| 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 | S | 75.9 | Confident | 86.5 | Confident | 9 Ų | 9 | 18.8 Ų | 18.8 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | 0 | -73 | 0 | -171.5 | 0 | 0 | 0 | 0 | 116 | E3 E4 I5 Q326 D376 | S1-E3 VanDerWaalsContact C-N 3.34Å; S1-E3 PolarHBondContact O-N 2.87Å; S1-E4 WeakPolarHBondContact CA-OE2 3.24Å; S1-E4 VanDerWaalsContact N-CD 3.29Å; S1-E4 PolarHBondContact N-OE1 3.15Å; S1-E4 PolarHBondContact N-OE2 3.05Å; S1-E4 WeakPolarHBondContact O-CB 3.37Å; S1-E4 PolarHBondContact O-N 3.35Å; S1-E4 VanDerWaalsContact O-N 3.14Å; S1-I5 PolarHBondContact O-N 3.36Å; S1-Q326 PolarHBondContact OG-NE2 3.45Å; S1-D376 PolarHBondContact N-OD1 3.11Å | |||
| 2 | T | 81.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 22.3 Ų | 22.3 | 12% | 0.123 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | -174.3 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | E4 I5 F6 | T2-E4 VanDerWaalsContact C-N 3.31Å; T2-E4 PolarHBondContact O-N 3.24Å; T2-I5 PolarHBondContact O-N 2.87Å; T2-F6 PolarHBondContact O-N 3.29Å |
| 3 | E | 83.3 | Confident | 87.5 | Confident | 56 Ų | 56 | 22 Ų | 22 | 26% | 0.262 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 174.3 | -68.5 | 161.3 | -134.7 | 0 | 0 | 112.5 | S1 F6 S7 A170 I171 | S1-E3 VanDerWaalsContact C-N 3.34Å; S1-E3 PolarHBondContact O-N 2.87Å; E3-F6 PolarHBondContact O-N 3.25Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.4Å; E3-A170 VanDerWaalsContact CD-CB 3.47Å; E3-A170 HydrophobicContact CG-CB 4.04Å; E3-A170 VanDerWaalsContact OE1-CB 3.24Å; E3-A170 WeakPolarHBondContact OE1-CB 3.28Å; E3-I171 HydrophobicContact CB-CD1 4.32Å; E3-I171 HydrophobicContact CB-CG1 3.74Å; E3-I171 HydrophobicContact CG-CG1 3.91Å |
| 4 | E | 85.7 | Confident | 87.8 | Confident | 32 Ų | 32 | 23.8 Ų | 23.8 | 15% | 0.15 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | 179.2 | -66.1 | 145.8 | -139.8 | 0 | 0 | 111.5 | S1 T2 F6 S7 I8 N289 E290 M291 R294 | S1-E4 WeakPolarHBondContact CA-OE2 3.24Å; S1-E4 VanDerWaalsContact N-CD 3.29Å; S1-E4 PolarHBondContact N-OE1 3.15Å; S1-E4 PolarHBondContact N-OE2 3.05Å; S1-E4 WeakPolarHBondContact O-CB 3.37Å; S1-E4 PolarHBondContact O-N 3.35Å; S1-E4 VanDerWaalsContact O-N 3.14Å; T2-E4 VanDerWaalsContact C-N 3.31Å; T2-E4 PolarHBondContact O-N 3.24Å; E4-F6 VanDerWaalsContact C-N 3.34Å; E4-S7 PolarHBondContact O-N 2.96Å; E4-I8 PolarHBondContact O-N 3.11Å; E4-N289 WeakPolarHBondContact CB-OD1 3.5Å; E4-N289 PolarHBondContact O-ND2 3.18Å; E4-E290 HydrophobicContact CG-CB 4.35Å; E4-M291 HydrophobicContact CB-CB 3.73Å; E4-M291 HydrophobicContact CG-CB 4.48Å; E4-R294 IonicContact OE2-CZ 3.26Å; E4-R294 IonicContact OE2-NH1 2.69Å; E4-R294 IonicContact OE2-NH2 3.72Å; E4-R294 PolarHBondContact OE2-NH2 3.23Å |
| 5 | I | 89 | Confident | 88.2 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.6 | -63.7 | 167.1 | 0 | 0 | 0 | 109.7 | S1 T2 I8 F9 M291 Q326 Q329 L330 L333 | S1-I5 PolarHBondContact O-N 3.36Å; T2-I5 PolarHBondContact O-N 2.87Å; I5-I8 PolarHBondContact O-N 2.81Å; I5-F9 WeakPolarHBondContact O-CB 3.26Å; I5-F9 PolarHBondContact O-N 3.05Å; I5-M291 HydrophobicContact CB-SD 4.22Å; I5-M291 HydrophobicContact CG1-CE 4.5Å; I5-M291 HydrophobicContact CG1-SD 3.54Å; I5-M291 VanDerWaalsContact CG1-SD 3.54Å; I5-Q326 HydrophobicContact CD1-CB 4.34Å; I5-Q326 HydrophobicContact CD1-CG 4.25Å; I5-Q326 HydrophobicContact CG1-CB 4.4Å; I5-Q329 HydrophobicContact CD1-CB 4.25Å; I5-L330 HydrophobicContact CG2-CB 4.26Å; I5-L330 HydrophobicContact CG2-CD1 4.23Å; I5-L333 HydrophobicContact CG2-CD2 4.32Å |
| 6 | F | 87 | Confident | 88.5 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 4% | 0.044 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | -179.7 | -164.9 | -91.1 | 0 | 0 | 0 | 111.6 | T2 E3 E4 I8 F9 I10 D164 I167 L211 F348 | T2-F6 PolarHBondContact O-N 3.29Å; E3-F6 PolarHBondContact O-N 3.25Å; E4-F6 VanDerWaalsContact C-N 3.34Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.94Å; F6-F9 WeakPolarHBondContact O-CB 3.18Å; F6-F9 PolarHBondContact O-N 2.83Å; F6-I10 HydrophobicContact CD1-CD1 4.5Å; F6-I10 HydrophobicContact CD1-CG1 3.85Å; F6-I10 HydrophobicContact CE1-CD1 3.81Å; F6-I10 HydrophobicContact CE1-CG1 3.59Å; F6-I10 HydrophobicContact CZ-CD1 4.07Å; F6-I10 HydrophobicContact CZ-CG1 4.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.46Å; F6-D164 WeakPolarHBondContact CZ-OD1 3.36Å; F6-I167 HydrophobicContact CB-CD1 4.3Å; F6-I167 HydrophobicContact CB-CG2 4.17Å; F6-I167 HydrophobicContact CD1-CD1 4.39Å; F6-I167 HydrophobicContact CD1-CG2 3.89Å; F6-I167 HydrophobicContact CD2-CD1 3.73Å; F6-I167 HydrophobicContact CE2-CD1 4.07Å; F6-I167 HydrophobicContact CG-CD1 3.88Å; F6-I167 HydrophobicContact CG-CG2 4.08Å; F6-L211 HydrophobicContact CD1-CD1 3.58Å; F6-L211 HydrophobicContact CE1-CD1 3.58Å; F6-F348 HydrophobicContact CD2-CZ 4.48Å; F6-F348 AromaticContact CE2-CE1 3.95Å; F6-F348 HydrophobicContact CE2-CE1 3.95Å; F6-F348 AromaticContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CZ-CE1 4.46Å; F6-F348 HydrophobicContact CZ-CZ 4.31Å |
| 7 | S | 86.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 30.5 Ų | 30.5 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 175.8 | 166.2 | 0 | 0 | 0 | 0 | 112.5 | E3 E4 A11 N289 | E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.4Å; E4-S7 PolarHBondContact O-N 2.96Å; S7-A11 PolarHBondContact O-N 2.87Å; S7-A11 VanDerWaalsContact O-N 3.09Å; S7-N289 WeakPolarHBondContact CB-ND2 3.31Å; S7-N289 PolarHBondContact OG-ND2 3.42Å; S7-N289 VanDerWaalsContact OG-ND2 3.16Å |
| 8 | I | 91 | Very high | 88.9 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 176.3 | -72.1 | 164.9 | 0 | 0 | 0 | 111.3 | E4 I5 F6 I10 A11 I12 L286 N289 M291 F292 I295 L330 | E4-I8 PolarHBondContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 2.81Å; F6-I8 VanDerWaalsContact C-N 3.34Å; F6-I8 PolarHBondContact O-N 2.94Å; I8-I10 PolarHBondContact O-N 2.75Å; I8-A11 WeakPolarHBondContact O-CB 3.42Å; I8-A11 PolarHBondContact O-N 2.98Å; I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.39Å; I8-I12 PolarHBondContact O-N 3.24Å; I8-L286 HydrophobicContact CG1-CD2 4Å; I8-N289 WeakPolarHBondContact CG1-ND2 3.43Å; I8-M291 HydrophobicContact CB-CE 4.35Å; I8-M291 HydrophobicContact CD1-CB 3.64Å; I8-M291 HydrophobicContact CD1-CE 3.58Å; I8-M291 HydrophobicContact CD1-CG 3.58Å; I8-M291 HydrophobicContact CD1-SD 3.73Å; I8-M291 HydrophobicContact CG2-CE 4.3Å; I8-F292 HydrophobicContact CD1-CB 4.05Å; I8-I295 HydrophobicContact CD1-CD1 4.41Å; I8-L330 HydrophobicContact CB-CD1 4.39Å; I8-L330 HydrophobicContact CG2-CD1 4.02Å; I8-L330 HydrophobicContact CG2-CD2 3.59Å; I8-L330 HydrophobicContact CG2-CG 4.47Å |
| 9 | F | 91.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 174.5 | 165.9 | -100.4 | 0 | 0 | 0 | 111.8 | I5 F6 A11 I12 A13 L330 L333 F348 | I5-F9 WeakPolarHBondContact O-CB 3.26Å; I5-F9 PolarHBondContact O-N 3.05Å; F6-F9 WeakPolarHBondContact O-CB 3.18Å; F6-F9 PolarHBondContact O-N 2.83Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.34Å; F9-I12 PolarHBondContact O-N 2.97Å; F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.95Å; F9-L330 HydrophobicContact CB-CD1 3.85Å; F9-L333 HydrophobicContact CB-CD2 3.54Å; F9-L333 HydrophobicContact CB-CG 4.28Å; F9-L333 HydrophobicContact CD1-CD2 3.97Å; F9-L333 HydrophobicContact CD1-CG 4.31Å; F9-L333 HydrophobicContact CD2-CB 4.32Å; F9-L333 HydrophobicContact CD2-CD2 3.92Å; F9-L333 HydrophobicContact CD2-CG 3.68Å; F9-L333 HydrophobicContact CE2-CG 4.11Å; F9-L333 HydrophobicContact CG-CD2 3.51Å; F9-L333 HydrophobicContact CG-CG 3.8Å; F9-F348 HydrophobicContact CD1-CE2 4Å; F9-F348 AromaticContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CE1-CD2 4.46Å; F9-F348 AromaticContact CE1-CE2 3.3Å; F9-F348 HydrophobicContact CE1-CE2 3.3Å; F9-F348 AromaticContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE2-CE2 4.08Å; F9-F348 HydrophobicContact CZ-CD2 4.2Å; F9-F348 AromaticContact CZ-CE2 3.35Å; F9-F348 HydrophobicContact CZ-CE2 3.35Å; F9-F348 AromaticContact CZ-CZ 3.94Å; F9-F348 HydrophobicContact CZ-CZ 3.94Å |
| 10 | I | 88.4 | Confident | 89.3 | Confident | 30 Ų | 30 | 36 Ų | 36 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.6 | -64.9 | -57.3 | 0 | 0 | 0 | 111.3 | F6 I8 I12 A13 F14 L211 | F6-I10 HydrophobicContact CD1-CD1 4.5Å; F6-I10 HydrophobicContact CD1-CG1 3.85Å; F6-I10 HydrophobicContact CE1-CD1 3.81Å; F6-I10 HydrophobicContact CE1-CG1 3.59Å; F6-I10 HydrophobicContact CZ-CD1 4.07Å; F6-I10 HydrophobicContact CZ-CG1 4.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.48Å; F6-I10 PolarHBondContact O-N 3.46Å; I8-I10 PolarHBondContact O-N 2.75Å; I10-I12 PolarHBondContact O-N 3Å; I10-A13 PolarHBondContact O-N 3.18Å; I10-F14 HydrophobicContact CG2-CD2 3.95Å; I10-F14 HydrophobicContact CG2-CE2 3.36Å; I10-F14 HydrophobicContact CG2-CZ 3.93Å; I10-F14 WeakPolarHBondContact O-CD2 3.41Å; I10-F14 PolarHBondContact O-N 3.4Å; I10-L211 HydrophobicContact CG1-CB 4.48Å; I10-L211 HydrophobicContact CG2-CB 4.44Å |
| 11 | A | 91.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S7 I8 F9 A13 F14 V15 A282 S285 L286 | S7-A11 PolarHBondContact O-N 2.87Å; S7-A11 VanDerWaalsContact O-N 3.09Å; I8-A11 WeakPolarHBondContact O-CB 3.42Å; I8-A11 PolarHBondContact O-N 2.98Å; F9-A11 VanDerWaalsContact C-N 3.31Å; F9-A11 PolarHBondContact O-N 3.34Å; A11-A13 VanDerWaalsContact C-N 3.33Å; A11-A13 PolarHBondContact O-N 3.16Å; A11-F14 PolarHBondContact O-N 2.9Å; A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.8Å; A11-V15 VanDerWaalsContact O-N 3.13Å; A11-A282 HydrophobicContact CB-CB 4.37Å; A11-A282 WeakPolarHBondContact O-CB 3.46Å; A11-S285 VanDerWaalsContact CB-OG 3.27Å; A11-S285 WeakPolarHBondContact CB-OG 3.39Å; A11-L286 HydrophobicContact CB-CD2 3.83Å; A11-L286 HydrophobicContact CB-CG 4.17Å |
| 12 | I | 93.7 | Very high | 90.1 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.2 | -67.1 | 168.6 | 0 | 0 | 0 | 110.7 | I8 F9 I10 V15 A16 L330 L338 | I8-I12 HydrophobicContact CG2-CD1 3.81Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.39Å; I8-I12 PolarHBondContact O-N 3.24Å; F9-I12 PolarHBondContact O-N 2.97Å; I10-I12 PolarHBondContact O-N 3Å; I12-V15 PolarHBondContact O-N 3.33Å; I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.42Å; I12-L330 HydrophobicContact CD1-CD1 4.28Å; I12-L330 HydrophobicContact CD1-CD2 3.85Å; I12-L330 HydrophobicContact CD1-CG 4.33Å; I12-L338 HydrophobicContact CG2-CD1 4.08Å |
| 13 | A | 91.7 | Very high | 90.6 | Very high | 19 Ų | 19 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F9 I10 A11 V15 A16 E17 L338 | F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.95Å; I10-A13 PolarHBondContact O-N 3.18Å; A11-A13 VanDerWaalsContact C-N 3.33Å; A11-A13 PolarHBondContact O-N 3.16Å; A13-V15 PolarHBondContact O-N 3.29Å; A13-A16 PolarHBondContact O-N 2.99Å; A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 2.97Å; A13-L338 HydrophobicContact CB-CD2 4.2Å |
| 14 | F | 91.5 | Very high | 90.8 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 174.4 | -72.1 | -41.1 | 0 | 0 | 0 | 113.1 | I10 A11 S18 P212 F278 A282 | I10-F14 HydrophobicContact CG2-CD2 3.95Å; I10-F14 HydrophobicContact CG2-CE2 3.36Å; I10-F14 HydrophobicContact CG2-CZ 3.93Å; I10-F14 WeakPolarHBondContact O-CD2 3.41Å; I10-F14 PolarHBondContact O-N 3.4Å; A11-F14 PolarHBondContact O-N 2.9Å; F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.26Å; F14-P212 HydrophobicContact CD2-CG 4.42Å; F14-P212 HydrophobicContact CE2-CG 3.63Å; F14-P212 HydrophobicContact CZ-CG 4.34Å; F14-F278 HydrophobicContact CB-CB 4.48Å; F14-A282 HydrophobicContact CB-CB 4.04Å |
| 15 | V | 94.1 | Very high | 90.9 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 33% | 0.333 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | A11 I12 A13 S18 L19 L279 A282 | A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.8Å; A11-V15 VanDerWaalsContact O-N 3.13Å; I12-V15 PolarHBondContact O-N 3.33Å; A13-V15 PolarHBondContact O-N 3.29Å; V15-S18 PolarHBondContact O-N 3.01Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.28Å; V15-L19 PolarHBondContact O-N 2.96Å; V15-L279 HydrophobicContact CB-CD2 4.23Å; V15-L279 HydrophobicContact CG1-CD2 4.2Å; V15-L279 HydrophobicContact CG2-CD2 3.97Å; V15-A282 HydrophobicContact CG2-CB 3.69Å |
| 16 | A | 93.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 A13 L19 K20 L338 | I12-A16 WeakPolarHBondContact O-CB 3.46Å; I12-A16 PolarHBondContact O-N 3.42Å; A13-A16 PolarHBondContact O-N 2.99Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.5Å; A16-K20 PolarHBondContact O-N 3.4Å; A16-L338 HydrophobicContact CB-CD1 4.19Å; A16-L338 HydrophobicContact CB-CD2 4Å |
| 17 | E | 91.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 45 Ų | 45 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | 177.3 | -80 | -63.2 | 136.8 | 0 | 0 | 112 | A13 L19 K20 A21 | A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 2.97Å; E17-L19 PolarHBondContact O-N 2.86Å; E17-K20 PolarHBondContact O-N 3.47Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.44Å; E17-K20 VanDerWaalsContact OE1-NZ 3.14Å; E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.05Å |
| 18 | S | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.5 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | F14 V15 A21 L22 D275 F278 | F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.26Å; V15-S18 PolarHBondContact O-N 3.01Å; S18-A21 PolarHBondContact O-N 2.99Å; S18-L22 WeakPolarHBondContact O-CB 3.09Å; S18-L22 PolarHBondContact O-N 3.39Å; S18-D275 PolarHBondContact OG-O 2.83Å; S18-F278 WeakPolarHBondContact OG-CB 3.08Å |
| 19 | L | 93.9 | Very high | 89.9 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.1 | -34.7 | 176.1 | -71.4 | 175.8 | 0 | 0 | 0 | 112.6 | V15 A16 E17 L22 S23 | V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.34Å; V15-L19 WeakPolarHBondContact O-CB 3.47Å; V15-L19 VanDerWaalsContact O-CG 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.28Å; V15-L19 PolarHBondContact O-N 2.96Å; A16-L19 PolarHBondContact O-N 3.44Å; E17-L19 PolarHBondContact O-N 2.86Å; L19-L22 HydrophobicContact CD2-CD2 4.4Å; L19-L22 PolarHBondContact O-N 3.3Å; L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.03Å |
| 20 | K | 92.5 | Very high | 89.1 | Confident | 110 Ų | 110 | 51 Ų | 51 | 48% | 0.478 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 174.9 | -178.5 | -179.3 | 173.8 | -171.4 | 0 | 111.2 | A16 E17 S23 N24 | A16-K20 VanDerWaalsContact O-CB 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.5Å; A16-K20 PolarHBondContact O-N 3.4Å; E17-K20 PolarHBondContact O-N 3.47Å; E17-K20 IonicContact OE1-NZ 2.85Å; E17-K20 PolarHBondContact OE1-NZ 3.44Å; E17-K20 VanDerWaalsContact OE1-NZ 3.14Å; K20-S23 PolarHBondContact O-N 2.92Å; K20-N24 WeakPolarHBondContact O-CB 3.43Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 3.31Å |
| 21 | A | 90.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E17 S18 N24 N25 D275 | E17-A21 WeakPolarHBondContact O-CB 3.42Å; E17-A21 PolarHBondContact O-N 3.05Å; S18-A21 PolarHBondContact O-N 2.99Å; A21-N24 PolarHBondContact O-N 3.33Å; A21-N25 WeakPolarHBondContact O-CB 3.17Å; A21-N25 PolarHBondContact O-N 3.15Å; A21-D275 WeakPolarHBondContact CB-OD2 3.31Å |
| 22 | L | 91.3 | Very high | 87.2 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -50.7 | 171.6 | -178.5 | 71.7 | 0 | 0 | 0 | 111.8 | S18 L19 N24 N25 Y26 Y66 L67 M70 | S18-L22 WeakPolarHBondContact O-CB 3.09Å; S18-L22 PolarHBondContact O-N 3.39Å; L19-L22 HydrophobicContact CD2-CD2 4.4Å; L19-L22 PolarHBondContact O-N 3.3Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.06Å; L22-N25 WeakPolarHBondContact O-CB 3.16Å; L22-N25 PolarHBondContact O-N 2.69Å; L22-N25 VanDerWaalsContact O-N 3.16Å; L22-Y26 HydrophobicContact CD1-CD2 3.96Å; L22-Y26 HydrophobicContact CD1-CE2 3.7Å; L22-Y26 HydrophobicContact CG-CD2 4.05Å; L22-Y26 HydrophobicContact CG-CE2 4.12Å; L22-Y26 WeakPolarHBondContact O-CD2 3.19Å; L22-Y26 PolarHBondContact O-N 2.9Å; L22-Y66 HydrophobicContact CB-CE1 4.44Å; L22-Y66 HydrophobicContact CD1-CD1 3.55Å; L22-Y66 HydrophobicContact CD1-CE1 4.08Å; L22-L67 HydrophobicContact CD1-CB 4.28Å; L22-L67 HydrophobicContact CD1-CD1 4.02Å; L22-L67 HydrophobicContact CD2-CD1 3.83Å; L22-M70 HydrophobicContact CB-SD 4.34Å; L22-M70 HydrophobicContact CD1-CE 4.41Å; L22-M70 HydrophobicContact CD1-SD 4.36Å; L22-M70 HydrophobicContact CD2-CE 3.91Å; L22-M70 HydrophobicContact CD2-SD 4.42Å |
| 23 | S | 91.2 | Very high | 85.8 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 112 | L19 K20 Y26 K27 | L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.03Å; K20-S23 PolarHBondContact O-N 2.92Å; S23-Y26 PolarHBondContact O-N 2.95Å; S23-K27 WeakPolarHBondContact O-CG 3.38Å; S23-K27 PolarHBondContact O-N 2.88Å |
| 24 | N | 88.4 | Confident | 84.3 | Confident | 71 Ų | 71 | 60 Ų | 60 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.6 | -73.6 | -19.6 | 0 | 0 | 0 | 111.6 | K20 A21 L22 K27 I28 | K20-N24 WeakPolarHBondContact O-CB 3.43Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 3.31Å; A21-N24 PolarHBondContact O-N 3.33Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.06Å; N24-K27 PolarHBondContact O-N 3.43Å; N24-I28 WeakPolarHBondContact O-CD1 3.18Å; N24-I28 VanDerWaalsContact O-CG1 3.24Å; N24-I28 WeakPolarHBondContact O-CG1 3.31Å; N24-I28 PolarHBondContact O-N 2.78Å |
| 25 | N | 86.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.4 | -173 | -78.7 | 0 | 0 | 0 | 111.3 | A21 L22 K27 I28 F29 S63 Y66 | A21-N25 WeakPolarHBondContact O-CB 3.17Å; A21-N25 PolarHBondContact O-N 3.15Å; L22-N25 WeakPolarHBondContact O-CB 3.16Å; L22-N25 PolarHBondContact O-N 2.69Å; L22-N25 VanDerWaalsContact O-N 3.16Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.48Å; N25-I28 PolarHBondContact O-N 3.26Å; N25-I28 VanDerWaalsContact O-N 3.16Å; N25-F29 WeakPolarHBondContact ND2-CE2 3.49Å; N25-F29 WeakPolarHBondContact O-CD2 3.28Å; N25-F29 PolarHBondContact O-N 3.47Å; N25-S63 PolarHBondContact O-OG 3.06Å; N25-S63 WeakPolarHBondContact OD1-CA 3.14Å; N25-S63 PolarHBondContact OD1-OG 3.02Å; N25-Y66 HydrophobicContact CB-CD2 4.2Å; N25-Y66 HydrophobicContact CB-CE2 4.28Å; N25-Y66 HydrophobicContact CB-CG 4.38Å; N25-Y66 VanDerWaalsContact ND2-CD2 3.33Å; N25-Y66 WeakPolarHBondContact ND2-CD2 3.3Å |
| 26 | Y | 88 | Confident | 81.4 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 175.7 | -91.6 | -91.6 | 0 | 0 | 0 | 112.6 | L22 S23 I28 Y30 H31 L67 | L22-Y26 HydrophobicContact CD1-CD2 3.96Å; L22-Y26 HydrophobicContact CD1-CE2 3.7Å; L22-Y26 HydrophobicContact CG-CD2 4.05Å; L22-Y26 HydrophobicContact CG-CE2 4.12Å; L22-Y26 WeakPolarHBondContact O-CD2 3.19Å; L22-Y26 PolarHBondContact O-N 2.9Å; S23-Y26 PolarHBondContact O-N 2.95Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; Y26-I28 PolarHBondContact O-N 2.91Å; Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 WeakPolarHBondContact O-CA 3.42Å; Y26-Y30 WeakPolarHBondContact O-CB 3.33Å; Y26-Y30 PolarHBondContact O-N 3.01Å; Y26-H31 PolarHBondContact O-N 3.12Å; Y26-L67 HydrophobicContact CE2-CB 4.45Å |
| 27 | K | 85.5 | Confident | 79.7 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 175.7 | -75.5 | 174.7 | -176.1 | 175.9 | 0 | 112.3 | S23 N24 N25 | S23-K27 WeakPolarHBondContact O-CG 3.38Å; S23-K27 PolarHBondContact O-N 2.88Å; N24-K27 PolarHBondContact O-N 3.43Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.48Å |
| 28 | I | 81.1 | Confident | 77.9 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -75.1 | -40.6 | -176.9 | -68 | 165.8 | 0 | 0 | 0 | 112.2 | N24 N25 Y26 K56 | N24-I28 WeakPolarHBondContact O-CD1 3.18Å; N24-I28 VanDerWaalsContact O-CG1 3.24Å; N24-I28 WeakPolarHBondContact O-CG1 3.31Å; N24-I28 PolarHBondContact O-N 2.78Å; N25-I28 PolarHBondContact O-N 3.26Å; N25-I28 VanDerWaalsContact O-N 3.16Å; Y26-I28 VanDerWaalsContact C-N 3.32Å; Y26-I28 PolarHBondContact O-N 2.91Å; I28-K56 HydrophobicContact CG2-CD 4.15Å |
| 29 | F | 79.1 | Confident | 75.6 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 10% | 0.096 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -107.8 | -21.2 | -170.5 | -64.1 | -73.4 | 0 | 0 | 0 | 114.8 | N25 N59 A62 S63 E123 | N25-F29 WeakPolarHBondContact ND2-CE2 3.49Å; N25-F29 WeakPolarHBondContact O-CD2 3.28Å; N25-F29 PolarHBondContact O-N 3.47Å; F29-N59 HydrophobicContact CD1-CB 4.4Å; F29-A62 HydrophobicContact CD1-CB 4.48Å; F29-A62 HydrophobicContact CG-CB 4.34Å; F29-S63 WeakPolarHBondContact CB-OG 3.22Å; F29-E123 HydrophobicContact CE2-CG 4.11Å; F29-E123 VanDerWaalsContact CE2-OE1 3.28Å; F29-E123 WeakPolarHBondContact CE2-OE1 3.5Å; F29-E123 HydrophobicContact CZ-CG 4.01Å; F29-E123 WeakPolarHBondContact CZ-OE1 3.19Å |
| 30 | Y | 75.4 | Confident | 73.1 | Confident | 93 Ų | 93 | 78 Ų | 78 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -39.9 | -177.3 | -163 | -88.5 | 0 | 0 | 0 | 112.8 | Y26 R60 | Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 WeakPolarHBondContact O-CA 3.42Å; Y26-Y30 WeakPolarHBondContact O-CB 3.33Å; Y26-Y30 PolarHBondContact O-N 3.01Å; Y30-R60 HydrophobicContact CD2-CB 4.03Å; Y30-R60 HydrophobicContact CD2-CG 3.95Å; Y30-R60 HydrophobicContact CE2-CB 4.27Å; Y30-R60 HydrophobicContact CE2-CG 4.23Å |
| 31 | H | 70.7 | Confident | 70.5 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -104.1 | 6.7 | -173.9 | -81.5 | -68.2 | 0 | 0 | 0 | 115 | Y26 | Y26-H31 PolarHBondContact O-N 3.12Š|
| 32 | D | 68.7 | Low | 67.9 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | trans | -62.1 | 145.4 | 178.6 | -166.3 | 34.4 | 0 | 0 | 0 | 111.1 | S34 C35 | D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 VanDerWaalsContact O-N 3.14Å; D32-S34 PolarHBondContact OD2-OG 3.08Å; D32-C35 VanDerWaalsContact O-CB 3.26Å; D32-C35 WeakPolarHBondContact O-CB 3.26Å; D32-C35 PolarHBondContact O-N 2.99Å | ||
| 33 | S | 63.5 | Low | 65.2 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 60% | 0.601 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -61.9 | -25.1 | -175.9 | 54 | 0 | 0 | 0 | 0 | 112.5 | C35 Q36 | S33-C35 PolarHBondContact O-N 3.42Å; S33-Q36 PolarHBondContact O-N 2.8Å |
| 34 | S | 61.9 | Low | 62.6 | Low | 37 Ų | 37 | 91.4 Ų | 91.4 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -60.6 | -28.7 | 170.2 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | D32 T37 | D32-S34 PolarHBondContact O-N 3.15Å; D32-S34 VanDerWaalsContact O-N 3.14Å; D32-S34 PolarHBondContact OD2-OG 3.08Å; S34-T37 PolarHBondContact O-OG1 2.89Å |
| 35 | C | 61.5 | Low | 60.1 | Low | 4 Ų | 4 | 95.9 Ų | 95.9 | 3% | 0.027 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -81.3 | -17.9 | 179.3 | -70.9 | 0 | 0 | 0 | 0 | 114.6 | D32 S33 C58 R60 | D32-C35 VanDerWaalsContact O-CB 3.26Å; D32-C35 WeakPolarHBondContact O-CB 3.26Å; D32-C35 PolarHBondContact O-N 2.99Å; S33-C35 PolarHBondContact O-N 3.42Å; C35-C58 WeakPolarHBondContact CA-SG 3.32Å; C35-C58 HydrophobicContact CB-CB 4.02Å; C35-C58 WeakPolarHBondContact CB-SG 3.13Å; C35-C58 VanDerWaalsContact SG-CA 3.54Å; C35-C58 WeakPolarHBondContact SG-CB 3.49Å; C35-C58 CovalentContact SG-SG 2.01Å; C35-C58 PolarHBondContact SG-SG 3.42Å; C35-R60 PolarHBondContact O-NH2 3.23Å; C35-R60 VanDerWaalsContact O-NH2 3.13Å |
| 36 | Q | 61.7 | Low | 57.7 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -16.1 | -177.9 | -66.9 | -176.4 | 3.3 | 0 | 0 | 112.8 | S33 | S33-Q36 PolarHBondContact O-N 2.8Š|
| 37 | T | 58.7 | Low | 55 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 69% | 0.693 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -94.9 | -5.5 | -177 | 48.8 | 0 | 0 | 0 | 0 | 114 | S34 E39 | S34-T37 PolarHBondContact O-OG1 2.89Å; T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 PolarHBondContact O-N 3.11Å |
| 38 | L | 54.4 | Low | 52.7 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | trans | -87 | 58.8 | 173 | -101.1 | 118.2 | 0 | 0 | 0 | 111.7 | ||||
| 39 | E | 43.7 | Very low | 50.3 | Low | 164 Ų | 164 | 110.9 Ų | 110.9 | 77% | 0.766 | 61% | 0.61 | S | S | * | * | trans | -95.7 | 131.2 | 152.1 | -88.1 | -169.6 | 152.5 | 0 | 0 | 108.2 | T37 N41 | T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 PolarHBondContact O-N 3.11Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.46Å | ||
| 40 | P | 40.9 | Very low | 48 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 65% | 0.645 | S | S | * | * | trans | -82.4 | 76.8 | -168.2 | 35.3 | -34.2 | 0 | 0 | 0 | 110.4 | ||||
| 41 | N | 38.1 | Very low | 45.7 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | -108.9 | 90.1 | 163.3 | -86.8 | -14.3 | 0 | 0 | 0 | 109.6 | E39 | E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.46Å | ||
| 42 | S | 35.1 | Very low | 43.6 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | trans | 44.7 | 120.8 | 135.4 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 43 | T | 35.1 | Very low | 41.8 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | 108.6 | 128.7 | 144.7 | 71.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 44 | S | 37.4 | Very low | 40.4 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 80 | 87.6 | 166 | 70.9 | 0 | 0 | 0 | 0 | 118.6 | N46 | S44-N46 PolarHBondContact O-N 3.17Š| ||
| 45 | I | 36 | Very low | 39.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 107.5 | 149.4 | -63 | 167.7 | 0 | 0 | 0 | 106.9 | ||||
| 46 | N | 34.7 | Very low | 39.1 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -125.6 | 104.9 | 157.9 | -91.8 | -12.5 | 0 | 0 | 0 | 108.1 | S44 T48 | S44-N46 PolarHBondContact O-N 3.17Å; N46-T48 PolarHBondContact O-N 3.08Å | ||
| 47 | F | 32.1 | Very low | 39 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -80.3 | 102.2 | 178 | -167.8 | -93.6 | 0 | 0 | 0 | 108.7 | ||||
| 48 | T | 37.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | -132.1 | 102.4 | 163.5 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | N46 | N46-T48 PolarHBondContact O-N 3.08Š| ||
