolarHBondContact OD1-NH1 2.9Å; D32-R275 IonicContact OD2-NH1 3.77Å; D32-R275 PolarHBondContact OD2-NH1 3.47Å; D32-R275 VanDerWaalsContact OD2-NH1 3.14Å; A271-R275 WeakPolarHBondContact O-CB 3.38Å; A271-R275 PolarHBondContact O-N 3.37Å; V272-R275 PolarHBondContact O-N 2.78Å; M273-R275 PolarHBondContact O-N 3.37Å; R275-F277 VanDerWaalsContact C-N 3.31Å; R275-F277 PolarHBondContact O-N 2.86Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.4Å |
| 276 | A | 72.6 | Confident | 76.5 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V272 M273 A279 N280 | V272-A276 WeakPolarHBondContact O-CB 3.41Å; V272-A276 PolarHBondContact O-N 2.99Å; M273-A276 PolarHBondContact O-N 3.16Å; M273-A276 VanDerWaalsContact O-N 3.14Å; A276-A279 PolarHBondContact O-N 2.87Å; A276-N280 VanDerWaalsContact O-CB 3.25Å; A276-N280 WeakPolarHBondContact O-CB 3.24Å; A276-N280 PolarHBondContact O-N 3.3Å; A276-N280 PolarHBondContact O-ND2 3.48Å |
| 277 | F | 76.9 | Confident | 76.5 | Confident | 160 Ų | 160 | 58.9 Ų | 58.9 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -54.2 | -177.2 | -177.9 | -87.7 | 0 | 0 | 0 | 113.5 | M273 R275 A279 N280 A281 | M273-F277 PolarHBondContact O-N 3.22Å; M273-F277 VanDerWaalsContact O-N 3.1Å; R275-F277 VanDerWaalsContact C-N 3.31Å; R275-F277 PolarHBondContact O-N 2.86Å; F277-A279 PolarHBondContact O-N 3.44Å; F277-N280 PolarHBondContact O-N 2.96Å; F277-A281 WeakPolarHBondContact O-CB 3.27Å; F277-A281 PolarHBondContact O-N 3.39Å |
| 278 | P | 78.2 | Confident | 77 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 176.1 | -23.8 | 33.9 | 0 | 0 | 0 | 113.6 | L274 R275 A281 A282 | L274-P278 WeakPolarHBondContact O-CD 3.3Å; L274-P278 WeakPolarHBondContact O-CG 3.46Å; R275-P278 WeakPolarHBondContact O-CD 3.4Å; P278-A281 PolarHBondContact O-N 2.84Å; P278-A282 WeakPolarHBondContact O-CB 3.42Å; P278-A282 PolarHBondContact O-N 3.29Å |
| 279 | A | 76.4 | Confident | 77.7 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L24 R275 A276 F277 C283 | L24-A279 HydrophobicContact CG-CB 4.32Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.4Å; A276-A279 PolarHBondContact O-N 2.87Å; F277-A279 PolarHBondContact O-N 3.44Å; A279-C283 PolarHBondContact O-N 2.97Å; A279-C283 VanDerWaalsContact O-N 3.14Å |
| 280 | N | 77.9 | Confident | 78 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 175 | -71 | -19.2 | 0 | 0 | 0 | 110.7 | A276 F277 A282 C283 F284 | A276-N280 VanDerWaalsContact O-CB 3.25Å; A276-N280 WeakPolarHBondContact O-CB 3.24Å; A276-N280 PolarHBondContact O-N 3.3Å; A276-N280 PolarHBondContact O-ND2 3.48Å; F277-N280 PolarHBondContact O-N 2.96Å; N280-A282 VanDerWaalsContact C-N 3.31Å; N280-A282 PolarHBondContact O-N 3.37Å; N280-C283 WeakPolarHBondContact O-CA 3.4Å; N280-C283 WeakPolarHBondContact O-CB 3.33Å; N280-C283 PolarHBondContact O-N 2.62Å; N280-F284 HydrophobicContact CB-CE2 4.21Å; N280-F284 WeakPolarHBondContact O-CD2 3.19Å; N280-F284 PolarHBondContact O-N 3.3Å |
