| 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 | 64.3 | Low | 82.8 | Confident | 185 Ų | 185 | 64 Ų | 64 | 91% | 0.911 | 34% | 0.343 | S | S | * | . | 0 | -35.8 | 0 | -170 | 177 | -72.7 | 0 | 0 | 110.9 | T4 | M1-T4 PolarHBondContact O-N 3.22Š| |||
| 2 | E | 71.9 | Confident | 83.5 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 177.9 | -53.7 | -147.7 | 136.5 | 0 | 0 | 113.1 | T4 V5 F6 H67 | E2-T4 PolarHBondContact O-N 3.36Å; E2-V5 PolarHBondContact O-N 3.44Å; E2-F6 HydrophobicContact CB-CD2 4.46Å; E2-F6 HydrophobicContact CB-CE2 4.21Å; E2-F6 WeakPolarHBondContact O-CD2 3.43Å; E2-F6 PolarHBondContact O-N 3.31Å; E2-H67 IonicContact OE1-CE1 2.74Å; E2-H67 IonicContact OE2-CE1 3.79Å |
| 3 | A | 78 | Confident | 84.1 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.9 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | F6 I7 L136 | A3-F6 PolarHBondContact O-N 2.74Å; A3-I7 WeakPolarHBondContact O-CD1 3.12Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.21Å; A3-L136 HydrophobicContact CB-CD1 4.38Å |
| 4 | T | 82.9 | Confident | 84.7 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 178 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | M1 E2 I7 L8 | M1-T4 PolarHBondContact O-N 3.22Å; E2-T4 PolarHBondContact O-N 3.36Å; T4-I7 PolarHBondContact O-N 3.42Å; T4-L8 WeakPolarHBondContact O-CG 3.17Å; T4-L8 PolarHBondContact O-N 3.44Å |
| 5 | V | 84.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | E2 L8 S9 L61 M62 S65 | E2-V5 PolarHBondContact O-N 3.44Å; V5-L8 PolarHBondContact O-N 3.05Å; V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.27Å; V5-S9 PolarHBondContact O-OG 3.04Å; V5-L61 HydrophobicContact CG1-CB 4.16Å; V5-M62 HydrophobicContact CG1-CE 4.02Å; V5-S65 WeakPolarHBondContact CG1-OG 3.24Å |
| 6 | F | 84.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.1 | -71.6 | -60.6 | 0 | 0 | 0 | 112.6 | E2 A3 L8 S9 L10 M62 H67 I70 M132 A135 | E2-F6 HydrophobicContact CB-CD2 4.46Å; E2-F6 HydrophobicContact CB-CE2 4.21Å; E2-F6 WeakPolarHBondContact O-CD2 3.43Å; E2-F6 PolarHBondContact O-N 3.31Å; A3-F6 PolarHBondContact O-N 2.74Å; F6-L8 PolarHBondContact O-N 3.03Å; F6-S9 WeakPolarHBondContact CA-OG 3.5Å; F6-S9 PolarHBondContact O-N 3.07Å; F6-S9 PolarHBondContact O-OG 3.43Å; F6-L10 PolarHBondContact O-N 3.08Å; F6-M62 HydrophobicContact CD1-CE 4.41Å; F6-M62 HydrophobicContact CE1-SD 4.38Å; F6-H67 AromaticContact CZ-CD2 3.84Å; F6-H67 AromaticContact CZ-CE1 3.74Å; F6-H67 AromaticContact CZ-NE2 3.51Å; F6-I70 HydrophobicContact CE1-CD1 4.08Å; F6-M132 HydrophobicContact CB-CB 3.86Å; F6-M132 HydrophobicContact CB-CG 4.12Å; F6-A135 HydrophobicContact CD2-CB 3.9Å; F6-A135 HydrophobicContact CE2-CB 4.01Å |
| 7 | I | 87.1 | Confident | 86 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.3 | -68.7 | 163.5 | 0 | 0 | 0 | 111 | A3 T4 S9 L10 V11 M132 | A3-I7 WeakPolarHBondContact O-CD1 3.12Å; A3-I7 WeakPolarHBondContact O-CG1 3.34Å; A3-I7 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 3.42Å; I7-S9 PolarHBondContact O-N 3.38Å; I7-L10 WeakPolarHBondContact O-CB 3.42Å; I7-L10 PolarHBondContact O-N 2.92Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 2.83Å; I7-V11 VanDerWaalsContact O-N 3.07Å; I7-M132 HydrophobicContact CG1-CG 4.24Å; I7-M132 HydrophobicContact CG1-SD 3.81Å |
| 8 | L | 88.3 | Confident | 86.4 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.6 | -74 | 172.3 | 0 | 0 | 0 | 112 | T4 V5 F6 L10 V11 D12 | T4-L8 WeakPolarHBondContact O-CG 3.17Å; T4-L8 PolarHBondContact O-N 3.44Å; V5-L8 PolarHBondContact O-N 3.05Å; F6-L8 PolarHBondContact O-N 3.03Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.94Å; L8-V11 PolarHBondContact O-N 3.42Å; L8-D12 PolarHBondContact O-N 3.1Å |
| 9 | S | 87.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -32.8 | 176.9 | 73 | 0 | 0 | 0 | 0 | 113.2 | V5 F6 I7 C13 M62 | V5-S9 WeakPolarHBondContact O-CB 3.38Å; V5-S9 PolarHBondContact O-N 3.27Å; V5-S9 PolarHBondContact O-OG 3.04Å; F6-S9 WeakPolarHBondContact CA-OG 3.5Å; F6-S9 PolarHBondContact O-N 3.07Å; F6-S9 PolarHBondContact O-OG 3.43Å; I7-S9 PolarHBondContact O-N 3.38Å; S9-C13 VanDerWaalsContact O-CB 3.22Å; S9-C13 WeakPolarHBondContact O-CB 3.46Å; S9-C13 PolarHBondContact O-N 3.5Å; S9-M62 VanDerWaalsContact CB-CE 3.41Å |
| 10 | L | 89.6 | Confident | 86.8 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 172.4 | -88.3 | 163.5 | 0 | 0 | 0 | 111.5 | F6 I7 L8 C13 C14 F125 L129 M132 | F6-L10 PolarHBondContact O-N 3.08Å; I7-L10 WeakPolarHBondContact O-CB 3.42Å; I7-L10 PolarHBondContact O-N 2.92Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.94Å; L10-C13 PolarHBondContact O-N 3.27Å; L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3.21Å; L10-C14 VanDerWaalsContact O-SG 3.38Å; L10-F125 HydrophobicContact CD2-CD2 3.65Å; L10-F125 HydrophobicContact CD2-CE2 3.52Å; L10-F125 HydrophobicContact CD2-CG 4.4Å; L10-F125 HydrophobicContact CD2-CZ 4.2Å; L10-L129 HydrophobicContact CD2-CB 4.27Å; L10-M132 HydrophobicContact CD1-CB 4.08Å; L10-M132 HydrophobicContact CD1-CE 4.47Å; L10-M132 HydrophobicContact CD1-CG 4.27Å; L10-M132 HydrophobicContact CD1-SD 3.5Å; L10-M132 VanDerWaalsContact CD1-SD 3.5Å |
| 11 | V | 91.6 | Very high | 87.1 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | I7 L8 C14 A15 | I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 2.83Å; I7-V11 VanDerWaalsContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 3.42Å; V11-C14 WeakPolarHBondContact O-CB 3.41Å; V11-C14 PolarHBondContact O-N 3.45Å; V11-A15 PolarHBondContact O-N 3.02Å |
| 12 | D | 90.7 | Very high | 88.5 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.2 | -171.9 | 73.1 | 0 | 0 | 0 | 111.6 | L8 C14 A15 L16 G54 S58 | L8-D12 PolarHBondContact O-N 3.1Å; D12-C14 PolarHBondContact O-N 3.13Å; D12-A15 WeakPolarHBondContact O-CB 3.45Å; D12-A15 PolarHBondContact O-N 3.48Å; D12-A15 VanDerWaalsContact O-N 3.11Å; D12-L16 WeakPolarHBondContact O-CG 3.34Å; D12-L16 PolarHBondContact O-N 3.17Å; D12-L16 WeakPolarHBondContact OD2-CD1 3.36Å; D12-G54 VanDerWaalsContact OD2-O 3.07Å; D12-S58 PolarHBondContact OD2-OG 3.44Å |
| 13 | C | 91.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.9 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | S9 L10 A15 L16 I17 H121 Y128 | S9-C13 VanDerWaalsContact O-CB 3.22Å; S9-C13 WeakPolarHBondContact O-CB 3.46Å; S9-C13 PolarHBondContact O-N 3.5Å; L10-C13 PolarHBondContact O-N 3.27Å; C13-A15 VanDerWaalsContact C-N 3.32Å; C13-A15 PolarHBondContact O-N 3.36Å; C13-L16 PolarHBondContact O-N 2.91Å; C13-I17 VanDerWaalsContact O-CG1 3.3Å; C13-I17 WeakPolarHBondContact O-CG1 3.25Å; C13-I17 PolarHBondContact O-N 3.13Å; C13-H121 PolarHBondContact SG-O 3Å; C13-Y128 HydrophobicContact CB-CD2 3.94Å; C13-Y128 HydrophobicContact CB-CE2 4.03Å |
| 14 | C | 92.4 | Very high | 89.9 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 173 | -76.2 | 0 | 0 | 0 | 0 | 112.1 | L10 V11 D12 I17 F18 F125 | L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3.21Å; L10-C14 VanDerWaalsContact O-SG 3.38Å; V11-C14 WeakPolarHBondContact O-CB 3.41Å; V11-C14 PolarHBondContact O-N 3.45Å; D12-C14 PolarHBondContact O-N 3.13Å; C14-I17 PolarHBondContact O-N 3.07Å; C14-F18 PolarHBondContact O-N 3.2Å; C14-F125 VanDerWaalsContact SG-CE2 3.5Å |
| 15 | A | 93.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V11 D12 C13 F18 L19 | V11-A15 PolarHBondContact O-N 3.02Å; D12-A15 WeakPolarHBondContact O-CB 3.45Å; D12-A15 PolarHBondContact O-N 3.48Å; D12-A15 VanDerWaalsContact O-N 3.11Å; C13-A15 VanDerWaalsContact C-N 3.32Å; C13-A15 PolarHBondContact O-N 3.36Å; A15-F18 PolarHBondContact O-N 3.46Å; A15-L19 VanDerWaalsContact O-CB 3.23Å; A15-L19 WeakPolarHBondContact O-CB 3.21Å; A15-L19 PolarHBondContact O-N 2.86Å |
| 16 | L | 90.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | 176.7 | -68.9 | 172.4 | 0 | 0 | 0 | 112.8 | D12 C13 S20 E51 Q55 | D12-L16 WeakPolarHBondContact O-CG 3.34Å; D12-L16 PolarHBondContact O-N 3.17Å; D12-L16 WeakPolarHBondContact OD2-CD1 3.36Å; C13-L16 PolarHBondContact O-N 2.91Å; L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.39Å; L16-E51 HydrophobicContact CD2-CG 4.33Å; L16-Q55 HydrophobicContact CD1-CG 3.93Å; L16-Q55 HydrophobicContact CD2-CG 4.21Å |
| 17 | I | 92.6 | Very high | 90.6 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 173 | -70.7 | 168.1 | 0 | 0 | 0 | 110 | C13 C14 L19 S20 V21 L118 H121 F125 | C13-I17 VanDerWaalsContact O-CG1 3.3Å; C13-I17 WeakPolarHBondContact O-CG1 3.25Å; C13-I17 PolarHBondContact O-N 3.13Å; C14-I17 PolarHBondContact O-N 3.07Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 3.22Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.74Å; I17-S20 VanDerWaalsContact O-N 3.15Å; I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.38Å; I17-L118 HydrophobicContact CG2-CD1 3.95Å; I17-H121 HydrophobicContact CD1-CB 4.47Å; I17-H121 HydrophobicContact CG1-CB 3.65Å; I17-F125 HydrophobicContact CD1-CB 4.02Å; I17-F125 HydrophobicContact CD1-CD2 4.41Å; I17-F125 HydrophobicContact CD1-CG 4.35Å |
| 18 | F | 93.3 | Very high | 90.7 | Very high | 158 Ų | 158 | 42.1 Ų | 42.1 | 69% | 0.693 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.9 | -43.6 | 179.3 | -175.8 | -96.9 | 0 | 0 | 0 | 111.6 | C14 A15 V21 Y22 | C14-F18 PolarHBondContact O-N 3.2Å; A15-F18 PolarHBondContact O-N 3.46Å; F18-V21 PolarHBondContact O-N 2.86Å; F18-Y22 WeakPolarHBondContact O-CB 3.23Å; F18-Y22 PolarHBondContact O-N 3.49Å |
| 19 | L | 91.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 176.6 | -179.3 | 133.4 | 0 | 0 | 0 | 112 | A15 I17 V21 Y22 F23 W47 P50 E51 | A15-L19 VanDerWaalsContact O-CB 3.23Å; A15-L19 WeakPolarHBondContact O-CB 3.21Å; A15-L19 PolarHBondContact O-N 2.86Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-L19 PolarHBondContact O-N 3.22Å; L19-V21 PolarHBondContact O-N 3.39Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 2.88Å; L19-F23 HydrophobicContact CD2-CD2 3.91Å; L19-F23 HydrophobicContact CD2-CE2 3.45Å; L19-F23 VanDerWaalsContact CD2-CE2 3.45Å; L19-F23 HydrophobicContact CG-CD2 4.18Å; L19-F23 HydrophobicContact CG-CE2 3.84Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 3.27Å; L19-W47 HydrophobicContact CD1-CB 4.26Å; L19-W47 HydrophobicContact CD1-CD2 4.29Å; L19-W47 HydrophobicContact CD1-CE3 3.53Å; L19-W47 HydrophobicContact CD1-CZ3 4.21Å; L19-P50 HydrophobicContact CD1-CB 4.36Å; L19-E51 HydrophobicContact CD2-CB 3.62Å; L19-E51 HydrophobicContact CD2-CG 3.55Å |