| 49 | T | 31.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | 22.8 | 132.5 | 133.2 | 11.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 50 | E | 29.6 | Very low | 42.4 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | 88.6 | 78.3 | 151.6 | -61.4 | 178 | -176.8 | 0 | 0 | 119.3 | ||||
| 51 | K | 27.6 | Very low | 44.5 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 88% | 0.878 | 69% | 0.692 | S | S | * | * | 173.1 | 89.6 | 120 | -94.3 | 172 | -176.8 | 174.8 | 0 | 110.2 | S53 | K51-S53 PolarHBondContact O-N 3.13Š| |||
| 52 | S | 26.2 | Very low | 46.7 | Very low | 126 Ų | 126 | 121 Ų | 121 | 88% | 0.881 | 66% | 0.658 | S | S | * | * | trans | -78.4 | 81.6 | 173.4 | 57.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 53 | S | 32 | Very low | 49.2 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -103 | 87.9 | 159 | -66.3 | 0 | 0 | 0 | 0 | 107.5 | K51 A55 | K51-S53 PolarHBondContact O-N 3.13Å; S53-A55 PolarHBondContact O-N 3.24Å; S53-A55 VanDerWaalsContact O-N 3.07Å | ||
| 54 | Q | 34.4 | Very low | 51.8 | Low | 183 Ų | 183 | 114.9 Ų | 114.9 | 86% | 0.855 | 61% | 0.612 | S | S | * | * | trans | 16.9 | 77.1 | 169.3 | -71 | 179.6 | -19.8 | 0 | 0 | 115.5 | K56 | Q54-K56 PolarHBondContact O-N 3.1Š| ||
| 55 | A | 41.2 | Very low | 54.4 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 80% | 0.802 | 58% | 0.579 | S | S | * | * | trans | -63.7 | 108.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | S53 E57 | S53-A55 PolarHBondContact O-N 3.24Å; S53-A55 VanDerWaalsContact O-N 3.07Å; A55-E57 PolarHBondContact O-N 3.47Å; A55-E57 VanDerWaalsContact O-N 3.16Å | ||
| 56 | K | 54.7 | Low | 57 | Low | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | trans | -64.1 | 115.4 | 177.5 | -71.6 | -179.8 | 177.7 | -178.5 | 0 | 107.4 | I28 Q54 C58 | I28-K56 HydrophobicContact CG2-CD 4.15Å; Q54-K56 PolarHBondContact O-N 3.1Å; K56-C58 PolarHBondContact O-N 3.33Å | ||
| 57 | E | 59.5 | Low | 59.8 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | trans | -57 | 136.5 | 178.2 | -72.7 | 164.6 | -175.6 | 0 | 0 | 110.7 | A55 N59 K121 | A55-E57 PolarHBondContact O-N 3.47Å; A55-E57 VanDerWaalsContact O-N 3.16Å; E57-N59 VanDerWaalsContact C-N 3.34Å; E57-N59 PolarHBondContact O-N 2.93Å; E57-K121 VanDerWaalsContact CD-NZ 3.31Å; E57-K121 IonicContact OE1-NZ 3.73Å; E57-K121 PolarHBondContact OE1-NZ 2.84Å; E57-K121 IonicContact OE2-NZ 3.56Å; E57-K121 PolarHBondContact OE2-NZ 2.88Å | ||
| 58 | C | 70.1 | Confident | 62.7 | Low | 41 Ų | 41 | 93.5 Ų | 93.5 | 28% | 0.277 | 50% | 0.498 | S | S | . | . | trans | -66.2 | 88.5 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | C35 K56 | C35-C58 WeakPolarHBondContact CA-SG 3.32Å; C35-C58 HydrophobicContact CB-CB 4.02Å; C35-C58 WeakPolarHBondContact CB-SG 3.13Å; C35-C58 VanDerWaalsContact SG-CA 3.54Å; C35-C58 WeakPolarHBondContact SG-CB 3.49Å; C35-C58 CovalentContact SG-SG 2.01Å; C35-C58 PolarHBondContact SG-SG 3.42Å; K56-C58 PolarHBondContact O-N 3.33Å | ||
| 59 | N | 76 | Confident | 65.3 | Low | 44 Ų | 44 | 87.9 Ų | 87.9 | 24% | 0.235 | 46% | 0.464 | C | S | . | . | trans | -107.1 | 74.3 | -177.8 | -67.5 | -25.5 | 0 | 0 | 0 | 110.5 | F29 E57 E61 A62 | F29-N59 HydrophobicContact CD1-CB 4.4Å; E57-N59 VanDerWaalsContact C-N 3.34Å; E57-N59 PolarHBondContact O-N 2.93Å; N59-E61 PolarHBondContact O-N 2.94Å; N59-E61 VanDerWaalsContact O-N 3.15Å; N59-A62 HydrophobicContact CB-CB 4.11Å; N59-A62 VanDerWaalsContact O-CB 3.27Å; N59-A62 WeakPolarHBondContact O-CB 3.45Å; N59-A62 PolarHBondContact O-N 3.3Å | ||
| 60 | R | 80.9 | Confident | 68.4 | Low | 121 Ų | 121 | 82.9 Ų | 82.9 | 46% | 0.457 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56 | -31.8 | 177.8 | -64.4 | -176.3 | -176.4 | 172.1 | 3.6 | 112.6 | Y30 C35 A62 S63 I64 | Y30-R60 HydrophobicContact CD2-CB 4.03Å; Y30-R60 HydrophobicContact CD2-CG 3.95Å; Y30-R60 HydrophobicContact CE2-CB 4.27Å; Y30-R60 HydrophobicContact CE2-CG 4.23Å; C35-R60 PolarHBondContact O-NH2 3.23Å; C35-R60 VanDerWaalsContact O-NH2 3.13Å; R60-A62 PolarHBondContact O-N 3.41Å; R60-S63 PolarHBondContact O-N 3.08Å; R60-I64 PolarHBondContact O-N 3.28Å |
| 61 | E | 85.4 | Confident | 71.5 | Confident | 136 Ų | 136 | 78.4 Ų | 78.4 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.1 | -31.4 | 176.3 | -58.9 | 179.5 | -177.7 | 0 | 0 | 112.6 | N59 I64 L65 V120 | N59-E61 PolarHBondContact O-N 2.94Å; N59-E61 VanDerWaalsContact O-N 3.15Å; E61-I64 PolarHBondContact O-N 3.17Å; E61-L65 WeakPolarHBondContact O-CB 3.2Å; E61-L65 PolarHBondContact O-N 3.02Å; E61-V120 HydrophobicContact CB-CG1 4.5Å; E61-V120 HydrophobicContact CB-CG2 4.34Å |
| 62 | A | 85.2 | Confident | 74.7 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 7% | 0.066 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F29 N59 R60 L65 Y66 V120 | F29-A62 HydrophobicContact CD1-CB 4.48Å; F29-A62 HydrophobicContact CG-CB 4.34Å; N59-A62 HydrophobicContact CB-CB 4.11Å; N59-A62 VanDerWaalsContact O-CB 3.27Å; N59-A62 WeakPolarHBondContact O-CB 3.45Å; N59-A62 PolarHBondContact O-N 3.3Å; R60-A62 PolarHBondContact O-N 3.41Å; A62-L65 PolarHBondContact O-N 2.85Å; A62-Y66 WeakPolarHBondContact O-CB 3.18Å; A62-Y66 PolarHBondContact O-N 2.95Å; A62-V120 HydrophobicContact CB-CG1 4Å |
| 63 | S | 87.2 | Confident | 78 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.3 | -37 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | N25 F29 R60 Y66 L67 | N25-S63 PolarHBondContact O-OG 3.06Å; N25-S63 WeakPolarHBondContact OD1-CA 3.14Å; N25-S63 PolarHBondContact OD1-OG 3.02Å; F29-S63 WeakPolarHBondContact CB-OG 3.22Å; R60-S63 PolarHBondContact O-N 3.08Å; S63-Y66 WeakPolarHBondContact O-CB 3.21Å; S63-Y66 PolarHBondContact O-N 3.37Å; S63-L67 PolarHBondContact O-N 2.78Å |
| 64 | I | 89.7 | Confident | 80.9 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 175.8 | -61.9 | 170.9 | 0 | 0 | 0 | 109.9 | R60 E61 Y66 L67 L68 | R60-I64 PolarHBondContact O-N 3.28Å; E61-I64 PolarHBondContact O-N 3.17Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 3.36Å; I64-L67 PolarHBondContact O-N 2.98Å; I64-L68 WeakPolarHBondContact O-CB 3.47Å; I64-L68 PolarHBondContact O-N 3.49Å |
| 65 | L | 90.7 | Very high | 83.9 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 175.5 | -176.7 | 61.8 | 0 | 0 | 0 | 111.8 | E61 A62 L68 L69 F117 V120 I122 | E61-L65 WeakPolarHBondContact O-CB 3.2Å; E61-L65 PolarHBondContact O-N 3.02Å; A62-L65 PolarHBondContact O-N 2.85Å; L65-L68 HydrophobicContact CD1-CD2 4.38Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-L69 HydrophobicContact CD1-CD1 4.14Å; L65-L69 HydrophobicContact CD1-CG 4.09Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 2.95Å; L65-L69 PolarHBondContact O-N 2.94Å; L65-F117 HydrophobicContact CD1-CB 4.08Å; L65-F117 HydrophobicContact CD1-CD1 4.08Å; L65-F117 HydrophobicContact CD1-CD2 3.44Å; L65-F117 VanDerWaalsContact CD1-CD2 3.44Å; L65-F117 HydrophobicContact CD1-CE1 4.38Å; L65-F117 HydrophobicContact CD1-CE2 3.78Å; L65-F117 HydrophobicContact CD1-CG 3.59Å; L65-F117 HydrophobicContact CD1-CZ 4.24Å; L65-F117 HydrophobicContact CD2-CB 3.6Å; L65-F117 HydrophobicContact CD2-CG 4.02Å; L65-F117 HydrophobicContact CG-CG 4.48Å; L65-V120 HydrophobicContact CD2-CB 3.77Å; L65-V120 HydrophobicContact CD2-CG1 3.8Å; L65-V120 HydrophobicContact CD2-CG2 4.22Å; L65-I122 HydrophobicContact CD2-CD1 3.77Å; L65-I122 HydrophobicContact CD2-CG1 3.76Å |
| 66 | Y | 91.4 | Very high | 86.4 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 173.6 | -163.3 | -76.4 | 0 | 0 | 0 | 111.1 | L22 N25 A62 S63 I64 L68 L69 M70 D275 | L22-Y66 HydrophobicContact CB-CE1 4.44Å; L22-Y66 HydrophobicContact CD1-CD1 3.55Å; L22-Y66 HydrophobicContact CD1-CE1 4.08Å; N25-Y66 HydrophobicContact CB-CD2 4.2Å; N25-Y66 HydrophobicContact CB-CE2 4.28Å; N25-Y66 HydrophobicContact CB-CG 4.38Å; N25-Y66 VanDerWaalsContact ND2-CD2 3.33Å; N25-Y66 WeakPolarHBondContact ND2-CD2 3.3Å; A62-Y66 WeakPolarHBondContact O-CB 3.18Å; A62-Y66 PolarHBondContact O-N 2.95Å; S63-Y66 WeakPolarHBondContact O-CB 3.21Å; S63-Y66 PolarHBondContact O-N 3.37Å; I64-Y66 VanDerWaalsContact C-N 3.3Å; I64-Y66 PolarHBondContact O-N 3.36Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 2.94Å; Y66-L69 PolarHBondContact O-N 2.96Å; Y66-M70 VanDerWaalsContact O-CB 3.25Å; Y66-M70 WeakPolarHBondContact O-CB 3.34Å; Y66-M70 PolarHBondContact O-N 3.31Å; Y66-D275 PolarHBondContact OH-OD2 3.36Å |
| 67 | L | 92.8 | Very high | 88.2 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 29% | 0.293 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.5 | -176.5 | 73.2 | 0 | 0 | 0 | 111.4 | L22 Y26 S63 I64 M70 L71 | L22-L67 HydrophobicContact CD1-CB 4.28Å; L22-L67 HydrophobicContact CD1-CD1 4.02Å; L22-L67 HydrophobicContact CD2-CD1 3.83Å; Y26-L67 HydrophobicContact CE2-CB 4.45Å; S63-L67 PolarHBondContact O-N 2.78Å; I64-L67 PolarHBondContact O-N 2.98Å; L67-M70 HydrophobicContact CD1-CE 4.12Å; L67-M70 PolarHBondContact O-N 2.88Å; L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.03Å; L67-L71 WeakPolarHBondContact O-CB 2.96Å; L67-L71 PolarHBondContact O-N 3.49Å |
| 68 | L | 93.7 | Very high | 89.7 | Confident | 86 Ų | 86 | 47 Ų | 47 | 45% | 0.45 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | -179.9 | -177.3 | 142.9 | 0 | 0 | 0 | 112 | I64 L65 Y66 G72 | I64-L68 WeakPolarHBondContact O-CB 3.47Å; I64-L68 PolarHBondContact O-N 3.49Å; L65-L68 HydrophobicContact CD1-CD2 4.38Å; L65-L68 PolarHBondContact O-N 3.35Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 2.94Å; L68-G72 VanDerWaalsContact O-CA 3.3Å; L68-G72 WeakPolarHBondContact O-CA 3.22Å; L68-G72 PolarHBondContact O-N 2.88Å |
| 69 | L | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | 177.7 | -70.8 | 172.2 | 0 | 0 | 0 | 111.8 | L65 Y66 T73 M109 I122 P270 S272 V273 | L65-L69 HydrophobicContact CD1-CD1 4.14Å; L65-L69 HydrophobicContact CD1-CG 4.09Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 VanDerWaalsContact O-CG 3.31Å; L65-L69 WeakPolarHBondContact O-CG 2.95Å; L65-L69 PolarHBondContact O-N 2.94Å; Y66-L69 PolarHBondContact O-N 2.96Å; L69-T73 WeakPolarHBondContact O-CB 3.29Å; L69-T73 VanDerWaalsContact O-CG2 3.32Å; L69-T73 WeakPolarHBondContact O-CG2 3.3Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.4Å; L69-M109 HydrophobicContact CD2-CB 4.4Å; L69-M109 WeakPolarHBondContact CD2-O 3.47Å; L69-I122 HydrophobicContact CD1-CD1 4.42Å; L69-P270 HydrophobicContact CD1-CB 4.26Å; L69-P270 HydrophobicContact CD1-CG 4.25Å; L69-S272 WeakPolarHBondContact CB-OG 3.32Å; L69-S272 WeakPolarHBondContact CD1-OG 3.33Å; L69-V273 HydrophobicContact CB-CG2 4.27Å |
| 70 | M | 94.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 178.7 | -172.8 | -163.9 | 73 | 0 | 0 | 112.1 | L22 Y66 L67 T73 L74 S272 D275 G276 L279 | L22-M70 HydrophobicContact CB-SD 4.34Å; L22-M70 HydrophobicContact CD1-CE 4.41Å; L22-M70 HydrophobicContact CD1-SD 4.36Å; L22-M70 HydrophobicContact CD2-CE 3.91Å; L22-M70 HydrophobicContact CD2-SD 4.42Å; Y66-M70 VanDerWaalsContact O-CB 3.25Å; Y66-M70 WeakPolarHBondContact O-CB 3.34Å; Y66-M70 PolarHBondContact O-N 3.31Å; L67-M70 HydrophobicContact CD1-CE 4.12Å; L67-M70 PolarHBondContact O-N 2.88Å; M70-T73 PolarHBondContact O-OG1 3.13Å; M70-L74 PolarHBondContact O-N 3.48Å; M70-S272 WeakPolarHBondContact CA-O 3.44Å; M70-D275 HydrophobicContact CG-CB 4.17Å; M70-D275 HydrophobicContact SD-CB 4.42Å; M70-G276 WeakPolarHBondContact O-CA 3.15Å; M70-L279 HydrophobicContact CE-CD1 3.85Å; M70-L279 HydrophobicContact CG-CD1 3.87Å; M70-L279 HydrophobicContact SD-CD1 3.85Å |
| 71 | L | 95.6 | Very high | 91.7 | Very high | 82 Ų | 82 | 43.7 Ų | 43.7 | 43% | 0.429 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.4 | -33 | 176.3 | -66.9 | 179.7 | 0 | 0 | 0 | 112.1 | L67 L74 W75 | L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.03Å; L67-L71 WeakPolarHBondContact O-CB 2.96Å; L67-L71 PolarHBondContact O-N 3.49Å; L71-L74 PolarHBondContact O-N 3.07Å; L71-W75 VanDerWaalsContact O-CB 3.29Å; L71-W75 WeakPolarHBondContact O-CB 3.38Å; L71-W75 PolarHBondContact O-N 3.34Å |
| 72 | G | 95.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L68 L76 | L68-G72 VanDerWaalsContact O-CA 3.3Å; L68-G72 WeakPolarHBondContact O-CA 3.22Å; L68-G72 PolarHBondContact O-N 2.88Å; G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 PolarHBondContact O-N 2.98Å |
| 73 | T | 94.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 172.5 | 42.3 | 0 | 0 | 0 | 0 | 112.1 | L69 M70 G77 M109 V273 G276 | L69-T73 WeakPolarHBondContact O-CB 3.29Å; L69-T73 VanDerWaalsContact O-CG2 3.32Å; L69-T73 WeakPolarHBondContact O-CG2 3.3Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 PolarHBondContact O-OG1 3.4Å; M70-T73 PolarHBondContact O-OG1 3.13Å; T73-G77 PolarHBondContact O-N 3.26Å; T73-M109 HydrophobicContact CG2-CB 3.39Å; T73-M109 HydrophobicContact CG2-CG 3.48Å; T73-M109 VanDerWaalsContact CG2-CG 3.48Å; T73-V273 HydrophobicContact CG2-CB 4.07Å; T73-V273 HydrophobicContact CG2-CG1 3.72Å; T73-V273 HydrophobicContact CG2-CG2 4Å; T73-G276 VanDerWaalsContact OG1-CA 3.28Å; T73-G276 WeakPolarHBondContact OG1-CA 3.4Å |
| 74 | L | 94.2 | Very high | 91.5 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 176 | 176.2 | 65.6 | 0 | 0 | 0 | 111.6 | M70 L71 S78 L279 | M70-L74 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 3.07Å; L74-S78 VanDerWaalsContact O-CB 3.26Å; L74-S78 WeakPolarHBondContact O-CB 3.37Å; L74-S78 PolarHBondContact O-N 2.76Å; L74-S78 PolarHBondContact O-OG 2.73Å; L74-L279 HydrophobicContact CD1-CB 4.16Å; L74-L279 HydrophobicContact CD2-CB 4.36Å |
| 75 | W | 95.6 | Very high | 91 | Very high | 166 Ų | 166 | 45.9 Ų | 45.9 | 63% | 0.629 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.3 | -49.4 | -179.5 | 179.4 | 79.8 | 0 | 0 | 0 | 111.4 | L71 G77 S78 F79 | L71-W75 VanDerWaalsContact O-CB 3.29Å; L71-W75 WeakPolarHBondContact O-CB 3.38Å; L71-W75 PolarHBondContact O-N 3.34Å; W75-G77 PolarHBondContact O-N 3.07Å; W75-S78 PolarHBondContact O-N 3.04Å; W75-F79 WeakPolarHBondContact O-CB 3.4Å; W75-F79 PolarHBondContact O-N 3.38Å |
| 76 | L | 94.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 179.6 | -176.6 | 62.9 | 0 | 0 | 0 | 111.3 | G72 S78 F79 I80 A105 V108 M109 | G72-L76 WeakPolarHBondContact O-CB 3.27Å; G72-L76 PolarHBondContact O-N 2.98Å; L76-S78 PolarHBondContact O-N 2.94Å; L76-F79 PolarHBondContact O-N 2.87Å; L76-I80 HydrophobicContact CD1-CD1 3.98Å; L76-I80 HydrophobicContact CD1-CG1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.49Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.2Å; L76-I80 PolarHBondContact O-N 3.25Å; L76-A105 HydrophobicContact CB-CB 4.31Å; L76-A105 HydrophobicContact CD2-CB 4.2Å; L76-A105 HydrophobicContact CG-CB 4.16Å; L76-V108 HydrophobicContact CD2-CB 3.74Å; L76-V108 HydrophobicContact CD2-CG1 3.71Å; L76-V108 HydrophobicContact CD2-CG2 4.37Å; L76-M109 HydrophobicContact CB-CE 4.29Å; L76-M109 HydrophobicContact CD2-CE 3.72Å; L76-M109 HydrophobicContact CD2-CG 4.41Å |
| 77 | G | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | T73 W75 Y81 Y280 | T73-G77 PolarHBondContact O-N 3.26Å; W75-G77 PolarHBondContact O-N 3.07Å; G77-Y81 WeakPolarHBondContact O-CB 3.32Å; G77-Y81 PolarHBondContact O-N 3.26Å; G77-Y280 VanDerWaalsContact C-CE2 3.41Å |
| 78 | S | 90.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 26% | 0.259 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | L74 W75 L76 N82 | L74-S78 VanDerWaalsContact O-CB 3.26Å; L74-S78 WeakPolarHBondContact O-CB 3.37Å; L74-S78 PolarHBondContact O-N 2.76Å; L74-S78 PolarHBondContact O-OG 2.73Å; W75-S78 PolarHBondContact O-N 3.04Å; L76-S78 PolarHBondContact O-N 2.94Å; S78-N82 VanDerWaalsContact O-CB 3.28Å; S78-N82 WeakPolarHBondContact O-CB 3.3Å; S78-N82 VanDerWaalsContact O-CG 3.27Å; S78-N82 PolarHBondContact O-N 3.06Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 VanDerWaalsContact O-ND2 3.16Å |
| 79 | F | 91.8 | Very high | 89.4 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -53.9 | 176.1 | 179.9 | -124.3 | 0 | 0 | 0 | 110.1 | W75 L76 Y81 N82 F83 | W75-F79 WeakPolarHBondContact O-CB 3.4Å; W75-F79 PolarHBondContact O-N 3.38Å; L76-F79 PolarHBondContact O-N 2.87Å; F79-Y81 VanDerWaalsContact C-N 3.3Å; F79-Y81 PolarHBondContact O-N 2.88Å; F79-N82 PolarHBondContact O-N 3.45Å; F79-N82 VanDerWaalsContact O-N 3.12Å; F79-F83 HydrophobicContact CD1-CD2 4.37Å; F79-F83 AromaticContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CZ 4.46Å; F79-F83 HydrophobicContact CD2-CD2 4.46Å; F79-F83 AromaticContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CE1-CD2 4.42Å; F79-F83 AromaticContact CE1-CE2 3.27Å; F79-F83 HydrophobicContact CE1-CE2 3.27Å; F79-F83 AromaticContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE2-CD2 4.46Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CG-CD2 4.41Å; F79-F83 AromaticContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CZ-CD2 4.46Å; F79-F83 AromaticContact CZ-CE2 3.21Å; F79-F83 HydrophobicContact CZ-CE2 3.21Å; F79-F83 AromaticContact CZ-CZ 3.34Å; F79-F83 HydrophobicContact CZ-CZ 3.34Å; F79-F83 WeakPolarHBondContact O-CD2 3.42Å; F79-F83 PolarHBondContact O-N 2.85Å |
| 80 | I | 91.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 178.2 | -62.7 | 170.3 | 0 | 0 | 0 | 110.9 | L76 F83 L97 A101 V104 | L76-I80 HydrophobicContact CD1-CD1 3.98Å; L76-I80 HydrophobicContact CD1-CG1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.49Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 WeakPolarHBondContact O-CG1 3.2Å; L76-I80 PolarHBondContact O-N 3.25Å; I80-F83 WeakPolarHBondContact O-CB 3.4Å; I80-F83 PolarHBondContact O-N 3.45Å; I80-L97 HydrophobicContact CG2-CD1 3.66Å; I80-L97 HydrophobicContact CG2-CD2 4.29Å; I80-L97 HydrophobicContact CG2-CG 3.56Å; I80-L97 VanDerWaalsContact CG2-O 3.28Å; I80-L97 WeakPolarHBondContact CG2-O 3.37Å; I80-A101 HydrophobicContact CB-CB 3.82Å; I80-A101 HydrophobicContact CG2-CB 3.54Å; I80-V104 HydrophobicContact CD1-CB 4.31Å; I80-V104 HydrophobicContact CD1-CG1 3.84Å |
| 81 | Y | 86.2 | Confident | 88.7 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.4 | -178.2 | -98.7 | 0 | 0 | 0 | 112.5 | G77 F79 F83 R84 R219 | G77-Y81 WeakPolarHBondContact O-CB 3.32Å; G77-Y81 PolarHBondContact O-N 3.26Å; F79-Y81 VanDerWaalsContact C-N 3.3Å; F79-Y81 PolarHBondContact O-N 2.88Å; Y81-F83 PolarHBondContact O-N 3.34Å; Y81-R84 VanDerWaalsContact O-CB 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.15Å; Y81-R84 PolarHBondContact O-N 3.09Å; Y81-R84 VanDerWaalsContact O-N 3.14Å; Y81-R84 PolarHBondContact OH-NH2 3.42Å; Y81-R219 PolarHBondContact OH-NH2 2.91Å |
| 82 | N | 85.6 | Confident | 88.1 | Confident | 78 Ų | 78 | 69 Ų | 69 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.3 | -18.3 | 178.7 | -77 | -33.4 | 0 | 0 | 0 | 113.6 | S78 F79 R84 K85 | S78-N82 VanDerWaalsContact O-CB 3.28Å; S78-N82 WeakPolarHBondContact O-CB 3.3Å; S78-N82 VanDerWaalsContact O-CG 3.27Å; S78-N82 PolarHBondContact O-N 3.06Å; S78-N82 PolarHBondContact O-ND2 3.39Å; S78-N82 VanDerWaalsContact O-ND2 3.16Å; F79-N82 PolarHBondContact O-N 3.45Å; F79-N82 VanDerWaalsContact O-N 3.12Å; N82-R84 PolarHBondContact O-N 3.45Å; N82-K85 PolarHBondContact O-N 2.95Å |
| 83 | F | 85.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -55.8 | -24.2 | 169.6 | -90.2 | -87.8 | 0 | 0 | 0 | 112.4 | F79 I80 Y81 K85 T86 R94 L97 | F79-F83 HydrophobicContact CD1-CD2 4.37Å; F79-F83 AromaticContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CE2 3.57Å; F79-F83 HydrophobicContact CD1-CZ 4.46Å; F79-F83 HydrophobicContact CD2-CD2 4.46Å; F79-F83 AromaticContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CD2-CE2 3.79Å; F79-F83 HydrophobicContact CE1-CD2 4.42Å; F79-F83 AromaticContact CE1-CE2 3.27Å; F79-F83 HydrophobicContact CE1-CE2 3.27Å; F79-F83 AromaticContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE1-CZ 3.74Å; F79-F83 HydrophobicContact CE2-CD2 4.46Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CE2-CZ 3.8Å; F79-F83 HydrophobicContact CG-CD2 4.41Å; F79-F83 AromaticContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CG-CE2 3.84Å; F79-F83 HydrophobicContact CZ-CD2 4.46Å; F79-F83 AromaticContact CZ-CE2 3.21Å; F79-F83 HydrophobicContact CZ-CE2 3.21Å; F79-F83 AromaticContact CZ-CZ 3.34Å; F79-F83 HydrophobicContact CZ-CZ 3.34Å; F79-F83 WeakPolarHBondContact O-CD2 3.42Å; F79-F83 PolarHBondContact O-N 2.85Å; I80-F83 WeakPolarHBondContact O-CB 3.4Å; I80-F83 PolarHBondContact O-N 3.45Å; Y81-F83 PolarHBondContact O-N 3.34Å; F83-K85 PolarHBondContact O-N 2.86Å; F83-T86 HydrophobicContact CD1-CG2 4.42Å; F83-T86 PolarHBondContact O-N 3.08Å; F83-T86 PolarHBondContact O-OG1 3.07Å; F83-R94 VanDerWaalsContact O-CD 3.31Å; F83-R94 WeakPolarHBondContact O-CD 3.42Å; F83-L97 HydrophobicContact CB-CD2 4.42Å |
| 84 | R | 82.2 | Confident | 87.4 | Confident | 14 Ų | 14 | 76.5 Ų | 76.5 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -54.3 | -33.8 | 173.3 | -166.5 | 176.1 | 66.4 | -146.4 | -8.2 | 113.6 | Y81 N82 R94 A98 E235 | Y81-R84 VanDerWaalsContact O-CB 3.31Å; Y81-R84 WeakPolarHBondContact O-CB 3.15Å; Y81-R84 PolarHBondContact O-N 3.09Å; Y81-R84 VanDerWaalsContact O-N 3.14Å; Y81-R84 PolarHBondContact OH-NH2 3.42Å; N82-R84 PolarHBondContact O-N 3.45Å; R84-R94 HydrophobicContact CB-CG 4.43Å; R84-R94 HydrophobicContact CG-CG 4.5Å; R84-R94 WeakPolarHBondContact O-CD 3.32Å; R84-R94 PolarHBondContact O-NE 3.07Å; R84-R94 PolarHBondContact O-NH1 3.26Å; R84-R94 PolarHBondContact O-NH2 3.29Å; R84-A98 HydrophobicContact CB-CB 4.3Å; R84-E235 IonicContact CZ-OE1 2.64Å; R84-E235 IonicContact CZ-OE2 2.99Å; R84-E235 IonicContact NE-OE1 3.58Å; R84-E235 IonicContact NH2-OE1 3.59Å; R84-E235 PolarHBondContact NH2-OE1 2.84Å; R84-E235 IonicContact NH2-OE2 2.9Å; R84-E235 PolarHBondContact NH2-OE2 3.45Å |
| 85 | K | 79.6 | Confident | 86.9 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -85.2 | -13.4 | -179.6 | -61.6 | -178.5 | 179.9 | 179.1 | 0 | 113.1 | N82 F83 | N82-K85 PolarHBondContact O-N 2.95Å; F83-K85 PolarHBondContact O-N 2.86Å |
| 86 | T | 84 | Confident | 86.5 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 23% | 0.233 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -80.1 | 149.3 | -177.5 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | F83 Y88 R94 | F83-T86 HydrophobicContact CD1-CG2 4.42Å; F83-T86 PolarHBondContact O-N 3.08Å; F83-T86 PolarHBondContact O-OG1 3.07Å; T86-Y88 PolarHBondContact O-N 2.92Å; T86-R94 PolarHBondContact O-NH1 3.44Å |
| 87 | P | 82.3 | Confident | 86.2 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 76% | 0.76 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -76.3 | -1.7 | 177.8 | 32.5 | -36.5 | 0 | 0 | 0 | 113.2 | ||
| 88 | Y | 83.4 | Confident | 85.8 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | trans | -80.1 | 144 | -179.9 | -56 | -67.3 | 0 | 0 | 0 | 110.7 | T86 | T86-Y88 PolarHBondContact O-N 2.92Š| ||
| 89 | L | 84.9 | Confident | 85.5 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 55% | 0.55 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 70.2 | 157.7 | -176.3 | -70.5 | 70.1 | 0 | 0 | 0 | 115.4 | K93 | L89-K93 HydrophobicContact CD2-CB 4.2Š|
| 90 | T | 87.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | trans | -65.2 | 143.5 | 171.6 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | A92 K93 R94 | T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 3.45Å; T90-A92 VanDerWaalsContact O-N 3.11Å; T90-K93 PolarHBondContact O-N 2.87Å; T90-K93 WeakPolarHBondContact OG1-CD 3.4Å; T90-K93 VanDerWaalsContact OG1-CG 3.28Å; T90-K93 WeakPolarHBondContact OG1-CG 3.44Å; T90-R94 PolarHBondContact O-N 3.3Å; T90-R94 VanDerWaalsContact O-N 3.15Å | ||
| 91 | R | 84 | Confident | 85.3 | Confident | 164 Ų | 164 | 79.6 Ų | 79.6 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -45.2 | -45.9 | -179.5 | -173.5 | 177.7 | 179.3 | -175.2 | -1.3 | 114 | R94 E95 | R91-R94 PolarHBondContact O-N 3.46Å; R91-E95 PolarHBondContact O-N 3.29Å |
| 92 | A | 84.7 | Confident | 85.3 | Confident | 67 Ų | 67 | 80 Ų | 80 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T90 R94 E95 I96 | T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 3.45Å; T90-A92 VanDerWaalsContact O-N 3.11Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 PolarHBondContact O-N 3.4Å; A92-E95 PolarHBondContact O-N 2.94Å; A92-I96 VanDerWaalsContact O-CG1 3.32Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 2.69Å; A92-I96 VanDerWaalsContact O-N 3.11Å |
| 93 | K | 88.3 | Confident | 85.5 | Confident | 131 Ų | 131 | 79.7 Ų | 79.7 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -35.7 | 178.2 | -67.8 | -179 | -176 | -178.7 | 0 | 111.8 | L89 T90 L97 | L89-K93 HydrophobicContact CD2-CB 4.2Å; T90-K93 PolarHBondContact O-N 2.87Å; T90-K93 WeakPolarHBondContact OG1-CD 3.4Å; T90-K93 VanDerWaalsContact OG1-CG 3.28Å; T90-K93 WeakPolarHBondContact OG1-CG 3.44Å; K93-L97 VanDerWaalsContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 2.87Å |
| 94 | R | 86.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 179.4 | -173.8 | 177.9 | 73 | -179.8 | 7.6 | 112.1 | F83 R84 T86 T90 R91 A92 L97 A98 | F83-R94 VanDerWaalsContact O-CD 3.31Å; F83-R94 WeakPolarHBondContact O-CD 3.42Å; R84-R94 HydrophobicContact CB-CG 4.43Å; R84-R94 HydrophobicContact CG-CG 4.5Å; R84-R94 WeakPolarHBondContact O-CD 3.32Å; R84-R94 PolarHBondContact O-NE 3.07Å; R84-R94 PolarHBondContact O-NH1 3.26Å; R84-R94 PolarHBondContact O-NH2 3.29Å; T86-R94 PolarHBondContact O-NH1 3.44Å; T90-R94 PolarHBondContact O-N 3.3Å; T90-R94 VanDerWaalsContact O-N 3.15Å; R91-R94 PolarHBondContact O-N 3.46Å; A92-R94 VanDerWaalsContact C-N 3.26Å; A92-R94 PolarHBondContact O-N 3.4Å; R94-L97 PolarHBondContact O-N 3.19Å; R94-A98 WeakPolarHBondContact O-CB 3.38Å; R94-A98 PolarHBondContact O-N 3.05Å |