| 281 | A | 79.9 | Confident | 78.4 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F277 P278 C283 F284 L285 | F277-A281 WeakPolarHBondContact O-CB 3.27Å; F277-A281 PolarHBondContact O-N 3.39Å; P278-A281 PolarHBondContact O-N 2.84Å; A281-C283 VanDerWaalsContact C-N 3.32Å; A281-C283 PolarHBondContact O-N 2.9Å; A281-F284 PolarHBondContact O-N 3.26Å; A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 PolarHBondContact O-N 2.88Å |
| 282 | A | 83.4 | Confident | 79 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | C23 A27 P278 N280 G286 | C23-A282 WeakPolarHBondContact CB-O 3.4Å; A27-A282 HydrophobicContact CB-CB 3.33Å; P278-A282 WeakPolarHBondContact O-CB 3.42Å; P278-A282 PolarHBondContact O-N 3.29Å; N280-A282 VanDerWaalsContact C-N 3.31Å; N280-A282 PolarHBondContact O-N 3.37Å; A282-G286 PolarHBondContact O-N 2.93Å |
| 283 | C | 80.2 | Confident | 79.5 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 173.2 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | G20 L24 A279 N280 A281 L285 G286 F287 | G20-C283 VanDerWaalsContact C-SG 3.59Å; G20-C283 PolarHBondContact O-SG 3Å; L24-C283 HydrophobicContact CB-CB 3.94Å; L24-C283 HydrophobicContact CD1-CB 3.95Å; L24-C283 HydrophobicContact CG-CB 4.42Å; A279-C283 PolarHBondContact O-N 2.97Å; A279-C283 VanDerWaalsContact O-N 3.14Å; N280-C283 WeakPolarHBondContact O-CA 3.4Å; N280-C283 WeakPolarHBondContact O-CB 3.33Å; N280-C283 PolarHBondContact O-N 2.62Å; A281-C283 VanDerWaalsContact C-N 3.32Å; A281-C283 PolarHBondContact O-N 2.9Å; C283-L285 PolarHBondContact O-N 3.5Å; C283-G286 PolarHBondContact O-N 3.36Å; C283-F287 WeakPolarHBondContact O-CB 3.45Å; C283-F287 PolarHBondContact O-N 3.3Å |
| 284 | F | 79 | Confident | 79.8 | Confident | 47 Ų | 47 | 59 Ų | 59 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 178 | -72.2 | -80.6 | 0 | 0 | 0 | 111.9 | L213 F214 N280 A281 F287 E288 | L213-F284 HydrophobicContact CB-CD1 3.64Å; L213-F284 HydrophobicContact CB-CE1 3.08Å; L213-F284 HydrophobicContact CB-CZ 3.69Å; L213-F284 HydrophobicContact CD1-CD1 4.01Å; L213-F284 HydrophobicContact CD1-CE1 4.32Å; L213-F284 HydrophobicContact CG-CD1 4.5Å; L213-F284 HydrophobicContact CG-CE1 4.32Å; L213-F284 VanDerWaalsContact O-CZ 3.27Å; L213-F284 WeakPolarHBondContact O-CZ 3.36Å; F214-F284 HydrophobicContact CB-CE1 4.25Å; F214-F284 HydrophobicContact CB-CZ 4.22Å; F214-F284 VanDerWaalsContact N-CE1 3.27Å; F214-F284 VanDerWaalsContact N-CZ 3.29Å; N280-F284 HydrophobicContact CB-CE2 4.21Å; N280-F284 WeakPolarHBondContact O-CD2 3.19Å; N280-F284 PolarHBondContact O-N 3.3Å; A281-F284 PolarHBondContact O-N 3.26Å; F284-F287 PolarHBondContact O-N 3.47Å; F284-E288 PolarHBondContact O-N 2.85Å |
| 285 | L | 83.3 | Confident | 80.2 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 179.6 | -176.3 | 144.4 | 0 | 0 | 0 | 111.1 | A281 C283 F287 E288 L289 | A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 PolarHBondContact O-N 2.88Å; C283-L285 PolarHBondContact O-N 3.5Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.48Å; L285-E288 PolarHBondContact O-N 3.44Å; L285-L289 HydrophobicContact CD2-CD1 3.54Å; L285-L289 HydrophobicContact CD2-CG 4.35Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.05Å |