| 20 | S | 90.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 112 | L16 I17 F23 I24 | L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.39Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.74Å; I17-S20 VanDerWaalsContact O-N 3.15Å; S20-F23 WeakPolarHBondContact O-CB 3.37Å; S20-F23 PolarHBondContact O-N 3.34Å; S20-I24 WeakPolarHBondContact O-CG1 3.4Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.11Å |
| 21 | V | 93.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I17 F18 L19 F23 I24 I25 L118 | I17-V21 WeakPolarHBondContact O-CG2 3.48Å; I17-V21 PolarHBondContact O-N 3.38Å; F18-V21 PolarHBondContact O-N 2.86Å; L19-V21 PolarHBondContact O-N 3.39Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.5Å; V21-I24 PolarHBondContact O-N 3.28Å; V21-I24 VanDerWaalsContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 2.93Å; V21-L118 HydrophobicContact CG2-CD1 3.71Å; V21-L118 HydrophobicContact CG2-CD2 4.37Å |
| 22 | Y | 92.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 175.3 | 176.1 | -95 | 0 | 0 | 0 | 112.5 | F18 L19 T26 W47 | F18-Y22 WeakPolarHBondContact O-CB 3.23Å; F18-Y22 PolarHBondContact O-N 3.49Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 2.88Å; Y22-T26 WeakPolarHBondContact O-CB 3.36Å; Y22-T26 PolarHBondContact O-N 3.37Å; Y22-T26 PolarHBondContact O-OG1 3.44Å; Y22-W47 HydrophobicContact CD1-CG 4.43Å; Y22-W47 AromaticContact CE1-CD1 3.34Å; Y22-W47 HydrophobicContact CE1-CG 4.1Å; Y22-W47 AromaticContact CE1-NE1 3.57Å; Y22-W47 AromaticContact CZ-CD1 3.97Å; Y22-W47 AromaticContact CZ-NE1 3.76Å |
| 23 | F | 88.6 | Confident | 89.9 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 173.3 | -83 | -71.2 | 0 | 0 | 0 | 112 | L19 S20 V21 T26 L27 L44 W47 V48 E51 F96 | L19-F23 HydrophobicContact CD2-CD2 3.91Å; L19-F23 HydrophobicContact CD2-CE2 3.45Å; L19-F23 VanDerWaalsContact CD2-CE2 3.45Å; L19-F23 HydrophobicContact CG-CD2 4.18Å; L19-F23 HydrophobicContact CG-CE2 3.84Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 PolarHBondContact O-N 3.27Å; S20-F23 WeakPolarHBondContact O-CB 3.37Å; S20-F23 PolarHBondContact O-N 3.34Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.5Å; F23-T26 PolarHBondContact O-N 3.42Å; F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 VanDerWaalsContact O-CG 3.26Å; F23-L27 WeakPolarHBondContact O-CG 3.47Å; F23-L27 PolarHBondContact O-N 2.93Å; F23-L44 HydrophobicContact CD1-CB 4.44Å; F23-L44 HydrophobicContact CD1-CD1 4.48Å; F23-L44 HydrophobicContact CD1-CD2 4.02Å; F23-L44 HydrophobicContact CD1-CG 3.62Å; F23-L44 HydrophobicContact CE1-CB 3.95Å; F23-L44 HydrophobicContact CE1-CD2 4.29Å; F23-L44 HydrophobicContact CE1-CG 3.64Å; F23-W47 HydrophobicContact CE2-CB 4.31Å; F23-W47 HydrophobicContact CZ-CB 3.85Å; F23-V48 HydrophobicContact CE1-CG2 4.22Å; F23-V48 HydrophobicContact CZ-CG2 4.03Å; F23-E51 WeakPolarHBondContact CE2-OE2 3.23Å; F23-F96 HydrophobicContact CE1-CE2 4.28Å |
| 24 | I | 90.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 179.6 | -65.3 | 164.1 | 0 | 0 | 0 | 110.8 | S20 V21 L27 S28 M111 A114 M115 L118 | S20-I24 WeakPolarHBondContact O-CG1 3.4Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.11Å; V21-I24 PolarHBondContact O-N 3.28Å; V21-I24 VanDerWaalsContact O-N 3.15Å; I24-L27 PolarHBondContact O-N 3.37Å; I24-S28 WeakPolarHBondContact O-CB 3.34Å; I24-S28 PolarHBondContact O-N 3.01Å; I24-M111 HydrophobicContact CG2-CE 4.01Å; I24-A114 HydrophobicContact CG1-CB 3.73Å; I24-M115 HydrophobicContact CD1-CG 4.31Å; I24-M115 HydrophobicContact CD1-SD 3.77Å; I24-L118 HydrophobicContact CD1-CB 4.12Å; I24-L118 HydrophobicContact CD1-CD2 3.74Å; I24-L118 HydrophobicContact CD1-CG 4.48Å |
| 25 | I | 91.6 | Very high | 89.1 | Confident | 87 Ų | 87 | 55 Ų | 55 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 179.1 | -66.2 | 168.9 | 0 | 0 | 0 | 110.1 | V21 L27 S28 D29 | V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.47Å; V21-I25 PolarHBondContact O-N 2.93Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 2.85Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CB 3.41Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-S28 VanDerWaalsContact O-N 3.08Å; I25-D29 PolarHBondContact O-N 3.26Å |
| 26 | T | 88.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -33.8 | -177.3 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | Y22 F23 L30 I35 L44 | Y22-T26 WeakPolarHBondContact O-CB 3.36Å; Y22-T26 PolarHBondContact O-N 3.37Å; Y22-T26 PolarHBondContact O-OG1 3.44Å; F23-T26 PolarHBondContact O-N 3.42Å; T26-L30 PolarHBondContact O-N 2.95Å; T26-I35 HydrophobicContact CG2-CD1 3.71Å; T26-L44 HydrophobicContact CG2-CD1 3.33Å |
| 27 | L | 87.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 172.4 | -71.7 | 171.5 | 0 | 0 | 0 | 112.2 | F23 I24 I25 L30 E31 L44 I101 L107 M111 | F23-L27 WeakPolarHBondContact O-CB 3.27Å; F23-L27 VanDerWaalsContact O-CG 3.26Å; F23-L27 WeakPolarHBondContact O-CG 3.47Å; F23-L27 PolarHBondContact O-N 2.93Å; I24-L27 PolarHBondContact O-N 3.37Å; I25-L27 VanDerWaalsContact C-N 3.29Å; I25-L27 PolarHBondContact O-N 2.85Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 2.93Å; L27-E31 PolarHBondContact O-N 3.45Å; L27-L44 HydrophobicContact CD2-CD2 3.78Å; L27-L44 HydrophobicContact CG-CD2 4.12Å; L27-I101 HydrophobicContact CD2-CD1 4.21Å; L27-L107 HydrophobicContact CD2-CD1 3.91Å; L27-M111 HydrophobicContact CB-CE 4.38Å; L27-M111 HydrophobicContact CB-CG 3.9Å; L27-M111 HydrophobicContact CB-SD 4.43Å; L27-M111 HydrophobicContact CD1-CG 4.24Å |
| 28 | S | 88.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 174.6 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | I24 I25 L30 E31 C32 | I24-S28 WeakPolarHBondContact O-CB 3.34Å; I24-S28 PolarHBondContact O-N 3.01Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CB 3.41Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-S28 VanDerWaalsContact O-N 3.08Å; S28-L30 PolarHBondContact O-N 3.39Å; S28-E31 PolarHBondContact O-N 2.98Å; S28-C32 PolarHBondContact O-N 3.17Å |
| 29 | D | 89.9 | Confident | 87.4 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 172.8 | -75.5 | -16 | 0 | 0 | 0 | 110.6 | I25 D33 Y34 I35 | I25-D29 PolarHBondContact O-N 3.26Å; D29-D33 PolarHBondContact O-N 3.04Å; D29-Y34 WeakPolarHBondContact O-CB 3.22Å; D29-Y34 PolarHBondContact O-N 2.9Å; D29-I35 HydrophobicContact CB-CD1 4.07Å; D29-I35 HydrophobicContact CB-CG1 4.08Å; D29-I35 HydrophobicContact CB-CG2 4.32Å |
| 30 | L | 86.3 | Confident | 87 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 173.2 | -175.8 | 66.9 | 0 | 0 | 0 | 112.2 | T26 L27 S28 C32 D33 I35 A37 C40 I101 L107 | T26-L30 PolarHBondContact O-N 2.95Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 2.93Å; S28-L30 PolarHBondContact O-N 3.39Å; L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.35Å; L30-D33 PolarHBondContact O-N 2.95Å; L30-D33 VanDerWaalsContact O-N 3.12Å; L30-I35 HydrophobicContact CB-CG1 4.25Å; L30-I35 HydrophobicContact CD1-CG1 4.45Å; L30-I35 WeakPolarHBondContact CD1-O 3.26Å; L30-A37 HydrophobicContact CD1-CB 4.14Å; L30-C40 HydrophobicContact CD1-CB 4.39Å; L30-C40 HydrophobicContact CD2-CB 4.31Å; L30-I101 HydrophobicContact CD2-CB 4.41Å; L30-I101 HydrophobicContact CD2-CD1 3.74Å; L30-I101 HydrophobicContact CD2-CG1 3.7Å; L30-I101 HydrophobicContact CD2-CG2 3.9Å; L30-L107 HydrophobicContact CD2-CD1 4.16Å |
| 31 | E | 85.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 177 | -174.5 | 173.1 | -165 | 0 | 0 | 112.3 | L27 S28 D33 L107 M111 | L27-E31 PolarHBondContact O-N 3.45Å; S28-E31 PolarHBondContact O-N 2.98Å; E31-D33 VanDerWaalsContact C-N 3.25Å; E31-D33 PolarHBondContact O-N 3.46Å; E31-L107 HydrophobicContact CB-CD2 3.85Å; E31-L107 HydrophobicContact CG-CD2 4.21Å; E31-M111 VanDerWaalsContact OE2-SD 3.4Å |
| 32 | C | 85.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.7 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 113.6 | S28 L30 Y34 | S28-C32 PolarHBondContact O-N 3.17Å; L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.35Å; C32-Y34 HydrophobicContact CB-CD2 3.36Å; C32-Y34 HydrophobicContact CB-CE2 3.51Å; C32-Y34 HydrophobicContact CB-CG 4.47Å; C32-Y34 PolarHBondContact O-N 3.28Å; C32-Y34 VanDerWaalsContact O-N 3.15Å |
| 33 | D | 84.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 24.9 | -177.3 | -71.4 | -44.7 | 0 | 0 | 0 | 114.4 | D29 L30 E31 | D29-D33 PolarHBondContact O-N 3.04Å; L30-D33 PolarHBondContact O-N 2.95Å; L30-D33 VanDerWaalsContact O-N 3.12Å; E31-D33 VanDerWaalsContact C-N 3.25Å; E31-D33 PolarHBondContact O-N 3.46Å |
| 34 | Y | 81.3 | Confident | 85.7 | Confident | 179 Ų | 179 | 62.1 Ų | 62.1 | 70% | 0.702 | 32% | 0.322 | S | S | * | . | trans | -72.8 | -27.3 | 176.7 | -78.6 | -70.7 | 0 | 0 | 0 | 113 | D29 C32 | D29-Y34 WeakPolarHBondContact O-CB 3.22Å; D29-Y34 PolarHBondContact O-N 2.9Å; C32-Y34 HydrophobicContact CB-CD2 3.36Å; C32-Y34 HydrophobicContact CB-CE2 3.51Å; C32-Y34 HydrophobicContact CB-CG 4.47Å; C32-Y34 PolarHBondContact O-N 3.28Å; C32-Y34 VanDerWaalsContact O-N 3.15Å | ||
| 35 | I | 86.1 | Confident | 85.5 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -131.2 | 149.7 | -177.4 | 65.4 | 172.6 | 0 | 0 | 0 | 112.1 | T26 D29 L30 C40 | T26-I35 HydrophobicContact CG2-CD1 3.71Å; D29-I35 HydrophobicContact CB-CD1 4.07Å; D29-I35 HydrophobicContact CB-CG1 4.08Å; D29-I35 HydrophobicContact CB-CG2 4.32Å; L30-I35 HydrophobicContact CB-CG1 4.25Å; L30-I35 HydrophobicContact CD1-CG1 4.45Å; L30-I35 WeakPolarHBondContact CD1-O 3.26Å; I35-C40 HydrophobicContact CD1-CB 3.65Å; I35-C40 HydrophobicContact CG1-CB 4.28Å |
| 36 | N | 85.4 | Confident | 85.2 | Confident | 118 Ų | 118 | 66.8 Ų | 66.8 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | trans | -73 | 139.5 | 177.3 | -165.2 | 6.2 | 0 | 0 | 0 | 111.4 | R38 A39 C40 | N36-R38 PolarHBondContact O-N 3.08Å; N36-R38 VanDerWaalsContact O-N 3.12Å; N36-A39 PolarHBondContact O-N 2.92Å; N36-C40 PolarHBondContact O-N 3.35Å | ||