| 95 | E | 83 | Confident | 86.4 | Confident | 51 Ų | 51 | 79.1 Ų | 79.1 | 24% | 0.238 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 174.5 | -159.8 | 63.9 | -164.3 | 0 | 0 | 111.1 | R91 A92 L97 A98 D99 | R91-E95 PolarHBondContact O-N 3.29Å; A92-E95 PolarHBondContact O-N 2.94Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.47Å; E95-A98 PolarHBondContact O-N 3.48Å; E95-D99 PolarHBondContact O-N 2.91Å |
| 96 | I | 87 | Confident | 86.9 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.5 | -45.8 | 175.7 | -68.8 | 167.9 | 0 | 0 | 0 | 110.8 | A92 A98 D99 Y100 | A92-I96 VanDerWaalsContact O-CG1 3.32Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 2.69Å; A92-I96 VanDerWaalsContact O-N 3.11Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.29Å; I96-D99 PolarHBondContact O-N 2.99Å; I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.89Å; I96-Y100 WeakPolarHBondContact O-CD2 3.49Å; I96-Y100 PolarHBondContact O-N 3.01Å |
| 97 | L | 88.7 | Confident | 87.3 | Confident | 57 Ų | 57 | 78 Ų | 78 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 179.8 | -178.4 | 63.6 | 0 | 0 | 0 | 112.1 | I80 F83 K93 R94 E95 A101 | I80-L97 HydrophobicContact CG2-CD1 3.66Å; I80-L97 HydrophobicContact CG2-CD2 4.29Å; I80-L97 HydrophobicContact CG2-CG 3.56Å; I80-L97 VanDerWaalsContact CG2-O 3.28Å; I80-L97 WeakPolarHBondContact CG2-O 3.37Å; F83-L97 HydrophobicContact CB-CD2 4.42Å; K93-L97 VanDerWaalsContact O-CB 3.26Å; K93-L97 WeakPolarHBondContact O-CB 3.46Å; K93-L97 PolarHBondContact O-N 2.87Å; R94-L97 PolarHBondContact O-N 3.19Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.47Å; L97-A101 WeakPolarHBondContact O-CA 3.37Å; L97-A101 PolarHBondContact O-N 2.94Å |
| 98 | A | 84.2 | Confident | 87.8 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R84 R94 E95 I96 A101 | R84-A98 HydrophobicContact CB-CB 4.3Å; R94-A98 WeakPolarHBondContact O-CB 3.38Å; R94-A98 PolarHBondContact O-N 3.05Å; E95-A98 PolarHBondContact O-N 3.48Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.29Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.07Å |
| 99 | D | 85 | Confident | 88.2 | Confident | 87 Ų | 87 | 69 Ų | 69 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.1 | -69 | -25.2 | 0 | 0 | 0 | 111.9 | E95 I96 A101 | E95-D99 PolarHBondContact O-N 2.91Å; I96-D99 PolarHBondContact O-N 2.99Å; D99-A101 VanDerWaalsContact C-N 3.33Å |
| 100 | Y | 88.9 | Confident | 88.5 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.4 | 176.8 | -69.1 | -65.8 | 0 | 0 | 0 | 114.1 | I96 L102 P103 V104 | I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.89Å; I96-Y100 WeakPolarHBondContact O-CD2 3.49Å; I96-Y100 PolarHBondContact O-N 3.01Å; Y100-L102 PolarHBondContact O-N 3.19Å; Y100-L102 VanDerWaalsContact O-N 3.17Å; Y100-P103 WeakPolarHBondContact O-CD 3.48Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.34Å; Y100-V104 WeakPolarHBondContact O-CG2 3.29Å; Y100-V104 PolarHBondContact O-N 3.19Å |
| 101 | A | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.3 | -42.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I80 L97 A98 D99 A105 | I80-A101 HydrophobicContact CB-CB 3.82Å; I80-A101 HydrophobicContact CG2-CB 3.54Å; L97-A101 WeakPolarHBondContact O-CA 3.37Å; L97-A101 PolarHBondContact O-N 2.94Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.07Å; D99-A101 VanDerWaalsContact C-N 3.33Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.07Å |
| 102 | L | 86.6 | Confident | 88.8 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.6 | -54 | -175.8 | -178.4 | 68.8 | 0 | 0 | 0 | 113 | Y100 V104 A105 V106 L277 Y280 | Y100-L102 PolarHBondContact O-N 3.19Å; Y100-L102 VanDerWaalsContact O-N 3.17Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.39Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.31Å; L102-L277 HydrophobicContact CD1-CD1 3.21Å; L102-L277 HydrophobicContact CD1-CG 4.44Å; L102-L277 HydrophobicContact CD2-CD1 3.47Å; L102-L277 VanDerWaalsContact CD2-CD1 3.47Å; L102-L277 HydrophobicContact CG-CD1 3.64Å; L102-Y280 HydrophobicContact CB-CE1 4.19Å; L102-Y280 HydrophobicContact CD1-CD1 3.45Å; L102-Y280 VanDerWaalsContact CD1-CD1 3.45Å; L102-Y280 HydrophobicContact CD1-CE1 3.9Å; L102-Y280 HydrophobicContact CD1-CG 4.11Å; L102-Y280 HydrophobicContact CG-CD1 4.41Å; L102-Y280 HydrophobicContact CG-CE1 4.47Å |
| 103 | P | 89.9 | Confident | 88.9 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.7 | -41.8 | 172.2 | -26.8 | 33.4 | 0 | 0 | 0 | 113.4 | Y100 V106 M107 | Y100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-V106 PolarHBondContact O-N 2.91Å; P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 WeakPolarHBondContact O-CG 3.04Å; P103-M107 PolarHBondContact O-N 2.88Å |
| 104 | V | 92.3 | Very high | 88.6 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 179.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | I80 Y100 L102 V106 M107 V108 | I80-V104 HydrophobicContact CD1-CB 4.31Å; I80-V104 HydrophobicContact CD1-CG1 3.84Å; Y100-V104 VanDerWaalsContact O-CB 3.31Å; Y100-V104 WeakPolarHBondContact O-CB 3.34Å; Y100-V104 WeakPolarHBondContact O-CG2 3.29Å; Y100-V104 PolarHBondContact O-N 3.19Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.36Å; V104-V106 PolarHBondContact O-N 3.06Å; V104-M107 PolarHBondContact O-N 2.83Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.3Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.42Å |
| 105 | A | 93.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L76 A101 L102 M109 | L76-A105 HydrophobicContact CB-CB 4.31Å; L76-A105 HydrophobicContact CD2-CB 4.2Å; L76-A105 HydrophobicContact CG-CB 4.16Å; A101-A105 VanDerWaalsContact O-CB 3.26Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.07Å; L102-A105 PolarHBondContact O-N 3.39Å; A105-M109 WeakPolarHBondContact O-CB 3.41Å; A105-M109 WeakPolarHBondContact O-CG 3.25Å; A105-M109 PolarHBondContact O-N 3.03Å |
| 106 | V | 91.3 | Very high | 88.5 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 13% | 0.127 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | L102 P103 V104 T110 V273 L277 | L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.31Å; P103-V106 PolarHBondContact O-N 2.91Å; V104-V106 PolarHBondContact O-N 3.06Å; V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 3.48Å; V106-T110 PolarHBondContact O-OG1 3.39Å; V106-V273 HydrophobicContact CB-CG1 4.14Å; V106-V273 HydrophobicContact CG1-CG1 3.78Å; V106-V273 HydrophobicContact CG2-CG1 4.16Å; V106-L277 HydrophobicContact CG2-CB 4.41Å |
| 107 | M | 91.5 | Very high | 88.2 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.2 | -46.3 | -179.8 | -71.7 | -67.5 | -73.5 | 0 | 0 | 112.1 | P103 V104 T110 F111 | P103-M107 WeakPolarHBondContact O-CB 3.33Å; P103-M107 WeakPolarHBondContact O-CG 3.04Å; P103-M107 PolarHBondContact O-N 2.88Å; V104-M107 PolarHBondContact O-N 2.83Å; M107-T110 PolarHBondContact O-N 3.37Å; M107-F111 VanDerWaalsContact O-CB 3.3Å; M107-F111 WeakPolarHBondContact O-CB 3.37Å; M107-F111 PolarHBondContact O-N 2.72Å |
| 108 | V | 93.2 | Very high | 87.2 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | -179.5 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L76 V104 F111 T112 | L76-V108 HydrophobicContact CD2-CB 3.74Å; L76-V108 HydrophobicContact CD2-CG1 3.71Å; L76-V108 HydrophobicContact CD2-CG2 4.37Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.3Å; V104-V108 VanDerWaalsContact O-CG2 3.28Å; V104-V108 WeakPolarHBondContact O-CG2 3.44Å; V104-V108 PolarHBondContact O-N 3.42Å; V108-F111 PolarHBondContact O-N 2.98Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 PolarHBondContact O-N 3.38Å; V108-T112 PolarHBondContact O-OG1 3.41Å |
| 109 | M | 92.7 | Very high | 86.3 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.3 | -33.8 | 179.2 | -68.8 | -67 | 139.7 | 0 | 0 | 112.6 | L69 T73 L76 A105 T112 G113 V273 | L69-M109 HydrophobicContact CD2-CB 4.4Å; L69-M109 WeakPolarHBondContact CD2-O 3.47Å; T73-M109 HydrophobicContact CG2-CB 3.39Å; T73-M109 HydrophobicContact CG2-CG 3.48Å; T73-M109 VanDerWaalsContact CG2-CG 3.48Å; L76-M109 HydrophobicContact CB-CE 4.29Å; L76-M109 HydrophobicContact CD2-CE 3.72Å; L76-M109 HydrophobicContact CD2-CG 4.41Å; A105-M109 WeakPolarHBondContact O-CB 3.41Å; A105-M109 WeakPolarHBondContact O-CG 3.25Å; A105-M109 PolarHBondContact O-N 3.03Å; M109-T112 PolarHBondContact O-N 3.43Å; M109-G113 PolarHBondContact O-N 2.93Å; M109-V273 HydrophobicContact CB-CG2 3.97Å |
| 110 | T | 89.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 72 Ų | 72 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 170.6 | -63 | 0 | 0 | 0 | 0 | 110.9 | V106 M107 T112 G113 S114 L268 I269 | V106-T110 WeakPolarHBondContact O-CB 3.45Å; V106-T110 PolarHBondContact O-N 3.48Å; V106-T110 PolarHBondContact O-OG1 3.39Å; M107-T110 PolarHBondContact O-N 3.37Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-T112 PolarHBondContact O-N 3.09Å; T110-G113 PolarHBondContact O-N 3.19Å; T110-S114 WeakPolarHBondContact O-CB 3.22Å; T110-S114 PolarHBondContact O-N 2.96Å; T110-L268 HydrophobicContact CG2-CG 4.35Å; T110-I269 HydrophobicContact CG2-CG1 4.23Å |
| 111 | F | 90.1 | Very high | 84.4 | Confident | 129 Ų | 129 | 71.2 Ų | 71.2 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 176.2 | -177.7 | -98.8 | 0 | 0 | 0 | 111.6 | M107 V108 S114 Y115 | M107-F111 VanDerWaalsContact O-CB 3.3Å; M107-F111 WeakPolarHBondContact O-CB 3.37Å; M107-F111 PolarHBondContact O-N 2.72Å; V108-F111 PolarHBondContact O-N 2.98Å; F111-S114 PolarHBondContact O-N 2.74Å; F111-Y115 HydrophobicContact CE1-CD1 4.5Å; F111-Y115 HydrophobicContact CE1-CG 4.46Å; F111-Y115 HydrophobicContact CE2-CG 4.39Å; F111-Y115 HydrophobicContact CZ-CD1 4.27Å; F111-Y115 HydrophobicContact CZ-CD2 4.45Å; F111-Y115 HydrophobicContact CZ-CG 4Å; F111-Y115 VanDerWaalsContact O-CB 3.26Å; F111-Y115 WeakPolarHBondContact O-CB 3.5Å; F111-Y115 PolarHBondContact O-N 3.41Å |
| 112 | T | 89.5 | Confident | 83.4 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | I | π-helix | trans | -63.7 | -46 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | V108 M109 T110 C116 F117 | V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 PolarHBondContact O-N 3.38Å; V108-T112 PolarHBondContact O-OG1 3.41Å; M109-T112 PolarHBondContact O-N 3.43Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-T112 PolarHBondContact O-N 3.09Å; T112-C116 HydrophobicContact CG2-CB 4.4Å; T112-C116 VanDerWaalsContact O-CB 3.23Å; T112-C116 WeakPolarHBondContact O-CB 3.22Å; T112-C116 PolarHBondContact O-N 3.3Å; T112-F117 HydrophobicContact CG2-CE2 4.33Å |
| 113 | G | 85.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -62.9 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M109 T110 I122 | M109-G113 PolarHBondContact O-N 2.93Å; T110-G113 PolarHBondContact O-N 3.19Å; G113-I122 WeakPolarHBondContact O-CD1 3.1Å |
| 114 | S | 83.1 | Confident | 81.5 | Confident | 35 Ų | 35 | 78 Ų | 78 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -80.2 | -36.9 | -177.4 | -176 | 0 | 0 | 0 | 0 | 114.4 | T110 F111 L268 | T110-S114 WeakPolarHBondContact O-CB 3.22Å; T110-S114 PolarHBondContact O-N 2.96Å; F111-S114 PolarHBondContact O-N 2.74Å; S114-L268 VanDerWaalsContact OG-CD1 3.3Å; S114-L268 WeakPolarHBondContact OG-CD1 3.42Å |
| 115 | Y | 83.4 | Confident | 80.2 | Confident | 174 Ų | 174 | 80 Ų | 80 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | I | π-helix | trans | -95.8 | -47 | -172.7 | -168.4 | -95.9 | 0 | 0 | 0 | 112.1 | F111 | F111-Y115 HydrophobicContact CE1-CD1 4.5Å; F111-Y115 HydrophobicContact CE1-CG 4.46Å; F111-Y115 HydrophobicContact CE2-CG 4.39Å; F111-Y115 HydrophobicContact CZ-CD1 4.27Å; F111-Y115 HydrophobicContact CZ-CD2 4.45Å; F111-Y115 HydrophobicContact CZ-CG 4Å; F111-Y115 VanDerWaalsContact O-CB 3.26Å; F111-Y115 WeakPolarHBondContact O-CB 3.5Å; F111-Y115 PolarHBondContact O-N 3.41Å |
| 116 | C | 84 | Confident | 78.8 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | I | π-helix | trans | -75 | -35.4 | -178.5 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | T112 | T112-C116 HydrophobicContact CG2-CB 4.4Å; T112-C116 VanDerWaalsContact O-CB 3.23Å; T112-C116 WeakPolarHBondContact O-CB 3.22Å; T112-C116 PolarHBondContact O-N 3.3Å |
| 117 | F | 79.3 | Confident | 77.5 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 34% | 0.342 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 45.1 | -175.2 | -60.9 | -78.6 | 0 | 0 | 0 | 112.6 | L65 T112 E119 V120 | L65-F117 HydrophobicContact CD1-CB 4.08Å; L65-F117 HydrophobicContact CD1-CD1 4.08Å; L65-F117 HydrophobicContact CD1-CD2 3.44Å; L65-F117 VanDerWaalsContact CD1-CD2 3.44Å; L65-F117 HydrophobicContact CD1-CE1 4.38Å; L65-F117 HydrophobicContact CD1-CE2 3.78Å; L65-F117 HydrophobicContact CD1-CG 3.59Å; L65-F117 HydrophobicContact CD1-CZ 4.24Å; L65-F117 HydrophobicContact CD2-CB 3.6Å; L65-F117 HydrophobicContact CD2-CG 4.02Å; L65-F117 HydrophobicContact CG-CG 4.48Å; T112-F117 HydrophobicContact CG2-CE2 4.33Å; F117-E119 PolarHBondContact O-N 3.46Å; F117-V120 PolarHBondContact O-N 3.07Å |
| 118 | R | 69 | Low | 76.1 | Confident | 206 Ų | 206 | 89.2 Ų | 89.2 | 78% | 0.777 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.8 | -177.7 | -164.5 | -179.9 | 73.1 | 143.6 | 1.7 | 113.6 | ||
| 119 | E | 64.6 | Low | 74.7 | Confident | 184 Ų | 184 | 94.1 Ų | 94.1 | 86% | 0.86 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -22.2 | -176 | -68 | 177.6 | -178.4 | 0 | 0 | 113.2 | F117 | F117-E119 PolarHBondContact O-N 3.46Š|
| 120 | V | 68.5 | Low | 73.1 | Confident | 22 Ų | 22 | 103.2 Ų | 103.2 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -86.5 | 125 | -178.5 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | E61 A62 L65 F117 I122 | E61-V120 HydrophobicContact CB-CG1 4.5Å; E61-V120 HydrophobicContact CB-CG2 4.34Å; A62-V120 HydrophobicContact CB-CG1 4Å; L65-V120 HydrophobicContact CD2-CB 3.77Å; L65-V120 HydrophobicContact CD2-CG1 3.8Å; L65-V120 HydrophobicContact CD2-CG2 4.22Å; F117-V120 PolarHBondContact O-N 3.07Å; V120-I122 PolarHBondContact O-N 2.78Å |
| 121 | K | 66.4 | Low | 71.6 | Confident | 127 Ų | 127 | 110 Ų | 110 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | trans | -69.1 | 91.7 | 175.1 | -69.2 | 177.6 | -177.7 | 169 | 0 | 109.9 | E57 | E57-K121 VanDerWaalsContact CD-NZ 3.31Å; E57-K121 IonicContact OE1-NZ 3.73Å; E57-K121 PolarHBondContact OE1-NZ 2.84Å; E57-K121 IonicContact OE2-NZ 3.56Å; E57-K121 PolarHBondContact OE2-NZ 2.88Å | ||
| 122 | I | 68.1 | Low | 70.1 | Confident | 36 Ų | 36 | 108.8 Ų | 108.8 | 19% | 0.185 | 50% | 0.497 | C | S | . | . | trans | -79.1 | 136.7 | 175 | -60.3 | 169.3 | 0 | 0 | 0 | 109.7 | L65 L69 G113 V120 R124 P270 | L65-I122 HydrophobicContact CD2-CD1 3.77Å; L65-I122 HydrophobicContact CD2-CG1 3.76Å; L69-I122 HydrophobicContact CD1-CD1 4.42Å; G113-I122 WeakPolarHBondContact O-CD1 3.1Å; V120-I122 PolarHBondContact O-N 2.78Å; I122-R124 PolarHBondContact O-N 3.17Å; I122-P270 HydrophobicContact CG2-CB 3.66Å; I122-P270 HydrophobicContact CG2-CG 4.12Å | ||
| 123 | E | 66.2 | Low | 68.8 | Low | 62 Ų | 62 | 114.2 Ų | 114.2 | 29% | 0.29 | 52% | 0.523 | S | S | . | . | trans | -65.3 | 106.7 | 167.1 | -67.6 | -169.7 | 165.5 | 0 | 0 | 110 | F29 R271 | F29-E123 HydrophobicContact CE2-CG 4.11Å; F29-E123 VanDerWaalsContact CE2-OE1 3.28Å; F29-E123 WeakPolarHBondContact CE2-OE1 3.5Å; F29-E123 HydrophobicContact CZ-CG 4.01Å; F29-E123 WeakPolarHBondContact CZ-OE1 3.19Å; E123-R271 PolarHBondContact O-N 2.92Å | ||
| 124 | R | 68.6 | Low | 67.7 | Low | 152 Ų | 152 | 116.2 Ų | 116.2 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | B | Isolated β-bridge | trans | -87.7 | 160.2 | 175.3 | -70.5 | 177.2 | -168.7 | 178.4 | 3.2 | 110.6 | I122 D126 Q267 | I122-R124 PolarHBondContact O-N 3.17Å; R124-D126 PolarHBondContact O-N 3.19Å; R124-D126 VanDerWaalsContact O-N 3.16Å; R124-Q267 VanDerWaalsContact CB-O 3.26Å; R124-Q267 WeakPolarHBondContact CB-O 3.4Å; R124-Q267 WeakPolarHBondContact CD-O 3.11Å; R124-Q267 VanDerWaalsContact CG-O 3.29Å; R124-Q267 WeakPolarHBondContact CG-O 3.05Å |
| 125 | F | 66.4 | Low | 67 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | trans | -62.4 | 114.6 | 173.9 | -175.4 | -97.8 | 0 | 0 | 0 | 110.7 | ||||
| 126 | D | 63.5 | Low | 66.3 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | trans | -86.5 | 109.8 | 179.1 | -177 | 19.2 | 0 | 0 | 0 | 110.4 | R124 K128 | R124-D126 PolarHBondContact O-N 3.19Å; R124-D126 VanDerWaalsContact O-N 3.16Å; D126-K128 PolarHBondContact O-N 3.37Å; D126-K128 WeakPolarHBondContact OD2-CE 3.25Å | ||
| 127 | Y | 63.4 | Low | 65.6 | Low | 87 Ų | 87 | 113.8 Ų | 113.8 | 34% | 0.341 | 54% | 0.542 | S | S | . | . | trans | -87 | 98.7 | 170 | 178.1 | -103.9 | 0 | 0 | 0 | 109.6 | Q129 L262 | Y127-Q129 HydrophobicContact CD1-CB 4.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.82Å; Y127-Q129 HydrophobicContact CE1-CG 4.14Å; Y127-Q129 PolarHBondContact O-N 3.42Å; Y127-L262 HydrophobicContact CD2-CD1 4.14Å; Y127-L262 HydrophobicContact CD2-CD2 3.64Å; Y127-L262 HydrophobicContact CD2-CG 4.45Å; Y127-L262 HydrophobicContact CE2-CD1 3.7Å; Y127-L262 HydrophobicContact CE2-CD2 4.06Å; Y127-L262 HydrophobicContact CE2-CG 4.46Å; Y127-L262 HydrophobicContact CG-CD2 4.2Å | ||
| 128 | K | 63.4 | Low | 65.3 | Low | 155 Ų | 155 | 113.5 Ų | 113.5 | 67% | 0.674 | 55% | 0.55 | S | S | * | . | trans | -79.5 | 114.1 | 164.9 | -65.5 | -173.5 | -174.9 | -177.8 | 0 | 108.4 | D126 R130 | D126-K128 PolarHBondContact O-N 3.37Å; D126-K128 WeakPolarHBondContact OD2-CE 3.25Å; K128-R130 PolarHBondContact O-N 2.91Å | ||
| 129 | Q | 62.5 | Low | 65.5 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | trans | -65 | 85.8 | 171.7 | -167.1 | 146.7 | -7 | 0 | 0 | 109 | Y127 | Y127-Q129 HydrophobicContact CD1-CB 4.47Å; Y127-Q129 HydrophobicContact CE1-CB 3.82Å; Y127-Q129 HydrophobicContact CE1-CG 4.14Å; Y127-Q129 PolarHBondContact O-N 3.42Å | ||
| 130 | R | 58.6 | Low | 65.9 | Low | 218 Ų | 218 | 105.5 Ų | 105.5 | 82% | 0.823 | 54% | 0.536 | S | S | * | . | trans | -75.2 | 158.4 | -179.3 | -146 | 163.4 | -174.3 | 170.7 | -0.4 | 109.1 | K128 | K128-R130 PolarHBondContact O-N 2.91Š| ||
| 131 | Q | 59.1 | Low | 66.5 | Low | 152 Ų | 152 | 112 Ų | 112 | 71% | 0.71 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -29 | 149 | -177.5 | -72.1 | 167.8 | -29.5 | 0 | 0 | 115.3 | I133 | Q131-I133 PolarHBondContact O-N 3.42Š|
| 132 | P | 59 | Low | 67.2 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 67% | 0.669 | 56% | 0.56 | S | S | * | * | trans | -48.7 | 118.4 | -177.7 | 20.4 | -32.6 | 0 | 0 | 0 | 110.7 | G134 T135 | P132-G134 PolarHBondContact O-N 3.1Å; P132-T135 HydrophobicContact CG-CG2 4.05Å | ||
| 133 | I | 62.3 | Low | 68.1 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 120.4 | 177.5 | -61.1 | 167 | 0 | 0 | 0 | 107.1 | Q131 L204 | Q131-I133 PolarHBondContact O-N 3.42Å; I133-L204 HydrophobicContact CG2-CD2 4.32Å |
| 134 | G | 61.6 | Low | 69.2 | Low | 41 Ų | 41 | 114.4 Ų | 114.4 | 42% | 0.423 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 107.7 | 16.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | P132 L136 | P132-G134 PolarHBondContact O-N 3.1Å; G134-L136 PolarHBondContact O-N 3.11Å |
| 135 | T | 68.4 | Low | 70.3 | Confident | 81 Ų | 81 | 109.6 Ų | 109.6 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | trans | -66.4 | 114.6 | 165 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | P132 A137 | P132-T135 HydrophobicContact CG-CG2 4.05Å; T135-A137 PolarHBondContact O-N 3.34Å | ||
| 136 | L | 70.1 | Confident | 71.4 | Confident | 121 Ų | 121 | 106.8 Ų | 106.8 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | trans | -55.1 | 130.6 | 173.6 | -173.5 | 70.8 | 0 | 0 | 0 | 109.1 | G134 S138 | G134-L136 PolarHBondContact O-N 3.11Å; L136-S138 PolarHBondContact O-N 3.4Å | ||
| 137 | A | 68.8 | Low | 72.5 | Confident | 39 Ų | 39 | 105.3 Ų | 105.3 | 32% | 0.322 | 58% | 0.578 | S | S | . | * | trans | -56.4 | 125.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T135 I139 L201 | T135-A137 PolarHBondContact O-N 3.34Å; A137-I139 HydrophobicContact CB-CG1 4.17Å; A137-I139 PolarHBondContact O-N 2.9Å; A137-L201 PolarHBondContact N-O 2.93Å | ||
| 138 | S | 72.5 | Confident | 73.9 | Confident | 73 Ų | 73 | 107.4 Ų | 107.4 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | trans | -72.5 | 64.3 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | L136 S140 Q141 L142 | L136-S138 PolarHBondContact O-N 3.4Å; S138-S140 PolarHBondContact O-N 3.26Å; S138-S140 VanDerWaalsContact O-N 3.17Å; S138-Q141 PolarHBondContact O-N 2.97Å; S138-L142 VanDerWaalsContact O-CD1 3.29Å; S138-L142 WeakPolarHBondContact O-CD1 3.29Å | ||
| 139 | I | 72.6 | Confident | 75.2 | Confident | 104 Ų | 104 | 102.9 Ų | 102.9 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -59.6 | -28 | -177.6 | -60.2 | 161.7 | 0 | 0 | 0 | 111.2 | A137 Q141 L142 L201 | A137-I139 HydrophobicContact CB-CG1 4.17Å; A137-I139 PolarHBondContact O-N 2.9Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.17Å; I139-L142 PolarHBondContact O-N 3.08Å; I139-L201 HydrophobicContact CD1-CD2 4.48Å |
| 140 | S | 74.1 | Confident | 76.4 | Confident | 117 Ų | 117 | 98 Ų | 98 | 82% | 0.818 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -68.8 | -16.4 | -176.6 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | S138 | S138-S140 PolarHBondContact O-N 3.26Å; S138-S140 VanDerWaalsContact O-N 3.17Å |
| 141 | Q | 81.2 | Confident | 77.9 | Confident | 158 Ų | 158 | 93.6 Ų | 93.6 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -93.6 | -3.8 | -178 | -65.1 | -178.4 | -6.7 | 0 | 0 | 113.4 | S138 I139 | S138-Q141 PolarHBondContact O-N 2.97Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.17Å |
| 142 | L | 79.7 | Confident | 79.4 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -83 | 135.6 | -173.9 | -78.8 | 84.1 | 0 | 0 | 0 | 111.9 | S138 I139 A146 I147 | S138-L142 VanDerWaalsContact O-CD1 3.29Å; S138-L142 WeakPolarHBondContact O-CD1 3.29Å; I139-L142 PolarHBondContact O-N 3.08Å; L142-A146 HydrophobicContact CD2-CB 4.48Å; L142-I147 HydrophobicContact CB-CG1 4.45Å |
| 143 | P | 89.1 | Confident | 80.7 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | trans | -64.6 | 144.8 | 173.1 | 28 | -33.2 | 0 | 0 | 0 | 109.9 | G145 A146 I147 | P143-G145 PolarHBondContact O-N 3.08Å; P143-G145 VanDerWaalsContact O-N 3.1Å; P143-A146 HydrophobicContact CG-CB 3.82Å; P143-A146 WeakPolarHBondContact O-CB 3.24Å; P143-A146 PolarHBondContact O-N 2.85Å; P143-I147 PolarHBondContact O-N 3.35Å | ||
| 144 | V | 88 | Confident | 82 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -54.4 | -35.8 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | A146 I147 F148 | V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.5Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 2.92Å; V144-I147 VanDerWaalsContact O-N 3.16Å; V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.29Å; V144-F148 PolarHBondContact O-N 3.36Å |
| 145 | G | 91.1 | Very high | 83.3 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 54% | 0.536 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | P143 I147 F148 A149 | P143-G145 PolarHBondContact O-N 3.08Å; P143-G145 VanDerWaalsContact O-N 3.1Å; G145-I147 VanDerWaalsContact C-N 3.34Å; G145-F148 PolarHBondContact O-N 3.39Å; G145-A149 PolarHBondContact O-N 3.36Å |
| 146 | A | 89.7 | Confident | 84.1 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L142 P143 V144 A149 S150 | L142-A146 HydrophobicContact CD2-CB 4.48Å; P143-A146 HydrophobicContact CG-CB 3.82Å; P143-A146 WeakPolarHBondContact O-CB 3.24Å; P143-A146 PolarHBondContact O-N 2.85Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 3.5Å; A146-A149 PolarHBondContact O-N 3.3Å; A146-S150 VanDerWaalsContact O-CB 3.28Å; A146-S150 WeakPolarHBondContact O-CB 3.3Å; A146-S150 PolarHBondContact O-N 3.3Å; A146-S150 PolarHBondContact O-OG 3.07Å |
| 147 | I | 88.2 | Confident | 85 | Confident | 80 Ų | 80 | 82 Ų | 82 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 175.6 | -58.7 | 176.1 | 0 | 0 | 0 | 109.8 | L142 P143 V144 G145 A149 S150 M151 | L142-I147 HydrophobicContact CB-CG1 4.45Å; P143-I147 PolarHBondContact O-N 3.35Å; V144-I147 WeakPolarHBondContact O-CB 3.41Å; V144-I147 PolarHBondContact O-N 2.92Å; V144-I147 VanDerWaalsContact O-N 3.16Å; G145-I147 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 3.49Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 PolarHBondContact O-OG 3.12Å; I147-M151 PolarHBondContact O-N 3.05Å |
| 148 | F | 91.7 | Very high | 85.9 | Confident | 131 Ų | 131 | 83 Ų | 83 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -40.8 | 177.7 | -75.5 | -69.1 | 0 | 0 | 0 | 113 | V144 G145 M151 G152 | V144-F148 HydrophobicContact CG1-CD2 3.87Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.29Å; V144-F148 PolarHBondContact O-N 3.36Å; G145-F148 PolarHBondContact O-N 3.39Å; F148-M151 HydrophobicContact CD1-CE 4.02Å; F148-M151 WeakPolarHBondContact O-CB 3.27Å; F148-M151 PolarHBondContact O-N 3.14Å; F148-G152 PolarHBondContact O-N 3.01Å |
| 149 | A | 90.5 | Very high | 86.7 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G145 A146 I147 M151 G152 L153 | G145-A149 PolarHBondContact O-N 3.36Å; A146-A149 PolarHBondContact O-N 3.3Å; I147-A149 PolarHBondContact O-N 3.49Å; A149-M151 VanDerWaalsContact C-N 3.3Å; A149-M151 PolarHBondContact O-N 2.78Å; A149-G152 PolarHBondContact O-N 2.89Å; A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.12Å |
| 150 | S | 88.9 | Confident | 87.3 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 46% | 0.462 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 177.5 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | A146 I147 L153 G154 | A146-S150 VanDerWaalsContact O-CB 3.28Å; A146-S150 WeakPolarHBondContact O-CB 3.3Å; A146-S150 PolarHBondContact O-N 3.3Å; A146-S150 PolarHBondContact O-OG 3.07Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 PolarHBondContact O-OG 3.12Å; S150-L153 PolarHBondContact O-N 3.03Å; S150-G154 PolarHBondContact O-N 2.95Å |