| 286 | G | 82.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F19 A282 C283 L289 A290 | F19-G286 WeakPolarHBondContact CD1-O 3.46Å; A282-G286 PolarHBondContact O-N 2.93Å; C283-G286 PolarHBondContact O-N 3.36Å; G286-L289 PolarHBondContact O-N 2.78Å; G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.26Å |
| 287 | F | 81.2 | Confident | 81 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 4% | 0.044 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 176.3 | 174.8 | -92.2 | 0 | 0 | 0 | 112.2 | A16 I209 L213 C283 F284 L285 L289 A290 M291 | A16-F287 HydrophobicContact CB-CD2 3.65Å; A16-F287 HydrophobicContact CB-CE2 3.5Å; A16-F287 VanDerWaalsContact CB-CE2 3.5Å; A16-F287 HydrophobicContact CB-CZ 4.3Å; I209-F287 HydrophobicContact CB-CE1 3.78Å; I209-F287 HydrophobicContact CB-CE2 4.34Å; I209-F287 HydrophobicContact CB-CZ 3.49Å; I209-F287 VanDerWaalsContact CB-CZ 3.49Å; I209-F287 HydrophobicContact CD1-CE1 4.49Å; I209-F287 HydrophobicContact CD1-CE2 4.35Å; I209-F287 HydrophobicContact CD1-CZ 3.59Å; I209-F287 HydrophobicContact CG1-CZ 4.14Å; I209-F287 HydrophobicContact CG2-CD1 4.33Å; I209-F287 HydrophobicContact CG2-CD2 4.25Å; I209-F287 HydrophobicContact CG2-CE1 3.54Å; I209-F287 HydrophobicContact CG2-CE2 3.45Å; I209-F287 VanDerWaalsContact CG2-CE2 3.45Å; I209-F287 HydrophobicContact CG2-CZ 3.06Å; L213-F287 HydrophobicContact CD1-CB 3.75Å; L213-F287 HydrophobicContact CD1-CD1 3.57Å; L213-F287 HydrophobicContact CD1-CD2 3.94Å; L213-F287 HydrophobicContact CD1-CE1 4.22Å; L213-F287 HydrophobicContact CD1-CG 3.43Å; L213-F287 VanDerWaalsContact CD1-CG 3.43Å; C283-F287 WeakPolarHBondContact O-CB 3.45Å; C283-F287 PolarHBondContact O-N 3.3Å; F284-F287 PolarHBondContact O-N 3.47Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.48Å; F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 2.97Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-M291 HydrophobicContact CD1-CG 4.12Å; F287-M291 HydrophobicContact CD2-CG 4.37Å; F287-M291 HydrophobicContact CE1-CB 4.49Å; F287-M291 HydrophobicContact CE1-CG 3.47Å; F287-M291 VanDerWaalsContact CE1-CG 3.47Å; F287-M291 HydrophobicContact CE2-CG 3.76Å; F287-M291 HydrophobicContact CE2-SD 4.16Å; F287-M291 HydrophobicContact CG-CG 4.49Å; F287-M291 HydrophobicContact CZ-CG 3.21Å; F287-M291 HydrophobicContact CZ-SD 3.82Å; F287-M291 WeakPolarHBondContact O-CB 3.41Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å |
| 288 | E | 80.1 | Confident | 81 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | -179.7 | -78.2 | -167.8 | -171.7 | 0 | 0 | 112.5 | F284 L285 M291 K292 | F284-E288 PolarHBondContact O-N 2.85Å; L285-E288 PolarHBondContact O-N 3.44Å; E288-M291 PolarHBondContact O-N 2.87Å; E288-K292 WeakPolarHBondContact O-CB 3.29Å; E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.45Å; E288-K292 PolarHBondContact O-N 3.4Å |