| 37 | A | 81 | Confident | 85.1 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -52.5 | -38 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L30 C40 C41 P98 I101 | L30-A37 HydrophobicContact CD1-CB 4.14Å; A37-C40 WeakPolarHBondContact O-CB 3.38Å; A37-C40 PolarHBondContact O-N 3.5Å; A37-C41 WeakPolarHBondContact O-CB 3.38Å; A37-C41 PolarHBondContact O-N 3.45Å; A37-C41 PolarHBondContact O-SG 3.15Å; A37-P98 HydrophobicContact CB-CB 4.17Å; A37-I101 HydrophobicContact CB-CG2 3.73Å |
| 38 | R | 82.1 | Confident | 84.9 | Confident | 181 Ų | 181 | 72.1 Ų | 72.1 | 68% | 0.683 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 177.7 | -166.3 | 177.9 | -169.8 | -157.3 | 2.7 | 112.9 | N36 S42 | N36-R38 PolarHBondContact O-N 3.08Å; N36-R38 VanDerWaalsContact O-N 3.12Å; R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.14Å |
| 39 | A | 83.6 | Confident | 84.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | N36 K43 | N36-A39 PolarHBondContact O-N 2.92Å; A39-K43 WeakPolarHBondContact O-CG 3.21Å; A39-K43 PolarHBondContact O-N 3.48Å |
| 40 | C | 83.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59 | -55.6 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L30 I35 N36 A37 S42 K43 L44 | L30-C40 HydrophobicContact CD1-CB 4.39Å; L30-C40 HydrophobicContact CD2-CB 4.31Å; I35-C40 HydrophobicContact CD1-CB 3.65Å; I35-C40 HydrophobicContact CG1-CB 4.28Å; N36-C40 PolarHBondContact O-N 3.35Å; A37-C40 WeakPolarHBondContact O-CB 3.38Å; A37-C40 PolarHBondContact O-N 3.5Å; C40-S42 VanDerWaalsContact C-N 3.33Å; C40-S42 PolarHBondContact O-N 3.07Å; C40-K43 PolarHBondContact O-N 3.32Å; C40-K43 VanDerWaalsContact O-N 3.1Å; C40-L44 WeakPolarHBondContact O-CD1 3.32Å; C40-L44 PolarHBondContact O-N 2.98Å |
| 41 | C | 82 | Confident | 84.5 | Confident | 8 Ų | 8 | 74.5 Ų | 74.5 | 5% | 0.054 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.3 | -40.5 | -177.7 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | A37 N45 F96 | A37-C41 WeakPolarHBondContact O-CB 3.38Å; A37-C41 PolarHBondContact O-N 3.45Å; A37-C41 PolarHBondContact O-SG 3.15Å; C41-N45 WeakPolarHBondContact O-CB 3.18Å; C41-N45 PolarHBondContact O-N 3Å; C41-F96 HydrophobicContact CB-CB 4.21Å; C41-F96 WeakPolarHBondContact CB-O 3.27Å |
| 42 | S | 84.5 | Confident | 84.5 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 176.2 | 176 | 0 | 0 | 0 | 0 | 112.6 | R38 C40 K46 | R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.14Å; C40-S42 VanDerWaalsContact C-N 3.33Å; C40-S42 PolarHBondContact O-N 3.07Å; S42-K46 WeakPolarHBondContact O-CB 3.18Å; S42-K46 PolarHBondContact O-N 3.29Å |
| 43 | K | 85.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 45% | 0.452 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -51.3 | 175.7 | -74.1 | 177.6 | 176.3 | -177.8 | 0 | 111 | A39 C40 N45 K46 W47 | A39-K43 WeakPolarHBondContact O-CG 3.21Å; A39-K43 PolarHBondContact O-N 3.48Å; C40-K43 PolarHBondContact O-N 3.32Å; C40-K43 VanDerWaalsContact O-N 3.1Å; K43-N45 PolarHBondContact O-N 3.22Å; K43-K46 WeakPolarHBondContact O-CB 3.18Å; K43-K46 PolarHBondContact O-N 2.91Å; K43-W47 PolarHBondContact O-N 3.47Å |
| 44 | L | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | -178.9 | -93.3 | 64.7 | 0 | 0 | 0 | 111.6 | F23 T26 L27 C40 K46 W47 V48 F96 | F23-L44 HydrophobicContact CD1-CB 4.44Å; F23-L44 HydrophobicContact CD1-CD1 4.48Å; F23-L44 HydrophobicContact CD1-CD2 4.02Å; F23-L44 HydrophobicContact CD1-CG 3.62Å; F23-L44 HydrophobicContact CE1-CB 3.95Å; F23-L44 HydrophobicContact CE1-CD2 4.29Å; F23-L44 HydrophobicContact CE1-CG 3.64Å; T26-L44 HydrophobicContact CG2-CD1 3.33Å; L27-L44 HydrophobicContact CD2-CD2 3.78Å; L27-L44 HydrophobicContact CG-CD2 4.12Å; C40-L44 WeakPolarHBondContact O-CD1 3.32Å; C40-L44 PolarHBondContact O-N 2.98Å; L44-K46 PolarHBondContact O-N 3.43Å; L44-W47 PolarHBondContact O-N 3.05Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.48Å; L44-F96 HydrophobicContact CB-CD2 3.69Å; L44-F96 HydrophobicContact CB-CE2 3.97Å; L44-F96 HydrophobicContact CB-CG 4.25Å; L44-F96 HydrophobicContact CD2-CD1 3.97Å; L44-F96 HydrophobicContact CD2-CD2 4Å; L44-F96 HydrophobicContact CD2-CE1 3.89Å; L44-F96 HydrophobicContact CD2-CE2 3.91Å; L44-F96 HydrophobicContact CD2-CG 4.02Å; L44-F96 HydrophobicContact CD2-CZ 3.85Å; L44-F96 HydrophobicContact CG-CD2 4.42Å; L44-F96 HydrophobicContact CG-CE2 4.36Å |
| 45 | N | 85.4 | Confident | 84.9 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -31.7 | -178.1 | -163.8 | 44.2 | 0 | 0 | 0 | 112.4 | C41 K43 W47 V95 | C41-N45 WeakPolarHBondContact O-CB 3.18Å; C41-N45 PolarHBondContact O-N 3Å; K43-N45 PolarHBondContact O-N 3.22Å; N45-W47 VanDerWaalsContact C-N 3.32Å; N45-W47 PolarHBondContact O-N 3.41Å; N45-V95 PolarHBondContact OD1-N 3.3Å |
| 46 | K | 85.7 | Confident | 84.9 | Confident | 162 Ų | 162 | 60.1 Ų | 60.1 | 70% | 0.704 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.7 | -34.5 | 173.9 | -173 | 175.7 | 179.8 | 178.9 | 0 | 112.5 | S42 K43 L44 P50 | S42-K46 WeakPolarHBondContact O-CB 3.18Å; S42-K46 PolarHBondContact O-N 3.29Å; K43-K46 WeakPolarHBondContact O-CB 3.18Å; K43-K46 PolarHBondContact O-N 2.91Å; L44-K46 PolarHBondContact O-N 3.43Å; K46-P50 WeakPolarHBondContact O-CD 3.32Å |
| 47 | W | 87 | Confident | 85 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -88.6 | -16.8 | -179.1 | -72 | 109.8 | 0 | 0 | 0 | 114.3 | L19 Y22 F23 K43 L44 N45 I49 P50 E51 | L19-W47 HydrophobicContact CD1-CB 4.26Å; L19-W47 HydrophobicContact CD1-CD2 4.29Å; L19-W47 HydrophobicContact CD1-CE3 3.53Å; L19-W47 HydrophobicContact CD1-CZ3 4.21Å; Y22-W47 HydrophobicContact CD1-CG 4.43Å; Y22-W47 AromaticContact CE1-CD1 3.34Å; Y22-W47 HydrophobicContact CE1-CG 4.1Å; Y22-W47 AromaticContact CE1-NE1 3.57Å; Y22-W47 AromaticContact CZ-CD1 3.97Å; Y22-W47 AromaticContact CZ-NE1 3.76Å; F23-W47 HydrophobicContact CE2-CB 4.31Å; F23-W47 HydrophobicContact CZ-CB 3.85Å; K43-W47 PolarHBondContact O-N 3.47Å; L44-W47 PolarHBondContact O-N 3.05Å; N45-W47 VanDerWaalsContact C-N 3.32Å; N45-W47 PolarHBondContact O-N 3.41Å; W47-I49 VanDerWaalsContact C-N 3.33Å; W47-I49 PolarHBondContact O-N 3.14Å; W47-P50 HydrophobicContact CE3-CB 4.26Å; W47-P50 HydrophobicContact CE3-CG 4.12Å; W47-P50 VanDerWaalsContact O-CD 3.32Å; W47-P50 WeakPolarHBondContact O-CD 3.06Å; W47-E51 PolarHBondContact O-N 3.36Å |
| 48 | V | 84.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.2 | 166.6 | 0 | 0 | 0 | 0 | 112.1 | F23 L44 E51 M52 V95 F96 | F23-V48 HydrophobicContact CE1-CG2 4.22Å; F23-V48 HydrophobicContact CZ-CG2 4.03Å; L44-V48 WeakPolarHBondContact O-CG2 3.33Å; L44-V48 PolarHBondContact O-N 3.48Å; V48-E51 WeakPolarHBondContact O-CB 3.12Å; V48-E51 PolarHBondContact O-N 3.38Å; V48-M52 PolarHBondContact O-N 3.3Å; V48-M52 VanDerWaalsContact O-N 3.14Å; V48-V95 HydrophobicContact CG1-CG2 4.04Å; V48-F96 HydrophobicContact CG2-CD2 4.29Å; V48-F96 HydrophobicContact CG2-CE2 3.75Å |
| 49 | I | 83.6 | Confident | 85.2 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -51.5 | 179.2 | -62.2 | 168.4 | 0 | 0 | 0 | 110.8 | W47 E51 M52 V53 | W47-I49 VanDerWaalsContact C-N 3.33Å; W47-I49 PolarHBondContact O-N 3.14Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 2.59Å; I49-M52 PolarHBondContact O-N 2.88Å; I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CG2 3.41Å; I49-V53 PolarHBondContact O-N 3.33Å |
| 50 | P | 85.6 | Confident | 85.2 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.6 | -40.6 | 171.3 | -28.3 | 32.2 | 0 | 0 | 0 | 114.5 | L19 K46 W47 M52 V53 G54 | L19-P50 HydrophobicContact CD1-CB 4.36Å; K46-P50 WeakPolarHBondContact O-CD 3.32Å; W47-P50 HydrophobicContact CE3-CB 4.26Å; W47-P50 HydrophobicContact CE3-CG 4.12Å; W47-P50 VanDerWaalsContact O-CD 3.32Å; W47-P50 WeakPolarHBondContact O-CD 3.06Å; P50-M52 PolarHBondContact O-N 2.9Å; P50-V53 PolarHBondContact O-N 3.4Å; P50-G54 PolarHBondContact O-N 2.91Å |
| 51 | E | 86.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -51 | 176.9 | -164.9 | -172.5 | 149 | 0 | 0 | 111.5 | L16 L19 F23 W47 V48 I49 V53 G54 Q55 N81 K117 | L16-E51 HydrophobicContact CD2-CG 4.33Å; L19-E51 HydrophobicContact CD2-CB 3.62Å; L19-E51 HydrophobicContact CD2-CG 3.55Å; F23-E51 WeakPolarHBondContact CE2-OE2 3.23Å; W47-E51 PolarHBondContact O-N 3.36Å; V48-E51 WeakPolarHBondContact O-CB 3.12Å; V48-E51 PolarHBondContact O-N 3.38Å; I49-E51 VanDerWaalsContact C-N 3.29Å; I49-E51 PolarHBondContact O-N 2.59Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.88Å; E51-G54 PolarHBondContact O-N 2.84Å; E51-Q55 PolarHBondContact O-N 3.37Å; E51-N81 PolarHBondContact OE1-ND2 3.19Å; E51-N81 VanDerWaalsContact OE1-ND2 3.16Å; E51-K117 IonicContact OE1-NZ 3.72Å; E51-K117 PolarHBondContact OE1-NZ 2.65Å; E51-K117 IonicContact OE2-NZ 2.86Å |
| 52 | M | 85 | Confident | 85.1 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -178.9 | -67.5 | -146.9 | -55.4 | 0 | 0 | 111.4 | V48 I49 P50 Q55 C56 Y85 | V48-M52 PolarHBondContact O-N 3.3Å; V48-M52 VanDerWaalsContact O-N 3.14Å; I49-M52 PolarHBondContact O-N 2.88Å; P50-M52 PolarHBondContact O-N 2.9Å; M52-Q55 PolarHBondContact O-N 3.19Å; M52-C56 WeakPolarHBondContact O-CB 3.46Å; M52-C56 PolarHBondContact O-N 3.24Å; M52-C56 PolarHBondContact O-SG 3.43Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; M52-Y85 HydrophobicContact CE-CD1 4.29Å; M52-Y85 HydrophobicContact CE-CD2 3.54Å; M52-Y85 HydrophobicContact CE-CE2 3.92Å; M52-Y85 HydrophobicContact CE-CG 3.74Å; M52-Y85 HydrophobicContact SD-CD2 4.25Å; M52-Y85 HydrophobicContact SD-CG 4.26Å |
| 53 | V | 87.3 | Confident | 84.9 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 53% | 0.527 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 177 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I49 P50 E51 C56 L57 | I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CG2 3.41Å; I49-V53 PolarHBondContact O-N 3.33Å; P50-V53 PolarHBondContact O-N 3.4Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.88Å; V53-C56 PolarHBondContact O-N 2.96Å; V53-L57 VanDerWaalsContact O-CB 3.23Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.23Å |