| 151 | M | 90.3 | Very high | 88.1 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 62% | 0.616 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 174.7 | -174 | 178.7 | 70.5 | 0 | 0 | 111.5 | I147 F148 A149 G154 F155 | I147-M151 PolarHBondContact O-N 3.05Å; F148-M151 HydrophobicContact CD1-CE 4.02Å; F148-M151 WeakPolarHBondContact O-CB 3.27Å; F148-M151 PolarHBondContact O-N 3.14Å; A149-M151 VanDerWaalsContact C-N 3.3Å; A149-M151 PolarHBondContact O-N 2.78Å; M151-G154 PolarHBondContact O-N 2.87Å; M151-F155 PolarHBondContact O-N 3.4Å |
| 152 | G | 88.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F148 A149 F155 C156 | F148-G152 PolarHBondContact O-N 3.01Å; A149-G152 PolarHBondContact O-N 2.89Å; G152-F155 PolarHBondContact O-N 3.33Å; G152-C156 PolarHBondContact O-N 2.87Å |
| 153 | L | 87.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 68 Ų | 68 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 176.5 | -65.5 | 176.7 | 0 | 0 | 0 | 111.9 | A149 S150 F155 C156 L157 M346 | A149-L153 PolarHBondContact O-N 3.36Å; A149-L153 VanDerWaalsContact O-N 3.12Å; S150-L153 PolarHBondContact O-N 3.03Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.48Å; L153-C156 PolarHBondContact O-N 3.44Å; L153-L157 WeakPolarHBondContact O-CD1 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-M346 HydrophobicContact CD2-CE 4.1Å; L153-M346 HydrophobicContact CD2-SD 3.39Å; L153-M346 WeakPolarHBondContact CD2-SD 3.33Å |
| 154 | G | 89.2 | Confident | 88.8 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | S150 M151 L157 S158 | S150-G154 PolarHBondContact O-N 2.95Å; M151-G154 PolarHBondContact O-N 2.87Å; G154-L157 PolarHBondContact O-N 3.5Å; G154-S158 WeakPolarHBondContact O-CB 3.34Å; G154-S158 PolarHBondContact O-N 3.06Å |
| 155 | F | 88.7 | Confident | 89 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 61% | 0.614 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 172.7 | 179.4 | -97.8 | 0 | 0 | 0 | 112.2 | M151 G152 L153 L157 S158 V159 | M151-F155 PolarHBondContact O-N 3.4Å; G152-F155 PolarHBondContact O-N 3.33Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 3.48Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.43Å; F155-S158 PolarHBondContact O-N 3.49Å; F155-S158 PolarHBondContact O-OG 3.43Å; F155-V159 HydrophobicContact CE1-CG2 4.31Å; F155-V159 HydrophobicContact CZ-CG2 4.34Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.68Å |
| 156 | C | 86.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 112 | G152 L153 V159 L160 | G152-C156 PolarHBondContact O-N 2.87Å; L153-C156 PolarHBondContact O-N 3.44Å; C156-V159 PolarHBondContact O-N 3.07Å; C156-L160 PolarHBondContact O-N 3.47Å |
| 157 | L | 87.5 | Confident | 88.8 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 177.1 | -74.5 | 158.9 | 0 | 0 | 0 | 112.8 | L153 G154 F155 V159 L160 F161 W206 | L153-L157 WeakPolarHBondContact O-CD1 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.41Å; G154-L157 PolarHBondContact O-N 3.5Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.43Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.98Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.3Å; L157-F161 PolarHBondContact O-N 2.94Å; L157-W206 HydrophobicContact CB-CZ3 4.41Å; L157-W206 HydrophobicContact CD1-CH2 3.82Å; L157-W206 HydrophobicContact CD1-CZ3 3.52Å; L157-W206 HydrophobicContact CD2-CZ3 4.34Å; L157-W206 HydrophobicContact CG-CZ3 4.29Å |
| 158 | S | 89.2 | Confident | 88.8 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.7 | 76.6 | 0 | 0 | 0 | 0 | 112 | G154 F155 L160 F161 F162 | G154-S158 WeakPolarHBondContact O-CB 3.34Å; G154-S158 PolarHBondContact O-N 3.06Å; F155-S158 PolarHBondContact O-N 3.49Å; F155-S158 PolarHBondContact O-OG 3.43Å; S158-L160 VanDerWaalsContact C-N 3.33Å; S158-F161 PolarHBondContact O-N 2.72Å; S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.93Å |
| 159 | V | 87.7 | Confident | 88.8 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | F155 C156 L157 F162 L163 P349 | F155-V159 HydrophobicContact CE1-CG2 4.31Å; F155-V159 HydrophobicContact CZ-CG2 4.34Å; F155-V159 WeakPolarHBondContact O-CG2 3.37Å; F155-V159 PolarHBondContact O-N 2.68Å; C156-V159 PolarHBondContact O-N 3.07Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.98Å; V159-F162 PolarHBondContact O-N 3.33Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.49Å; V159-P349 HydrophobicContact CG1-CB 4.27Å |
| 160 | L | 87 | Confident | 88.6 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 174.9 | 179.4 | 61.4 | 0 | 0 | 0 | 111.6 | C156 L157 S158 F162 L163 D164 F348 P349 | C156-L160 PolarHBondContact O-N 3.47Å; L157-L160 WeakPolarHBondContact O-CB 3.38Å; L157-L160 PolarHBondContact O-N 3.3Å; S158-L160 VanDerWaalsContact C-N 3.33Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.24Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 3.09Å; L160-L163 VanDerWaalsContact O-N 3.11Å; L160-D164 PolarHBondContact O-N 3.4Å; L160-F348 HydrophobicContact CD1-CD1 3.92Å; L160-F348 HydrophobicContact CD1-CE1 4.08Å; L160-P349 HydrophobicContact CB-CB 4.1Å; L160-P349 HydrophobicContact CB-CG 3.63Å; L160-P349 HydrophobicContact CD1-CB 4.31Å; L160-P349 HydrophobicContact CD1-CG 3.84Å; L160-P349 HydrophobicContact CD2-CG 4.49Å; L160-P349 HydrophobicContact CG-CG 4.16Å |
| 161 | F | 89.4 | Confident | 88.5 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 179.1 | -69.3 | -15.3 | 0 | 0 | 0 | 112.8 | L157 S158 L163 Q165 W206 H208 | L157-F161 PolarHBondContact O-N 2.94Å; S158-F161 PolarHBondContact O-N 2.72Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-Q165 VanDerWaalsContact O-CB 3.26Å; F161-Q165 WeakPolarHBondContact O-CB 3.39Å; F161-Q165 PolarHBondContact O-N 3.15Å; F161-W206 HydrophobicContact CE2-CB 4.08Å; F161-W206 HydrophobicContact CE2-CD2 4.34Å; F161-W206 AromaticContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CG 4.45Å; F161-W206 HydrophobicContact CZ-CB 3.87Å; F161-W206 HydrophobicContact CZ-CD2 4.4Å; F161-W206 AromaticContact CZ-CE3 3.78Å; F161-W206 HydrophobicContact CZ-CE3 3.78Å; F161-H208 HydrophobicContact CD1-CB 3.81Å; F161-H208 HydrophobicContact CE1-CB 3.99Å; F161-H208 AromaticContact CE1-CD2 3.82Å; F161-H208 HydrophobicContact CG-CB 4.38Å |
| 162 | F | 89.5 | Confident | 88.4 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 45% | 0.447 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 172.6 | 175.3 | -99 | 0 | 0 | 0 | 111.6 | S158 V159 L160 N166 L189 | S158-F162 WeakPolarHBondContact O-CB 3.44Å; S158-F162 PolarHBondContact O-N 2.93Å; V159-F162 PolarHBondContact O-N 3.33Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.24Å; F162-N166 WeakPolarHBondContact CD2-ND2 3.48Å; F162-N166 VanDerWaalsContact CE1-ND2 3.26Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.28Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.47Å; F162-N166 WeakPolarHBondContact O-CB 3.37Å; F162-N166 PolarHBondContact O-N 2.92Å; F162-N166 VanDerWaalsContact O-N 3.13Å; F162-N166 PolarHBondContact O-ND2 3.32Å; F162-L189 HydrophobicContact CD2-CD1 4.1Å; F162-L189 HydrophobicContact CD2-CD2 3.65Å; F162-L189 HydrophobicContact CE2-CD2 3.92Å |
| 163 | L | 88.1 | Confident | 88.4 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -52.1 | 178.4 | -178.7 | 75.8 | 0 | 0 | 0 | 111.4 | V159 L160 F161 Q165 N166 I167 C352 F356 | V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.49Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 3.09Å; L160-L163 VanDerWaalsContact O-N 3.11Å; F161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 2.69Å; L163-N166 PolarHBondContact O-N 3.28Å; L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.66Å; L163-I167 HydrophobicContact CG-CG1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.16Å; L163-C352 HydrophobicContact CD1-CB 4.44Å; L163-C352 HydrophobicContact CD2-CB 3.23Å; L163-C352 HydrophobicContact CG-CB 4.44Å; L163-F356 HydrophobicContact CD1-CE2 3.85Å; L163-F356 HydrophobicContact CD1-CZ 4.38Å |
| 164 | D | 87.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | -177.9 | -79 | -7.5 | 0 | 0 | 0 | 111.9 | F6 L160 T168 H208 | F6-D164 WeakPolarHBondContact CZ-OD1 3.36Å; L160-D164 PolarHBondContact O-N 3.4Å; D164-T168 VanDerWaalsContact O-CB 3.22Å; D164-T168 WeakPolarHBondContact O-CB 3.48Å; D164-T168 PolarHBondContact O-N 2.97Å; D164-T168 PolarHBondContact O-OG1 3.14Å; D164-H208 IonicContact OD2-CE1 3.83Å; D164-H208 IonicContact OD2-ND1 2.95Å; D164-H208 PolarHBondContact OD2-ND1 3.05Å |
| 165 | Q | 91.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 49 Ų | 49 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.2 | -174.3 | 62.4 | 33.9 | 0 | 0 | 111.5 | F161 L163 S169 A209 | F161-Q165 VanDerWaalsContact O-CB 3.26Å; F161-Q165 WeakPolarHBondContact O-CB 3.39Å; F161-Q165 PolarHBondContact O-N 3.15Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 2.69Å; Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.33Å; Q165-A209 VanDerWaalsContact OE1-CB 3.32Å |
| 166 | N | 89.4 | Confident | 87.5 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | -179.5 | -76.8 | -49 | 0 | 0 | 0 | 112.4 | F162 L163 S169 A170 | F162-N166 WeakPolarHBondContact CD2-ND2 3.48Å; F162-N166 VanDerWaalsContact CE1-ND2 3.26Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.28Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.47Å; F162-N166 WeakPolarHBondContact O-CB 3.37Å; F162-N166 PolarHBondContact O-N 2.92Å; F162-N166 VanDerWaalsContact O-N 3.13Å; F162-N166 PolarHBondContact O-ND2 3.32Å; L163-N166 PolarHBondContact O-N 3.28Å; N166-S169 PolarHBondContact O-N 2.93Å; N166-A170 VanDerWaalsContact O-CB 3.29Å; N166-A170 WeakPolarHBondContact O-CB 3.42Å; N166-A170 PolarHBondContact O-N 2.9Å |
| 167 | I | 88 | Confident | 87.4 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 176.3 | -67.7 | 176.4 | 0 | 0 | 0 | 109.8 | F6 L163 S169 A170 I171 L211 | F6-I167 HydrophobicContact CB-CD1 4.3Å; F6-I167 HydrophobicContact CB-CG2 4.17Å; F6-I167 HydrophobicContact CD1-CD1 4.39Å; F6-I167 HydrophobicContact CD1-CG2 3.89Å; F6-I167 HydrophobicContact CD2-CD1 3.73Å; F6-I167 HydrophobicContact CE2-CD1 4.07Å; F6-I167 HydrophobicContact CG-CD1 3.88Å; F6-I167 HydrophobicContact CG-CG2 4.08Å; L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.19Å; L163-I167 HydrophobicContact CD2-CD1 4.19Å; L163-I167 HydrophobicContact CG-CD1 3.66Å; L163-I167 HydrophobicContact CG-CG1 4.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.16Å; I167-S169 VanDerWaalsContact C-N 3.32Å; I167-S169 PolarHBondContact O-N 2.64Å; I167-A170 PolarHBondContact O-N 3.41Å; I167-I171 HydrophobicContact CG2-CD1 3.84Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.85Å; I167-L211 HydrophobicContact CG2-CD1 4.17Å |
| 168 | T | 89 | Confident | 87.2 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | D164 A170 I171 I172 A209 L211 | D164-T168 VanDerWaalsContact O-CB 3.22Å; D164-T168 WeakPolarHBondContact O-CB 3.48Å; D164-T168 PolarHBondContact O-N 2.97Å; D164-T168 PolarHBondContact O-OG1 3.14Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 2.98Å; T168-I171 PolarHBondContact O-N 3.38Å; T168-I172 HydrophobicContact CG2-CD1 3.79Å; T168-I172 WeakPolarHBondContact O-CD1 3.41Å; T168-I172 VanDerWaalsContact O-CG1 3.29Å; T168-I172 WeakPolarHBondContact O-CG1 3.28Å; T168-I172 PolarHBondContact O-N 3.04Å; T168-A209 HydrophobicContact CG2-CB 3.92Å; T168-L211 HydrophobicContact CG2-CD2 4.2Å; T168-L211 HydrophobicContact CG2-CG 4.45Å |
| 169 | S | 89.7 | Confident | 87.1 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | Q165 N166 I167 I172 N173 T185 | Q165-S169 WeakPolarHBondContact O-CB 3.41Å; Q165-S169 PolarHBondContact O-N 3.33Å; N166-S169 PolarHBondContact O-N 2.93Å; I167-S169 VanDerWaalsContact C-N 3.32Å; I167-S169 PolarHBondContact O-N 2.64Å; S169-I172 PolarHBondContact O-N 3.44Å; S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.83Å; S169-N173 PolarHBondContact O-ND2 3.43Å; S169-N173 PolarHBondContact OG-ND2 3.49Å; S169-T185 WeakPolarHBondContact OG-CG2 3.19Å |
| 170 | A | 87.9 | Confident | 86.8 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E3 N166 I167 T168 I172 N173 N174 | E3-A170 VanDerWaalsContact CD-CB 3.47Å; E3-A170 HydrophobicContact CG-CB 4.04Å; E3-A170 VanDerWaalsContact OE1-CB 3.24Å; E3-A170 WeakPolarHBondContact OE1-CB 3.28Å; N166-A170 VanDerWaalsContact O-CB 3.29Å; N166-A170 WeakPolarHBondContact O-CB 3.42Å; N166-A170 PolarHBondContact O-N 2.9Å; I167-A170 PolarHBondContact O-N 3.41Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact O-N 2.98Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.44Å; A170-N173 CarbonylContact O-C 3.43Å; A170-N173 PolarHBondContact O-N 3.46Å; A170-N174 PolarHBondContact O-N 2.95Å |
| 171 | I | 86.5 | Confident | 86.7 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 175.2 | -69.4 | 166.4 | 0 | 0 | 0 | 111.2 | E3 I167 T168 N174 N177 L211 P215 | E3-I171 HydrophobicContact CB-CD1 4.32Å; E3-I171 HydrophobicContact CB-CG1 3.74Å; E3-I171 HydrophobicContact CG-CG1 3.91Å; I167-I171 HydrophobicContact CG2-CD1 3.84Å; I167-I171 WeakPolarHBondContact O-CG1 3.41Å; I167-I171 PolarHBondContact O-N 2.85Å; T168-I171 PolarHBondContact O-N 3.38Å; I171-N174 WeakPolarHBondContact O-CB 3.31Å; I171-N177 PolarHBondContact O-ND2 3.25Å; I171-N177 VanDerWaalsContact O-ND2 3.08Å; I171-L211 HydrophobicContact CD1-CD1 3.9Å; I171-L211 HydrophobicContact CD1-CD2 3.87Å; I171-P215 HydrophobicContact CG2-CB 4.35Å |
| 172 | I | 88.3 | Confident | 86.4 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.2 | -44 | -179.7 | -69.9 | 167.9 | 0 | 0 | 0 | 110.8 | T168 S169 A170 N174 N177 L179 L218 | T168-I172 HydrophobicContact CG2-CD1 3.79Å; T168-I172 WeakPolarHBondContact O-CD1 3.41Å; T168-I172 VanDerWaalsContact O-CG1 3.29Å; T168-I172 WeakPolarHBondContact O-CG1 3.28Å; T168-I172 PolarHBondContact O-N 3.04Å; S169-I172 PolarHBondContact O-N 3.44Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.44Å; I172-N174 PolarHBondContact O-N 3Å; I172-N177 PolarHBondContact O-ND2 2.8Å; I172-L179 HydrophobicContact CG2-CD1 3.77Å; I172-L179 VanDerWaalsContact O-CD1 3.27Å; I172-L179 WeakPolarHBondContact O-CD1 3.47Å; I172-L218 HydrophobicContact CB-CD1 4.47Å; I172-L218 HydrophobicContact CG2-CD1 3.77Å |
| 173 | N | 88.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 12.6 | -178.1 | -63.1 | -36.6 | 0 | 0 | 0 | 113.6 | S169 A170 Q175 S183 | S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.83Å; S169-N173 PolarHBondContact O-ND2 3.43Å; S169-N173 PolarHBondContact OG-ND2 3.49Å; A170-N173 CarbonylContact O-C 3.43Å; A170-N173 PolarHBondContact O-N 3.46Å; N173-Q175 PolarHBondContact O-N 2.97Å; N173-S183 WeakPolarHBondContact ND2-CB 3.39Å |
| 174 | N | 84.6 | Confident | 86.2 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | trans | -58.6 | 137.1 | 172.3 | -172.1 | -5.8 | 0 | 0 | 0 | 109.9 | A170 I171 I172 Q176 N177 | A170-N174 PolarHBondContact O-N 2.95Å; I171-N174 WeakPolarHBondContact O-CB 3.31Å; I172-N174 PolarHBondContact O-N 3Å; N174-Q176 PolarHBondContact ND2-OE1 3.27Å; N174-Q176 PolarHBondContact O-N 2.96Å; N174-Q176 VanDerWaalsContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 2.88Å; N174-N177 WeakPolarHBondContact O-CB 3.41Å; N174-N177 PolarHBondContact O-N 2.94Å | ||
| 175 | Q | 81 | Confident | 86.2 | Confident | 158 Ų | 158 | 63.8 Ų | 63.8 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.1 | -179 | -66.9 | -179.6 | -31.7 | 0 | 0 | 112.5 | N173 N177 K178 | N173-Q175 PolarHBondContact O-N 2.97Å; Q175-N177 PolarHBondContact O-N 3.02Å; Q175-K178 PolarHBondContact O-N 3.17Å; Q175-K178 VanDerWaalsContact O-N 3.17Å |
| 176 | Q | 81.1 | Confident | 86.2 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -60.3 | -29.9 | 174.8 | -65.1 | -178 | -14.9 | 0 | 0 | 113.4 | N174 K178 | N174-Q176 PolarHBondContact ND2-OE1 3.27Å; N174-Q176 PolarHBondContact O-N 2.96Å; N174-Q176 VanDerWaalsContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 2.88Å; Q176-K178 VanDerWaalsContact C-N 3.29Å; Q176-K178 PolarHBondContact O-N 3.35Å |
| 177 | N | 83.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -80.4 | -8.9 | -179.7 | -64.3 | -26.5 | 0 | 0 | 0 | 113.2 | I171 I172 N174 Q175 L179 L218 I237 V240 | I171-N177 PolarHBondContact O-ND2 3.25Å; I171-N177 VanDerWaalsContact O-ND2 3.08Å; I172-N177 PolarHBondContact O-ND2 2.8Å; N174-N177 WeakPolarHBondContact O-CB 3.41Å; N174-N177 PolarHBondContact O-N 2.94Å; Q175-N177 PolarHBondContact O-N 3.02Å; N177-L179 HydrophobicContact CB-CG 4.29Å; N177-L179 PolarHBondContact O-N 2.9Å; N177-L179 VanDerWaalsContact O-N 3.11Å; N177-L218 HydrophobicContact CB-CD1 4.21Å; N177-L218 HydrophobicContact CB-CD2 4.21Å; N177-I237 WeakPolarHBondContact OD1-CD1 3.33Å; N177-V240 WeakPolarHBondContact O-CG2 3.46Å |
| 178 | K | 83.4 | Confident | 86.6 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 39% | 0.391 | 39% | 0.391 | S | S | . | . | trans | 47.8 | 40.1 | 176.1 | -60.1 | -178.6 | -172.7 | 152.1 | 0 | 114.5 | Q175 Q176 I237 | Q175-K178 PolarHBondContact O-N 3.17Å; Q175-K178 VanDerWaalsContact O-N 3.17Å; Q176-K178 VanDerWaalsContact C-N 3.29Å; Q176-K178 PolarHBondContact O-N 3.35Å; K178-I237 WeakPolarHBondContact CD-O 3.45Å; K178-I237 WeakPolarHBondContact CE-O 3.28Å; K178-I237 PolarHBondContact NZ-O 2.97Å | ||
| 179 | L | 86.5 | Confident | 86.7 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | trans | -62.7 | 139.8 | 173.2 | -62.2 | 180 | 0 | 0 | 0 | 110.1 | I172 N177 L218 V240 E242 | I172-L179 HydrophobicContact CG2-CD1 3.77Å; I172-L179 VanDerWaalsContact O-CD1 3.27Å; I172-L179 WeakPolarHBondContact O-CD1 3.47Å; N177-L179 HydrophobicContact CB-CG 4.29Å; N177-L179 PolarHBondContact O-N 2.9Å; N177-L179 VanDerWaalsContact O-N 3.11Å; L179-L218 HydrophobicContact CD1-CD1 4.23Å; L179-L218 HydrophobicContact CD2-CD1 4.05Å; L179-L218 HydrophobicContact CG-CD1 4.48Å; L179-V240 HydrophobicContact CD2-CB 3.96Å; L179-V240 HydrophobicContact CD2-CG1 3.83Å; L179-V240 HydrophobicContact CD2-CG2 4.22Å; L179-E242 WeakPolarHBondContact CA-OE1 3.35Å; L179-E242 HydrophobicContact CD2-CG 4.23Å | ||
| 180 | R | 83.3 | Confident | 86.9 | Confident | 206 Ų | 206 | 80.9 Ų | 80.9 | 78% | 0.777 | 43% | 0.425 | S | S | * | . | trans | -99.3 | -33.4 | -176.2 | -71.3 | -166.1 | 177.8 | -163.8 | 1.2 | 112.5 | E242 | R180-E242 PolarHBondContact N-OE1 3.33Š| ||
| 181 | K | 84.4 | Confident | 87.2 | Confident | 138 Ų | 138 | 84 Ų | 84 | 60% | 0.6 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -81.6 | 131.4 | 175.8 | -69.6 | 170.3 | -152.4 | 159.3 | 0 | 108.3 | E242 | K181-E242 WeakPolarHBondContact CB-OE2 3.28Å; K181-E242 WeakPolarHBondContact CD-OE2 3.44Å; K181-E242 WeakPolarHBondContact CE-OE2 3.32Å; K181-E242 WeakPolarHBondContact CG-OE2 3.34Å; K181-E242 PolarHBondContact N-OE1 3.48Å; K181-E242 PolarHBondContact N-OE2 2.93Å; K181-E242 PolarHBondContact NZ-O 2.94Å; K181-E242 IonicContact NZ-OE2 3.54Å |
| 182 | G | 82.1 | Confident | 87.5 | Confident | 76 Ų | 76 | 83.8 Ų | 83.8 | 78% | 0.784 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 152.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 183 | S | 84.2 | Confident | 87.8 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 51% | 0.51 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 137.8 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | N173 | N173-S183 WeakPolarHBondContact ND2-CB 3.39Š|
| 184 | S | 88.8 | Confident | 88.1 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | trans | -120 | 67.7 | 172.9 | -161.6 | 0 | 0 | 0 | 0 | 111 | H186 L187 D188 | S184-H186 VanDerWaalsContact C-N 3.28Å; S184-H186 PolarHBondContact O-N 3.4Å; S184-L187 PolarHBondContact O-N 2.9Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-L187 VanDerWaalsContact OG-CB 3.32Å; S184-L187 WeakPolarHBondContact OG-CB 3.32Å; S184-D188 PolarHBondContact O-N 3.39Å; S184-D188 VanDerWaalsContact O-N 3.15Å | ||
| 185 | T | 87.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 23% | 0.227 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | -173.6 | 59 | 0 | 0 | 0 | 0 | 113.3 | S169 D188 L189 | S169-T185 WeakPolarHBondContact OG-CG2 3.19Å; T185-D188 PolarHBondContact O-N 3.22Å; T185-L189 PolarHBondContact O-N 3.47Å; T185-L189 VanDerWaalsContact O-N 3.1Å |
| 186 | H | 92.7 | Very high | 89.1 | Confident | 159 Ų | 159 | 80.7 Ų | 80.7 | 74% | 0.736 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 177.9 | -64.2 | -66.8 | 0 | 0 | 0 | 113 | S184 L190 | S184-H186 VanDerWaalsContact C-N 3.28Å; S184-H186 PolarHBondContact O-N 3.4Å; H186-L190 PolarHBondContact O-N 3.43Å; H186-L190 VanDerWaalsContact O-N 3.09Å |
| 187 | L | 92.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 177.1 | -174.8 | 149.4 | 0 | 0 | 0 | 110.2 | S184 L189 L190 M191 | S184-L187 PolarHBondContact O-N 2.9Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-L187 VanDerWaalsContact OG-CB 3.32Å; S184-L187 WeakPolarHBondContact OG-CB 3.32Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-M191 HydrophobicContact CD2-CE 4.27Å; L187-M191 HydrophobicContact CD2-CG 3.9Å; L187-M191 HydrophobicContact CG-CE 4.47Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.46Å; L187-M191 PolarHBondContact O-N 2.75Å |
| 188 | D | 92.2 | Very high | 90 | Very high | 63 Ų | 63 | 84.4 Ų | 84.4 | 34% | 0.337 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.3 | -60.7 | -20.4 | 0 | 0 | 0 | 111.1 | S184 T185 L190 M191 V192 | S184-D188 PolarHBondContact O-N 3.39Å; S184-D188 VanDerWaalsContact O-N 3.15Å; T185-D188 PolarHBondContact O-N 3.22Å; D188-L190 PolarHBondContact O-N 2.99Å; D188-M191 PolarHBondContact O-N 3.41Å; D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 2.9Å |
| 189 | L | 92.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 81.1 Ų | 81.1 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.1 | -175.1 | 67.5 | 0 | 0 | 0 | 112.4 | F162 T185 L187 M191 V192 A193 | F162-L189 HydrophobicContact CD2-CD1 4.1Å; F162-L189 HydrophobicContact CD2-CD2 3.65Å; F162-L189 HydrophobicContact CE2-CD2 3.92Å; T185-L189 PolarHBondContact O-N 3.47Å; T185-L189 VanDerWaalsContact O-N 3.1Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3Å; L189-M191 VanDerWaalsContact C-N 3.35Å; L189-V192 PolarHBondContact O-N 3.36Å; L189-A193 PolarHBondContact O-N 3.15Å |
| 190 | L | 94.2 | Very high | 90.4 | Very high | 101 Ų | 101 | 81.7 Ų | 81.7 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.1 | 179.1 | 64.9 | 0 | 0 | 0 | 111.4 | H186 L187 D188 A193 I194 | H186-L190 PolarHBondContact O-N 3.43Å; H186-L190 VanDerWaalsContact O-N 3.09Å; L187-L190 PolarHBondContact O-N 2.88Å; D188-L190 PolarHBondContact O-N 2.99Å; L190-A193 WeakPolarHBondContact O-CB 3.27Å; L190-A193 PolarHBondContact O-N 2.94Å; L190-I194 HydrophobicContact CD1-CD1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4.05Å; L190-I194 WeakPolarHBondContact O-CG1 3.2Å; L190-I194 PolarHBondContact O-N 2.87Å |
| 191 | M | 93.6 | Very high | 90.6 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 50% | 0.498 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 178.9 | -69.5 | -63.5 | 162.5 | 0 | 0 | 112 | L187 D188 L189 A193 I194 L195 | L187-M191 HydrophobicContact CD2-CE 4.27Å; L187-M191 HydrophobicContact CD2-CG 3.9Å; L187-M191 HydrophobicContact CG-CE 4.47Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.46Å; L187-M191 PolarHBondContact O-N 2.75Å; D188-M191 PolarHBondContact O-N 3.41Å; L189-M191 VanDerWaalsContact C-N 3.35Å; M191-A193 VanDerWaalsContact C-N 3.31Å; M191-A193 PolarHBondContact O-N 2.87Å; M191-I194 PolarHBondContact O-N 2.88Å; M191-L195 WeakPolarHBondContact O-CB 3.28Å; M191-L195 PolarHBondContact O-N 3.38Å |
| 192 | V | 93.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 15% | 0.145 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111 | D188 L189 L195 N196 | D188-V192 WeakPolarHBondContact O-CG2 3.39Å; D188-V192 PolarHBondContact O-N 2.9Å; L189-V192 PolarHBondContact O-N 3.36Å; V192-L195 PolarHBondContact O-N 3.08Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.22Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 3.45Å |
| 193 | A | 93.2 | Very high | 90.6 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L189 L190 M191 L195 N196 V197 | L189-A193 PolarHBondContact O-N 3.15Å; L190-A193 WeakPolarHBondContact O-CB 3.27Å; L190-A193 PolarHBondContact O-N 2.94Å; M191-A193 VanDerWaalsContact C-N 3.31Å; M191-A193 PolarHBondContact O-N 2.87Å; A193-L195 VanDerWaalsContact C-N 3.35Å; A193-L195 PolarHBondContact O-N 3.46Å; A193-N196 PolarHBondContact O-N 3.47Å; A193-V197 WeakPolarHBondContact O-CG2 3.17Å; A193-V197 PolarHBondContact O-N 3.27Å |
| 194 | I | 95 | Very high | 90.7 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.7 | -66.5 | 166.8 | 0 | 0 | 0 | 110.8 | L190 M191 V197 F198 | L190-I194 HydrophobicContact CD1-CD1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4.05Å; L190-I194 WeakPolarHBondContact O-CG1 3.2Å; L190-I194 PolarHBondContact O-N 2.87Å; M191-I194 PolarHBondContact O-N 2.88Å; I194-V197 PolarHBondContact O-N 3.48Å; I194-F198 PolarHBondContact O-N 2.93Å |
| 195 | L | 93.9 | Very high | 90.6 | Very high | 84 Ų | 84 | 73 Ų | 73 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 178.4 | -174.2 | 77.3 | 0 | 0 | 0 | 111.4 | M191 V192 A193 V197 F198 L199 M207 | M191-L195 WeakPolarHBondContact O-CB 3.28Å; M191-L195 PolarHBondContact O-N 3.38Å; V192-L195 PolarHBondContact O-N 3.08Å; A193-L195 VanDerWaalsContact C-N 3.35Å; A193-L195 PolarHBondContact O-N 3.46Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.3Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; L195-F198 PolarHBondContact O-N 3.09Å; L195-L199 HydrophobicContact CD2-CD1 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.85Å; L195-L199 HydrophobicContact CG-CG 4.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.99Å; L195-M207 HydrophobicContact CD2-CB 3.87Å; L195-M207 HydrophobicContact CD2-CG 4.44Å |