| 289 | L | 84.4 | Confident | 80.6 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 177 | -70.4 | 177.7 | 0 | 0 | 0 | 111.4 | L285 G286 F287 M291 K292 F293 | L285-L289 HydrophobicContact CD2-CD1 3.54Å; L285-L289 HydrophobicContact CD2-CG 4.35Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.05Å; G286-L289 PolarHBondContact O-N 2.78Å; F287-L289 VanDerWaalsContact C-N 3.34Å; F287-L289 PolarHBondContact O-N 2.97Å; L289-M291 PolarHBondContact O-N 3.49Å; L289-K292 PolarHBondContact O-N 3.29Å; L289-F293 WeakPolarHBondContact O-CB 3.24Å; L289-F293 PolarHBondContact O-N 3.43Å |
| 290 | A | 82.6 | Confident | 80.2 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A16 F19 G286 F287 F293 L294 | A16-A290 HydrophobicContact CB-CB 3.91Å; F19-A290 HydrophobicContact CB-CB 4Å; F19-A290 HydrophobicContact CD1-CB 3.69Å; F19-A290 HydrophobicContact CE1-CB 4.47Å; F19-A290 HydrophobicContact CG-CB 4.06Å; G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.26Å; F287-A290 PolarHBondContact O-N 3.2Å; A290-F293 PolarHBondContact O-N 3.26Å; A290-L294 WeakPolarHBondContact O-CB 3.17Å; A290-L294 VanDerWaalsContact O-CG 3.25Å; A290-L294 WeakPolarHBondContact O-CG 3.14Å; A290-L294 PolarHBondContact O-N 2.91Å |
| 291 | M | 79.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.069 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.3 | -80.6 | -55.3 | -58.9 | 0 | 0 | 112.3 | I8 K12 A16 F287 E288 L289 F293 L294 N295 | I8-M291 HydrophobicContact CD1-CE 4.37Å; I8-M291 HydrophobicContact CG2-CE 3.33Å; I8-M291 HydrophobicContact CG2-SD 4.41Å; K12-M291 HydrophobicContact CB-CE 4.49Å; K12-M291 HydrophobicContact CB-SD 4.36Å; A16-M291 HydrophobicContact CB-CG 3.62Å; A16-M291 HydrophobicContact CB-SD 3.47Å; A16-M291 WeakPolarHBondContact CB-SD 3.43Å; F287-M291 HydrophobicContact CD1-CG 4.12Å; F287-M291 HydrophobicContact CD2-CG 4.37Å; F287-M291 HydrophobicContact CE1-CB 4.49Å; F287-M291 HydrophobicContact CE1-CG 3.47Å; F287-M291 VanDerWaalsContact CE1-CG 3.47Å; F287-M291 HydrophobicContact CE2-CG 3.76Å; F287-M291 HydrophobicContact CE2-SD 4.16Å; F287-M291 HydrophobicContact CG-CG 4.49Å; F287-M291 HydrophobicContact CZ-CG 3.21Å; F287-M291 HydrophobicContact CZ-SD 3.82Å; F287-M291 WeakPolarHBondContact O-CB 3.41Å; F287-M291 WeakPolarHBondContact O-CG 3.44Å; F287-M291 PolarHBondContact O-N 3.28Å; E288-M291 PolarHBondContact O-N 2.87Å; L289-M291 PolarHBondContact O-N 3.49Å; M291-F293 VanDerWaalsContact C-N 3.29Å; M291-F293 PolarHBondContact O-N 3.36Å; M291-L294 PolarHBondContact O-N 2.98Å; M291-N295 VanDerWaalsContact O-CB 3.3Å; M291-N295 WeakPolarHBondContact O-CB 3.32Å; M291-N295 PolarHBondContact O-N 3Å; M291-N295 PolarHBondContact O-ND2 3.2Å; M291-N295 VanDerWaalsContact O-ND2 3.14Å |