| 54 | G | 86.5 | Confident | 84.4 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D12 P50 E51 C56 L57 S58 | D12-G54 VanDerWaalsContact OD2-O 3.07Å; P50-G54 PolarHBondContact O-N 2.91Å; E51-G54 PolarHBondContact O-N 2.84Å; G54-C56 PolarHBondContact O-N 3.41Å; G54-L57 WeakPolarHBondContact O-CB 3.4Å; G54-L57 PolarHBondContact O-N 3.32Å; G54-S58 PolarHBondContact O-N 3.46Å |
| 55 | Q | 86.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.7 | -73.9 | -175.6 | -7.6 | 0 | 0 | 113.7 | L16 E51 M52 L57 S58 M59 V77 N81 H121 | L16-Q55 HydrophobicContact CD1-CG 3.93Å; L16-Q55 HydrophobicContact CD2-CG 4.21Å; E51-Q55 PolarHBondContact O-N 3.37Å; M52-Q55 PolarHBondContact O-N 3.19Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; Q55-S58 PolarHBondContact O-N 2.91Å; Q55-M59 WeakPolarHBondContact O-CB 3.19Å; Q55-M59 PolarHBondContact O-N 3.29Å; Q55-V77 VanDerWaalsContact NE2-CG1 3.32Å; Q55-N81 VanDerWaalsContact CD-ND2 3.29Å; Q55-N81 PolarHBondContact NE2-ND2 3.35Å; Q55-N81 PolarHBondContact OE1-ND2 2.89Å; Q55-H121 PolarHBondContact NE2-CE1 3.45Å; Q55-H121 PolarHBondContact NE2-NE2 3.48Å; Q55-H121 VanDerWaalsContact NE2-NE2 3.16Å |
| 56 | C | 85.6 | Confident | 83.2 | Confident | 55 Ų | 55 | 62 Ų | 62 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 174.4 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | M52 V53 G54 M59 M60 | M52-C56 WeakPolarHBondContact O-CB 3.46Å; M52-C56 PolarHBondContact O-N 3.24Å; M52-C56 PolarHBondContact O-SG 3.43Å; M52-C56 VanDerWaalsContact O-SG 3.38Å; V53-C56 PolarHBondContact O-N 2.96Å; G54-C56 PolarHBondContact O-N 3.41Å; C56-M59 PolarHBondContact O-N 3.45Å; C56-M60 WeakPolarHBondContact O-CB 3.48Å; C56-M60 VanDerWaalsContact O-CG 3.24Å; C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 2.91Å |
| 57 | L | 87.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 176.7 | -177.7 | 146.3 | 0 | 0 | 0 | 111 | V53 G54 Q55 M59 M60 L61 | V53-L57 VanDerWaalsContact O-CB 3.23Å; V53-L57 WeakPolarHBondContact O-CB 3.4Å; V53-L57 PolarHBondContact O-N 3.23Å; G54-L57 WeakPolarHBondContact O-CB 3.4Å; G54-L57 PolarHBondContact O-N 3.32Å; Q55-L57 VanDerWaalsContact C-N 3.32Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 2.84Å; L57-M60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CD2-CD1 3.54Å; L57-L61 HydrophobicContact CD2-CG 4.24Å; L57-L61 HydrophobicContact CG-CD1 4.43Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.37Å |
| 58 | S | 83.5 | Confident | 82.3 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.5 | -44 | 173.6 | -91.8 | 0 | 0 | 0 | 0 | 112.2 | D12 G54 Q55 L61 M62 | D12-S58 PolarHBondContact OD2-OG 3.44Å; G54-S58 PolarHBondContact O-N 3.46Å; Q55-S58 PolarHBondContact O-N 2.91Å; S58-L61 PolarHBondContact O-N 3.09Å; S58-M62 WeakPolarHBondContact O-CG 3.3Å; S58-M62 PolarHBondContact O-N 3.36Å; S58-M62 VanDerWaalsContact O-N 3.13Å |
| 59 | M | 84.1 | Confident | 82.1 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 178 | -170 | 179.4 | 78.7 | 0 | 0 | 112.3 | Q55 C56 L57 M62 L63 F71 A78 | Q55-M59 WeakPolarHBondContact O-CB 3.19Å; Q55-M59 PolarHBondContact O-N 3.29Å; C56-M59 PolarHBondContact O-N 3.45Å; L57-M59 VanDerWaalsContact C-N 3.32Å; L57-M59 PolarHBondContact O-N 2.84Å; M59-M62 PolarHBondContact O-N 2.93Å; M59-L63 WeakPolarHBondContact O-CB 3.45Å; M59-L63 PolarHBondContact O-N 3.23Å; M59-L63 VanDerWaalsContact O-N 3.07Å; M59-F71 HydrophobicContact CE-CE2 4.48Å; M59-F71 HydrophobicContact CG-CD2 3.64Å; M59-F71 HydrophobicContact CG-CE2 3.37Å; M59-F71 HydrophobicContact CG-CZ 4.42Å; M59-F71 HydrophobicContact SD-CE2 3.9Å; M59-F71 HydrophobicContact SD-CZ 4.44Å; M59-A78 HydrophobicContact SD-CB 4.05Å |
| 60 | M | 84.1 | Confident | 81.8 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 176.6 | -74.9 | -68.8 | -70.6 | 0 | 0 | 112.2 | C56 L57 M62 L63 V64 | C56-M60 WeakPolarHBondContact O-CB 3.48Å; C56-M60 VanDerWaalsContact O-CG 3.24Å; C56-M60 WeakPolarHBondContact O-CG 3.18Å; C56-M60 PolarHBondContact O-N 2.91Å; L57-M60 PolarHBondContact O-N 3.38Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 3.27Å; M60-L63 PolarHBondContact O-N 2.75Å; M60-V64 WeakPolarHBondContact O-CG2 3.4Å; M60-V64 PolarHBondContact O-N 2.82Å |
| 61 | L | 81.9 | Confident | 81.6 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.1 | -72.3 | 176.5 | 0 | 0 | 0 | 112.1 | V5 L57 S58 V64 S65 | V5-L61 HydrophobicContact CG1-CB 4.16Å; L57-L61 HydrophobicContact CD2-CD1 3.54Å; L57-L61 HydrophobicContact CD2-CG 4.24Å; L57-L61 HydrophobicContact CG-CD1 4.43Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.37Å; S58-L61 PolarHBondContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-S65 WeakPolarHBondContact O-CB 3.35Å; L61-S65 PolarHBondContact O-N 3.45Å; L61-S65 VanDerWaalsContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 3.04Å |
| 62 | M | 80.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.2 | -30 | 178.1 | -66.8 | -58.8 | 134 | 0 | 0 | 113.2 | V5 F6 S9 S58 M59 M60 S65 M66 H67 I70 | V5-M62 HydrophobicContact CG1-CE 4.02Å; F6-M62 HydrophobicContact CD1-CE 4.41Å; F6-M62 HydrophobicContact CE1-SD 4.38Å; S9-M62 VanDerWaalsContact CB-CE 3.41Å; S58-M62 WeakPolarHBondContact O-CG 3.3Å; S58-M62 PolarHBondContact O-N 3.36Å; S58-M62 VanDerWaalsContact O-N 3.13Å; M59-M62 PolarHBondContact O-N 2.93Å; M60-M62 VanDerWaalsContact C-N 3.32Å; M60-M62 PolarHBondContact O-N 3.27Å; M62-S65 PolarHBondContact O-N 3Å; M62-M66 PolarHBondContact O-N 3.43Å; M62-H67 PolarHBondContact O-N 3.28Å; M62-I70 HydrophobicContact CB-CG2 4.29Å; M62-I70 HydrophobicContact CG-CG2 3.67Å; M62-I70 HydrophobicContact SD-CB 4.49Å; M62-I70 HydrophobicContact SD-CD1 4.47Å; M62-I70 HydrophobicContact SD-CG2 3.8Å |
| 63 | L | 80.4 | Confident | 81.2 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 173.4 | -168.4 | 148.5 | 0 | 0 | 0 | 111.4 | M59 M60 S65 M66 F71 | M59-L63 WeakPolarHBondContact O-CB 3.45Å; M59-L63 PolarHBondContact O-N 3.23Å; M59-L63 VanDerWaalsContact O-N 3.07Å; M60-L63 PolarHBondContact O-N 2.75Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.25Å; L63-M66 PolarHBondContact O-N 3.11Å; L63-F71 HydrophobicContact CB-CD2 4.2Å; L63-F71 HydrophobicContact CB-CE2 4.3Å; L63-F71 HydrophobicContact CD1-CD2 4.36Å; L63-F71 HydrophobicContact CD1-CE2 3.72Å; L63-F71 HydrophobicContact CD1-CZ 4.05Å; L63-F71 HydrophobicContact CG-CE2 4.5Å |
| 64 | V | 76.7 | Confident | 80.9 | Confident | 116 Ų | 116 | 63 Ų | 63 | 70% | 0.703 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.2 | -35.1 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | M60 L61 M66 | M60-V64 WeakPolarHBondContact O-CG2 3.4Å; M60-V64 PolarHBondContact O-N 2.82Å; L61-V64 PolarHBondContact O-N 3.49Å; V64-M66 PolarHBondContact O-N 2.98Å |
| 65 | S | 70.8 | Confident | 80.7 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.3 | 179.3 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | V5 L61 M62 L63 H67 | V5-S65 WeakPolarHBondContact CG1-OG 3.24Å; L61-S65 WeakPolarHBondContact O-CB 3.35Å; L61-S65 PolarHBondContact O-N 3.45Å; L61-S65 VanDerWaalsContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 3.04Å; M62-S65 PolarHBondContact O-N 3Å; L63-S65 VanDerWaalsContact C-N 3.28Å; L63-S65 PolarHBondContact O-N 3.25Å; S65-H67 WeakPolarHBondContact CB-ND1 3.45Å; S65-H67 PolarHBondContact O-CE1 3.38Å; S65-H67 PolarHBondContact O-N 3.06Å; S65-H67 VanDerWaalsContact O-N 3.08Å; S65-H67 PolarHBondContact O-ND1 2.94Å |
| 66 | M | 74.8 | Confident | 80.4 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 66% | 0.66 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 24.9 | -178.5 | -71.1 | -73 | -172.8 | 0 | 0 | 114.8 | M62 L63 V64 W68 | M62-M66 PolarHBondContact O-N 3.43Å; L63-M66 PolarHBondContact O-N 3.11Å; V64-M66 PolarHBondContact O-N 2.98Å; M66-W68 PolarHBondContact O-N 3.34Å; M66-W68 VanDerWaalsContact O-N 3.13Å; M66-W68 HydrophobicContact SD-CZ2 4.09Å |
| 67 | H | 77 | Confident | 80.3 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | trans | -89.2 | 74.3 | 178.1 | -75.9 | 78 | 0 | 0 | 0 | 110.6 | E2 F6 M62 S65 F69 I70 F71 | E2-H67 IonicContact OE1-CE1 2.74Å; E2-H67 IonicContact OE2-CE1 3.79Å; F6-H67 AromaticContact CZ-CD2 3.84Å; F6-H67 AromaticContact CZ-CE1 3.74Å; F6-H67 AromaticContact CZ-NE2 3.51Å; M62-H67 PolarHBondContact O-N 3.28Å; S65-H67 WeakPolarHBondContact CB-ND1 3.45Å; S65-H67 PolarHBondContact O-CE1 3.38Å; S65-H67 PolarHBondContact O-N 3.06Å; S65-H67 VanDerWaalsContact O-N 3.08Å; S65-H67 PolarHBondContact O-ND1 2.94Å; H67-F69 VanDerWaalsContact C-N 3.29Å; H67-F69 PolarHBondContact O-N 3.39Å; H67-I70 HydrophobicContact CB-CB 4.36Å; H67-I70 HydrophobicContact CB-CD1 4.29Å; H67-I70 PolarHBondContact O-N 3.34Å; H67-F71 PolarHBondContact O-N 3.38Å | ||
| 68 | W | 76.6 | Confident | 80 | Confident | 174 Ų | 174 | 64.6 Ų | 64.6 | 66% | 0.659 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.9 | -36.9 | -173.3 | -66.8 | 88.3 | 0 | 0 | 0 | 114.5 | M66 F71 L72 | M66-W68 PolarHBondContact O-N 3.34Å; M66-W68 VanDerWaalsContact O-N 3.13Å; M66-W68 HydrophobicContact SD-CZ2 4.09Å; W68-F71 PolarHBondContact O-N 2.87Å; W68-L72 WeakPolarHBondContact O-CB 3.33Å; W68-L72 PolarHBondContact O-N 3.08Å |
| 69 | F | 78.8 | Confident | 79.9 | Confident | 157 Ų | 157 | 67 Ų | 67 | 69% | 0.689 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | -180 | -176.7 | -98.6 | 0 | 0 | 0 | 112.1 | H67 L72 L73 | H67-F69 VanDerWaalsContact C-N 3.29Å; H67-F69 PolarHBondContact O-N 3.39Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L73 PolarHBondContact O-N 3.24Å; F69-L73 VanDerWaalsContact O-N 3.08Å |