| 196 | N | 93.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 76.4 Ų | 76.4 | 10% | 0.096 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69 | -31.1 | -179.1 | -77.4 | -30.5 | 0 | 0 | 0 | 113 | V192 A193 F198 L199 S200 W206 M207 | V192-N196 WeakPolarHBondContact CG1-ND2 3.29Å; V192-N196 WeakPolarHBondContact O-CB 3.22Å; V192-N196 PolarHBondContact O-N 2.89Å; V192-N196 PolarHBondContact O-ND2 3.45Å; A193-N196 PolarHBondContact O-N 3.47Å; N196-F198 VanDerWaalsContact C-N 3.35Å; N196-L199 PolarHBondContact O-N 3.4Å; N196-S200 VanDerWaalsContact O-CB 3.23Å; N196-S200 WeakPolarHBondContact O-CB 3.36Å; N196-S200 PolarHBondContact O-N 2.88Å; N196-W206 WeakPolarHBondContact OD1-CA 3.29Å; N196-W206 WeakPolarHBondContact OD1-CB 3.26Å; N196-M207 PolarHBondContact ND2-O 3.46Å; N196-M207 VanDerWaalsContact ND2-O 3.08Å; N196-M207 PolarHBondContact OD1-N 2.92Å; N196-M207 PolarHBondContact OD1-O 3.35Å |
| 197 | V | 91.9 | Very high | 90.6 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60 | -48 | 169.5 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | A193 I194 L195 S200 L201 | A193-V197 WeakPolarHBondContact O-CG2 3.17Å; A193-V197 PolarHBondContact O-N 3.27Å; I194-V197 PolarHBondContact O-N 3.48Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.3Å; V197-S200 PolarHBondContact O-N 3.42Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.19Å; V197-L201 PolarHBondContact O-N 2.81Å; V197-L201 VanDerWaalsContact O-N 3.16Å |
| 198 | F | 91.4 | Very high | 90.4 | Very high | 111 Ų | 111 | 73.5 Ų | 73.5 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -51 | 176.9 | -177.4 | -89.9 | 0 | 0 | 0 | 111.4 | I194 L195 N196 S200 L201 F202 | I194-F198 PolarHBondContact O-N 2.93Å; L195-F198 WeakPolarHBondContact O-CB 3.37Å; L195-F198 PolarHBondContact O-N 3.09Å; N196-F198 VanDerWaalsContact C-N 3.35Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.45Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L201 VanDerWaalsContact O-N 3.09Å; F198-F202 AromaticContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CE2 4.2Å; F198-F202 HydrophobicContact CD2-CD2 4.11Å; F198-F202 AromaticContact CD2-CE2 3.63Å; F198-F202 HydrophobicContact CD2-CE2 3.63Å; F198-F202 AromaticContact CE1-CD2 3.62Å; F198-F202 HydrophobicContact CE1-CD2 3.62Å; F198-F202 AromaticContact CE1-CE2 3.79Å; F198-F202 HydrophobicContact CE1-CE2 3.79Å; F198-F202 AromaticContact CE2-CD2 3.88Å; F198-F202 HydrophobicContact CE2-CD2 3.88Å; F198-F202 AromaticContact CE2-CE2 3.18Å; F198-F202 HydrophobicContact CE2-CE2 3.18Å; F198-F202 AromaticContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CG-CD2 4.12Å; F198-F202 HydrophobicContact CG-CE2 4.13Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.26Å; F198-F202 HydrophobicContact CZ-CE2 3.26Å; F198-F202 AromaticContact CZ-CZ 3.99Å; F198-F202 HydrophobicContact CZ-CZ 3.99Å; F198-F202 VanDerWaalsContact O-CD2 3.27Å; F198-F202 WeakPolarHBondContact O-CD2 3.34Å; F198-F202 PolarHBondContact O-N 2.86Å |
| 199 | L | 90.5 | Very high | 90.1 | Very high | 20 Ų | 20 | 71.3 Ų | 71.3 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 179.6 | -67.2 | 167.8 | 0 | 0 | 0 | 112 | L195 N196 L201 F202 G203 L204 M207 | L195-L199 HydrophobicContact CD2-CD1 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.85Å; L195-L199 HydrophobicContact CG-CG 4.37Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.99Å; N196-L199 PolarHBondContact O-N 3.4Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.75Å; L199-F202 PolarHBondContact O-N 3.4Å; L199-G203 PolarHBondContact O-N 3.28Å; L199-G203 VanDerWaalsContact O-N 3.13Å; L199-L204 HydrophobicContact CB-CB 4.18Å; L199-L204 HydrophobicContact CD2-CB 3.63Å; L199-L204 HydrophobicContact CD2-CD1 3.84Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 PolarHBondContact O-N 3.2Å; L199-M207 HydrophobicContact CD1-CB 3.98Å; L199-M207 HydrophobicContact CD1-CG 3.68Å |
| 200 | S | 88.7 | Confident | 89.7 | Confident | 62 Ų | 62 | 71 Ų | 71 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 113.3 | N196 V197 F198 G203 | N196-S200 VanDerWaalsContact O-CB 3.23Å; N196-S200 WeakPolarHBondContact O-CB 3.36Å; N196-S200 PolarHBondContact O-N 2.88Å; V197-S200 PolarHBondContact O-N 3.42Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.45Å; S200-G203 PolarHBondContact O-N 3.25Å |
| 201 | L | 86.5 | Confident | 89 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 178.7 | -72 | 169 | 0 | 0 | 0 | 111.9 | A137 I139 V197 F198 L199 G203 | A137-L201 PolarHBondContact N-O 2.93Å; I139-L201 HydrophobicContact CD1-CD2 4.48Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.19Å; V197-L201 PolarHBondContact O-N 2.81Å; V197-L201 VanDerWaalsContact O-N 3.16Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L201 VanDerWaalsContact O-N 3.09Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.75Å; L201-G203 VanDerWaalsContact C-N 3.32Å |
| 202 | F | 85.4 | Confident | 88.4 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.3 | 178.9 | -70 | -77.7 | 0 | 0 | 0 | 113.9 | F198 L199 L204 | F198-F202 AromaticContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CD2 3.9Å; F198-F202 HydrophobicContact CD1-CE2 4.2Å; F198-F202 HydrophobicContact CD2-CD2 4.11Å; F198-F202 AromaticContact CD2-CE2 3.63Å; F198-F202 HydrophobicContact CD2-CE2 3.63Å; F198-F202 AromaticContact CE1-CD2 3.62Å; F198-F202 HydrophobicContact CE1-CD2 3.62Å; F198-F202 AromaticContact CE1-CE2 3.79Å; F198-F202 HydrophobicContact CE1-CE2 3.79Å; F198-F202 AromaticContact CE2-CD2 3.88Å; F198-F202 HydrophobicContact CE2-CD2 3.88Å; F198-F202 AromaticContact CE2-CE2 3.18Å; F198-F202 HydrophobicContact CE2-CE2 3.18Å; F198-F202 AromaticContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CE2-CZ 3.99Å; F198-F202 HydrophobicContact CG-CD2 4.12Å; F198-F202 HydrophobicContact CG-CE2 4.13Å; F198-F202 AromaticContact CZ-CD2 3.62Å; F198-F202 HydrophobicContact CZ-CD2 3.62Å; F198-F202 AromaticContact CZ-CE2 3.26Å; F198-F202 HydrophobicContact CZ-CE2 3.26Å; F198-F202 AromaticContact CZ-CZ 3.99Å; F198-F202 HydrophobicContact CZ-CZ 3.99Å; F198-F202 VanDerWaalsContact O-CD2 3.27Å; F198-F202 WeakPolarHBondContact O-CD2 3.34Å; F198-F202 PolarHBondContact O-N 2.86Å; L199-F202 PolarHBondContact O-N 3.4Å; F202-L204 HydrophobicContact CB-CD1 3.9Å; F202-L204 HydrophobicContact CB-CG 3.99Å; F202-L204 PolarHBondContact O-N 3.1Å |
| 203 | G | 81.8 | Confident | 88 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 63% | 0.629 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 22.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L199 S200 L201 | L199-G203 PolarHBondContact O-N 3.28Å; L199-G203 VanDerWaalsContact O-N 3.13Å; S200-G203 PolarHBondContact O-N 3.25Å; L201-G203 VanDerWaalsContact C-N 3.32Å |
| 204 | L | 85.2 | Confident | 87.7 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 151.7 | 177.5 | -68 | 169.9 | 0 | 0 | 0 | 110.2 | I133 L199 F202 | I133-L204 HydrophobicContact CG2-CD2 4.32Å; L199-L204 HydrophobicContact CB-CB 4.18Å; L199-L204 HydrophobicContact CD2-CB 3.63Å; L199-L204 HydrophobicContact CD2-CD1 3.84Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 PolarHBondContact O-N 3.2Å; F202-L204 HydrophobicContact CB-CD1 3.9Å; F202-L204 HydrophobicContact CB-CG 3.99Å; F202-L204 PolarHBondContact O-N 3.1Å |
| 205 | P | 87.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 64 Ų | 64 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 141.8 | 175.6 | 27.5 | -35 | 0 | 0 | 0 | 110.5 | ||
| 206 | W | 90 | Very high | 86.8 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 152.7 | 177.7 | -58 | -27.5 | 0 | 0 | 0 | 111.7 | L157 F161 N196 | L157-W206 HydrophobicContact CB-CZ3 4.41Å; L157-W206 HydrophobicContact CD1-CH2 3.82Å; L157-W206 HydrophobicContact CD1-CZ3 3.52Å; L157-W206 HydrophobicContact CD2-CZ3 4.34Å; L157-W206 HydrophobicContact CG-CZ3 4.29Å; F161-W206 HydrophobicContact CE2-CB 4.08Å; F161-W206 HydrophobicContact CE2-CD2 4.34Å; F161-W206 AromaticContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CE3 3.93Å; F161-W206 HydrophobicContact CE2-CG 4.45Å; F161-W206 HydrophobicContact CZ-CB 3.87Å; F161-W206 HydrophobicContact CZ-CD2 4.4Å; F161-W206 AromaticContact CZ-CE3 3.78Å; F161-W206 HydrophobicContact CZ-CE3 3.78Å; N196-W206 WeakPolarHBondContact OD1-CA 3.29Å; N196-W206 WeakPolarHBondContact OD1-CB 3.26Å |
| 207 | M | 89.8 | Confident | 86.6 | Confident | 101 Ų | 101 | 65 Ų | 65 | 50% | 0.498 | 36% | 0.361 | S | S | . | . | trans | -119.2 | 139.8 | -178.9 | -65.6 | -65.2 | -65.2 | 0 | 0 | 109.7 | L195 N196 L199 | L195-M207 HydrophobicContact CD2-CB 3.87Å; L195-M207 HydrophobicContact CD2-CG 4.44Å; N196-M207 PolarHBondContact ND2-O 3.46Å; N196-M207 VanDerWaalsContact ND2-O 3.08Å; N196-M207 PolarHBondContact OD1-N 2.92Å; N196-M207 PolarHBondContact OD1-O 3.35Å; L199-M207 HydrophobicContact CD1-CB 3.98Å; L199-M207 HydrophobicContact CD1-CG 3.68Å | ||
| 208 | H | 88.9 | Confident | 86.4 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | trans | -145.4 | 171.6 | 175.4 | 66.1 | 98.8 | 0 | 0 | 0 | 109.8 | F161 D164 A210 | F161-H208 HydrophobicContact CD1-CB 3.81Å; F161-H208 HydrophobicContact CE1-CB 3.99Å; F161-H208 AromaticContact CE1-CD2 3.82Å; F161-H208 HydrophobicContact CG-CB 4.38Å; D164-H208 IonicContact OD2-CE1 3.83Å; D164-H208 IonicContact OD2-ND1 2.95Å; D164-H208 PolarHBondContact OD2-ND1 3.05Å; H208-A210 PolarHBondContact O-N 3.38Å | ||
| 209 | A | 86.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | trans | -63.3 | 129.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q165 T168 | Q165-A209 VanDerWaalsContact OE1-CB 3.32Å; T168-A209 HydrophobicContact CG2-CB 3.92Å | ||
| 210 | A | 82.5 | Confident | 85.8 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 37% | 0.372 | 35% | 0.349 | S | S | . | . | trans | -106.6 | 123.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H208 H213 S214 | H208-A210 PolarHBondContact O-N 3.38Å; A210-H213 HydrophobicContact CB-CB 4.35Å; A210-H213 PolarHBondContact O-N 3.45Å; A210-S214 PolarHBondContact O-N 3.24Å; A210-S214 PolarHBondContact O-OG 3.09Å | ||
| 211 | L | 80 | Confident | 85.8 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 129.5 | 163.1 | -69.2 | 166.4 | 0 | 0 | 0 | 107.5 | F6 I10 I167 T168 I171 P215 | F6-L211 HydrophobicContact CD1-CD1 3.58Å; F6-L211 HydrophobicContact CE1-CD1 3.58Å; I10-L211 HydrophobicContact CG1-CB 4.48Å; I10-L211 HydrophobicContact CG2-CB 4.44Å; I167-L211 HydrophobicContact CG2-CD1 4.17Å; T168-L211 HydrophobicContact CG2-CD2 4.2Å; T168-L211 HydrophobicContact CG2-CG 4.45Å; I171-L211 HydrophobicContact CD1-CD1 3.9Å; I171-L211 HydrophobicContact CD1-CD2 3.87Å; L211-P215 HydrophobicContact CD2-CG 3.92Å |
| 212 | P | 81 | Confident | 85.9 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -104.3 | 7.5 | 19.8 | 37.1 | -21.3 | 0 | 0 | 0 | 112.5 | F14 S214 P215 L216 M281 | F14-P212 HydrophobicContact CD2-CG 4.42Å; F14-P212 HydrophobicContact CE2-CG 3.63Å; F14-P212 HydrophobicContact CZ-CG 4.34Å; P212-S214 PolarHBondContact O-N 3Å; P212-P215 VanDerWaalsContact O-CD 3.25Å; P212-P215 WeakPolarHBondContact O-CD 3.48Å; P212-P215 VanDerWaalsContact O-CG 3.29Å; P212-P215 WeakPolarHBondContact O-CG 3.43Å; P212-L216 VanDerWaalsContact O-CB 3.32Å; P212-L216 WeakPolarHBondContact O-CB 3.46Å; P212-L216 PolarHBondContact O-N 3.41Å; P212-L216 VanDerWaalsContact O-N 3.09Å; P212-M281 HydrophobicContact CG-CB 4.03Å; P212-M281 HydrophobicContact CG-SD 4.25Å |
| 213 | H | 84.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 56.6 Ų | 56.6 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -172.3 | -178.3 | -93.6 | 0 | 0 | 0 | 112 | A210 L216 H217 | A210-H213 HydrophobicContact CB-CB 4.35Å; A210-H213 PolarHBondContact O-N 3.45Å; H213-L216 PolarHBondContact O-N 3.22Å; H213-H217 WeakPolarHBondContact O-CB 3.4Å; H213-H217 PolarHBondContact O-N 3.23Å |
| 214 | S | 88.1 | Confident | 85.9 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | -177.6 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | A210 P212 L216 H217 L218 | A210-S214 PolarHBondContact O-N 3.24Å; A210-S214 PolarHBondContact O-OG 3.09Å; P212-S214 PolarHBondContact O-N 3Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.48Å; S214-H217 PolarHBondContact O-N 2.95Å; S214-L218 PolarHBondContact O-N 3.48Å |
| 215 | P | 84.7 | Confident | 85.6 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 173.8 | 23.9 | -32.6 | 0 | 0 | 0 | 112.8 | I171 L211 P212 L218 R219 | I171-P215 HydrophobicContact CG2-CB 4.35Å; L211-P215 HydrophobicContact CD2-CG 3.92Å; P212-P215 VanDerWaalsContact O-CD 3.25Å; P212-P215 WeakPolarHBondContact O-CD 3.48Å; P212-P215 VanDerWaalsContact O-CG 3.29Å; P212-P215 WeakPolarHBondContact O-CG 3.43Å; P215-L218 PolarHBondContact O-N 3.41Å; P215-R219 WeakPolarHBondContact O-CB 3.44Å; P215-R219 PolarHBondContact O-N 3.33Å |
| 216 | L | 84.7 | Confident | 85.1 | Confident | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175 | -174.3 | 65.7 | 0 | 0 | 0 | 111.7 | P212 H213 S214 R219 A220 | P212-L216 VanDerWaalsContact O-CB 3.32Å; P212-L216 WeakPolarHBondContact O-CB 3.46Å; P212-L216 PolarHBondContact O-N 3.41Å; P212-L216 VanDerWaalsContact O-N 3.09Å; H213-L216 PolarHBondContact O-N 3.22Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.48Å; L216-R219 PolarHBondContact O-N 3.21Å; L216-A220 PolarHBondContact O-N 3.15Å |
| 217 | H | 88 | Confident | 84.4 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.7 | 177.1 | -96.9 | 0 | 0 | 0 | 111.9 | H213 S214 R219 A220 L221 | H213-H217 WeakPolarHBondContact O-CB 3.4Å; H213-H217 PolarHBondContact O-N 3.23Å; S214-H217 PolarHBondContact O-N 2.95Å; H217-R219 VanDerWaalsContact C-N 3.33Å; H217-A220 PolarHBondContact O-N 3.35Å; H217-L221 WeakPolarHBondContact CE1-CD1 3.37Å; H217-L221 PolarHBondContact O-N 3.03Å |
| 218 | L | 88.6 | Confident | 83.6 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.6 | 179.3 | 146.8 | 0 | 0 | 0 | 111.1 | I172 N177 L179 S214 P215 A220 L221 A222 I237 V240 | I172-L218 HydrophobicContact CB-CD1 4.47Å; I172-L218 HydrophobicContact CG2-CD1 3.77Å; N177-L218 HydrophobicContact CB-CD1 4.21Å; N177-L218 HydrophobicContact CB-CD2 4.21Å; L179-L218 HydrophobicContact CD1-CD1 4.23Å; L179-L218 HydrophobicContact CD2-CD1 4.05Å; L179-L218 HydrophobicContact CG-CD1 4.48Å; S214-L218 PolarHBondContact O-N 3.48Å; P215-L218 PolarHBondContact O-N 3.41Å; L218-A220 PolarHBondContact O-N 3.04Å; L218-L221 CarbonylContact O-C 3.54Å; L218-L221 PolarHBondContact O-N 3.18Å; L218-L221 VanDerWaalsContact O-N 3.1Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.3Å; L218-A222 VanDerWaalsContact O-N 3.13Å; L218-I237 HydrophobicContact CD2-CD1 4.29Å; L218-V240 HydrophobicContact CG-CG1 4.38Å |
| 219 | R | 84.6 | Confident | 82.3 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 28% | 0.275 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 179.7 | -171.9 | 173.2 | -175.7 | 143.6 | 12.4 | 112.2 | Y81 P215 L216 H217 L221 A222 E235 | Y81-R219 PolarHBondContact OH-NH2 2.91Å; P215-R219 WeakPolarHBondContact O-CB 3.44Å; P215-R219 PolarHBondContact O-N 3.33Å; L216-R219 PolarHBondContact O-N 3.21Å; H217-R219 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 3.1Å; R219-A222 WeakPolarHBondContact O-CB 3.46Å; R219-A222 PolarHBondContact O-N 3.1Å; R219-A222 VanDerWaalsContact O-N 3.08Å; R219-E235 IonicContact NH2-OE2 3.48Å; R219-E235 PolarHBondContact NH2-OE2 3.19Å |
| 220 | A | 85 | Confident | 81 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -17.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L216 H217 L218 | L216-A220 PolarHBondContact O-N 3.15Å; H217-A220 PolarHBondContact O-N 3.35Å; L218-A220 PolarHBondContact O-N 3.04Å |
| 221 | L | 88.4 | Confident | 79.9 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -1.7 | 174.9 | -67.4 | 172.4 | 0 | 0 | 0 | 112.9 | H217 L218 R219 V240 R241 | H217-L221 WeakPolarHBondContact CE1-CD1 3.37Å; H217-L221 PolarHBondContact O-N 3.03Å; L218-L221 CarbonylContact O-C 3.54Å; L218-L221 PolarHBondContact O-N 3.18Å; L218-L221 VanDerWaalsContact O-N 3.1Å; R219-L221 PolarHBondContact O-N 3.1Å; L221-V240 HydrophobicContact CB-CG1 4.45Å; L221-R241 PolarHBondContact O-N 3.41Å |
| 222 | A | 88.2 | Confident | 79 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L218 R219 V224 I237 Y239 V240 | L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.3Å; L218-A222 VanDerWaalsContact O-N 3.13Å; R219-A222 WeakPolarHBondContact O-CB 3.46Å; R219-A222 PolarHBondContact O-N 3.1Å; R219-A222 VanDerWaalsContact O-N 3.08Å; A222-V224 PolarHBondContact O-N 3.14Å; A222-I237 HydrophobicContact CB-CD1 4.43Å; A222-I237 HydrophobicContact CB-CG1 4.25Å; A222-I237 HydrophobicContact CB-CG2 3.89Å; A222-Y239 CarbonylContact C-O 3.59Å; A222-Y239 WeakPolarHBondContact CA-O 3.36Å; A222-V240 HydrophobicContact CB-CG2 3.9Å |
| 223 | D | 85.6 | Confident | 78.3 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.9 | 169.5 | -69 | -40.1 | 0 | 0 | 0 | 108.5 | T238 Y239 R241 | D223-T238 PolarHBondContact O-N 3.29Å; D223-T238 PolarHBondContact O-OG1 3.34Å; D223-Y239 PolarHBondContact N-O 3.17Å; D223-R241 IonicContact OD1-CZ 3.25Å; D223-R241 IonicContact OD1-NH2 3.65Å; D223-R241 PolarHBondContact OD1-NH2 2.9Å; D223-R241 IonicContact OD2-CZ 3.88Å; D223-R241 IonicContact OD2-NE 3.65Å; D223-R241 PolarHBondContact OD2-NE 3.48Å; D223-R241 IonicContact OD2-NH2 3.56Å; D223-R241 PolarHBondContact OD2-NH2 3.46Å |
| 224 | V | 82.2 | Confident | 77.5 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.9 | -179.1 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | A222 E235 I237 | A222-V224 PolarHBondContact O-N 3.14Å; V224-E235 HydrophobicContact CG1-CB 3.66Å; V224-E235 HydrophobicContact CG1-CG 4.05Å; V224-I237 HydrophobicContact CG2-CG1 4.35Å |
| 225 | E | 79.4 | Confident | 76.8 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.5 | 171.6 | -69 | -173.9 | 163.5 | 0 | 0 | 110.9 | R227 V236 T238 | E225-R227 PolarHBondContact O-N 3.23Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.47Å; E225-R227 IonicContact OE2-NH2 3.83Å; E225-R227 PolarHBondContact OE2-NH2 3.33Å; E225-V236 PolarHBondContact N-O 3.48Å; E225-V236 PolarHBondContact O-N 3.13Å; E225-T238 HydrophobicContact CB-CG2 3.7Å; E225-T238 VanDerWaalsContact CD-CG2 3.41Å; E225-T238 HydrophobicContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact OE2-CG2 3.24Å; E225-T238 WeakPolarHBondContact OE2-CG2 3.4Å |
| 226 | E | 76.1 | Confident | 76.5 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.8 | 167.4 | -72.9 | 177.3 | -175.5 | 0 | 0 | 109 | V233 E235 | E226-V233 HydrophobicContact CB-CG1 3.69Å; E226-V233 HydrophobicContact CG-CG1 3.86Å; E226-E235 HydrophobicContact CG-CG 4.2Å |
| 227 | R | 75 | Confident | 76.4 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.4 | 173.3 | -66.4 | -168.5 | -179.6 | -179.6 | -0.8 | 109.7 | E225 S229 H234 V236 | E225-R227 PolarHBondContact O-N 3.23Å; E225-R227 IonicContact OE2-CZ 2.68Å; E225-R227 IonicContact OE2-NE 3.47Å; E225-R227 IonicContact OE2-NH2 3.83Å; E225-R227 PolarHBondContact OE2-NH2 3.33Å; R227-S229 PolarHBondContact O-N 3.01Å; R227-H234 PolarHBondContact N-O 2.71Å; R227-H234 PolarHBondContact O-N 2.91Å; R227-V236 HydrophobicContact CB-CG2 4.42Å |
| 228 | V | 72.7 | Confident | 76.2 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 62% | 0.624 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.1 | 174.8 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | H232 V233 | V228-H232 WeakPolarHBondContact CA-O 3.46Å; V228-V233 HydrophobicContact CG2-CG2 4.21Å |
| 229 | S | 62.3 | Low | 76.1 | Confident | 69 Ų | 69 | 68 Ų | 68 | 48% | 0.483 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.7 | 170.9 | -74.3 | 0 | 0 | 0 | 0 | 108.1 | R227 G231 H232 | R227-S229 PolarHBondContact O-N 3.01Å; S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 3.13Å; S229-H232 PolarHBondContact N-O 3.48Å; S229-H232 PolarHBondContact O-N 3.49Å; S229-H232 VanDerWaalsContact O-N 3.16Å |
| 230 | Q | 58.4 | Low | 76.4 | Confident | 113 Ų | 113 | 65 Ų | 65 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 37.7 | 175.5 | -51.5 | -171.1 | 12.2 | 0 | 0 | 114.5 | H232 P307 R312 | Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.41Å; Q230-P307 HydrophobicContact CB-CG 4.33Å; Q230-P307 PolarHBondContact OE1-O 3.26Å; Q230-R312 VanDerWaalsContact OE1-CZ 3.26Å |
| 231 | G | 61.1 | Low | 76.7 | Confident | 66 Ų | 66 | 68 Ų | 68 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -6.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S229 | S229-G231 VanDerWaalsContact C-N 3.29Å; S229-G231 PolarHBondContact O-N 3.13Å |
| 232 | H | 60.7 | Low | 76.7 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 39% | 0.389 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.3 | 171.1 | -73.9 | -78.2 | 0 | 0 | 0 | 111.4 | V228 S229 Q230 H234 P307 | V228-H232 WeakPolarHBondContact CA-O 3.46Å; S229-H232 PolarHBondContact N-O 3.48Å; S229-H232 PolarHBondContact O-N 3.49Å; S229-H232 VanDerWaalsContact O-N 3.16Å; Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.41Å; H232-H234 PolarHBondContact O-N 3.18Å; H232-P307 VanDerWaalsContact CD2-CD 3.48Å; H232-P307 WeakPolarHBondContact CD2-CD 3.3Å; H232-P307 WeakPolarHBondContact NE2-CD 3.39Å |
| 233 | V | 66.1 | Low | 76.8 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 53% | 0.527 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 110.3 | 174 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | E226 V228 | E226-V233 HydrophobicContact CB-CG1 3.69Å; E226-V233 HydrophobicContact CG-CG1 3.86Å; V228-V233 HydrophobicContact CG2-CG2 4.21Å |
| 234 | H | 67.2 | Low | 77.1 | Confident | 75 Ų | 75 | 79.4 Ų | 79.4 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.2 | 172.6 | -68.6 | -78.2 | 0 | 0 | 0 | 109.8 | R227 H232 V236 | R227-H234 PolarHBondContact N-O 2.71Å; R227-H234 PolarHBondContact O-N 2.91Å; H232-H234 PolarHBondContact O-N 3.18Å; H234-V236 PolarHBondContact O-N 3.22Å |
| 235 | E | 73.4 | Confident | 77.6 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.7 | 170.9 | -72.4 | 178 | -169.8 | 0 | 0 | 108.4 | R84 R219 V224 E226 | R84-E235 IonicContact CZ-OE1 2.64Å; R84-E235 IonicContact CZ-OE2 2.99Å; R84-E235 IonicContact NE-OE1 3.58Å; R84-E235 IonicContact NH2-OE1 3.59Å; R84-E235 PolarHBondContact NH2-OE1 2.84Å; R84-E235 IonicContact NH2-OE2 2.9Å; R84-E235 PolarHBondContact NH2-OE2 3.45Å; R219-E235 IonicContact NH2-OE2 3.48Å; R219-E235 PolarHBondContact NH2-OE2 3.19Å; V224-E235 HydrophobicContact CG1-CB 3.66Å; V224-E235 HydrophobicContact CG1-CG 4.05Å; E226-E235 HydrophobicContact CG-CG 4.2Å |
| 236 | V | 78.9 | Confident | 78.1 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.3 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | E225 R227 H234 T238 | E225-V236 PolarHBondContact N-O 3.48Å; E225-V236 PolarHBondContact O-N 3.13Å; R227-V236 HydrophobicContact CB-CG2 4.42Å; H234-V236 PolarHBondContact O-N 3.22Å; V236-T238 PolarHBondContact O-N 3.06Å |
| 237 | I | 82.2 | Confident | 78.8 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.138 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 122.3 | 170.2 | -64.1 | 166.8 | 0 | 0 | 0 | 108 | N177 K178 L218 A222 V224 V240 | N177-I237 WeakPolarHBondContact OD1-CD1 3.33Å; K178-I237 WeakPolarHBondContact CD-O 3.45Å; K178-I237 WeakPolarHBondContact CE-O 3.28Å; K178-I237 PolarHBondContact NZ-O 2.97Å; L218-I237 HydrophobicContact CD2-CD1 4.29Å; A222-I237 HydrophobicContact CB-CD1 4.43Å; A222-I237 HydrophobicContact CB-CG1 4.25Å; A222-I237 HydrophobicContact CB-CG2 3.89Å; V224-I237 HydrophobicContact CG2-CG1 4.35Å; I237-V240 HydrophobicContact CG2-CG2 3.53Å |
| 238 | T | 83.1 | Confident | 79.6 | Confident | 36 Ų | 36 | 81 Ų | 81 | 22% | 0.221 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -41.6 | -179.2 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | D223 E225 V236 | D223-T238 PolarHBondContact O-N 3.29Å; D223-T238 PolarHBondContact O-OG1 3.34Å; E225-T238 HydrophobicContact CB-CG2 3.7Å; E225-T238 VanDerWaalsContact CD-CG2 3.41Å; E225-T238 HydrophobicContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact CG-CG2 3.5Å; E225-T238 VanDerWaalsContact OE2-CG2 3.24Å; E225-T238 WeakPolarHBondContact OE2-CG2 3.4Å; V236-T238 PolarHBondContact O-N 3.06Å |
| 239 | Y | 87.8 | Confident | 80.7 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 138.5 | -175.6 | 179.3 | -111.2 | 0 | 0 | 0 | 109.7 | A222 D223 R241 | A222-Y239 CarbonylContact C-O 3.59Å; A222-Y239 WeakPolarHBondContact CA-O 3.36Å; D223-Y239 PolarHBondContact N-O 3.17Å; Y239-R241 HydrophobicContact CD1-CG 4.13Å; Y239-R241 HydrophobicContact CE1-CG 3.64Å |
| 240 | V | 90.1 | Very high | 82 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.7 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | N177 L179 L218 L221 A222 I237 E242 | N177-V240 WeakPolarHBondContact O-CG2 3.46Å; L179-V240 HydrophobicContact CD2-CB 3.96Å; L179-V240 HydrophobicContact CD2-CG1 3.83Å; L179-V240 HydrophobicContact CD2-CG2 4.22Å; L218-V240 HydrophobicContact CG-CG1 4.38Å; L221-V240 HydrophobicContact CB-CG1 4.45Å; A222-V240 HydrophobicContact CB-CG2 3.9Å; I237-V240 HydrophobicContact CG2-CG2 3.53Å; V240-E242 PolarHBondContact O-N 2.87Å; V240-E242 VanDerWaalsContact O-N 3.15Å |