| 292 | K | 82.6 | Confident | 79.2 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 175.7 | -75.7 | 173.4 | -176.9 | 170.1 | 0 | 111 | E288 L289 W296 | E288-K292 WeakPolarHBondContact O-CB 3.29Å; E288-K292 VanDerWaalsContact O-CG 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.45Å; E288-K292 PolarHBondContact O-N 3.4Å; L289-K292 PolarHBondContact O-N 3.29Å; K292-W296 WeakPolarHBondContact O-CB 3.25Å; K292-W296 PolarHBondContact O-N 3.16Å; K292-W296 VanDerWaalsContact O-N 3.11Å |
| 293 | F | 84.8 | Confident | 79 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 177.8 | -177.9 | -101.7 | 0 | 0 | 0 | 112.8 | L289 A290 M291 N295 W296 L297 | L289-F293 WeakPolarHBondContact O-CB 3.24Å; L289-F293 PolarHBondContact O-N 3.43Å; A290-F293 PolarHBondContact O-N 3.26Å; M291-F293 VanDerWaalsContact C-N 3.29Å; M291-F293 PolarHBondContact O-N 3.36Å; F293-N295 VanDerWaalsContact C-N 3.32Å; F293-N295 PolarHBondContact O-N 3.33Å; F293-W296 HydrophobicContact CD2-CE3 4.34Å; F293-W296 HydrophobicContact CE2-CE3 4.16Å; F293-W296 HydrophobicContact CE2-CZ3 4.16Å; F293-W296 WeakPolarHBondContact O-CB 3.48Å; F293-W296 PolarHBondContact O-N 2.99Å; F293-W296 VanDerWaalsContact O-N 3.13Å; F293-L297 HydrophobicContact CE1-CB 4.44Å; F293-L297 HydrophobicContact CE1-CD1 4.49Å; F293-L297 HydrophobicContact CE1-CD2 4.09Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CD2 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.39Å; F293-L297 PolarHBondContact O-N 3.14Å |
| 294 | L | 81.8 | Confident | 78.9 | Confident | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 179.1 | -72.2 | 169.5 | 0 | 0 | 0 | 112.4 | K12 F15 A16 A290 M291 W296 A298 | K12-L294 HydrophobicContact CB-CD1 4.4Å; K12-L294 HydrophobicContact CG-CB 4.32Å; F15-L294 HydrophobicContact CB-CD1 3.89Å; A16-L294 HydrophobicContact CB-CD1 4.24Å; A290-L294 WeakPolarHBondContact O-CB 3.17Å; A290-L294 VanDerWaalsContact O-CG 3.25Å; A290-L294 WeakPolarHBondContact O-CG 3.14Å; A290-L294 PolarHBondContact O-N 2.91Å; M291-L294 PolarHBondContact O-N 2.98Å; L294-W296 VanDerWaalsContact C-N 3.31Å; L294-A298 CarbonylContact O-C 3.36Å; L294-A298 WeakPolarHBondContact O-CA 3.46Å; L294-A298 PolarHBondContact O-N 3.21Å |
| 295 | N | 81.8 | Confident | 78.9 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -31.1 | 173.7 | -73.4 | -27.3 | 0 | 0 | 0 | 112.5 | M291 F293 | M291-N295 VanDerWaalsContact O-CB 3.3Å; M291-N295 WeakPolarHBondContact O-CB 3.32Å; M291-N295 PolarHBondContact O-N 3Å; M291-N295 PolarHBondContact O-ND2 3.2Å; M291-N295 VanDerWaalsContact O-ND2 3.14Å; F293-N295 VanDerWaalsContact C-N 3.32Å; F293-N295 PolarHBondContact O-N 3.33Å |
| 296 | W | 80.5 | Confident | 78.6 | Confident | 196 Ų | 196 | 77.7 Ų | 77.7 | 74% | 0.742 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -75.3 | -45.3 | 173.6 | 177.4 | 77.7 | 0 | 0 | 0 | 112.1 | K292 F293 L294 | K292-W296 WeakPolarHBondContact O-CB 3.25Å; K292-W296 PolarHBondContact O-N 3.16Å; K292-W296 VanDerWaalsContact O-N 3.11Å; F293-W296 HydrophobicContact CD2-CE3 4.34Å; F293-W296 HydrophobicContact CE2-CE3 4.16Å; F293-W296 HydrophobicContact CE2-CZ3 4.16Å; F293-W296 WeakPolarHBondContact O-CB 3.48Å; F293-W296 PolarHBondContact O-N 2.99Å; F293-W296 VanDerWaalsContact O-N 3.13Å; L294-W296 VanDerWaalsContact C-N 3.31Å |