| 70 | I | 78.9 | Confident | 79.8 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 179 | -67.9 | 175.8 | 0 | 0 | 0 | 110.8 | F6 M62 H67 L73 N74 I127 Y128 | F6-I70 HydrophobicContact CE1-CD1 4.08Å; M62-I70 HydrophobicContact CB-CG2 4.29Å; M62-I70 HydrophobicContact CG-CG2 3.67Å; M62-I70 HydrophobicContact SD-CB 4.49Å; M62-I70 HydrophobicContact SD-CD1 4.47Å; M62-I70 HydrophobicContact SD-CG2 3.8Å; H67-I70 HydrophobicContact CB-CB 4.36Å; H67-I70 HydrophobicContact CB-CD1 4.29Å; H67-I70 PolarHBondContact O-N 3.34Å; I70-L73 WeakPolarHBondContact O-CB 3.29Å; I70-L73 PolarHBondContact O-N 2.9Å; I70-N74 PolarHBondContact O-N 3.42Å; I70-N74 VanDerWaalsContact O-N 3.15Å; I70-N74 PolarHBondContact O-ND2 3.29Å; I70-I127 HydrophobicContact CG1-CG2 4.37Å; I70-Y128 HydrophobicContact CG2-CD1 4.41Å; I70-Y128 HydrophobicContact CG2-CE1 3.52Å |
| 71 | F | 80.9 | Confident | 79.7 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.6 | 174.4 | -96.5 | 0 | 0 | 0 | 111.7 | M59 L63 H67 W68 L73 N74 M75 | M59-F71 HydrophobicContact CE-CE2 4.48Å; M59-F71 HydrophobicContact CG-CD2 3.64Å; M59-F71 HydrophobicContact CG-CE2 3.37Å; M59-F71 HydrophobicContact CG-CZ 4.42Å; M59-F71 HydrophobicContact SD-CE2 3.9Å; M59-F71 HydrophobicContact SD-CZ 4.44Å; L63-F71 HydrophobicContact CB-CD2 4.2Å; L63-F71 HydrophobicContact CB-CE2 4.3Å; L63-F71 HydrophobicContact CD1-CD2 4.36Å; L63-F71 HydrophobicContact CD1-CE2 3.72Å; L63-F71 HydrophobicContact CD1-CZ 4.05Å; L63-F71 HydrophobicContact CG-CE2 4.5Å; H67-F71 PolarHBondContact O-N 3.38Å; W68-F71 PolarHBondContact O-N 2.87Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 2.88Å; F71-N74 PolarHBondContact O-N 3.43Å; F71-N74 VanDerWaalsContact O-N 3.17Å; F71-M75 HydrophobicContact CD1-CE 4.4Å; F71-M75 HydrophobicContact CE1-CE 3.57Å; F71-M75 HydrophobicContact CZ-CE 4.17Å; F71-M75 PolarHBondContact O-N 3.28Å |
| 72 | L | 80.8 | Confident | 79.6 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 55% | 0.55 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -36 | 175.4 | -96 | 156.5 | 0 | 0 | 0 | 112.6 | W68 F69 P76 | W68-L72 WeakPolarHBondContact O-CB 3.33Å; W68-L72 PolarHBondContact O-N 3.08Å; F69-L72 PolarHBondContact O-N 2.99Å; L72-P76 WeakPolarHBondContact O-CD 3.43Å |
| 73 | L | 81.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.3 | -167.3 | 70.6 | 0 | 0 | 0 | 111.7 | F69 I70 F71 P76 Y120 I127 | F69-L73 PolarHBondContact O-N 3.24Å; F69-L73 VanDerWaalsContact O-N 3.08Å; I70-L73 WeakPolarHBondContact O-CB 3.29Å; I70-L73 PolarHBondContact O-N 2.9Å; F71-L73 VanDerWaalsContact C-N 3.26Å; F71-L73 PolarHBondContact O-N 2.88Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-P76 WeakPolarHBondContact O-CG 3.43Å; L73-Y120 HydrophobicContact CG-CE2 4.15Å; L73-Y120 PolarHBondContact O-OH 2.96Å; L73-I127 HydrophobicContact CD2-CD1 3.51Å |
| 74 | N | 81.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 10% | 0.096 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.4 | -26.9 | -178.9 | -77 | -75.4 | 0 | 0 | 0 | 114.6 | I70 F71 V77 A78 Y120 Y128 | I70-N74 PolarHBondContact O-N 3.42Å; I70-N74 VanDerWaalsContact O-N 3.15Å; I70-N74 PolarHBondContact O-ND2 3.29Å; F71-N74 PolarHBondContact O-N 3.43Å; F71-N74 VanDerWaalsContact O-N 3.17Å; N74-V77 PolarHBondContact O-N 3.31Å; N74-A78 PolarHBondContact O-N 3.16Å; N74-A78 VanDerWaalsContact O-N 3.09Å; N74-Y120 WeakPolarHBondContact CA-OH 3.39Å; N74-Y120 PolarHBondContact N-OH 3.47Å; N74-Y120 PolarHBondContact OD1-OH 3.38Å; N74-Y128 PolarHBondContact ND2-OH 2.8Å; N74-Y128 PolarHBondContact OD1-OH 2.72Å |
| 75 | M | 81.3 | Confident | 79.3 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 42% | 0.419 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.2 | -48.7 | 179.1 | -170 | -166.8 | -78.9 | 0 | 0 | 114.5 | F71 V77 A78 A79 | F71-M75 HydrophobicContact CD1-CE 4.4Å; F71-M75 HydrophobicContact CE1-CE 3.57Å; F71-M75 HydrophobicContact CZ-CE 4.17Å; F71-M75 PolarHBondContact O-N 3.28Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 3.16Å; M75-A78 PolarHBondContact O-N 3.41Å; M75-A79 WeakPolarHBondContact O-CB 3.48Å; M75-A79 PolarHBondContact O-N 2.74Å |
| 76 | P | 81.8 | Confident | 79.4 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | -178.6 | 21.3 | -34.6 | 0 | 0 | 0 | 113.5 | L72 L73 W80 | L72-P76 WeakPolarHBondContact O-CD 3.43Å; L73-P76 WeakPolarHBondContact O-CD 3.33Å; L73-P76 WeakPolarHBondContact O-CG 3.43Å; P76-W80 WeakPolarHBondContact O-CB 3.47Å; P76-W80 PolarHBondContact O-N 3.31Å |
| 77 | V | 82 | Confident | 79.2 | Confident | 24 Ų | 24 | 76.5 Ų | 76.5 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.3 | -43 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 111 | Q55 N74 M75 W80 N81 Y120 | Q55-V77 VanDerWaalsContact NE2-CG1 3.32Å; N74-V77 PolarHBondContact O-N 3.31Å; M75-V77 VanDerWaalsContact C-N 3.33Å; M75-V77 PolarHBondContact O-N 3.16Å; V77-W80 PolarHBondContact O-N 2.84Å; V77-N81 PolarHBondContact O-N 2.95Å; V77-Y120 HydrophobicContact CB-CD1 4.35Å; V77-Y120 HydrophobicContact CB-CE1 4.09Å; V77-Y120 HydrophobicContact CG1-CD1 4.44Å; V77-Y120 HydrophobicContact CG1-CE1 4.49Å; V77-Y120 HydrophobicContact CG2-CD1 3.56Å; V77-Y120 HydrophobicContact CG2-CD2 3.8Å; V77-Y120 HydrophobicContact CG2-CE1 3.55Å; V77-Y120 HydrophobicContact CG2-CE2 3.8Å; V77-Y120 HydrophobicContact CG2-CG 3.7Å |
| 78 | A | 80.4 | Confident | 78.6 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M59 N74 M75 W80 N81 I82 | M59-A78 HydrophobicContact SD-CB 4.05Å; N74-A78 PolarHBondContact O-N 3.16Å; N74-A78 VanDerWaalsContact O-N 3.09Å; M75-A78 PolarHBondContact O-N 3.41Å; A78-W80 VanDerWaalsContact C-N 3.34Å; A78-W80 PolarHBondContact O-N 3.3Å; A78-N81 PolarHBondContact O-N 2.74Å; A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.18Å; A78-I82 PolarHBondContact O-N 3.35Å |
| 79 | A | 82.9 | Confident | 77.7 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | M75 I82 Y83 | M75-A79 WeakPolarHBondContact O-CB 3.48Å; M75-A79 PolarHBondContact O-N 2.74Å; A79-I82 PolarHBondContact O-N 3.38Å; A79-Y83 VanDerWaalsContact O-CB 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 2.94Å |
| 80 | W | 82.4 | Confident | 76 | Confident | 120 Ų | 120 | 74 Ų | 74 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.3 | -175.5 | -99.7 | 0 | 0 | 0 | 112.1 | P76 V77 A78 Y83 R84 | P76-W80 WeakPolarHBondContact O-CB 3.47Å; P76-W80 PolarHBondContact O-N 3.31Å; V77-W80 PolarHBondContact O-N 2.84Å; A78-W80 VanDerWaalsContact C-N 3.34Å; A78-W80 PolarHBondContact O-N 3.3Å; W80-Y83 PolarHBondContact O-N 2.95Å; W80-R84 WeakPolarHBondContact O-CB 3.49Å; W80-R84 WeakPolarHBondContact O-CG 3.4Å; W80-R84 PolarHBondContact O-N 2.94Å |
| 81 | N | 81.8 | Confident | 74.6 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.064 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178 | -86.7 | -12.6 | 0 | 0 | 0 | 112.3 | E51 Q55 V77 A78 R84 Y85 K117 | E51-N81 PolarHBondContact OE1-ND2 3.19Å; E51-N81 VanDerWaalsContact OE1-ND2 3.16Å; Q55-N81 VanDerWaalsContact CD-ND2 3.29Å; Q55-N81 PolarHBondContact NE2-ND2 3.35Å; Q55-N81 PolarHBondContact OE1-ND2 2.89Å; V77-N81 PolarHBondContact O-N 2.95Å; A78-N81 PolarHBondContact O-N 2.74Å; N81-R84 PolarHBondContact O-N 3.47Å; N81-Y85 PolarHBondContact O-N 2.98Å; N81-K117 WeakPolarHBondContact OD1-CE 3.48Å; N81-K117 PolarHBondContact OD1-NZ 3.26Å |
| 82 | I | 79.2 | Confident | 73.6 | Confident | 86 Ų | 86 | 78 Ų | 78 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 173.6 | -66.6 | 163.9 | 0 | 0 | 0 | 110.8 | A78 A79 R84 Y85 V86 | A78-I82 VanDerWaalsContact O-CG1 3.26Å; A78-I82 WeakPolarHBondContact O-CG1 3.18Å; A78-I82 PolarHBondContact O-N 3.35Å; A79-I82 PolarHBondContact O-N 3.38Å; I82-R84 VanDerWaalsContact C-N 3.26Å; I82-R84 PolarHBondContact O-N 2.98Å; I82-Y85 PolarHBondContact O-N 2.89Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.1Å; I82-V86 PolarHBondContact O-N 3.49Å |
| 83 | Y | 81.4 | Confident | 72.5 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 177.6 | 174.8 | -101.5 | 0 | 0 | 0 | 111.4 | A79 W80 V86 K87 | A79-Y83 VanDerWaalsContact O-CB 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.46Å; A79-Y83 PolarHBondContact O-N 2.94Å; W80-Y83 PolarHBondContact O-N 2.95Å; Y83-V86 PolarHBondContact O-N 3.3Å; Y83-K87 HydrophobicContact CE1-CD 3.78Å; Y83-K87 HydrophobicContact CE2-CD 4.48Å; Y83-K87 VanDerWaalsContact O-CB 3.29Å; Y83-K87 WeakPolarHBondContact O-CB 3.43Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CD 3.34Å; Y83-K87 WeakPolarHBondContact OH-CE 3.38Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å |
| 84 | R | 75.8 | Confident | 71.6 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 23% | 0.226 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.1 | -77.4 | -70.6 | -69.9 | -108.9 | -24.2 | 112.9 | W80 N81 I82 I88 Y110 E113 | W80-R84 WeakPolarHBondContact O-CB 3.49Å; W80-R84 WeakPolarHBondContact O-CG 3.4Å; W80-R84 PolarHBondContact O-N 2.94Å; N81-R84 PolarHBondContact O-N 3.47Å; I82-R84 VanDerWaalsContact C-N 3.26Å; I82-R84 PolarHBondContact O-N 2.98Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-Y110 VanDerWaalsContact NH2-CE1 3.25Å; R84-E113 IonicContact CZ-OE1 3.82Å; R84-E113 IonicContact CZ-OE2 3.19Å; R84-E113 IonicContact NH1-OE1 2.75Å; R84-E113 PolarHBondContact NH1-OE1 2.9Å; R84-E113 IonicContact NH1-OE2 2.82Å; R84-E113 PolarHBondContact NH1-OE2 2.86Å; R84-E113 IonicContact NH2-OE2 3.73Å; R84-E113 PolarHBondContact NH2-OE2 3.22Å |
| 85 | Y | 74.4 | Confident | 70.7 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 176.9 | -169.7 | -96.7 | 0 | 0 | 0 | 112.5 | M52 N81 I82 I88 | M52-Y85 HydrophobicContact CE-CD1 4.29Å; M52-Y85 HydrophobicContact CE-CD2 3.54Å; M52-Y85 HydrophobicContact CE-CE2 3.92Å; M52-Y85 HydrophobicContact CE-CG 3.74Å; M52-Y85 HydrophobicContact SD-CD2 4.25Å; M52-Y85 HydrophobicContact SD-CG 4.26Å; N81-Y85 PolarHBondContact O-N 2.98Å; I82-Y85 PolarHBondContact O-N 2.89Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; Y85-I88 HydrophobicContact CD2-CD1 3.97Å; Y85-I88 HydrophobicContact CE2-CD1 4.32Å; Y85-I88 HydrophobicContact CG-CD1 4.36Å; Y85-I88 WeakPolarHBondContact O-CD1 3.44Å; Y85-I88 WeakPolarHBondContact O-CG1 3.37Å |
| 86 | V | 73.4 | Confident | 69.8 | Low | 111 Ų | 111 | 74.4 Ų | 74.4 | 67% | 0.673 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.9 | -31.3 | 179.6 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | I82 Y83 I88 | I82-V86 HydrophobicContact CG2-CG2 4.26Å; I82-V86 WeakPolarHBondContact O-CG2 3.1Å; I82-V86 PolarHBondContact O-N 3.49Å; Y83-V86 PolarHBondContact O-N 3.3Å; V86-I88 PolarHBondContact O-N 3.33Å |