| 241 | R | 90.8 | Very high | 83.6 | Confident | 127 Ų | 127 | 79.3 Ų | 79.3 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | trans | -81.8 | 88.5 | 177 | -66.3 | 174.5 | -165.7 | 166.6 | 11.8 | 110.1 | L221 D223 Y239 T243 | L221-R241 PolarHBondContact O-N 3.41Å; D223-R241 IonicContact OD1-CZ 3.25Å; D223-R241 IonicContact OD1-NH2 3.65Å; D223-R241 PolarHBondContact OD1-NH2 2.9Å; D223-R241 IonicContact OD2-CZ 3.88Å; D223-R241 IonicContact OD2-NE 3.65Å; D223-R241 PolarHBondContact OD2-NE 3.48Å; D223-R241 IonicContact OD2-NH2 3.56Å; D223-R241 PolarHBondContact OD2-NH2 3.46Å; Y239-R241 HydrophobicContact CD1-CG 4.13Å; Y239-R241 HydrophobicContact CE1-CG 3.64Å; R241-T243 PolarHBondContact O-N 2.89Å | ||
| 242 | E | 89.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 24% | 0.243 | 39% | 0.387 | C | S | . | . | trans | -74 | 91.3 | 178.4 | -65 | 170.9 | -176 | 0 | 0 | 112 | L179 R180 K181 V240 | L179-E242 WeakPolarHBondContact CA-OE1 3.35Å; L179-E242 HydrophobicContact CD2-CG 4.23Å; R180-E242 PolarHBondContact N-OE1 3.33Å; K181-E242 WeakPolarHBondContact CB-OE2 3.28Å; K181-E242 WeakPolarHBondContact CD-OE2 3.44Å; K181-E242 WeakPolarHBondContact CE-OE2 3.32Å; K181-E242 WeakPolarHBondContact CG-OE2 3.34Å; K181-E242 PolarHBondContact N-OE1 3.48Å; K181-E242 PolarHBondContact N-OE2 2.93Å; K181-E242 PolarHBondContact NZ-O 2.94Å; K181-E242 IonicContact NZ-OE2 3.54Å; V240-E242 PolarHBondContact O-N 2.87Å; V240-E242 VanDerWaalsContact O-N 3.15Å | ||
| 243 | T | 90.7 | Very high | 86.5 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | trans | -117 | 141.9 | 179.2 | 70.2 | 0 | 0 | 0 | 0 | 112 | R241 | R241-T243 PolarHBondContact O-N 2.89Š| ||
| 244 | R | 90.9 | Very high | 87.6 | Confident | 226 Ų | 226 | 81 Ų | 81 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -90.3 | -17 | 172.2 | -64 | -178.3 | 179.8 | 175.7 | -0.9 | 112.8 | T247 F248 | R244-T247 PolarHBondContact O-OG1 3.31Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å; R244-F248 WeakPolarHBondContact O-CB 3.47Å; R244-F248 PolarHBondContact O-N 3.42Å; R244-F248 VanDerWaalsContact O-N 3.12Å |
| 245 | L | 92.1 | Very high | 88.5 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -72.1 | -34.2 | -176.7 | -177.5 | 139.7 | 0 | 0 | 0 | 111.5 | F248 L249 | L245-F248 PolarHBondContact O-N 2.85Å; L245-L249 HydrophobicContact CD2-CD1 3.4Å; L245-L249 HydrophobicContact CD2-CG 4.08Å; L245-L249 HydrophobicContact CG-CD1 4.06Å; L245-L249 HydrophobicContact CG-CG 4.22Å; L245-L249 VanDerWaalsContact O-CB 3.3Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 3.31Å |
| 246 | A | 91.1 | Very high | 89 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S250 | A246-S250 WeakPolarHBondContact O-CB 3.38Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.08Å |
| 247 | T | 89.8 | Confident | 89.1 | Confident | 54 Ų | 54 | 80 Ų | 80 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 178.2 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | R244 S250 H251 | R244-T247 PolarHBondContact O-OG1 3.31Å; R244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-S250 WeakPolarHBondContact CA-OG 3.32Å; T247-S250 PolarHBondContact O-N 2.95Å; T247-S250 PolarHBondContact O-OG 2.93Å; T247-H251 PolarHBondContact O-CD2 2.94Å; T247-H251 PolarHBondContact O-N 3.49Å |
| 248 | F | 93.2 | Very high | 88.9 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 61% | 0.61 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.6 | -49.4 | 174.8 | 179.4 | -100.5 | 0 | 0 | 0 | 111.5 | R244 L245 S250 H251 C252 | R244-F248 WeakPolarHBondContact O-CB 3.47Å; R244-F248 PolarHBondContact O-N 3.42Å; R244-F248 VanDerWaalsContact O-N 3.12Å; L245-F248 PolarHBondContact O-N 2.85Å; F248-S250 PolarHBondContact O-N 3.35Å; F248-H251 PolarHBondContact O-N 3.47Å; F248-C252 WeakPolarHBondContact O-CB 3.36Å; F248-C252 PolarHBondContact O-N 3.25Å; F248-C252 PolarHBondContact O-SG 3.09Å |
| 249 | L | 94.2 | Very high | 88.5 | Confident | 85 Ų | 85 | 86.7 Ų | 86.7 | 45% | 0.445 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178 | -73.2 | -178.6 | 0 | 0 | 0 | 112.2 | L245 C252 L253 | L245-L249 HydrophobicContact CD2-CD1 3.4Å; L245-L249 HydrophobicContact CD2-CG 4.08Å; L245-L249 HydrophobicContact CG-CD1 4.06Å; L245-L249 HydrophobicContact CG-CG 4.22Å; L245-L249 VanDerWaalsContact O-CB 3.3Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 3.31Å; L249-C252 PolarHBondContact O-N 3.45Å; L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.45Å |
| 250 | S | 90.9 | Very high | 87.7 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 29% | 0.287 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.2 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | A246 T247 F248 L253 I254 | A246-S250 WeakPolarHBondContact O-CB 3.38Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.08Å; T247-S250 WeakPolarHBondContact CA-OG 3.32Å; T247-S250 PolarHBondContact O-N 2.95Å; T247-S250 PolarHBondContact O-OG 2.93Å; F248-S250 PolarHBondContact O-N 3.35Å; S250-L253 PolarHBondContact O-N 2.96Å; S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 VanDerWaalsContact O-CG1 3.22Å; S250-I254 WeakPolarHBondContact O-CG1 3.49Å; S250-I254 PolarHBondContact O-N 3.04Å |
| 251 | H | 91.4 | Very high | 86.5 | Confident | 123 Ų | 123 | 90.7 Ų | 90.7 | 57% | 0.569 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | 175.6 | -73.1 | -59.3 | 0 | 0 | 0 | 112.9 | T247 F248 L253 I254 G255 | T247-H251 PolarHBondContact O-CD2 2.94Å; T247-H251 PolarHBondContact O-N 3.49Å; F248-H251 PolarHBondContact O-N 3.47Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; H251-I254 PolarHBondContact O-N 2.94Å; H251-G255 PolarHBondContact O-N 3.26Å |
| 252 | C | 92.5 | Very high | 85.2 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 171.9 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | F248 L249 G255 T256 | F248-C252 WeakPolarHBondContact O-CB 3.36Å; F248-C252 PolarHBondContact O-N 3.25Å; F248-C252 PolarHBondContact O-SG 3.09Å; L249-C252 PolarHBondContact O-N 3.45Å; C252-G255 PolarHBondContact O-N 3.14Å; C252-T256 WeakPolarHBondContact O-CB 3.41Å; C252-T256 PolarHBondContact O-N 3.02Å; C252-T256 PolarHBondContact O-OG1 3.19Å |
| 253 | L | 90.6 | Very high | 83.9 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.3 | -39.3 | 176.4 | -74.3 | 168.8 | 0 | 0 | 0 | 111.9 | L249 S250 H251 T256 S257 | L249-L253 WeakPolarHBondContact O-CB 3.45Å; L249-L253 VanDerWaalsContact O-CG 3.25Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 3.45Å; S250-L253 PolarHBondContact O-N 2.96Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.92Å; L253-T256 PolarHBondContact O-N 2.85Å; L253-S257 WeakPolarHBondContact O-CB 3.37Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 3.47Å |
| 254 | I | 88 | Confident | 82.7 | Confident | 102 Ų | 102 | 91.5 Ų | 91.5 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.1 | -68.2 | 162.4 | 0 | 0 | 0 | 110.6 | S250 H251 S257 A258 | S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 VanDerWaalsContact O-CG1 3.22Å; S250-I254 WeakPolarHBondContact O-CG1 3.49Å; S250-I254 PolarHBondContact O-N 3.04Å; H251-I254 PolarHBondContact O-N 2.94Å; I254-S257 WeakPolarHBondContact CA-OG 3.31Å; I254-S257 PolarHBondContact O-N 3.4Å; I254-S257 PolarHBondContact O-OG 2.9Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.26Å |
| 255 | G | 87 | Confident | 81.6 | Confident | 44 Ų | 44 | 83.8 Ų | 83.8 | 45% | 0.454 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H251 C252 A258 L259 | H251-G255 PolarHBondContact O-N 3.26Å; C252-G255 PolarHBondContact O-N 3.14Å; G255-A258 PolarHBondContact O-N 3.02Å; G255-L259 PolarHBondContact O-N 3.1Å; G255-L259 VanDerWaalsContact O-N 3.09Å |
| 256 | T | 84.8 | Confident | 80.6 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | C252 L253 L259 L260 | C252-T256 WeakPolarHBondContact O-CB 3.41Å; C252-T256 PolarHBondContact O-N 3.02Å; C252-T256 PolarHBondContact O-OG1 3.19Å; L253-T256 PolarHBondContact O-N 2.85Å; T256-L259 PolarHBondContact O-N 3.13Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 PolarHBondContact O-N 3.2Å |
| 257 | S | 80.9 | Confident | 79.6 | Confident | 46 Ų | 46 | 83.7 Ų | 83.7 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.3 | -35.2 | 177.4 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | L253 I254 L261 L262 | L253-S257 WeakPolarHBondContact O-CB 3.37Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 3.47Å; I254-S257 WeakPolarHBondContact CA-OG 3.31Å; I254-S257 PolarHBondContact O-N 3.4Å; I254-S257 PolarHBondContact O-OG 2.9Å; S257-L261 CarbonylContact O-C 3.55Å; S257-L261 VanDerWaalsContact O-CA 3.28Å; S257-L261 WeakPolarHBondContact O-CA 3.39Å; S257-L261 VanDerWaalsContact O-CB 3.27Å; S257-L261 WeakPolarHBondContact O-CB 3.34Å; S257-L261 PolarHBondContact O-N 3.42Å; S257-L262 PolarHBondContact O-N 3.36Å; S257-L262 VanDerWaalsContact O-N 3.08Å |
| 258 | A | 76.6 | Confident | 79 | Confident | 46 Ų | 46 | 84.5 Ų | 84.5 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | I254 G255 L262 | I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.26Å; G255-A258 PolarHBondContact O-N 3.02Å; A258-L262 HydrophobicContact CB-CD1 4.04Å; A258-L262 VanDerWaalsContact O-CB 3.29Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 WeakPolarHBondContact O-CD1 3.13Å; A258-L262 VanDerWaalsContact O-CG 3.32Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å |
| 259 | L | 74.7 | Confident | 78.5 | Confident | 158 Ų | 158 | 79.6 Ų | 79.6 | 83% | 0.827 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | -176.2 | -172.4 | 66.1 | 0 | 0 | 0 | 113.8 | G255 T256 | G255-L259 PolarHBondContact O-N 3.1Å; G255-L259 VanDerWaalsContact O-N 3.09Å; T256-L259 PolarHBondContact O-N 3.13Å |
| 260 | L | 72 | Confident | 78.1 | Confident | 128 Ų | 128 | 75.7 Ų | 75.7 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -104.3 | -35.1 | -168 | -173.1 | 68.9 | 0 | 0 | 0 | 113.7 | T256 | T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 PolarHBondContact O-N 3.2Å |
| 261 | L | 65.2 | Low | 77.9 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 38% | 0.382 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -102 | -11.4 | -170.2 | -83.5 | 72.8 | 0 | 0 | 0 | 113.9 | S257 P263 M264 P265 | S257-L261 CarbonylContact O-C 3.55Å; S257-L261 VanDerWaalsContact O-CA 3.28Å; S257-L261 WeakPolarHBondContact O-CA 3.39Å; S257-L261 VanDerWaalsContact O-CB 3.27Å; S257-L261 WeakPolarHBondContact O-CB 3.34Å; S257-L261 PolarHBondContact O-N 3.42Å; L261-P263 VanDerWaalsContact C-N 3.32Å; L261-M264 PolarHBondContact O-N 2.82Å; L261-P265 HydrophobicContact CB-CG 3.75Å; L261-P265 HydrophobicContact CD2-CG 3.83Å; L261-P265 HydrophobicContact CG-CG 3.66Å; L261-P265 WeakPolarHBondContact O-CD 3.26Å |
| 262 | L | 62.9 | Low | 77.8 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.2 | 177.2 | -94 | 170.5 | 0 | 0 | 0 | 114.8 | Y127 S257 A258 L266 | Y127-L262 HydrophobicContact CD2-CD1 4.14Å; Y127-L262 HydrophobicContact CD2-CD2 3.64Å; Y127-L262 HydrophobicContact CD2-CG 4.45Å; Y127-L262 HydrophobicContact CE2-CD1 3.7Å; Y127-L262 HydrophobicContact CE2-CD2 4.06Å; Y127-L262 HydrophobicContact CE2-CG 4.46Å; Y127-L262 HydrophobicContact CG-CD2 4.2Å; S257-L262 PolarHBondContact O-N 3.36Å; S257-L262 VanDerWaalsContact O-N 3.08Å; A258-L262 HydrophobicContact CB-CD1 4.04Å; A258-L262 VanDerWaalsContact O-CB 3.29Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 WeakPolarHBondContact O-CD1 3.13Å; A258-L262 VanDerWaalsContact O-CG 3.32Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; L262-L266 HydrophobicContact CD2-CD2 4.11Å |
| 263 | P | 62.9 | Low | 77.8 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -27.3 | -176.2 | 27.2 | -32.1 | 0 | 0 | 0 | 115.2 | L261 | L261-P263 VanDerWaalsContact C-N 3.32Š|
| 264 | M | 65.8 | Low | 77.8 | Confident | 158 Ų | 158 | 68.4 Ų | 68.4 | 78% | 0.778 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -61 | -162.7 | -70.3 | -71.6 | -73.7 | 0 | 0 | 115.2 | L261 | L261-M264 PolarHBondContact O-N 2.82Š|
| 265 | P | 67.3 | Low | 78 | Confident | 63 Ų | 63 | 64 Ų | 64 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -34.4 | -178.5 | 28 | -36.1 | 0 | 0 | 0 | 114.4 | L261 Q267 L268 | L261-P265 HydrophobicContact CB-CG 3.75Å; L261-P265 HydrophobicContact CD2-CG 3.83Å; L261-P265 HydrophobicContact CG-CG 3.66Å; L261-P265 WeakPolarHBondContact O-CD 3.26Å; P265-Q267 VanDerWaalsContact C-N 3.34Å; P265-Q267 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-CB 3.23Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-N 3.1Å |
| 266 | L | 70.3 | Confident | 78.4 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -72.1 | -30.1 | -169.5 | -156.7 | 72.4 | 0 | 0 | 0 | 112.9 | L262 L268 I269 | L262-L266 HydrophobicContact CD2-CD2 4.11Å; L266-L268 PolarHBondContact O-N 3.5Å; L266-I269 HydrophobicContact CD1-CD1 3.85Å; L266-I269 PolarHBondContact O-N 3.38Å |
| 267 | Q | 71.5 | Confident | 78.7 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -67.5 | -16 | 174.1 | -62.6 | -176.2 | 8.1 | 0 | 0 | 112.8 | R124 P265 I269 | R124-Q267 VanDerWaalsContact CB-O 3.26Å; R124-Q267 WeakPolarHBondContact CB-O 3.4Å; R124-Q267 WeakPolarHBondContact CD-O 3.11Å; R124-Q267 VanDerWaalsContact CG-O 3.29Å; R124-Q267 WeakPolarHBondContact CG-O 3.05Å; P265-Q267 VanDerWaalsContact C-N 3.34Å; P265-Q267 PolarHBondContact O-N 3.16Å; Q267-I269 VanDerWaalsContact C-N 3.28Å |
| 268 | L | 76.7 | Confident | 79.2 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -73.2 | -24.9 | 177.9 | -162.3 | 65 | 0 | 0 | 0 | 112.1 | T110 S114 P265 L266 P270 | T110-L268 HydrophobicContact CG2-CG 4.35Å; S114-L268 VanDerWaalsContact OG-CD1 3.3Å; S114-L268 WeakPolarHBondContact OG-CD1 3.42Å; P265-L268 VanDerWaalsContact O-CB 3.23Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-L268 VanDerWaalsContact O-N 3.1Å; L266-L268 PolarHBondContact O-N 3.5Å; L268-P270 WeakPolarHBondContact O-CD 3.26Å |
| 269 | I | 83 | Confident | 80 | Confident | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -72 | 116.8 | -175.5 | -56.9 | 176.8 | 0 | 0 | 0 | 109.1 | T110 L266 Q267 V273 L274 | T110-I269 HydrophobicContact CG2-CG1 4.23Å; L266-I269 HydrophobicContact CD1-CD1 3.85Å; L266-I269 PolarHBondContact O-N 3.38Å; Q267-I269 VanDerWaalsContact C-N 3.28Å; I269-V273 HydrophobicContact CG2-CB 4.48Å; I269-V273 HydrophobicContact CG2-CG1 4.35Å; I269-L274 HydrophobicContact CG2-CD2 4.15Å; I269-L274 HydrophobicContact CG2-CG 4.12Å |
| 270 | P | 85.3 | Confident | 80.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 140.8 | 173.6 | -26.1 | 37.8 | 0 | 0 | 0 | 111.2 | L69 I122 L268 S272 V273 | L69-P270 HydrophobicContact CD1-CB 4.26Å; L69-P270 HydrophobicContact CD1-CG 4.25Å; I122-P270 HydrophobicContact CG2-CB 3.66Å; I122-P270 HydrophobicContact CG2-CG 4.12Å; L268-P270 WeakPolarHBondContact O-CD 3.26Å; P270-S272 WeakPolarHBondContact CB-OG 3.35Å; P270-S272 PolarHBondContact O-N 3.07Å; P270-V273 HydrophobicContact CB-CB 4.41Å; P270-V273 HydrophobicContact CB-CG2 4.02Å; P270-V273 HydrophobicContact CG-CG2 4.02Å; P270-V273 WeakPolarHBondContact O-CB 3.28Å; P270-V273 PolarHBondContact O-N 3.39Å; P270-V273 VanDerWaalsContact O-N 3.1Å |
| 271 | R | 86.6 | Confident | 81.7 | Confident | 128 Ų | 128 | 48.3 Ų | 48.3 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -34.3 | 171.3 | -172.6 | 178.5 | -179.5 | 176.1 | 3.2 | 112.5 | E123 V273 L274 D275 | E123-R271 PolarHBondContact O-N 2.92Å; R271-V273 VanDerWaalsContact C-N 3.27Å; R271-V273 PolarHBondContact O-N 3.28Å; R271-L274 WeakPolarHBondContact O-CB 3.35Å; R271-L274 PolarHBondContact O-N 2.89Å; R271-L274 VanDerWaalsContact O-N 3.1Å; R271-D275 PolarHBondContact O-N 2.89Å; R271-D275 VanDerWaalsContact O-N 3.13Å |
| 272 | S | 90.6 | Very high | 82.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -34.3 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 114 | L69 M70 P270 G276 | L69-S272 WeakPolarHBondContact CB-OG 3.32Å; L69-S272 WeakPolarHBondContact CD1-OG 3.33Å; M70-S272 WeakPolarHBondContact CA-O 3.44Å; P270-S272 WeakPolarHBondContact CB-OG 3.35Å; P270-S272 PolarHBondContact O-N 3.07Å; S272-G276 PolarHBondContact O-N 2.47Å; S272-G276 VanDerWaalsContact O-N 3.14Å |
| 273 | V | 92.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.4 | -35.8 | 177.6 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | L69 T73 V106 M109 I269 P270 R271 G276 L277 | L69-V273 HydrophobicContact CB-CG2 4.27Å; T73-V273 HydrophobicContact CG2-CB 4.07Å; T73-V273 HydrophobicContact CG2-CG1 3.72Å; T73-V273 HydrophobicContact CG2-CG2 4Å; V106-V273 HydrophobicContact CB-CG1 4.14Å; V106-V273 HydrophobicContact CG1-CG1 3.78Å; V106-V273 HydrophobicContact CG2-CG1 4.16Å; M109-V273 HydrophobicContact CB-CG2 3.97Å; I269-V273 HydrophobicContact CG2-CB 4.48Å; I269-V273 HydrophobicContact CG2-CG1 4.35Å; P270-V273 HydrophobicContact CB-CB 4.41Å; P270-V273 HydrophobicContact CB-CG2 4.02Å; P270-V273 HydrophobicContact CG-CG2 4.02Å; P270-V273 WeakPolarHBondContact O-CB 3.28Å; P270-V273 PolarHBondContact O-N 3.39Å; P270-V273 VanDerWaalsContact O-N 3.1Å; R271-V273 VanDerWaalsContact C-N 3.27Å; R271-V273 PolarHBondContact O-N 3.28Å; V273-G276 PolarHBondContact O-N 3.48Å; V273-L277 PolarHBondContact O-N 2.88Å |
| 274 | L | 90.3 | Very high | 85.2 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 176.5 | -63.8 | 173.1 | 0 | 0 | 0 | 111.9 | I269 R271 G276 L277 F278 | I269-L274 HydrophobicContact CG2-CD2 4.15Å; I269-L274 HydrophobicContact CG2-CG 4.12Å; R271-L274 WeakPolarHBondContact O-CB 3.35Å; R271-L274 PolarHBondContact O-N 2.89Å; R271-L274 VanDerWaalsContact O-N 3.1Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-L277 HydrophobicContact CD2-CD2 4.2Å; L274-L277 VanDerWaalsContact O-CB 3.27Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.31Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å; L274-F278 PolarHBondContact O-N 3.18Å |
| 275 | D | 92.4 | Very high | 86.1 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 174.9 | -71.7 | -3.3 | 0 | 0 | 0 | 111.9 | S18 A21 Y66 M70 R271 L277 F278 L279 | S18-D275 PolarHBondContact OG-O 2.83Å; A21-D275 WeakPolarHBondContact CB-OD2 3.31Å; Y66-D275 PolarHBondContact OH-OD2 3.36Å; M70-D275 HydrophobicContact CG-CB 4.17Å; M70-D275 HydrophobicContact SD-CB 4.42Å; R271-D275 PolarHBondContact O-N 2.89Å; R271-D275 VanDerWaalsContact O-N 3.13Å; D275-L277 VanDerWaalsContact C-N 3.3Å; D275-L277 PolarHBondContact O-N 2.82Å; D275-F278 WeakPolarHBondContact O-CB 3.41Å; D275-F278 PolarHBondContact O-N 3.47Å; D275-F278 VanDerWaalsContact O-N 3.15Å; D275-L279 PolarHBondContact O-N 3.38Å |
| 276 | G | 93.7 | Very high | 87 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M70 T73 S272 V273 L274 L279 Y280 | M70-G276 WeakPolarHBondContact O-CA 3.15Å; T73-G276 VanDerWaalsContact OG1-CA 3.28Å; T73-G276 WeakPolarHBondContact OG1-CA 3.4Å; S272-G276 PolarHBondContact O-N 2.47Å; S272-G276 VanDerWaalsContact O-N 3.14Å; V273-G276 PolarHBondContact O-N 3.48Å; L274-G276 VanDerWaalsContact C-N 3.34Å; G276-L279 PolarHBondContact O-N 2.82Å; G276-Y280 PolarHBondContact O-N 3.31Å |
| 277 | L | 91.8 | Very high | 87.5 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 166.8 | 154.8 | 68.3 | 0 | 0 | 0 | 111.5 | L102 V106 V273 L274 D275 L279 Y280 M281 | L102-L277 HydrophobicContact CD1-CD1 3.21Å; L102-L277 HydrophobicContact CD1-CG 4.44Å; L102-L277 HydrophobicContact CD2-CD1 3.47Å; L102-L277 VanDerWaalsContact CD2-CD1 3.47Å; L102-L277 HydrophobicContact CG-CD1 3.64Å; V106-L277 HydrophobicContact CG2-CB 4.41Å; V273-L277 PolarHBondContact O-N 2.88Å; L274-L277 HydrophobicContact CD2-CD2 4.2Å; L274-L277 VanDerWaalsContact O-CB 3.27Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.31Å; D275-L277 VanDerWaalsContact C-N 3.3Å; D275-L277 PolarHBondContact O-N 2.82Å; L277-L279 PolarHBondContact O-N 3.46Å; L277-Y280 PolarHBondContact O-N 3.44Å; L277-M281 HydrophobicContact CD1-CE 4.18Å; L277-M281 HydrophobicContact CD1-CG 4.06Å; L277-M281 HydrophobicContact CD1-SD 4.15Å; L277-M281 HydrophobicContact CG-CE 4.21Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 2.92Å |
| 278 | F | 91.8 | Very high | 87.6 | Confident | 78 Ų | 78 | 35.5 Ų | 35.5 | 34% | 0.342 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175 | -66.1 | -40.6 | 0 | 0 | 0 | 112.2 | F14 S18 L274 D275 Y280 M281 A282 | F14-F278 HydrophobicContact CB-CB 4.48Å; S18-F278 WeakPolarHBondContact OG-CB 3.08Å; L274-F278 WeakPolarHBondContact O-CD2 3.48Å; L274-F278 PolarHBondContact O-N 3.18Å; D275-F278 WeakPolarHBondContact O-CB 3.41Å; D275-F278 PolarHBondContact O-N 3.47Å; D275-F278 VanDerWaalsContact O-N 3.15Å; F278-Y280 PolarHBondContact O-N 2.95Å; F278-M281 HydrophobicContact CD1-CE 3.41Å; F278-M281 VanDerWaalsContact CD1-CE 3.41Å; F278-M281 HydrophobicContact CE1-CE 3.91Å; F278-M281 PolarHBondContact O-N 3.45Å; F278-A282 PolarHBondContact O-N 2.84Å |
| 279 | L | 93.4 | Very high | 88 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.2 | -70.9 | 176.4 | 0 | 0 | 0 | 112.5 | V15 M70 L74 D275 G276 L277 A282 A283 | V15-L279 HydrophobicContact CB-CD2 4.23Å; V15-L279 HydrophobicContact CG1-CD2 4.2Å; V15-L279 HydrophobicContact CG2-CD2 3.97Å; M70-L279 HydrophobicContact CE-CD1 3.85Å; M70-L279 HydrophobicContact CG-CD1 3.87Å; M70-L279 HydrophobicContact SD-CD1 3.85Å; L74-L279 HydrophobicContact CD1-CB 4.16Å; L74-L279 HydrophobicContact CD2-CB 4.36Å; D275-L279 PolarHBondContact O-N 3.38Å; G276-L279 PolarHBondContact O-N 2.82Å; L277-L279 PolarHBondContact O-N 3.46Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.84Å; L279-A283 PolarHBondContact O-N 3.35Å |
| 280 | Y | 91.7 | Very high | 88 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.4 | 176.2 | -92.6 | 0 | 0 | 0 | 111.7 | G77 L102 G276 L277 F278 A282 A283 T284 | G77-Y280 VanDerWaalsContact C-CE2 3.41Å; L102-Y280 HydrophobicContact CB-CE1 4.19Å; L102-Y280 HydrophobicContact CD1-CD1 3.45Å; L102-Y280 VanDerWaalsContact CD1-CD1 3.45Å; L102-Y280 HydrophobicContact CD1-CE1 3.9Å; L102-Y280 HydrophobicContact CD1-CG 4.11Å; L102-Y280 HydrophobicContact CG-CD1 4.41Å; L102-Y280 HydrophobicContact CG-CE1 4.47Å; G276-Y280 PolarHBondContact O-N 3.31Å; L277-Y280 PolarHBondContact O-N 3.44Å; F278-Y280 PolarHBondContact O-N 2.95Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 3.49Å; Y280-A283 PolarHBondContact O-N 3.5Å; Y280-T284 HydrophobicContact CD1-CG2 4.1Å; Y280-T284 HydrophobicContact CD2-CG2 4.36Å; Y280-T284 HydrophobicContact CE1-CG2 3.61Å; Y280-T284 HydrophobicContact CE2-CG2 3.88Å; Y280-T284 HydrophobicContact CG-CG2 4.46Å; Y280-T284 VanDerWaalsContact CZ-CG2 3.49Å; Y280-T284 WeakPolarHBondContact O-CG2 3.45Å; Y280-T284 PolarHBondContact O-N 2.98Å; Y280-T284 PolarHBondContact O-OG1 3.35Å |
| 281 | M | 89.5 | Confident | 88.1 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.6 | -71.5 | -166.6 | -61.6 | 0 | 0 | 112 | P212 L277 F278 T284 S285 | P212-M281 HydrophobicContact CG-CB 4.03Å; P212-M281 HydrophobicContact CG-SD 4.25Å; L277-M281 HydrophobicContact CD1-CE 4.18Å; L277-M281 HydrophobicContact CD1-CG 4.06Å; L277-M281 HydrophobicContact CD1-SD 4.15Å; L277-M281 HydrophobicContact CG-CE 4.21Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 2.92Å; F278-M281 HydrophobicContact CD1-CE 3.41Å; F278-M281 VanDerWaalsContact CD1-CE 3.41Å; F278-M281 HydrophobicContact CE1-CE 3.91Å; F278-M281 PolarHBondContact O-N 3.45Å; M281-T284 WeakPolarHBondContact CA-OG1 3.48Å; M281-T284 PolarHBondContact O-OG1 3.49Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; M281-S285 WeakPolarHBondContact O-CB 3.33Å; M281-S285 PolarHBondContact O-N 2.97Å; M281-S285 PolarHBondContact O-OG 3.36Å |
| 282 | A | 91.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A11 F14 V15 F278 L279 Y280 T284 S285 L286 | A11-A282 HydrophobicContact CB-CB 4.37Å; A11-A282 WeakPolarHBondContact O-CB 3.46Å; F14-A282 HydrophobicContact CB-CB 4.04Å; V15-A282 HydrophobicContact CG2-CB 3.69Å; F278-A282 PolarHBondContact O-N 2.84Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.84Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 3.49Å; A282-T284 PolarHBondContact O-N 3.39Å; A282-S285 PolarHBondContact O-N 3.38Å; A282-S285 PolarHBondContact O-OG 2.94Å; A282-L286 PolarHBondContact O-N 3.38Å |
| 283 | A | 89.7 | Confident | 88 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L279 Y280 S285 L286 | L279-A283 PolarHBondContact O-N 3.35Å; Y280-A283 PolarHBondContact O-N 3.5Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.15Å; A283-L286 PolarHBondContact O-N 3.18Å |
| 284 | T | 85.1 | Confident | 87.8 | Confident | 26 Ų | 26 | 34.2 Ų | 34.2 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.1 | -30.4 | 177 | 53.8 | 0 | 0 | 0 | 0 | 113 | Y280 M281 A282 L286 N287 | Y280-T284 HydrophobicContact CD1-CG2 4.1Å; Y280-T284 HydrophobicContact CD2-CG2 4.36Å; Y280-T284 HydrophobicContact CE1-CG2 3.61Å; Y280-T284 HydrophobicContact CE2-CG2 3.88Å; Y280-T284 HydrophobicContact CG-CG2 4.46Å; Y280-T284 VanDerWaalsContact CZ-CG2 3.49Å; Y280-T284 WeakPolarHBondContact O-CG2 3.45Å; Y280-T284 PolarHBondContact O-N 2.98Å; Y280-T284 PolarHBondContact O-OG1 3.35Å; M281-T284 WeakPolarHBondContact CA-OG1 3.48Å; M281-T284 PolarHBondContact O-OG1 3.49Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; A282-T284 PolarHBondContact O-N 3.39Å; T284-L286 VanDerWaalsContact C-N 3.3Å; T284-L286 PolarHBondContact O-N 3.29Å; T284-N287 PolarHBondContact O-N 2.86Å |
| 285 | S | 84.3 | Confident | 87.8 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.2 | -22.1 | 175.7 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | A11 M281 A282 A283 | A11-S285 VanDerWaalsContact CB-OG 3.27Å; A11-S285 WeakPolarHBondContact CB-OG 3.39Å; M281-S285 WeakPolarHBondContact O-CB 3.33Å; M281-S285 PolarHBondContact O-N 2.97Å; M281-S285 PolarHBondContact O-OG 3.36Å; A282-S285 PolarHBondContact O-N 3.38Å; A282-S285 PolarHBondContact O-OG 2.94Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.15Å |