| 297 | L | 82.8 | Confident | 78.3 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 55% | 0.55 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.8 | -41.9 | -175.2 | -168.7 | 87 | 0 | 0 | 0 | 112.7 | F293 | F293-L297 HydrophobicContact CE1-CB 4.44Å; F293-L297 HydrophobicContact CE1-CD1 4.49Å; F293-L297 HydrophobicContact CE1-CD2 4.09Å; F293-L297 HydrophobicContact CZ-CD1 4.08Å; F293-L297 HydrophobicContact CZ-CD2 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.39Å; F293-L297 PolarHBondContact O-N 3.14Å |
| 298 | A | 76.6 | Confident | 78.1 | Confident | 25 Ų | 25 | 88 Ų | 88 | 21% | 0.207 | 44% | 0.439 | C | S | . | . | trans | -140.4 | 70 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K12 L294 N300 L301 | K12-A298 WeakPolarHBondContact CE-O 3.44Å; K12-A298 PolarHBondContact NZ-O 3.46Å; L294-A298 CarbonylContact O-C 3.36Å; L294-A298 WeakPolarHBondContact O-CA 3.46Å; L294-A298 PolarHBondContact O-N 3.21Å; A298-N300 PolarHBondContact O-N 2.91Å; A298-N300 VanDerWaalsContact O-N 3.09Å; A298-L301 HydrophobicContact CB-CB 3.9Å; A298-L301 HydrophobicContact CB-CD1 4.31Å; A298-L301 WeakPolarHBondContact O-CB 3.14Å; A298-L301 PolarHBondContact O-N 3.02Å; A298-L301 VanDerWaalsContact O-N 3.1Å | ||
| 299 | P | 71.1 | Confident | 78 | Confident | 87 Ų | 87 | 87.8 Ų | 87.8 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.5 | -175.8 | 19.5 | -30.5 | 0 | 0 | 0 | 113.6 | K12 | K12-P299 VanDerWaalsContact NZ-C 3.35Å; K12-P299 PolarHBondContact NZ-O 3.31Å |
| 300 | N | 68.6 | Low | 77.4 | Confident | 164 Ų | 164 | 87.1 Ų | 87.1 | 88% | 0.877 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 1.3 | -178.4 | -59.5 | -22.8 | 0 | 0 | 0 | 114.9 | A298 | A298-N300 PolarHBondContact O-N 2.91Å; A298-N300 VanDerWaalsContact O-N 3.09Å |
| 301 | L | 56.3 | Low | 77 | Confident | 91 Ų | 91 | 94 Ų | 94 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | trans | -71 | 0 | 176.3 | -145.5 | 88 | 0 | 0 | 0 | 112.3 | S9 M11 K12 A298 | S9-L301 WeakPolarHBondContact CB-O 3.28Å; S9-L301 WeakPolarHBondContact CB-OXT 3.41Å; S9-L301 VanDerWaalsContact OG-C 3.31Å; S9-L301 PolarHBondContact OG-O 3Å; S9-L301 PolarHBondContact OG-OXT 3.46Å; M11-L301 HydrophobicContact CB-CD2 4.25Å; M11-L301 HydrophobicContact CE-CD2 4.47Å; K12-L301 HydrophobicContact CD-CB 4.48Å; K12-L301 WeakPolarHBondContact CD-O 3.3Å; K12-L301 VanDerWaalsContact CE-O 3.24Å; K12-L301 WeakPolarHBondContact CE-O 3.48Å; K12-L301 HydrophobicContact CG-CB 4.2Å; K12-L301 HydrophobicContact CG-CD2 4.32Å; K12-L301 PolarHBondContact NZ-O 2.84Å; A298-L301 HydrophobicContact CB-CB 3.9Å; A298-L301 HydrophobicContact CB-CD1 4.31Å; A298-L301 WeakPolarHBondContact O-CB 3.14Å; A298-L301 PolarHBondContact O-N 3.02Å; A298-L301 VanDerWaalsContact O-N 3.1Å |
Retrieved 301 of 301 residues in 703.5 ms
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