| 87 | K | 69.3 | Low | 69.3 | Low | 136 Ų | 136 | 71.3 Ų | 71.3 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 4.7 | -179.9 | -157.7 | 179.6 | -176.6 | 177.3 | 0 | 113.8 | Y83 P89 | Y83-K87 HydrophobicContact CE1-CD 3.78Å; Y83-K87 HydrophobicContact CE2-CD 4.48Å; Y83-K87 VanDerWaalsContact O-CB 3.29Å; Y83-K87 WeakPolarHBondContact O-CB 3.43Å; Y83-K87 PolarHBondContact O-N 2.96Å; Y83-K87 WeakPolarHBondContact OH-CD 3.34Å; Y83-K87 WeakPolarHBondContact OH-CE 3.38Å; Y83-K87 PolarHBondContact OH-NZ 3.34Å; K87-P89 WeakPolarHBondContact O-CD 3.36Å |
| 88 | I | 64.8 | Low | 68.5 | Low | 47 Ų | 47 | 71.5 Ų | 71.5 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | trans | -65.1 | 120.9 | 176 | -57.4 | 167.5 | 0 | 0 | 0 | 108.3 | R84 Y85 V86 M90 N92 V95 | R84-I88 WeakPolarHBondContact O-CG1 3.42Å; Y85-I88 HydrophobicContact CD2-CD1 3.97Å; Y85-I88 HydrophobicContact CE2-CD1 4.32Å; Y85-I88 HydrophobicContact CG-CD1 4.36Å; Y85-I88 WeakPolarHBondContact O-CD1 3.44Å; Y85-I88 WeakPolarHBondContact O-CG1 3.37Å; V86-I88 PolarHBondContact O-N 3.33Å; I88-M90 PolarHBondContact O-N 3.22Å; I88-N92 HydrophobicContact CG2-CB 4.2Å; I88-V95 HydrophobicContact CD1-CG2 3.49Å; I88-V95 VanDerWaalsContact CD1-CG2 3.49Å; I88-V95 HydrophobicContact CG1-CG2 4.14Å | ||
| 89 | P | 58.1 | Low | 67.8 | Low | 76 Ų | 76 | 76.8 Ų | 76.8 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | trans | -63.4 | 134.3 | 176 | 24.7 | -31.1 | 0 | 0 | 0 | 110.2 | K87 G91 N92 | K87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-G91 PolarHBondContact O-N 3.27Å; P89-N92 HydrophobicContact CG-CB 4.41Å; P89-N92 PolarHBondContact O-N 3.37Å | ||
| 90 | M | 43.6 | Very low | 67.1 | Low | 209 Ų | 209 | 78 Ų | 78 | 100% | 1.03 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 95.9 | 176.3 | -71.4 | -171.2 | 157.3 | 0 | 0 | 109.5 | I88 | I88-M90 PolarHBondContact O-N 3.22Š|
| 91 | G | 49.6 | Very low | 66.4 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 148.9 | -19.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P89 | P89-G91 PolarHBondContact O-N 3.27Š|
| 92 | N | 59.2 | Low | 65.7 | Low | 46 Ų | 46 | 78.4 Ų | 78.4 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | trans | -75.1 | 148.3 | 176.2 | -104.3 | 11.6 | 0 | 0 | 0 | 112.1 | I88 P89 G94 D97 E100 | I88-N92 HydrophobicContact CG2-CB 4.2Å; P89-N92 HydrophobicContact CG-CB 4.41Å; P89-N92 PolarHBondContact O-N 3.37Å; N92-G94 PolarHBondContact O-N 2.88Å; N92-G94 VanDerWaalsContact O-N 3.08Å; N92-D97 PolarHBondContact OD1-OD2 3.15Å; N92-E100 PolarHBondContact ND2-OE2 3.31Å | ||
| 93 | M | 58.2 | Low | 65.6 | Low | 127 Ų | 127 | 78.9 Ų | 78.9 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -72.1 | 5.6 | 176 | -76.4 | -174.9 | -87.1 | 0 | 0 | 114.1 | D97 P98 | M93-D97 PolarHBondContact N-OD2 3.08Å; M93-D97 VanDerWaalsContact N-OD2 3.1Å; M93-P98 HydrophobicContact CE-CG 3.74Å |
| 94 | G | 62.2 | Low | 65 | Low | 11 Ų | 11 | 83 Ų | 83 | 11% | 0.113 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 152.7 | -167 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N92 F96 | N92-G94 PolarHBondContact O-N 2.88Å; N92-G94 VanDerWaalsContact O-N 3.08Å; G94-F96 PolarHBondContact O-N 3.21Å |
| 95 | V | 62.5 | Low | 65 | Low | 25 Ų | 25 | 82.5 Ų | 82.5 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -62.5 | -27.6 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | N45 V48 I88 | N45-V95 PolarHBondContact OD1-N 3.3Å; V48-V95 HydrophobicContact CG1-CG2 4.04Å; I88-V95 HydrophobicContact CD1-CG2 3.49Å; I88-V95 VanDerWaalsContact CD1-CG2 3.49Å; I88-V95 HydrophobicContact CG1-CG2 4.14Å |
| 96 | F | 62.7 | Low | 65.1 | Low | 20 Ų | 20 | 79.7 Ų | 79.7 | 9% | 0.088 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -117.2 | 116.6 | 178.2 | -62.4 | -83.3 | 0 | 0 | 0 | 109.2 | F23 C41 L44 V48 G94 I101 Y110 | F23-F96 HydrophobicContact CE1-CE2 4.28Å; C41-F96 HydrophobicContact CB-CB 4.21Å; C41-F96 WeakPolarHBondContact CB-O 3.27Å; L44-F96 HydrophobicContact CB-CD2 3.69Å; L44-F96 HydrophobicContact CB-CE2 3.97Å; L44-F96 HydrophobicContact CB-CG 4.25Å; L44-F96 HydrophobicContact CD2-CD1 3.97Å; L44-F96 HydrophobicContact CD2-CD2 4Å; L44-F96 HydrophobicContact CD2-CE1 3.89Å; L44-F96 HydrophobicContact CD2-CE2 3.91Å; L44-F96 HydrophobicContact CD2-CG 4.02Å; L44-F96 HydrophobicContact CD2-CZ 3.85Å; L44-F96 HydrophobicContact CG-CD2 4.42Å; L44-F96 HydrophobicContact CG-CE2 4.36Å; V48-F96 HydrophobicContact CG2-CD2 4.29Å; V48-F96 HydrophobicContact CG2-CE2 3.75Å; G94-F96 PolarHBondContact O-N 3.21Å; F96-I101 HydrophobicContact CB-CD1 4.4Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; F96-Y110 HydrophobicContact CE1-CD1 4.1Å; F96-Y110 HydrophobicContact CE1-CE1 4.45Å; F96-Y110 HydrophobicContact CE1-CG 4.18Å |
| 97 | D | 71.6 | Confident | 65.4 | Low | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.059 | 41% | 0.408 | C | S | . | . | trans | -103.4 | 130.2 | 175.5 | -155.1 | -63.9 | 0 | 0 | 0 | 111.5 | N92 M93 T99 E100 I101 | N92-D97 PolarHBondContact OD1-OD2 3.15Å; M93-D97 PolarHBondContact N-OD2 3.08Å; M93-D97 VanDerWaalsContact N-OD2 3.1Å; D97-T99 PolarHBondContact O-N 3.1Å; D97-T99 PolarHBondContact OD1-N 3.5Å; D97-T99 PolarHBondContact OD1-OG1 2.77Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å; D97-E100 HydrophobicContact CB-CG 4.41Å; D97-E100 PolarHBondContact O-N 3.37Å; D97-E100 VanDerWaalsContact O-N 3.15Å; D97-I101 PolarHBondContact O-N 2.95Å; D97-I101 VanDerWaalsContact O-N 3.1Å | ||
| 98 | P | 64.1 | Low | 66 | Low | 29 Ų | 29 | 75 Ų | 75 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.5 | -179.8 | 22.3 | -35.3 | 0 | 0 | 0 | 114.5 | A37 M93 | A37-P98 HydrophobicContact CB-CB 4.17Å; M93-P98 HydrophobicContact CE-CG 3.74Å |
| 99 | T | 66.9 | Low | 66.9 | Low | 117 Ų | 117 | 75.6 Ų | 75.6 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -28.7 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 113 | D97 | D97-T99 PolarHBondContact O-N 3.1Å; D97-T99 PolarHBondContact OD1-N 3.5Å; D97-T99 PolarHBondContact OD1-OG1 2.77Å; D97-T99 VanDerWaalsContact OD1-OG1 3.1Å |
| 100 | E | 67.4 | Low | 68 | Low | 79 Ų | 79 | 73.3 Ų | 73.3 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -28.9 | -177.8 | -61.6 | -171.9 | 98.8 | 0 | 0 | 112.3 | N92 D97 H102 N103 | N92-E100 PolarHBondContact ND2-OE2 3.31Å; D97-E100 HydrophobicContact CB-CG 4.41Å; D97-E100 PolarHBondContact O-N 3.37Å; D97-E100 VanDerWaalsContact O-N 3.15Å; E100-H102 VanDerWaalsContact C-N 3.3Å; E100-H102 PolarHBondContact O-N 2.84Å; E100-N103 WeakPolarHBondContact O-CB 3.38Å; E100-N103 PolarHBondContact O-N 2.91Å |
| 101 | I | 69 | Low | 70 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.9 | -172.2 | -151.4 | 160.9 | 0 | 0 | 0 | 114.2 | L27 L30 A37 F96 D97 N103 L107 | L27-I101 HydrophobicContact CD2-CD1 4.21Å; L30-I101 HydrophobicContact CD2-CB 4.41Å; L30-I101 HydrophobicContact CD2-CD1 3.74Å; L30-I101 HydrophobicContact CD2-CG1 3.7Å; L30-I101 HydrophobicContact CD2-CG2 3.9Å; A37-I101 HydrophobicContact CB-CG2 3.73Å; F96-I101 HydrophobicContact CB-CD1 4.4Å; F96-I101 HydrophobicContact CD1-CD1 4.01Å; D97-I101 PolarHBondContact O-N 2.95Å; D97-I101 VanDerWaalsContact O-N 3.1Å; I101-N103 PolarHBondContact O-N 3Å; I101-L107 HydrophobicContact CG1-CD1 4.25Å |
| 102 | H | 67.1 | Low | 71.7 | Confident | 137 Ų | 137 | 68 Ų | 68 | 63% | 0.634 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | 177 | -158.6 | 73.6 | 0 | 0 | 0 | 112.7 | E100 R104 | E100-H102 VanDerWaalsContact C-N 3.3Å; E100-H102 PolarHBondContact O-N 2.84Å; H102-R104 PolarHBondContact O-N 2.86Å; H102-R104 VanDerWaalsContact O-N 3.12Å |
| 103 | N | 75.4 | Confident | 73 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -71.4 | 109.8 | 173 | -170 | -3.7 | 0 | 0 | 0 | 109.6 | E100 I101 G105 L106 L107 | E100-N103 WeakPolarHBondContact O-CB 3.38Å; E100-N103 PolarHBondContact O-N 2.91Å; I101-N103 PolarHBondContact O-N 3Å; N103-G105 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact OD1-N 3.35Å; N103-L106 HydrophobicContact CB-CB 4.41Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 PolarHBondContact O-N 3.47Å; N103-L107 PolarHBondContact O-N 3.25Å; N103-L107 VanDerWaalsContact O-N 3.08Å |
| 104 | R | 70.4 | Confident | 74.3 | Confident | 205 Ų | 205 | 62.2 Ų | 62.2 | 77% | 0.774 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -52.5 | -29 | -177 | -70.1 | -173.2 | 176.2 | -166.9 | -3.2 | 113.7 | H102 K108 | H102-R104 PolarHBondContact O-N 2.86Å; H102-R104 VanDerWaalsContact O-N 3.12Å; R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.38Å |
| 105 | G | 74.8 | Confident | 75.6 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N103 S109 | N103-G105 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact OD1-N 3.35Å; G105-S109 PolarHBondContact O-N 3.31Å |
| 106 | L | 75.9 | Confident | 76.8 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 178.3 | -86.7 | 136.5 | 0 | 0 | 0 | 111.4 | N103 K108 S109 Y110 | N103-L106 HydrophobicContact CB-CB 4.41Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 PolarHBondContact O-N 3.47Å; L106-K108 PolarHBondContact O-N 3Å; L106-S109 WeakPolarHBondContact O-CA 3.43Å; L106-S109 VanDerWaalsContact O-CB 3.31Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 3.35Å; L106-Y110 HydrophobicContact CB-CE2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 4.14Å; L106-Y110 WeakPolarHBondContact O-CD2 3.4Å; L106-Y110 PolarHBondContact O-N 3.28Å |
| 107 | L | 80.2 | Confident | 78 | Confident | 14 Ų | 14 | 71.8 Ų | 71.8 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 177.1 | -174.6 | 62.7 | 0 | 0 | 0 | 112 | L27 L30 E31 I101 N103 S109 Y110 M111 | L27-L107 HydrophobicContact CD2-CD1 3.91Å; L30-L107 HydrophobicContact CD2-CD1 4.16Å; E31-L107 HydrophobicContact CB-CD2 3.85Å; E31-L107 HydrophobicContact CG-CD2 4.21Å; I101-L107 HydrophobicContact CG1-CD1 4.25Å; N103-L107 PolarHBondContact O-N 3.25Å; N103-L107 VanDerWaalsContact O-N 3.08Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.49Å; L107-Y110 PolarHBondContact O-N 2.97Å; L107-M111 PolarHBondContact O-N 3.47Å |