| 286 | L | 86.5 | Confident | 87.6 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.7 | -31.5 | 172.5 | -63.6 | 175.3 | 0 | 0 | 0 | 111.5 | I8 A11 A282 A283 T284 G288 N289 F292 | I8-L286 HydrophobicContact CG1-CD2 4Å; A11-L286 HydrophobicContact CB-CD2 3.83Å; A11-L286 HydrophobicContact CB-CG 4.17Å; A282-L286 PolarHBondContact O-N 3.38Å; A283-L286 PolarHBondContact O-N 3.18Å; T284-L286 VanDerWaalsContact C-N 3.3Å; T284-L286 PolarHBondContact O-N 3.29Å; L286-G288 PolarHBondContact O-N 3.36Å; L286-N289 PolarHBondContact O-N 3.01Å; L286-F292 HydrophobicContact CB-CD1 4.17Å; L286-F292 HydrophobicContact CB-CD2 4.39Å; L286-F292 HydrophobicContact CB-CE1 4.35Å; L286-F292 HydrophobicContact CB-CG 4.19Å; L286-F292 HydrophobicContact CD1-CD2 4.46Å; L286-F292 HydrophobicContact CD1-CE2 4.13Å; L286-F292 HydrophobicContact CD1-CZ 4.42Å; L286-F292 HydrophobicContact CD2-CD2 4.05Å; L286-F292 HydrophobicContact CD2-CG 4.39Å |
| 287 | N | 79.9 | Confident | 87.3 | Confident | 88 Ų | 88 | 39.3 Ų | 39.3 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 108.1 | 179.4 | -71.4 | -30.4 | 0 | 0 | 0 | 110.8 | T284 | T284-N287 PolarHBondContact O-N 2.86Š|
| 288 | G | 74.7 | Confident | 87 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 62% | 0.619 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | 4.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | L286 | L286-G288 PolarHBondContact O-N 3.36Š|
| 289 | N | 83.2 | Confident | 86.8 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | trans | -87 | 113.4 | 171.1 | -169.5 | -43.2 | 0 | 0 | 0 | 110.4 | E4 S7 I8 L286 M291 F292 E293 | E4-N289 WeakPolarHBondContact CB-OD1 3.5Å; E4-N289 PolarHBondContact O-ND2 3.18Å; S7-N289 WeakPolarHBondContact CB-ND2 3.31Å; S7-N289 PolarHBondContact OG-ND2 3.42Å; S7-N289 VanDerWaalsContact OG-ND2 3.16Å; I8-N289 WeakPolarHBondContact CG1-ND2 3.43Å; L286-N289 PolarHBondContact O-N 3.01Å; N289-M291 PolarHBondContact O-N 3.29Å; N289-M291 WeakPolarHBondContact OD1-CB 3.45Å; N289-M291 PolarHBondContact OD1-N 3.46Å; N289-F292 HydrophobicContact CB-CB 4.13Å; N289-F292 WeakPolarHBondContact O-CA 3.23Å; N289-F292 WeakPolarHBondContact O-CB 3.38Å; N289-F292 PolarHBondContact O-N 2.88Å; N289-E293 PolarHBondContact O-N 3.47Å; N289-E293 VanDerWaalsContact O-N 3.09Å | ||
| 290 | E | 84.1 | Confident | 86.5 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.4 | -36.9 | 179.2 | -66.4 | -75 | 165.7 | 0 | 0 | 113 | E4 E293 R294 | E4-E290 HydrophobicContact CG-CB 4.35Å; E290-E293 PolarHBondContact O-N 3.45Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.05Å |
| 291 | M | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 176.7 | 176.8 | -179.6 | 140.9 | 0 | 0 | 111.6 | E4 I5 I8 N289 R294 I295 Q326 L330 | E4-M291 HydrophobicContact CB-CB 3.73Å; E4-M291 HydrophobicContact CG-CB 4.48Å; I5-M291 HydrophobicContact CB-SD 4.22Å; I5-M291 HydrophobicContact CG1-CE 4.5Å; I5-M291 HydrophobicContact CG1-SD 3.54Å; I5-M291 VanDerWaalsContact CG1-SD 3.54Å; I8-M291 HydrophobicContact CB-CE 4.35Å; I8-M291 HydrophobicContact CD1-CB 3.64Å; I8-M291 HydrophobicContact CD1-CE 3.58Å; I8-M291 HydrophobicContact CD1-CG 3.58Å; I8-M291 HydrophobicContact CD1-SD 3.73Å; I8-M291 HydrophobicContact CG2-CE 4.3Å; N289-M291 PolarHBondContact O-N 3.29Å; N289-M291 WeakPolarHBondContact OD1-CB 3.45Å; N289-M291 PolarHBondContact OD1-N 3.46Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-I295 HydrophobicContact CE-CD1 3.76Å; M291-I295 HydrophobicContact CG-CD1 4.04Å; M291-I295 VanDerWaalsContact O-CG1 3.28Å; M291-I295 WeakPolarHBondContact O-CG1 3.33Å; M291-I295 PolarHBondContact O-N 3.35Å; M291-Q326 HydrophobicContact SD-CB 4.13Å; M291-L330 HydrophobicContact CE-CB 4.03Å; M291-L330 HydrophobicContact CE-CD2 3.61Å; M291-L330 HydrophobicContact CE-CG 4.25Å |
| 292 | F | 88.4 | Confident | 86 | Confident | 72 Ų | 72 | 57.2 Ų | 57.2 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.8 | -177.5 | -105.5 | 0 | 0 | 0 | 111 | I8 L286 N289 R294 I295 M296 | I8-F292 HydrophobicContact CD1-CB 4.05Å; L286-F292 HydrophobicContact CB-CD1 4.17Å; L286-F292 HydrophobicContact CB-CD2 4.39Å; L286-F292 HydrophobicContact CB-CE1 4.35Å; L286-F292 HydrophobicContact CB-CG 4.19Å; L286-F292 HydrophobicContact CD1-CD2 4.46Å; L286-F292 HydrophobicContact CD1-CE2 4.13Å; L286-F292 HydrophobicContact CD1-CZ 4.42Å; L286-F292 HydrophobicContact CD2-CD2 4.05Å; L286-F292 HydrophobicContact CD2-CG 4.39Å; N289-F292 HydrophobicContact CB-CB 4.13Å; N289-F292 WeakPolarHBondContact O-CA 3.23Å; N289-F292 WeakPolarHBondContact O-CB 3.38Å; N289-F292 PolarHBondContact O-N 2.88Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.02Å; F292-I295 PolarHBondContact O-N 2.94Å; F292-M296 PolarHBondContact O-N 3.47Å |
| 293 | E | 85.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 172.3 | -64.9 | -169.7 | -178.3 | 0 | 0 | 111.3 | N289 E290 I295 M296 L297 | N289-E293 PolarHBondContact O-N 3.47Å; N289-E293 VanDerWaalsContact O-N 3.09Å; E290-E293 PolarHBondContact O-N 3.45Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.08Å; E293-M296 WeakPolarHBondContact O-CB 3.27Å; E293-M296 PolarHBondContact O-N 3.38Å; E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å |
| 294 | R | 88 | Confident | 85.2 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 175.1 | -70.6 | -174.2 | -56.1 | -125.8 | -7.6 | 113.6 | E4 E290 M291 F292 L297 L298 T323 Q326 | E4-R294 IonicContact OE2-CZ 3.26Å; E4-R294 IonicContact OE2-NH1 2.69Å; E4-R294 IonicContact OE2-NH2 3.72Å; E4-R294 PolarHBondContact OE2-NH2 3.23Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.05Å; M291-R294 PolarHBondContact O-N 3.34Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.02Å; R294-L297 PolarHBondContact O-N 3.04Å; R294-L298 PolarHBondContact O-N 2.97Å; R294-T323 HydrophobicContact CB-CG2 4.04Å; R294-Q326 VanDerWaalsContact NH2-CD 3.31Å |
| 295 | I | 90.5 | Very high | 84.9 | Confident | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 172.6 | -70.2 | 164.8 | 0 | 0 | 0 | 109.9 | I8 M291 F292 E293 L297 L298 T323 | I8-I295 HydrophobicContact CD1-CD1 4.41Å; M291-I295 HydrophobicContact CE-CD1 3.76Å; M291-I295 HydrophobicContact CG-CD1 4.04Å; M291-I295 VanDerWaalsContact O-CG1 3.28Å; M291-I295 WeakPolarHBondContact O-CG1 3.33Å; M291-I295 PolarHBondContact O-N 3.35Å; F292-I295 PolarHBondContact O-N 2.94Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.08Å; I295-L297 VanDerWaalsContact C-N 3.27Å; I295-L297 PolarHBondContact O-N 3.11Å; I295-L298 WeakPolarHBondContact O-CB 3.35Å; I295-L298 PolarHBondContact O-N 2.92Å; I295-L298 VanDerWaalsContact O-N 3.1Å; I295-T323 HydrophobicContact CG1-CG2 3.87Å |
| 296 | M | 88.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 58% | 0.576 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.1 | -35.7 | 175.4 | -170.9 | 172.7 | 178.5 | 0 | 0 | 111.7 | F292 E293 L298 L299 T300 | F292-M296 PolarHBondContact O-N 3.47Å; E293-M296 WeakPolarHBondContact O-CB 3.27Å; E293-M296 PolarHBondContact O-N 3.38Å; M296-L298 VanDerWaalsContact C-N 3.29Å; M296-L298 PolarHBondContact O-N 2.98Å; M296-L299 PolarHBondContact O-N 3.2Å; M296-L299 VanDerWaalsContact O-N 3.08Å; M296-T300 PolarHBondContact O-N 3.39Å; M296-T300 PolarHBondContact O-OG1 2.91Å |
| 297 | L | 86.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -29.4 | 174 | -68.8 | 173.9 | 0 | 0 | 0 | 113.3 | E293 R294 I295 L299 T300 Y305 P306 I311 | E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å; R294-L297 PolarHBondContact O-N 3.04Å; I295-L297 VanDerWaalsContact C-N 3.27Å; I295-L297 PolarHBondContact O-N 3.11Å; L297-L299 PolarHBondContact O-N 3.27Å; L297-T300 PolarHBondContact O-N 3.48Å; L297-Y305 HydrophobicContact CB-CE1 4.37Å; L297-Y305 HydrophobicContact CD2-CD1 4.17Å; L297-Y305 HydrophobicContact CD2-CD2 4.43Å; L297-Y305 HydrophobicContact CD2-CE1 4.19Å; L297-Y305 HydrophobicContact CD2-CE2 4.44Å; L297-Y305 HydrophobicContact CD2-CG 4.29Å; L297-Y305 PolarHBondContact O-OH 3.31Å; L297-P306 HydrophobicContact CD2-CG 4.39Å; L297-I311 HydrophobicContact CD1-CD1 3.87Å; L297-I311 HydrophobicContact CD2-CD1 4.39Å |
| 298 | L | 86.9 | Confident | 83.3 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 173.1 | -74.8 | 163.7 | 0 | 0 | 0 | 112.2 | R294 I295 M296 H320 T323 | R294-L298 PolarHBondContact O-N 2.97Å; I295-L298 WeakPolarHBondContact O-CB 3.35Å; I295-L298 PolarHBondContact O-N 2.92Å; I295-L298 VanDerWaalsContact O-N 3.1Å; M296-L298 VanDerWaalsContact C-N 3.29Å; M296-L298 PolarHBondContact O-N 2.98Å; L298-H320 HydrophobicContact CD2-CB 3.91Å; L298-H320 WeakPolarHBondContact CD2-ND1 3.41Å; L298-T323 HydrophobicContact CD1-CG2 3.59Å; L298-T323 HydrophobicContact CG-CG2 4.34Å |
| 299 | L | 87.6 | Confident | 82.9 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 82% | 0.817 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -94.6 | -14.7 | 179.7 | -61.5 | 174.6 | 0 | 0 | 0 | 112.9 | M296 L297 | M296-L299 PolarHBondContact O-N 3.2Å; M296-L299 VanDerWaalsContact O-N 3.08Å; L297-L299 PolarHBondContact O-N 3.27Å |
| 300 | T | 86.9 | Confident | 82.3 | Confident | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -82.3 | 139.3 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | M296 L297 A304 Y305 | M296-T300 PolarHBondContact O-N 3.39Å; M296-T300 PolarHBondContact O-OG1 2.91Å; L297-T300 PolarHBondContact O-N 3.48Å; T300-A304 HydrophobicContact CG2-CB 3.84Å; T300-Y305 HydrophobicContact CG2-CD2 4.37Å; T300-Y305 HydrophobicContact CG2-CE2 4.47Å; T300-Y305 WeakPolarHBondContact O-CE2 3.44Å |
| 301 | E | 86.8 | Confident | 81.8 | Confident | 150 Ų | 150 | 61.7 Ų | 61.7 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | trans | -63.6 | 141.2 | 173.8 | -174.7 | 178.1 | -177.2 | 0 | 0 | 111.1 | A303 A304 Y305 | E301-A303 HydrophobicContact CG-CB 4.5Å; E301-A303 PolarHBondContact O-N 3.37Å; E301-A303 VanDerWaalsContact O-N 3.08Å; E301-A304 PolarHBondContact O-N 2.95Å; E301-Y305 VanDerWaalsContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CD2 3.36Å | ||
| 302 | Q | 82.4 | Confident | 81 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -55.1 | -31.9 | -176.1 | -68.2 | -179.3 | -20.8 | 0 | 0 | 113.9 | A304 | Q302-A304 VanDerWaalsContact C-N 3.29Å; Q302-A304 PolarHBondContact O-N 3.11Å |
| 303 | A | 82.4 | Confident | 80.4 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 76% | 0.76 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -70.9 | -23.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E301 | E301-A303 HydrophobicContact CG-CB 4.5Å; E301-A303 PolarHBondContact O-N 3.37Å; E301-A303 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 82.7 | Confident | 80.1 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -95.5 | 11.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T300 E301 Q302 | T300-A304 HydrophobicContact CG2-CB 3.84Å; E301-A304 PolarHBondContact O-N 2.95Å; Q302-A304 VanDerWaalsContact C-N 3.29Å; Q302-A304 PolarHBondContact O-N 3.11Å |
| 305 | Y | 79.4 | Confident | 79.9 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 13% | 0.129 | 37% | 0.37 | C | S | . | . | trans | -65.9 | 127.5 | 179.4 | -87.3 | -133 | 0 | 0 | 0 | 109.9 | L297 T300 E301 I311 H320 | L297-Y305 HydrophobicContact CB-CE1 4.37Å; L297-Y305 HydrophobicContact CD2-CD1 4.17Å; L297-Y305 HydrophobicContact CD2-CD2 4.43Å; L297-Y305 HydrophobicContact CD2-CE1 4.19Å; L297-Y305 HydrophobicContact CD2-CE2 4.44Å; L297-Y305 HydrophobicContact CD2-CG 4.29Å; L297-Y305 PolarHBondContact O-OH 3.31Å; T300-Y305 HydrophobicContact CG2-CD2 4.37Å; T300-Y305 HydrophobicContact CG2-CE2 4.47Å; T300-Y305 WeakPolarHBondContact O-CE2 3.44Å; E301-Y305 VanDerWaalsContact O-CD2 3.3Å; E301-Y305 WeakPolarHBondContact O-CD2 3.36Å; Y305-I311 HydrophobicContact CD1-CD1 4.09Å; Y305-I311 HydrophobicContact CD1-CG2 3.99Å; Y305-H320 PolarHBondContact OH-CE1 3.38Å; Y305-H320 PolarHBondContact OH-NE2 3.12Å | ||
| 306 | P | 75.3 | Confident | 79.5 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | trans | -63.8 | 142.3 | 175.7 | 27.5 | -33 | 0 | 0 | 0 | 109.1 | L297 T308 I311 | L297-P306 HydrophobicContact CD2-CG 4.39Å; P306-T308 HydrophobicContact CB-CG2 4.09Å; P306-T308 HydrophobicContact CG-CG2 4.05Å; P306-T308 PolarHBondContact O-N 3.2Å; P306-I311 HydrophobicContact CG-CD1 4.16Å; P306-I311 WeakPolarHBondContact O-CD1 3.5Å | ||
| 307 | P | 69.3 | Low | 79.3 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 29% | 0.286 | 39% | 0.389 | S | S | . | . | trans | -72.3 | 58.7 | 174.6 | 31.8 | -37.2 | 0 | 0 | 0 | 111.5 | Q230 H232 | Q230-P307 HydrophobicContact CB-CG 4.33Å; Q230-P307 PolarHBondContact OE1-O 3.26Å; H232-P307 VanDerWaalsContact CD2-CD 3.48Å; H232-P307 WeakPolarHBondContact CD2-CD 3.3Å; H232-P307 WeakPolarHBondContact NE2-CD 3.39Å | ||
| 308 | T | 71.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | trans | -76.8 | 156.7 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 111 | P306 Y310 I311 R312 | P306-T308 HydrophobicContact CB-CG2 4.09Å; P306-T308 HydrophobicContact CG-CG2 4.05Å; P306-T308 PolarHBondContact O-N 3.2Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-Y310 HydrophobicContact CG2-CE1 4.07Å; T308-Y310 PolarHBondContact O-N 2.61Å; T308-Y310 WeakPolarHBondContact OG1-CE1 3.44Å; T308-I311 PolarHBondContact O-N 3.45Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.48Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.49Å; T308-R312 PolarHBondContact O-N 3.25Å | ||
| 309 | H | 66.5 | Low | 79.2 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -37.4 | -175.1 | 175.1 | -86.8 | 0 | 0 | 0 | 113.5 | R313 | H309-R313 PolarHBondContact CE1-NE 2.98Å; H309-R313 PolarHBondContact CE1-NH1 3.41Å; H309-R313 PolarHBondContact CE1-NH2 2.85Å; H309-R313 VanDerWaalsContact CE1-NH2 3.33Å; H309-R313 PolarHBondContact NE2-NH2 3.45Å |
| 310 | Y | 72 | Confident | 79.3 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -36.4 | -178.8 | 61.1 | -91.2 | 0 | 0 | 0 | 112.8 | T308 R312 R313 V314 A374 L375 | T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-Y310 HydrophobicContact CG2-CE1 4.07Å; T308-Y310 PolarHBondContact O-N 2.61Å; T308-Y310 WeakPolarHBondContact OG1-CE1 3.44Å; Y310-R312 PolarHBondContact O-N 3.24Å; Y310-R313 PolarHBondContact O-N 3.14Å; Y310-V314 PolarHBondContact O-N 3.4Å; Y310-V314 VanDerWaalsContact O-N 3.13Å; Y310-A374 WeakPolarHBondContact CB-O 3.37Å; Y310-L375 HydrophobicContact CD2-CD2 4.42Å |
| 311 | I | 71.9 | Confident | 79.3 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -32.6 | 177.9 | -67.2 | 172.8 | 0 | 0 | 0 | 111.1 | L297 Y305 P306 T308 R313 I319 | L297-I311 HydrophobicContact CD1-CD1 3.87Å; L297-I311 HydrophobicContact CD2-CD1 4.39Å; Y305-I311 HydrophobicContact CD1-CD1 4.09Å; Y305-I311 HydrophobicContact CD1-CG2 3.99Å; P306-I311 HydrophobicContact CG-CD1 4.16Å; P306-I311 WeakPolarHBondContact O-CD1 3.5Å; T308-I311 PolarHBondContact O-N 3.45Å; T308-I311 WeakPolarHBondContact OG1-CD1 3.48Å; T308-I311 WeakPolarHBondContact OG1-CG1 3.49Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 2.95Å; I311-I319 HydrophobicContact CG1-CD1 4.49Å |
| 312 | R | 71.5 | Confident | 79.4 | Confident | 168 Ų | 168 | 66.9 Ų | 66.9 | 63% | 0.634 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -22.9 | 177.4 | -69.1 | -177.1 | 178.7 | -170.1 | 1.3 | 114.2 | Q230 T308 Y310 | Q230-R312 VanDerWaalsContact OE1-CZ 3.26Å; T308-R312 PolarHBondContact O-N 3.25Å; Y310-R312 PolarHBondContact O-N 3.24Å |
| 313 | R | 75.2 | Confident | 79.7 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 43% | 0.434 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -27.2 | -171.5 | -70.1 | 177.6 | 172.6 | -162.7 | 1 | 113.5 | H309 Y310 I311 Q379 | H309-R313 PolarHBondContact CE1-NE 2.98Å; H309-R313 PolarHBondContact CE1-NH1 3.41Å; H309-R313 PolarHBondContact CE1-NH2 2.85Å; H309-R313 VanDerWaalsContact CE1-NH2 3.33Å; H309-R313 PolarHBondContact NE2-NH2 3.45Å; Y310-R313 PolarHBondContact O-N 3.14Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 2.95Å; R313-Q379 VanDerWaalsContact NH1-CD 3.31Å |
| 314 | V | 80.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -110 | 131.3 | -174.2 | -171 | 0 | 0 | 0 | 0 | 109.6 | Y310 Q316 K318 I319 Y371 A374 L375 | Y310-V314 PolarHBondContact O-N 3.4Å; Y310-V314 VanDerWaalsContact O-N 3.13Å; V314-Q316 PolarHBondContact O-N 3.24Å; V314-K318 HydrophobicContact CG1-CB 4.06Å; V314-I319 HydrophobicContact CB-CD1 4.12Å; V314-I319 HydrophobicContact CB-CG1 3.93Å; V314-I319 HydrophobicContact CG1-CD1 4.46Å; V314-I319 HydrophobicContact CG1-CG1 3.72Å; V314-Y371 HydrophobicContact CB-CD1 4.14Å; V314-Y371 HydrophobicContact CG1-CD1 3.9Å; V314-Y371 HydrophobicContact CG1-CG 4.1Å; V314-Y371 HydrophobicContact CG2-CD1 3.95Å; V314-A374 HydrophobicContact CG2-CB 4.04Å; V314-L375 HydrophobicContact CG2-CG 4.37Å |
| 315 | P | 83.2 | Confident | 80.4 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | trans | -61.9 | 133.9 | 174 | 25.1 | -33.2 | 0 | 0 | 0 | 110.8 | R317 K318 I319 | P315-R317 PolarHBondContact O-N 2.94Å; P315-R317 VanDerWaalsContact O-N 3.08Å; P315-K318 HydrophobicContact CG-CB 4.18Å; P315-K318 HydrophobicContact CG-CG 3.81Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.01Å; P315-I319 PolarHBondContact O-N 3.16Å | ||
| 316 | Q | 82.4 | Confident | 80.9 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -50.3 | -40.1 | -174 | -68.8 | 175.1 | -20 | 0 | 0 | 113.7 | V314 K318 I319 H320 | V314-Q316 PolarHBondContact O-N 3.24Å; Q316-K318 VanDerWaalsContact C-N 3.26Å; Q316-K318 PolarHBondContact O-N 2.66Å; Q316-I319 WeakPolarHBondContact O-CB 3.43Å; Q316-I319 PolarHBondContact O-N 3.34Å; Q316-I319 VanDerWaalsContact O-N 3.11Å; Q316-H320 PolarHBondContact O-CD2 3.23Å; Q316-H320 PolarHBondContact O-N 3.45Å |
| 317 | R | 85.2 | Confident | 81.7 | Confident | 224 Ų | 224 | 58.8 Ų | 58.8 | 85% | 0.845 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -57.5 | -37.4 | 178 | -69.6 | -174.7 | 177.9 | -178.2 | -0.5 | 113 | P315 L321 | P315-R317 PolarHBondContact O-N 2.94Å; P315-R317 VanDerWaalsContact O-N 3.08Å; R317-L321 WeakPolarHBondContact O-CB 3.38Å; R317-L321 PolarHBondContact O-N 2.88Å |
| 318 | K | 85.7 | Confident | 82.8 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 30% | 0.296 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.1 | -35 | 178.7 | -68 | -67.2 | -167 | 175 | 0 | 111.4 | V314 P315 Q316 F322 L366 I367 | V314-K318 HydrophobicContact CG1-CB 4.06Å; P315-K318 HydrophobicContact CG-CB 4.18Å; P315-K318 HydrophobicContact CG-CG 3.81Å; P315-K318 WeakPolarHBondContact O-CB 3.35Å; P315-K318 PolarHBondContact O-N 3.01Å; Q316-K318 VanDerWaalsContact C-N 3.26Å; Q316-K318 PolarHBondContact O-N 2.66Å; K318-F322 WeakPolarHBondContact O-CB 3.12Å; K318-F322 PolarHBondContact O-N 3.26Å; K318-L366 PolarHBondContact NZ-O 2.8Å; K318-I367 HydrophobicContact CD-CG1 4.44Å |
| 319 | I | 85.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 172.9 | -53.2 | -179 | 0 | 0 | 0 | 109.7 | I311 V314 P315 Q316 L321 F322 T323 L375 | I311-I319 HydrophobicContact CG1-CD1 4.49Å; V314-I319 HydrophobicContact CB-CD1 4.12Å; V314-I319 HydrophobicContact CB-CG1 3.93Å; V314-I319 HydrophobicContact CG1-CD1 4.46Å; V314-I319 HydrophobicContact CG1-CG1 3.72Å; P315-I319 PolarHBondContact O-N 3.16Å; Q316-I319 WeakPolarHBondContact O-CB 3.43Å; Q316-I319 PolarHBondContact O-N 3.34Å; Q316-I319 VanDerWaalsContact O-N 3.11Å; I319-L321 PolarHBondContact O-N 2.87Å; I319-F322 WeakPolarHBondContact O-CB 3.17Å; I319-F322 PolarHBondContact O-N 3.4Å; I319-T323 PolarHBondContact O-N 3.44Å; I319-T323 PolarHBondContact O-OG1 3.39Å; I319-L375 HydrophobicContact CG1-CD2 4.32Å; I319-L375 HydrophobicContact CG2-CD2 4.36Å |
| 320 | H | 88.2 | Confident | 85 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 179.5 | -65.3 | -50.3 | 0 | 0 | 0 | 113 | L298 Y305 Q316 F322 T323 V324 | L298-H320 HydrophobicContact CD2-CB 3.91Å; L298-H320 WeakPolarHBondContact CD2-ND1 3.41Å; Y305-H320 PolarHBondContact OH-CE1 3.38Å; Y305-H320 PolarHBondContact OH-NE2 3.12Å; Q316-H320 PolarHBondContact O-CD2 3.23Å; Q316-H320 PolarHBondContact O-N 3.45Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.37Å; H320-T323 PolarHBondContact O-N 3.16Å; H320-V324 WeakPolarHBondContact O-CB 3.38Å; H320-V324 VanDerWaalsContact O-CG2 3.28Å; H320-V324 WeakPolarHBondContact O-CG2 3.43Å; H320-V324 PolarHBondContact O-N 2.72Å |
| 321 | L | 88.2 | Confident | 86 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 40% | 0.398 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 174.7 | -177.7 | 67.8 | 0 | 0 | 0 | 111.4 | R317 I319 C325 | R317-L321 WeakPolarHBondContact O-CB 3.38Å; R317-L321 PolarHBondContact O-N 2.88Å; I319-L321 PolarHBondContact O-N 2.87Å; L321-C325 WeakPolarHBondContact O-CB 3.23Å; L321-C325 PolarHBondContact O-N 2.9Å; L321-C325 VanDerWaalsContact O-N 3.08Å |
| 322 | F | 87.8 | Confident | 87 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 175.9 | -178.1 | -105.8 | 0 | 0 | 0 | 111.8 | K318 I319 H320 V324 C325 Q326 I363 I367 L372 L375 | K318-F322 WeakPolarHBondContact O-CB 3.12Å; K318-F322 PolarHBondContact O-N 3.26Å; I319-F322 WeakPolarHBondContact O-CB 3.17Å; I319-F322 PolarHBondContact O-N 3.4Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.37Å; F322-V324 VanDerWaalsContact C-N 3.34Å; F322-V324 PolarHBondContact O-N 3.16Å; F322-C325 WeakPolarHBondContact O-CB 3.07Å; F322-C325 PolarHBondContact O-N 2.99Å; F322-C325 VanDerWaalsContact O-N 3.17Å; F322-Q326 HydrophobicContact CD1-CG 4.41Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 HydrophobicContact CZ-CG 4.16Å; F322-Q326 VanDerWaalsContact CZ-NE2 3.34Å; F322-Q326 PolarHBondContact O-N 2.01Å; F322-I363 HydrophobicContact CD2-CG2 4.42Å; F322-I363 HydrophobicContact CE2-CD1 4.19Å; F322-I363 HydrophobicContact CE2-CG2 4.33Å; F322-I367 HydrophobicContact CB-CD1 3.7Å; F322-I367 HydrophobicContact CD2-CD1 3.93Å; F322-I367 HydrophobicContact CG-CD1 4.27Å; F322-L372 HydrophobicContact CD2-CD1 4.23Å; F322-L372 HydrophobicContact CE2-CD1 3.71Å; F322-L372 HydrophobicContact CZ-CD1 4.38Å; F322-L375 HydrophobicContact CB-CD1 4.41Å; F322-L375 HydrophobicContact CD1-CD1 4.28Å; F322-L375 HydrophobicContact CG-CD1 4.24Å |
| 323 | T | 89 | Confident | 87.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 179.7 | -49.7 | 0 | 0 | 0 | 0 | 112 | R294 I295 L298 I319 H320 C325 Q326 L327 | R294-T323 HydrophobicContact CB-CG2 4.04Å; I295-T323 HydrophobicContact CG1-CG2 3.87Å; L298-T323 HydrophobicContact CD1-CG2 3.59Å; L298-T323 HydrophobicContact CG-CG2 4.34Å; I319-T323 PolarHBondContact O-N 3.44Å; I319-T323 PolarHBondContact O-OG1 3.39Å; H320-T323 PolarHBondContact O-N 3.16Å; T323-C325 VanDerWaalsContact C-N 3.34Å; T323-C325 PolarHBondContact O-N 3.03Å; T323-Q326 PolarHBondContact O-N 3.13Å; T323-L327 WeakPolarHBondContact O-CB 3.38Å; T323-L327 PolarHBondContact O-N 3.13Å |
| 324 | V | 90.9 | Very high | 88.6 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 111 | H320 F322 L327 L328 | H320-V324 WeakPolarHBondContact O-CB 3.38Å; H320-V324 VanDerWaalsContact O-CG2 3.28Å; H320-V324 WeakPolarHBondContact O-CG2 3.43Å; H320-V324 PolarHBondContact O-N 2.72Å; F322-V324 VanDerWaalsContact C-N 3.34Å; F322-V324 PolarHBondContact O-N 3.16Å; V324-L327 PolarHBondContact O-N 3.3Å; V324-L328 PolarHBondContact O-N 3.32Å |
| 325 | C | 89.3 | Confident | 89.1 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.4 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | L321 F322 T323 L328 Q329 | L321-C325 WeakPolarHBondContact O-CB 3.23Å; L321-C325 PolarHBondContact O-N 2.9Å; L321-C325 VanDerWaalsContact O-N 3.08Å; F322-C325 WeakPolarHBondContact O-CB 3.07Å; F322-C325 PolarHBondContact O-N 2.99Å; F322-C325 VanDerWaalsContact O-N 3.17Å; T323-C325 VanDerWaalsContact C-N 3.34Å; T323-C325 PolarHBondContact O-N 3.03Å; C325-L328 WeakPolarHBondContact O-CB 3.02Å; C325-L328 PolarHBondContact O-N 3.26Å; C325-Q329 WeakPolarHBondContact O-CG 3.43Å; C325-Q329 PolarHBondContact O-N 2.91Å |
| 326 | Q | 90.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.3 | -69.5 | -173.8 | -41.7 | 0 | 0 | 112.6 | S1 I5 M291 R294 F322 T323 L328 Q329 L330 | S1-Q326 PolarHBondContact OG-NE2 3.45Å; I5-Q326 HydrophobicContact CD1-CB 4.34Å; I5-Q326 HydrophobicContact CD1-CG 4.25Å; I5-Q326 HydrophobicContact CG1-CB 4.4Å; M291-Q326 HydrophobicContact SD-CB 4.13Å; R294-Q326 VanDerWaalsContact NH2-CD 3.31Å; F322-Q326 HydrophobicContact CD1-CG 4.41Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 HydrophobicContact CZ-CG 4.16Å; F322-Q326 VanDerWaalsContact CZ-NE2 3.34Å; F322-Q326 PolarHBondContact O-N 2.01Å; T323-Q326 PolarHBondContact O-N 3.13Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 PolarHBondContact O-N 3.19Å; Q326-Q329 WeakPolarHBondContact O-CB 3.45Å; Q326-Q329 PolarHBondContact O-N 3.03Å; Q326-L330 WeakPolarHBondContact O-CB 3.29Å; Q326-L330 PolarHBondContact O-N 3.17Å |
| 327 | L | 92.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 176.9 | -170.1 | 148.6 | 0 | 0 | 0 | 111.2 | T323 V324 L330 L331 | T323-L327 WeakPolarHBondContact O-CB 3.38Å; T323-L327 PolarHBondContact O-N 3.13Å; V324-L327 PolarHBondContact O-N 3.3Å; L327-L330 PolarHBondContact O-N 3.42Å; L327-L331 WeakPolarHBondContact O-CB 3.17Å; L327-L331 PolarHBondContact O-N 2.87Å |
| 328 | L | 92.1 | Very high | 89.5 | Confident | 107 Ų | 107 | 43.6 Ų | 43.6 | 56% | 0.56 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.8 | -44.3 | 172.5 | -175 | 69.3 | 0 | 0 | 0 | 111.4 | V324 C325 Q326 L331 V332 | V324-L328 PolarHBondContact O-N 3.32Å; C325-L328 WeakPolarHBondContact O-CB 3.02Å; C325-L328 PolarHBondContact O-N 3.26Å; Q326-L328 VanDerWaalsContact C-N 3.31Å; Q326-L328 PolarHBondContact O-N 3.19Å; L328-L331 PolarHBondContact O-N 3.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.19Å; L328-V332 PolarHBondContact O-N 3.09Å |