| 108 | K | 81.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 73 Ų | 73 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -34.8 | 175.1 | -74.6 | -173.3 | 178 | -170.3 | 0 | 112.7 | R104 L106 K112 | R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.38Å; L106-K108 PolarHBondContact O-N 3Å; K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.1Å |
| 109 | S | 83.3 | Confident | 80.1 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 174.5 | -165.2 | 0 | 0 | 0 | 0 | 111.3 | G105 L106 L107 K112 E113 | G105-S109 PolarHBondContact O-N 3.31Å; L106-S109 WeakPolarHBondContact O-CA 3.43Å; L106-S109 VanDerWaalsContact O-CB 3.31Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 3.35Å; L107-S109 VanDerWaalsContact C-N 3.27Å; L107-S109 PolarHBondContact O-N 3.49Å; S109-K112 PolarHBondContact O-N 2.82Å; S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 2.75Å |
| 110 | Y | 83.1 | Confident | 81.1 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 11% | 0.114 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.1 | -66.1 | -51.4 | 0 | 0 | 0 | 112.6 | R84 F96 L106 L107 E113 A114 | R84-Y110 VanDerWaalsContact NH2-CE1 3.25Å; F96-Y110 HydrophobicContact CE1-CD1 4.1Å; F96-Y110 HydrophobicContact CE1-CE1 4.45Å; F96-Y110 HydrophobicContact CE1-CG 4.18Å; L106-Y110 HydrophobicContact CB-CE2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 4.14Å; L106-Y110 WeakPolarHBondContact O-CD2 3.4Å; L106-Y110 PolarHBondContact O-N 3.28Å; L107-Y110 PolarHBondContact O-N 2.97Å; Y110-E113 PolarHBondContact O-N 2.92Å; Y110-A114 WeakPolarHBondContact O-CB 3.15Å; Y110-A114 PolarHBondContact O-N 2.78Å |
| 111 | M | 84.4 | Confident | 82.1 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.1 | -70.9 | -157.1 | 83.9 | 0 | 0 | 112 | I24 L27 E31 L107 E113 A114 M115 | I24-M111 HydrophobicContact CG2-CE 4.01Å; L27-M111 HydrophobicContact CB-CE 4.38Å; L27-M111 HydrophobicContact CB-CG 3.9Å; L27-M111 HydrophobicContact CB-SD 4.43Å; L27-M111 HydrophobicContact CD1-CG 4.24Å; E31-M111 VanDerWaalsContact OE2-SD 3.4Å; L107-M111 PolarHBondContact O-N 3.47Å; M111-E113 VanDerWaalsContact C-N 3.34Å; M111-E113 PolarHBondContact O-N 2.95Å; M111-A114 PolarHBondContact O-N 2.97Å; M111-M115 WeakPolarHBondContact O-CB 3.38Å; M111-M115 VanDerWaalsContact O-CG 3.26Å; M111-M115 WeakPolarHBondContact O-CG 3.38Å; M111-M115 PolarHBondContact O-N 3.02Å |
| 112 | K | 85.7 | Confident | 83.1 | Confident | 145 Ų | 145 | 70 Ų | 70 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 176.5 | -173.7 | 178.8 | 177 | -176.3 | 0 | 111.6 | K108 S109 M115 I116 | K108-K112 WeakPolarHBondContact O-CB 3.26Å; K108-K112 PolarHBondContact O-N 3.1Å; S109-K112 PolarHBondContact O-N 2.82Å; K112-M115 PolarHBondContact O-N 2.96Å; K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 VanDerWaalsContact O-CG1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.49Å; K112-I116 PolarHBondContact O-N 3.18Å |
| 113 | E | 85.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 174.3 | -75.2 | 175.5 | 177.4 | 0 | 0 | 112 | R84 S109 Y110 M111 M115 I116 K117 | R84-E113 IonicContact CZ-OE1 3.82Å; R84-E113 IonicContact CZ-OE2 3.19Å; R84-E113 IonicContact NH1-OE1 2.75Å; R84-E113 PolarHBondContact NH1-OE1 2.9Å; R84-E113 IonicContact NH1-OE2 2.82Å; R84-E113 PolarHBondContact NH1-OE2 2.86Å; R84-E113 IonicContact NH2-OE2 3.73Å; R84-E113 PolarHBondContact NH2-OE2 3.22Å; S109-E113 WeakPolarHBondContact O-CG 3.36Å; S109-E113 PolarHBondContact O-N 2.75Å; Y110-E113 PolarHBondContact O-N 2.92Å; M111-E113 VanDerWaalsContact C-N 3.34Å; M111-E113 PolarHBondContact O-N 2.95Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.18Å; E113-I116 PolarHBondContact O-N 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.14Å |
| 114 | A | 86.5 | Confident | 84.8 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I24 Y110 M111 K117 L118 | I24-A114 HydrophobicContact CG1-CB 3.73Å; Y110-A114 WeakPolarHBondContact O-CB 3.15Å; Y110-A114 PolarHBondContact O-N 2.78Å; M111-A114 PolarHBondContact O-N 2.97Å; A114-K117 PolarHBondContact O-N 3.23Å; A114-L118 WeakPolarHBondContact O-CB 3.26Å; A114-L118 PolarHBondContact O-N 3.15Å |
| 115 | M | 88.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.4 | -74.6 | -72.4 | -71.7 | 0 | 0 | 112.5 | I24 M111 K112 E113 L118 G119 | I24-M115 HydrophobicContact CD1-CG 4.31Å; I24-M115 HydrophobicContact CD1-SD 3.77Å; M111-M115 WeakPolarHBondContact O-CB 3.38Å; M111-M115 VanDerWaalsContact O-CG 3.26Å; M111-M115 WeakPolarHBondContact O-CG 3.38Å; M111-M115 PolarHBondContact O-N 3.02Å; K112-M115 PolarHBondContact O-N 2.96Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.18Å; M115-L118 PolarHBondContact O-N 3.15Å; M115-G119 PolarHBondContact O-N 3.39Å |
| 116 | I | 89.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 60 Ų | 60 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 176.2 | -69.8 | 165.4 | 0 | 0 | 0 | 110.2 | K112 E113 L118 G119 Y120 | K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 VanDerWaalsContact O-CG1 3.26Å; K112-I116 WeakPolarHBondContact O-CG1 3.49Å; K112-I116 PolarHBondContact O-N 3.18Å; E113-I116 PolarHBondContact O-N 3.29Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.11Å; I116-G119 PolarHBondContact O-N 3.33Å; I116-Y120 WeakPolarHBondContact O-CB 3.44Å; I116-Y120 PolarHBondContact O-N 3.1Å |
| 117 | K | 86.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 174.6 | -76.3 | -179.7 | 175.1 | -170.1 | 0 | 111.6 | E51 N81 E113 A114 G119 Y120 H121 | E51-K117 IonicContact OE1-NZ 3.72Å; E51-K117 PolarHBondContact OE1-NZ 2.65Å; E51-K117 IonicContact OE2-NZ 2.86Å; N81-K117 WeakPolarHBondContact OD1-CE 3.48Å; N81-K117 PolarHBondContact OD1-NZ 3.26Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 3.14Å; A114-K117 PolarHBondContact O-N 3.23Å; K117-G119 PolarHBondContact O-N 3.19Å; K117-Y120 PolarHBondContact O-N 3.1Å; K117-H121 PolarHBondContact O-N 3.39Å; K117-H121 PolarHBondContact O-ND1 2.91Å |
| 118 | L | 89.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 177.1 | 178.8 | 69.2 | 0 | 0 | 0 | 111.2 | I17 V21 I24 A114 M115 I116 Y120 H121 L122 | I17-L118 HydrophobicContact CG2-CD1 3.95Å; V21-L118 HydrophobicContact CG2-CD1 3.71Å; V21-L118 HydrophobicContact CG2-CD2 4.37Å; I24-L118 HydrophobicContact CD1-CB 4.12Å; I24-L118 HydrophobicContact CD1-CD2 3.74Å; I24-L118 HydrophobicContact CD1-CG 4.48Å; A114-L118 WeakPolarHBondContact O-CB 3.26Å; A114-L118 PolarHBondContact O-N 3.15Å; M115-L118 PolarHBondContact O-N 3.15Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.11Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 2.98Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 PolarHBondContact O-N 3.27Å |
| 119 | G | 89.6 | Confident | 87.5 | Confident | 42 Ų | 42 | 55 Ų | 55 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | M115 I116 K117 L122 L123 | M115-G119 PolarHBondContact O-N 3.39Å; I116-G119 PolarHBondContact O-N 3.33Å; K117-G119 PolarHBondContact O-N 3.19Å; G119-L122 PolarHBondContact O-N 2.92Å; G119-L123 PolarHBondContact O-N 2.9Å |
| 120 | Y | 88.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -48.7 | 176.2 | 176.2 | -87.9 | 0 | 0 | 0 | 112.7 | L73 N74 V77 I116 K117 L118 L122 L123 C124 | L73-Y120 HydrophobicContact CG-CE2 4.15Å; L73-Y120 PolarHBondContact O-OH 2.96Å; N74-Y120 WeakPolarHBondContact CA-OH 3.39Å; N74-Y120 PolarHBondContact N-OH 3.47Å; N74-Y120 PolarHBondContact OD1-OH 3.38Å; V77-Y120 HydrophobicContact CB-CD1 4.35Å; V77-Y120 HydrophobicContact CB-CE1 4.09Å; V77-Y120 HydrophobicContact CG1-CD1 4.44Å; V77-Y120 HydrophobicContact CG1-CE1 4.49Å; V77-Y120 HydrophobicContact CG2-CD1 3.56Å; V77-Y120 HydrophobicContact CG2-CD2 3.8Å; V77-Y120 HydrophobicContact CG2-CE1 3.55Å; V77-Y120 HydrophobicContact CG2-CE2 3.8Å; V77-Y120 HydrophobicContact CG2-CG 3.7Å; I116-Y120 WeakPolarHBondContact O-CB 3.44Å; I116-Y120 PolarHBondContact O-N 3.1Å; K117-Y120 PolarHBondContact O-N 3.1Å; L118-Y120 VanDerWaalsContact C-N 3.27Å; L118-Y120 PolarHBondContact O-N 2.98Å; Y120-L122 VanDerWaalsContact C-N 3.26Å; Y120-L122 PolarHBondContact O-N 2.95Å; Y120-L123 PolarHBondContact O-N 3.29Å; Y120-C124 WeakPolarHBondContact CE1-SG 3.47Å; Y120-C124 PolarHBondContact O-N 3.12Å; Y120-C124 PolarHBondContact O-SG 2.98Å; Y120-C124 VanDerWaalsContact O-SG 3.34Å; Y120-C124 PolarHBondContact OH-SG 2.9Å |
| 121 | H | 88.7 | Confident | 87.8 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.1 | -67.3 | 96.7 | 0 | 0 | 0 | 111.2 | C13 I17 Q55 K117 L118 C124 F125 | C13-H121 PolarHBondContact SG-O 3Å; I17-H121 HydrophobicContact CD1-CB 4.47Å; I17-H121 HydrophobicContact CG1-CB 3.65Å; Q55-H121 PolarHBondContact NE2-CE1 3.45Å; Q55-H121 PolarHBondContact NE2-NE2 3.48Å; Q55-H121 VanDerWaalsContact NE2-NE2 3.16Å; K117-H121 PolarHBondContact O-N 3.39Å; K117-H121 PolarHBondContact O-ND1 2.91Å; L118-H121 PolarHBondContact O-N 3.38Å; H121-C124 PolarHBondContact O-N 3.45Å; H121-F125 WeakPolarHBondContact O-CB 3.31Å; H121-F125 PolarHBondContact O-N 3.41Å |
| 122 | L | 89.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 41% | 0.414 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.2 | -164 | 156.1 | 0 | 0 | 0 | 111.9 | L118 G119 Y120 F125 F126 | L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 PolarHBondContact O-N 3.27Å; G119-L122 PolarHBondContact O-N 2.92Å; Y120-L122 VanDerWaalsContact C-N 3.26Å; Y120-L122 PolarHBondContact O-N 2.95Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 3.14Å; L122-F126 HydrophobicContact CD2-CD2 3.91Å; L122-F126 HydrophobicContact CD2-CE2 3.41Å; L122-F126 VanDerWaalsContact CD2-CE2 3.41Å; L122-F126 HydrophobicContact CD2-CZ 4.41Å; L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 2.9Å |
| 123 | L | 89.9 | Confident | 88 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 173.6 | -165.8 | 157.5 | 0 | 0 | 0 | 110.9 | G119 Y120 F125 F126 I127 | G119-L123 PolarHBondContact O-N 2.9Å; Y120-L123 PolarHBondContact O-N 3.29Å; L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.46Å; L123-F126 PolarHBondContact O-N 3.26Å; L123-I127 HydrophobicContact CD2-CD1 3.45Å; L123-I127 VanDerWaalsContact CD2-CD1 3.45Å; L123-I127 HydrophobicContact CD2-CG1 4.17Å; L123-I127 PolarHBondContact O-N 3.19Å |
| 124 | C | 86.8 | Confident | 88 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | Y120 H121 F126 I127 Y128 | Y120-C124 WeakPolarHBondContact CE1-SG 3.47Å; Y120-C124 PolarHBondContact O-N 3.12Å; Y120-C124 PolarHBondContact O-SG 2.98Å; Y120-C124 VanDerWaalsContact O-SG 3.34Å; Y120-C124 PolarHBondContact OH-SG 2.9Å; H121-C124 PolarHBondContact O-N 3.45Å; C124-F126 PolarHBondContact O-N 3.42Å; C124-I127 PolarHBondContact O-N 3.01Å; C124-Y128 HydrophobicContact CB-CE2 4.25Å; C124-Y128 VanDerWaalsContact O-CG 3.24Å; C124-Y128 PolarHBondContact O-N 3.33Å |
| 125 | F | 88.9 | Confident | 87.9 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 175.8 | 178.5 | -94.5 | 0 | 0 | 0 | 112 | L10 C14 I17 H121 L122 L123 I127 Y128 L129 | L10-F125 HydrophobicContact CD2-CD2 3.65Å; L10-F125 HydrophobicContact CD2-CE2 3.52Å; L10-F125 HydrophobicContact CD2-CG 4.4Å; L10-F125 HydrophobicContact CD2-CZ 4.2Å; C14-F125 VanDerWaalsContact SG-CE2 3.5Å; I17-F125 HydrophobicContact CD1-CB 4.02Å; I17-F125 HydrophobicContact CD1-CD2 4.41Å; I17-F125 HydrophobicContact CD1-CG 4.35Å; H121-F125 WeakPolarHBondContact O-CB 3.31Å; H121-F125 PolarHBondContact O-N 3.41Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 3.14Å; L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.46Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-Y128 PolarHBondContact O-N 3.38Å; F125-L129 HydrophobicContact CE1-CD1 3.92Å; F125-L129 HydrophobicContact CZ-CD1 4.23Å; F125-L129 VanDerWaalsContact O-CB 3.32Å; F125-L129 WeakPolarHBondContact O-CB 3.43Å; F125-L129 PolarHBondContact O-N 3.25Å |
| 126 | F | 89.5 | Confident | 87.8 | Confident | 125 Ų | 125 | 58.4 Ų | 58.4 | 55% | 0.548 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.5 | -73.1 | -60.9 | 0 | 0 | 0 | 112.8 | L122 L123 C124 L129 Y130 | L122-F126 HydrophobicContact CD2-CD2 3.91Å; L122-F126 HydrophobicContact CD2-CE2 3.41Å; L122-F126 VanDerWaalsContact CD2-CE2 3.41Å; L122-F126 HydrophobicContact CD2-CZ 4.41Å; L122-F126 WeakPolarHBondContact O-CD2 3.34Å; L122-F126 PolarHBondContact O-N 2.9Å; L123-F126 PolarHBondContact O-N 3.26Å; C124-F126 PolarHBondContact O-N 3.42Å; F126-L129 PolarHBondContact O-N 3.33Å; F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 3.36Å |
| 127 | I | 87.6 | Confident | 87.7 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 175.3 | -67.5 | 175.7 | 0 | 0 | 0 | 110.4 | I70 L73 L123 C124 F125 L129 Y130 S131 | I70-I127 HydrophobicContact CG1-CG2 4.37Å; L73-I127 HydrophobicContact CD2-CD1 3.51Å; L123-I127 HydrophobicContact CD2-CD1 3.45Å; L123-I127 VanDerWaalsContact CD2-CD1 3.45Å; L123-I127 HydrophobicContact CD2-CG1 4.17Å; L123-I127 PolarHBondContact O-N 3.19Å; C124-I127 PolarHBondContact O-N 3.01Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.08Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.43Å; I127-Y130 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-N 2.93Å; I127-S131 PolarHBondContact O-OG 2.86Å |
| 128 | Y | 86.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 178.1 | -62.9 | -21.3 | 0 | 0 | 0 | 112.2 | C13 I70 N74 C124 F125 S131 M132 | C13-Y128 HydrophobicContact CB-CD2 3.94Å; C13-Y128 HydrophobicContact CB-CE2 4.03Å; I70-Y128 HydrophobicContact CG2-CD1 4.41Å; I70-Y128 HydrophobicContact CG2-CE1 3.52Å; N74-Y128 PolarHBondContact ND2-OH 2.8Å; N74-Y128 PolarHBondContact OD1-OH 2.72Å; C124-Y128 HydrophobicContact CB-CE2 4.25Å; C124-Y128 VanDerWaalsContact O-CG 3.24Å; C124-Y128 PolarHBondContact O-N 3.33Å; F125-Y128 PolarHBondContact O-N 3.38Å; Y128-S131 PolarHBondContact O-N 3.08Å; Y128-M132 VanDerWaalsContact O-CB 3.27Å; Y128-M132 WeakPolarHBondContact O-CB 3.36Å; Y128-M132 PolarHBondContact O-N 3.04Å |
| 129 | L | 87.8 | Confident | 86 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.5 | -167.3 | 159.3 | 0 | 0 | 0 | 110.8 | L10 F125 F126 I127 M132 I133 | L10-L129 HydrophobicContact CD2-CB 4.27Å; F125-L129 HydrophobicContact CE1-CD1 3.92Å; F125-L129 HydrophobicContact CZ-CD1 4.23Å; F125-L129 VanDerWaalsContact O-CB 3.32Å; F125-L129 WeakPolarHBondContact O-CB 3.43Å; F125-L129 PolarHBondContact O-N 3.25Å; F126-L129 PolarHBondContact O-N 3.33Å; I127-L129 VanDerWaalsContact C-N 3.3Å; I127-L129 PolarHBondContact O-N 3.43Å; L129-M132 PolarHBondContact O-N 3.27Å; L129-I133 HydrophobicContact CD2-CD1 3.49Å; L129-I133 VanDerWaalsContact CD2-CD1 3.49Å; L129-I133 HydrophobicContact CD2-CG1 4.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.15Å |
| 130 | Y | 88.2 | Confident | 85.8 | Confident | 148 Ų | 148 | 71.2 Ų | 71.2 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -47 | 176.7 | 178 | -104 | 0 | 0 | 0 | 112.2 | F126 I127 M132 I133 L134 | F126-Y130 WeakPolarHBondContact O-CB 3.36Å; F126-Y130 PolarHBondContact O-N 3.36Å; I127-Y130 PolarHBondContact O-N 3.2Å; Y130-M132 VanDerWaalsContact C-N 3.33Å; Y130-M132 PolarHBondContact O-N 3.41Å; Y130-I133 PolarHBondContact O-N 3.41Å; Y130-L134 HydrophobicContact CD1-CD1 3.91Å; Y130-L134 HydrophobicContact CE1-CD1 3.27Å; Y130-L134 HydrophobicContact CE1-CG 4.09Å; Y130-L134 HydrophobicContact CE2-CD1 4.32Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 3.43Å |
| 131 | S | 84.3 | Confident | 85.7 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 177 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | I127 Y128 L134 A135 | I127-S131 PolarHBondContact O-N 2.93Å; I127-S131 PolarHBondContact O-OG 2.86Å; Y128-S131 PolarHBondContact O-N 3.08Å; S131-L134 PolarHBondContact O-N 2.96Å; S131-A135 WeakPolarHBondContact O-CB 3.4Å; S131-A135 PolarHBondContact O-N 3Å |
| 132 | M | 86.7 | Confident | 85.5 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.2 | -174 | -160.8 | 72.1 | 0 | 0 | 111.4 | F6 I7 L10 Y128 L129 Y130 L134 A135 L136 | F6-M132 HydrophobicContact CB-CB 3.86Å; F6-M132 HydrophobicContact CB-CG 4.12Å; I7-M132 HydrophobicContact CG1-CG 4.24Å; I7-M132 HydrophobicContact CG1-SD 3.81Å; L10-M132 HydrophobicContact CD1-CB 4.08Å; L10-M132 HydrophobicContact CD1-CE 4.47Å; L10-M132 HydrophobicContact CD1-CG 4.27Å; L10-M132 HydrophobicContact CD1-SD 3.5Å; L10-M132 VanDerWaalsContact CD1-SD 3.5Å; Y128-M132 VanDerWaalsContact O-CB 3.27Å; Y128-M132 WeakPolarHBondContact O-CB 3.36Å; Y128-M132 PolarHBondContact O-N 3.04Å; L129-M132 PolarHBondContact O-N 3.27Å; Y130-M132 VanDerWaalsContact C-N 3.33Å; Y130-M132 PolarHBondContact O-N 3.41Å; M132-L134 VanDerWaalsContact C-N 3.35Å; M132-L134 PolarHBondContact O-N 3.35Å; M132-A135 PolarHBondContact O-N 2.98Å; M132-L136 WeakPolarHBondContact O-CB 3.48Å; M132-L136 PolarHBondContact O-N 2.84Å |
| 133 | I | 88.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 179.3 | -69.1 | 174.3 | 0 | 0 | 0 | 110.5 | L129 Y130 L136 I137 | L129-I133 HydrophobicContact CD2-CD1 3.49Å; L129-I133 VanDerWaalsContact CD2-CD1 3.49Å; L129-I133 HydrophobicContact CD2-CG1 4.26Å; L129-I133 WeakPolarHBondContact O-CG1 3.45Å; L129-I133 PolarHBondContact O-N 3.15Å; Y130-I133 PolarHBondContact O-N 3.41Å; I133-L136 PolarHBondContact O-N 3.24Å; I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 VanDerWaalsContact O-CG1 3.27Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 3.45Å |
| 134 | L | 86.2 | Confident | 84.9 | Confident | 79 Ų | 79 | 75.2 Ų | 75.2 | 41% | 0.414 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.9 | -75.5 | -179.3 | 0 | 0 | 0 | 112.3 | Y130 S131 M132 L136 I137 N138 | Y130-L134 HydrophobicContact CD1-CD1 3.91Å; Y130-L134 HydrophobicContact CE1-CD1 3.27Å; Y130-L134 HydrophobicContact CE1-CG 4.09Å; Y130-L134 HydrophobicContact CE2-CD1 4.32Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact O-N 2.96Å; M132-L134 VanDerWaalsContact C-N 3.35Å; M132-L134 PolarHBondContact O-N 3.35Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.12Å; L134-I137 PolarHBondContact O-N 3.12Å; L134-N138 VanDerWaalsContact O-CB 3.25Å; L134-N138 WeakPolarHBondContact O-CB 3.41Å; L134-N138 PolarHBondContact O-N 3.48Å |
| 135 | A | 83.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 11% | 0.107 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F6 S131 M132 N138 D139 | F6-A135 HydrophobicContact CD2-CB 3.9Å; F6-A135 HydrophobicContact CE2-CB 4.01Å; S131-A135 WeakPolarHBondContact O-CB 3.4Å; S131-A135 PolarHBondContact O-N 3Å; M132-A135 PolarHBondContact O-N 2.98Å; A135-N138 PolarHBondContact O-N 3.03Å; A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 3.45Å |
| 136 | L | 85.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.4 | -29.9 | 178.5 | -159.3 | 82.9 | 0 | 0 | 0 | 113.6 | A3 M132 I133 L134 | A3-L136 HydrophobicContact CB-CD1 4.38Å; M132-L136 WeakPolarHBondContact O-CB 3.48Å; M132-L136 PolarHBondContact O-N 2.84Å; I133-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.12Å |
| 137 | I | 88 | Confident | 84.1 | Confident | 128 Ų | 128 | 78.6 Ų | 78.6 | 66% | 0.656 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -77.8 | -30.7 | 176.3 | -71.2 | 168.5 | 0 | 0 | 0 | 111.1 | I133 L134 | I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.33Å; I133-I137 VanDerWaalsContact O-CG1 3.27Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 3.12Å |
| 138 | N | 78.3 | Confident | 83.9 | Confident | 148 Ų | 148 | 81.7 Ų | 81.7 | 79% | 0.791 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -94.2 | -12.3 | -176.1 | -162.3 | 58.7 | 0 | 0 | 0 | 113.4 | L134 A135 | L134-N138 VanDerWaalsContact O-CB 3.25Å; L134-N138 WeakPolarHBondContact O-CB 3.41Å; L134-N138 PolarHBondContact O-N 3.48Å; A135-N138 PolarHBondContact O-N 3.03Å |
| 139 | D | 62.5 | Low | 83.6 | Confident | 148 Ų | 148 | 88.7 Ų | 88.7 | 79% | 0.791 | 45% | 0.454 | S | S | * | . | trans | -76.1 | 0 | 161.3 | -94.2 | -45.4 | 0 | 0 | 0 | 110.1 | A135 | A135-D139 WeakPolarHBondContact O-CB 3.47Å; A135-D139 PolarHBondContact O-N 3.45Å |
Retrieved 139 of 139 residues in 215 ms
(Link to these results)