| 329 | Q | 91.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.2 | -70.1 | 172.4 | -3.4 | 0 | 0 | 111.8 | I5 C325 Q326 L331 V332 L333 F355 | I5-Q329 HydrophobicContact CD1-CB 4.25Å; C325-Q329 WeakPolarHBondContact O-CG 3.43Å; C325-Q329 PolarHBondContact O-N 2.91Å; Q326-Q329 WeakPolarHBondContact O-CB 3.45Å; Q326-Q329 PolarHBondContact O-N 3.03Å; Q329-L331 VanDerWaalsContact C-N 3.35Å; Q329-L331 PolarHBondContact O-N 3.35Å; Q329-V332 PolarHBondContact O-N 3.28Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.3Å; Q329-F355 HydrophobicContact CB-CE1 4.39Å; Q329-F355 HydrophobicContact CB-CE2 4.48Å; Q329-F355 HydrophobicContact CB-CZ 4.27Å; Q329-F355 VanDerWaalsContact O-CZ 3.31Å; Q329-F355 WeakPolarHBondContact O-CZ 3.27Å |
| 330 | L | 92.7 | Very high | 89.3 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 174.3 | 179.2 | 69.8 | 0 | 0 | 0 | 111.5 | I5 I8 F9 I12 M291 Q326 L327 V332 L333 C334 | I5-L330 HydrophobicContact CG2-CB 4.26Å; I5-L330 HydrophobicContact CG2-CD1 4.23Å; I8-L330 HydrophobicContact CB-CD1 4.39Å; I8-L330 HydrophobicContact CG2-CD1 4.02Å; I8-L330 HydrophobicContact CG2-CD2 3.59Å; I8-L330 HydrophobicContact CG2-CG 4.47Å; F9-L330 HydrophobicContact CB-CD1 3.85Å; I12-L330 HydrophobicContact CD1-CD1 4.28Å; I12-L330 HydrophobicContact CD1-CD2 3.85Å; I12-L330 HydrophobicContact CD1-CG 4.33Å; M291-L330 HydrophobicContact CE-CB 4.03Å; M291-L330 HydrophobicContact CE-CD2 3.61Å; M291-L330 HydrophobicContact CE-CG 4.25Å; Q326-L330 WeakPolarHBondContact O-CB 3.29Å; Q326-L330 PolarHBondContact O-N 3.17Å; L327-L330 PolarHBondContact O-N 3.42Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.88Å; L330-L333 WeakPolarHBondContact O-CB 3.38Å; L330-L333 PolarHBondContact O-N 3.43Å; L330-C334 WeakPolarHBondContact O-CB 3.28Å; L330-C334 PolarHBondContact O-N 3.16Å; L330-C334 PolarHBondContact O-SG 3.28Å |
| 331 | L | 93.4 | Very high | 89.1 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.8 | -177.5 | 150.7 | 0 | 0 | 0 | 111.5 | L327 L328 Q329 L333 C334 S335 | L327-L331 WeakPolarHBondContact O-CB 3.17Å; L327-L331 PolarHBondContact O-N 2.87Å; L328-L331 PolarHBondContact O-N 3.47Å; Q329-L331 VanDerWaalsContact C-N 3.35Å; Q329-L331 PolarHBondContact O-N 3.35Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-C334 PolarHBondContact O-N 2.87Å; L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.47Å; L331-S335 PolarHBondContact O-OG 3.41Å |
| 332 | V | 91.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 52 Ų | 52 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 173.4 | 171 | 0 | 0 | 0 | 0 | 109.6 | L328 Q329 L330 C334 S335 F336 V351 F355 | L328-V332 WeakPolarHBondContact O-CG2 3.19Å; L328-V332 PolarHBondContact O-N 3.09Å; Q329-V332 PolarHBondContact O-N 3.28Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 2.88Å; V332-C334 PolarHBondContact O-N 3.4Å; V332-S335 PolarHBondContact O-N 3.01Å; V332-F336 HydrophobicContact CG1-CD2 3.95Å; V332-F336 HydrophobicContact CG1-CE2 3.84Å; V332-F336 WeakPolarHBondContact O-CD2 3.31Å; V332-F336 PolarHBondContact O-N 3.22Å; V332-V351 HydrophobicContact CG1-CG1 3.96Å; V332-F355 HydrophobicContact CG1-CE1 4.37Å; V332-F355 HydrophobicContact CG1-CZ 4.4Å |
| 333 | L | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.3 | -168.2 | 61.2 | 0 | 0 | 0 | 112.6 | I5 F9 Q329 L330 L331 S335 F336 G337 F348 V351 C352 F355 | I5-L333 HydrophobicContact CG2-CD2 4.32Å; F9-L333 HydrophobicContact CB-CD2 3.54Å; F9-L333 HydrophobicContact CB-CG 4.28Å; F9-L333 HydrophobicContact CD1-CD2 3.97Å; F9-L333 HydrophobicContact CD1-CG 4.31Å; F9-L333 HydrophobicContact CD2-CB 4.32Å; F9-L333 HydrophobicContact CD2-CD2 3.92Å; F9-L333 HydrophobicContact CD2-CG 3.68Å; F9-L333 HydrophobicContact CE2-CG 4.11Å; F9-L333 HydrophobicContact CG-CD2 3.51Å; F9-L333 HydrophobicContact CG-CG 3.8Å; Q329-L333 WeakPolarHBondContact O-CB 3.36Å; Q329-L333 PolarHBondContact O-N 3.3Å; L330-L333 WeakPolarHBondContact O-CB 3.38Å; L330-L333 PolarHBondContact O-N 3.43Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.41Å; L333-F336 PolarHBondContact O-N 3.01Å; L333-G337 PolarHBondContact O-N 3.33Å; L333-F348 HydrophobicContact CD1-CD2 3.71Å; L333-F348 HydrophobicContact CD1-CE2 3.26Å; L333-F348 HydrophobicContact CD1-CZ 4.02Å; L333-F348 HydrophobicContact CD2-CE2 4.43Å; L333-F348 HydrophobicContact CG-CE2 3.84Å; L333-V351 HydrophobicContact CD1-CG1 4.45Å; L333-C352 WeakPolarHBondContact CD1-SG 2.95Å; L333-F355 HydrophobicContact CB-CE2 4Å; L333-F355 HydrophobicContact CB-CZ 4.06Å; L333-F355 HydrophobicContact CD1-CE2 4.07Å; L333-F355 HydrophobicContact CD1-CZ 4.42Å; L333-F355 HydrophobicContact CD2-CE2 4.19Å; L333-F355 HydrophobicContact CG-CE2 4.32Å |
| 334 | C | 90.9 | Very high | 88 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 176.6 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | L330 L331 V332 F336 L338 | L330-C334 WeakPolarHBondContact O-CB 3.28Å; L330-C334 PolarHBondContact O-N 3.16Å; L330-C334 PolarHBondContact O-SG 3.28Å; L331-C334 PolarHBondContact O-N 2.87Å; V332-C334 PolarHBondContact O-N 3.4Å; C334-F336 VanDerWaalsContact C-N 3.33Å; C334-F336 PolarHBondContact O-N 2.75Å; C334-L338 HydrophobicContact CB-CD1 4.37Å; C334-L338 VanDerWaalsContact O-CB 3.31Å; C334-L338 WeakPolarHBondContact O-CB 3.24Å; C334-L338 PolarHBondContact O-N 3.22Å |
| 335 | S | 89.3 | Confident | 87.4 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | -179.6 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | L331 V332 L333 | L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.47Å; L331-S335 PolarHBondContact O-OG 3.41Å; V332-S335 PolarHBondContact O-N 3.01Å; L333-S335 VanDerWaalsContact C-N 3.34Å; L333-S335 PolarHBondContact O-N 3.41Å |
| 336 | F | 88.6 | Confident | 86.9 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -83.4 | -38.4 | 177.1 | -70.1 | -70.7 | 0 | 0 | 0 | 112.9 | V332 L333 C334 I344 V351 | V332-F336 HydrophobicContact CG1-CD2 3.95Å; V332-F336 HydrophobicContact CG1-CE2 3.84Å; V332-F336 WeakPolarHBondContact O-CD2 3.31Å; V332-F336 PolarHBondContact O-N 3.22Å; L333-F336 PolarHBondContact O-N 3.01Å; C334-F336 VanDerWaalsContact C-N 3.33Å; C334-F336 PolarHBondContact O-N 2.75Å; F336-I344 HydrophobicContact CB-CG2 4.47Å; F336-I344 HydrophobicContact CD1-CG2 3.69Å; F336-V351 HydrophobicContact CD2-CG1 4.21Å; F336-V351 HydrophobicContact CD2-CG2 3.87Å; F336-V351 HydrophobicContact CE2-CG2 4.22Å; F336-V351 HydrophobicContact CG-CG2 4.18Å |
| 337 | G | 85.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 72.1 Ų | 72.1 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.2 | -29.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L333 | L333-G337 PolarHBondContact O-N 3.33Å |
| 338 | L | 84.6 | Confident | 86.2 | Confident | 73 Ų | 73 | 69.7 Ų | 69.7 | 38% | 0.382 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 11.8 | 178.3 | -56.8 | 176.2 | 0 | 0 | 0 | 112.8 | I12 A13 A16 C334 | I12-L338 HydrophobicContact CG2-CD1 4.08Å; A13-L338 HydrophobicContact CB-CD2 4.2Å; A16-L338 HydrophobicContact CB-CD1 4.19Å; A16-L338 HydrophobicContact CB-CD2 4Å; C334-L338 HydrophobicContact CB-CD1 4.37Å; C334-L338 VanDerWaalsContact O-CB 3.31Å; C334-L338 WeakPolarHBondContact O-CB 3.24Å; C334-L338 PolarHBondContact O-N 3.22Å |
| 339 | A | 86 | Confident | 85.6 | Confident | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | trans | -64.9 | 137.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y341 I344 | A339-Y341 PolarHBondContact O-N 3.5Å; A339-Y341 VanDerWaalsContact O-N 3.15Å; A339-I344 HydrophobicContact CB-CB 3.87Å; A339-I344 HydrophobicContact CB-CD1 4.16Å; A339-I344 HydrophobicContact CB-CG2 3.67Å | ||
| 340 | P | 81.3 | Confident | 85.2 | Confident | 111 Ų | 111 | 68.7 Ų | 68.7 | 72% | 0.721 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -70 | -10.9 | -179.5 | 28.9 | -35.4 | 0 | 0 | 0 | 113.3 | ||
| 341 | Y | 84.6 | Confident | 85 | Confident | 152 Ų | 152 | 68.8 Ų | 68.8 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -97 | 119.6 | -175.8 | -56.7 | -71.6 | 0 | 0 | 0 | 110.6 | A339 Y343 I344 | A339-Y341 PolarHBondContact O-N 3.5Å; A339-Y341 VanDerWaalsContact O-N 3.15Å; Y341-Y343 PolarHBondContact O-N 3.19Å; Y341-Y343 VanDerWaalsContact O-N 3.11Å; Y341-I344 HydrophobicContact CD2-CD1 3.75Å; Y341-I344 HydrophobicContact CG-CD1 4.31Å; Y341-I344 PolarHBondContact O-N 3.47Å |
| 342 | P | 78.4 | Confident | 84.5 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 57% | 0.571 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.1 | -25.3 | -176.1 | 24.8 | -34.6 | 0 | 0 | 0 | 113.2 | I344 E345 | P342-I344 VanDerWaalsContact C-N 3.33Å; P342-I344 PolarHBondContact O-N 3.06Å; P342-E345 PolarHBondContact O-N 3.11Å |
| 343 | Y | 81 | Confident | 84.1 | Confident | 191 Ų | 191 | 68.1 Ų | 68.1 | 75% | 0.749 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68 | -31.8 | 176.7 | -54.3 | -71.7 | 0 | 0 | 0 | 113.2 | Y341 M346 | Y341-Y343 PolarHBondContact O-N 3.19Å; Y341-Y343 VanDerWaalsContact O-N 3.11Å; Y343-M346 PolarHBondContact O-N 2.68Å |
| 344 | I | 82.7 | Confident | 83.9 | Confident | 55 Ų | 55 | 70 Ų | 70 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.4 | -37 | 179.6 | -62 | -177.5 | 0 | 0 | 0 | 109.8 | F336 A339 Y341 P342 M346 I347 | F336-I344 HydrophobicContact CB-CG2 4.47Å; F336-I344 HydrophobicContact CD1-CG2 3.69Å; A339-I344 HydrophobicContact CB-CB 3.87Å; A339-I344 HydrophobicContact CB-CD1 4.16Å; A339-I344 HydrophobicContact CB-CG2 3.67Å; Y341-I344 HydrophobicContact CD2-CD1 3.75Å; Y341-I344 HydrophobicContact CG-CD1 4.31Å; Y341-I344 PolarHBondContact O-N 3.47Å; P342-I344 VanDerWaalsContact C-N 3.33Å; P342-I344 PolarHBondContact O-N 3.06Å; I344-M346 PolarHBondContact O-N 3.36Å; I344-I347 WeakPolarHBondContact O-CB 3.34Å; I344-I347 PolarHBondContact O-N 2.98Å |
| 345 | E | 78.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.8 | -31.3 | 176 | -164.5 | 179.2 | 169.7 | 0 | 0 | 112 | P342 I347 F348 | P342-E345 PolarHBondContact O-N 3.11Å; E345-I347 PolarHBondContact O-N 3.15Å; E345-F348 WeakPolarHBondContact O-CB 3.13Å; E345-F348 PolarHBondContact O-N 3.48Å |
| 346 | M | 78.1 | Confident | 83.2 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.5 | 175.7 | -165 | 175.6 | 74.3 | 0 | 0 | 113.9 | L153 Y343 I344 F348 P349 | L153-M346 HydrophobicContact CD2-CE 4.1Å; L153-M346 HydrophobicContact CD2-SD 3.39Å; L153-M346 WeakPolarHBondContact CD2-SD 3.33Å; Y343-M346 PolarHBondContact O-N 2.68Å; I344-M346 PolarHBondContact O-N 3.36Å; M346-F348 VanDerWaalsContact C-N 3.32Å; M346-P349 VanDerWaalsContact O-CD 3.25Å; M346-P349 WeakPolarHBondContact O-CD 3.41Å |
| 347 | I | 84.2 | Confident | 82.9 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 41% | 0.41 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.4 | 178.1 | -60.4 | 172.5 | 0 | 0 | 0 | 111.2 | I344 E345 V350 V351 | I344-I347 WeakPolarHBondContact O-CB 3.34Å; I344-I347 PolarHBondContact O-N 2.98Å; E345-I347 PolarHBondContact O-N 3.15Å; I347-V350 WeakPolarHBondContact O-CB 3.34Å; I347-V350 PolarHBondContact O-N 3.18Å; I347-V351 HydrophobicContact CG2-CG2 3.94Å; I347-V351 PolarHBondContact O-N 2.86Å; I347-V351 VanDerWaalsContact O-N 3.11Å |
| 348 | F | 84.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -47.3 | -46.8 | -179.3 | 176.6 | -96.1 | 0 | 0 | 0 | 114.7 | F6 F9 L160 L333 E345 M346 V350 V351 C352 | F6-F348 HydrophobicContact CD2-CZ 4.48Å; F6-F348 AromaticContact CE2-CE1 3.95Å; F6-F348 HydrophobicContact CE2-CE1 3.95Å; F6-F348 AromaticContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CE2-CZ 3.65Å; F6-F348 HydrophobicContact CZ-CE1 4.46Å; F6-F348 HydrophobicContact CZ-CZ 4.31Å; F9-F348 HydrophobicContact CD1-CE2 4Å; F9-F348 AromaticContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CD1-CZ 3.96Å; F9-F348 HydrophobicContact CE1-CD2 4.46Å; F9-F348 AromaticContact CE1-CE2 3.3Å; F9-F348 HydrophobicContact CE1-CE2 3.3Å; F9-F348 AromaticContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE1-CZ 3.38Å; F9-F348 HydrophobicContact CE2-CE2 4.08Å; F9-F348 HydrophobicContact CZ-CD2 4.2Å; F9-F348 AromaticContact CZ-CE2 3.35Å; F9-F348 HydrophobicContact CZ-CE2 3.35Å; F9-F348 AromaticContact CZ-CZ 3.94Å; F9-F348 HydrophobicContact CZ-CZ 3.94Å; L160-F348 HydrophobicContact CD1-CD1 3.92Å; L160-F348 HydrophobicContact CD1-CE1 4.08Å; L333-F348 HydrophobicContact CD1-CD2 3.71Å; L333-F348 HydrophobicContact CD1-CE2 3.26Å; L333-F348 HydrophobicContact CD1-CZ 4.02Å; L333-F348 HydrophobicContact CD2-CE2 4.43Å; L333-F348 HydrophobicContact CG-CE2 3.84Å; E345-F348 WeakPolarHBondContact O-CB 3.13Å; E345-F348 PolarHBondContact O-N 3.48Å; M346-F348 VanDerWaalsContact C-N 3.32Å; F348-V350 VanDerWaalsContact C-N 3.29Å; F348-V350 PolarHBondContact O-N 3.33Å; F348-V351 PolarHBondContact O-N 3.14Å; F348-C352 PolarHBondContact O-N 3.39Å; F348-C352 PolarHBondContact O-SG 3.01Å |
| 349 | P | 79.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | -179.4 | -16.7 | 30.3 | 0 | 0 | 0 | 112.6 | V159 L160 M346 C352 F353 | V159-P349 HydrophobicContact CG1-CB 4.27Å; L160-P349 HydrophobicContact CB-CB 4.1Å; L160-P349 HydrophobicContact CB-CG 3.63Å; L160-P349 HydrophobicContact CD1-CB 4.31Å; L160-P349 HydrophobicContact CD1-CG 3.84Å; L160-P349 HydrophobicContact CD2-CG 4.49Å; L160-P349 HydrophobicContact CG-CG 4.16Å; M346-P349 VanDerWaalsContact O-CD 3.25Å; M346-P349 WeakPolarHBondContact O-CD 3.41Å; P349-C352 PolarHBondContact O-N 3.33Å; P349-F353 WeakPolarHBondContact O-CB 3.4Å; P349-F353 PolarHBondContact O-N 2.89Å |
| 350 | V | 83.7 | Confident | 82.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | I347 F348 F353 S354 | I347-V350 WeakPolarHBondContact O-CB 3.34Å; I347-V350 PolarHBondContact O-N 3.18Å; F348-V350 VanDerWaalsContact C-N 3.29Å; F348-V350 PolarHBondContact O-N 3.33Å; V350-F353 PolarHBondContact O-N 3.4Å; V350-S354 PolarHBondContact O-N 3.49Å |
| 351 | V | 87.2 | Confident | 82.2 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | V332 L333 F336 I347 F348 F353 S354 F355 | V332-V351 HydrophobicContact CG1-CG1 3.96Å; L333-V351 HydrophobicContact CD1-CG1 4.45Å; F336-V351 HydrophobicContact CD2-CG1 4.21Å; F336-V351 HydrophobicContact CD2-CG2 3.87Å; F336-V351 HydrophobicContact CE2-CG2 4.22Å; F336-V351 HydrophobicContact CG-CG2 4.18Å; I347-V351 HydrophobicContact CG2-CG2 3.94Å; I347-V351 PolarHBondContact O-N 2.86Å; I347-V351 VanDerWaalsContact O-N 3.11Å; F348-V351 PolarHBondContact O-N 3.14Å; V351-F353 VanDerWaalsContact C-N 3.31Å; V351-F353 PolarHBondContact O-N 3.3Å; V351-S354 WeakPolarHBondContact O-CB 3.41Å; V351-S354 PolarHBondContact O-N 3.21Å; V351-S354 VanDerWaalsContact O-N 3.11Å; V351-S354 PolarHBondContact O-OG 3.11Å; V351-F355 HydrophobicContact CG1-CE1 3.91Å; V351-F355 HydrophobicContact CG1-CZ 3.8Å; V351-F355 WeakPolarHBondContact O-CD1 3.26Å; V351-F355 PolarHBondContact O-N 3.49Å |
| 352 | C | 84.4 | Confident | 82 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 174.6 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | L163 L333 F348 P349 S354 F355 | L163-C352 HydrophobicContact CD1-CB 4.44Å; L163-C352 HydrophobicContact CD2-CB 3.23Å; L163-C352 HydrophobicContact CG-CB 4.44Å; L333-C352 WeakPolarHBondContact CD1-SG 2.95Å; F348-C352 PolarHBondContact O-N 3.39Å; F348-C352 PolarHBondContact O-SG 3.01Å; P349-C352 PolarHBondContact O-N 3.33Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.26Å; C352-F355 WeakPolarHBondContact O-CB 2.97Å; C352-F355 PolarHBondContact O-N 3.19Å; C352-F355 VanDerWaalsContact O-N 3.12Å |
| 353 | F | 83.4 | Confident | 81.9 | Confident | 124 Ų | 124 | 70.8 Ų | 70.8 | 54% | 0.544 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.8 | -169.2 | -96.5 | 0 | 0 | 0 | 111.8 | P349 V350 V351 F355 F356 P357 | P349-F353 WeakPolarHBondContact O-CB 3.4Å; P349-F353 PolarHBondContact O-N 2.89Å; V350-F353 PolarHBondContact O-N 3.4Å; V351-F353 VanDerWaalsContact C-N 3.31Å; V351-F353 PolarHBondContact O-N 3.3Å; F353-F355 PolarHBondContact O-N 2.92Å; F353-F356 HydrophobicContact CD2-CD2 4.44Å; F353-F356 PolarHBondContact O-N 3.01Å; F353-P357 WeakPolarHBondContact O-CD 3.49Å |
| 354 | S | 84.8 | Confident | 81.6 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -21.4 | 176.5 | 83.2 | 0 | 0 | 0 | 0 | 113.7 | V350 V351 C352 F356 P357 I358 | V350-S354 PolarHBondContact O-N 3.49Å; V351-S354 WeakPolarHBondContact O-CB 3.41Å; V351-S354 PolarHBondContact O-N 3.21Å; V351-S354 VanDerWaalsContact O-N 3.11Å; V351-S354 PolarHBondContact O-OG 3.11Å; C352-S354 VanDerWaalsContact C-N 3.27Å; C352-S354 PolarHBondContact O-N 3.26Å; S354-F356 VanDerWaalsContact C-N 3.3Å; S354-F356 PolarHBondContact O-N 3.07Å; S354-P357 WeakPolarHBondContact O-CD 3.25Å; S354-P357 VanDerWaalsContact O-CG 3.23Å; S354-P357 WeakPolarHBondContact O-CG 3.44Å; S354-I358 VanDerWaalsContact O-CD1 3.29Å; S354-I358 WeakPolarHBondContact O-CD1 3.39Å; S354-I358 WeakPolarHBondContact O-CG1 3.43Å; S354-I358 PolarHBondContact O-N 2.78Å |
| 355 | F | 85.2 | Confident | 81.4 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -26.4 | 177.4 | -62.7 | -14.9 | 0 | 0 | 0 | 113 | Q329 V332 L333 V351 C352 F353 I358 R359 | Q329-F355 HydrophobicContact CB-CE1 4.39Å; Q329-F355 HydrophobicContact CB-CE2 4.48Å; Q329-F355 HydrophobicContact CB-CZ 4.27Å; Q329-F355 VanDerWaalsContact O-CZ 3.31Å; Q329-F355 WeakPolarHBondContact O-CZ 3.27Å; V332-F355 HydrophobicContact CG1-CE1 4.37Å; V332-F355 HydrophobicContact CG1-CZ 4.4Å; L333-F355 HydrophobicContact CB-CE2 4Å; L333-F355 HydrophobicContact CB-CZ 4.06Å; L333-F355 HydrophobicContact CD1-CE2 4.07Å; L333-F355 HydrophobicContact CD1-CZ 4.42Å; L333-F355 HydrophobicContact CD2-CE2 4.19Å; L333-F355 HydrophobicContact CG-CE2 4.32Å; V351-F355 HydrophobicContact CG1-CE1 3.91Å; V351-F355 HydrophobicContact CG1-CZ 3.8Å; V351-F355 WeakPolarHBondContact O-CD1 3.26Å; V351-F355 PolarHBondContact O-N 3.49Å; C352-F355 WeakPolarHBondContact O-CB 2.97Å; C352-F355 PolarHBondContact O-N 3.19Å; C352-F355 VanDerWaalsContact O-N 3.12Å; F353-F355 PolarHBondContact O-N 2.92Å; F355-I358 HydrophobicContact CD1-CD1 4.32Å; F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.36Å; F355-R359 PolarHBondContact O-N 3.21Å |
| 356 | F | 80.8 | Confident | 81.3 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -54.5 | 175.1 | -69.7 | -81.1 | 0 | 0 | 0 | 113.2 | L163 F353 S354 I358 R359 H360 | L163-F356 HydrophobicContact CD1-CE2 3.85Å; L163-F356 HydrophobicContact CD1-CZ 4.38Å; F353-F356 HydrophobicContact CD2-CD2 4.44Å; F353-F356 PolarHBondContact O-N 3.01Å; S354-F356 VanDerWaalsContact C-N 3.3Å; S354-F356 PolarHBondContact O-N 3.07Å; F356-I358 VanDerWaalsContact C-N 3.35Å; F356-R359 PolarHBondContact O-N 3.06Å; F356-H360 PolarHBondContact O-N 3.05Å |
| 357 | P | 82.6 | Confident | 81.3 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 177 | 25.5 | -33.6 | 0 | 0 | 0 | 111.8 | F353 S354 R359 H360 L361 | F353-P357 WeakPolarHBondContact O-CD 3.49Å; S354-P357 WeakPolarHBondContact O-CD 3.25Å; S354-P357 VanDerWaalsContact O-CG 3.23Å; S354-P357 WeakPolarHBondContact O-CG 3.44Å; P357-R359 VanDerWaalsContact C-N 3.28Å; P357-R359 PolarHBondContact O-N 3.27Å; P357-H360 PolarHBondContact O-N 3.29Å; P357-H360 VanDerWaalsContact O-N 3.16Å; P357-L361 HydrophobicContact CB-CD1 4.35Å; P357-L361 VanDerWaalsContact O-CB 3.28Å; P357-L361 WeakPolarHBondContact O-CB 3.23Å; P357-L361 WeakPolarHBondContact O-CG 3.46Å; P357-L361 PolarHBondContact O-N 3.28Å |
| 358 | I | 82.7 | Confident | 80.9 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.3 | -67 | 166.4 | 0 | 0 | 0 | 110 | S354 F355 F356 H360 L362 | S354-I358 VanDerWaalsContact O-CD1 3.29Å; S354-I358 WeakPolarHBondContact O-CD1 3.39Å; S354-I358 WeakPolarHBondContact O-CG1 3.43Å; S354-I358 PolarHBondContact O-N 2.78Å; F355-I358 HydrophobicContact CD1-CD1 4.32Å; F356-I358 VanDerWaalsContact C-N 3.35Å; I358-H360 PolarHBondContact O-N 2.7Å; I358-L362 HydrophobicContact CG2-CB 4.15Å; I358-L362 WeakPolarHBondContact O-CA 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 PolarHBondContact O-N 3.23Å |
| 359 | R | 80.3 | Confident | 80.6 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 19% | 0.192 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.1 | 175.7 | 172.7 | -177 | -164 | 1.3 | 112.7 | F355 F356 P357 I363 P364 D376 | F355-R359 VanDerWaalsContact O-CB 3.32Å; F355-R359 WeakPolarHBondContact O-CB 3.36Å; F355-R359 PolarHBondContact O-N 3.21Å; F356-R359 PolarHBondContact O-N 3.06Å; P357-R359 VanDerWaalsContact C-N 3.28Å; P357-R359 PolarHBondContact O-N 3.27Å; R359-I363 HydrophobicContact CB-CD1 4.17Å; R359-I363 HydrophobicContact CG-CD1 4.06Å; R359-I363 WeakPolarHBondContact O-CB 3.29Å; R359-P364 VanDerWaalsContact O-CD 3.28Å; R359-P364 WeakPolarHBondContact O-CD 3.48Å; R359-D376 IonicContact CZ-OD2 3.14Å; R359-D376 IonicContact NH2-OD1 2.66Å; R359-D376 PolarHBondContact NH2-OD1 3.39Å; R359-D376 IonicContact NH2-OD2 3.4Å; R359-D376 PolarHBondContact NH2-OD2 2.87Å |
| 360 | H | 78.6 | Confident | 80.5 | Confident | 149 Ų | 149 | 76.6 Ų | 76.6 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.6 | -28 | -176.6 | -163.7 | -58.5 | 0 | 0 | 0 | 113.2 | F356 P357 I358 P364 | F356-H360 PolarHBondContact O-N 3.05Å; P357-H360 PolarHBondContact O-N 3.29Å; P357-H360 VanDerWaalsContact O-N 3.16Å; I358-H360 PolarHBondContact O-N 2.7Å; H360-P364 WeakPolarHBondContact O-CG 3.39Å |
| 361 | L | 81.7 | Confident | 80.2 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -101.2 | -46.6 | -174.6 | -61.6 | 174 | 0 | 0 | 0 | 112.5 | P357 | P357-L361 HydrophobicContact CB-CD1 4.35Å; P357-L361 VanDerWaalsContact O-CB 3.28Å; P357-L361 WeakPolarHBondContact O-CB 3.23Å; P357-L361 WeakPolarHBondContact O-CG 3.46Å; P357-L361 PolarHBondContact O-N 3.28Å |
| 362 | L | 79.1 | Confident | 79.7 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 45% | 0.45 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -39.9 | -170.3 | -163.6 | 124.9 | 0 | 0 | 0 | 112.2 | I358 H365 L366 | I358-L362 HydrophobicContact CG2-CB 4.15Å; I358-L362 WeakPolarHBondContact O-CA 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 PolarHBondContact O-N 3.23Å; L362-H365 PolarHBondContact O-N 3.32Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 PolarHBondContact O-N 3.45Å |
| 363 | I | 77.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.3 | -44.2 | -174.7 | -57.8 | -175 | 0 | 0 | 0 | 112.7 | F322 R359 H365 L366 I367 L372 | F322-I363 HydrophobicContact CD2-CG2 4.42Å; F322-I363 HydrophobicContact CE2-CD1 4.19Å; F322-I363 HydrophobicContact CE2-CG2 4.33Å; R359-I363 HydrophobicContact CB-CD1 4.17Å; R359-I363 HydrophobicContact CG-CD1 4.06Å; R359-I363 WeakPolarHBondContact O-CB 3.29Å; I363-H365 PolarHBondContact O-N 3.41Å; I363-H365 VanDerWaalsContact O-N 3.15Å; I363-L366 PolarHBondContact O-N 3.49Å; I363-I367 PolarHBondContact O-N 2.98Å; I363-L372 HydrophobicContact CG2-CD1 3.64Å; I363-L372 HydrophobicContact CG2-CD2 4.27Å |
| 364 | P | 74.5 | Confident | 78.7 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 34% | 0.338 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -20.2 | 176.3 | -26.4 | 38 | 0 | 0 | 0 | 113.7 | R359 H360 L369 | R359-P364 VanDerWaalsContact O-CD 3.28Å; R359-P364 WeakPolarHBondContact O-CD 3.48Å; H360-P364 WeakPolarHBondContact O-CG 3.39Å; P364-L369 HydrophobicContact CB-CD2 4.07Å; P364-L369 HydrophobicContact CG-CD2 4.2Å |
| 365 | H | 78.6 | Confident | 78.1 | Confident | 172 Ų | 172 | 71.6 Ų | 71.6 | 80% | 0.796 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78.3 | -27.1 | 175.2 | -164.6 | 70.4 | 0 | 0 | 0 | 112.8 | L362 I363 | L362-H365 PolarHBondContact O-N 3.32Å; I363-H365 PolarHBondContact O-N 3.41Å; I363-H365 VanDerWaalsContact O-N 3.15Å |
| 366 | L | 76.9 | Confident | 77.4 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -95.9 | -29.1 | -176.7 | -73.7 | 159.2 | 0 | 0 | 0 | 113.3 | K318 L362 I363 | K318-L366 PolarHBondContact NZ-O 2.8Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 PolarHBondContact O-N 3.45Å; I363-L366 PolarHBondContact O-N 3.49Å |
| 367 | I | 76.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -138.1 | 127.7 | -170.8 | -55.7 | 175.2 | 0 | 0 | 0 | 109.3 | K318 F322 I363 L369 | K318-I367 HydrophobicContact CD-CG1 4.44Å; F322-I367 HydrophobicContact CB-CD1 3.7Å; F322-I367 HydrophobicContact CD2-CD1 3.93Å; F322-I367 HydrophobicContact CG-CD1 4.27Å; I363-I367 PolarHBondContact O-N 2.98Å; I367-L369 PolarHBondContact O-N 3.45Å |
| 368 | D | 77.4 | Confident | 75 | Confident | 102 Ų | 102 | 76 Ų | 76 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | trans | -57.4 | 137 | 176.9 | -56.1 | -50 | 0 | 0 | 0 | 110.9 | K370 Y371 L372 | D368-K370 PolarHBondContact O-N 3.36Å; D368-Y371 HydrophobicContact CB-CD2 3.76Å; D368-Y371 HydrophobicContact CB-CE2 4.09Å; D368-Y371 PolarHBondContact O-N 3.31Å; D368-Y371 WeakPolarHBondContact OD2-CE2 3.33Å; D368-L372 PolarHBondContact O-N 3.26Å | ||
| 369 | L | 77.2 | Confident | 72.8 | Confident | 106 Ų | 106 | 81.9 Ų | 81.9 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -51.9 | -35.1 | -177.5 | -68.3 | 169.8 | 0 | 0 | 0 | 113 | P364 I367 Y371 L372 D373 | P364-L369 HydrophobicContact CB-CD2 4.07Å; P364-L369 HydrophobicContact CG-CD2 4.2Å; I367-L369 PolarHBondContact O-N 3.45Å; L369-Y371 VanDerWaalsContact C-N 3.29Å; L369-Y371 PolarHBondContact O-N 3.24Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.12Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L369-D373 PolarHBondContact O-N 3.17Å |
| 370 | K | 76 | Confident | 72.4 | Confident | 173 Ų | 173 | 83.5 Ų | 83.5 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.8 | -37.6 | 177.1 | -174.9 | 178.6 | 179 | -178.7 | 0 | 113.2 | D368 | D368-K370 PolarHBondContact O-N 3.36Å |
| 371 | Y | 78.2 | Confident | 72.1 | Confident | 68 Ų | 68 | 80 Ų | 80 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -77.9 | -32.3 | 177.3 | -61.9 | -58.1 | 0 | 0 | 0 | 111.4 | V314 D368 L369 A374 L375 | V314-Y371 HydrophobicContact CB-CD1 4.14Å; V314-Y371 HydrophobicContact CG1-CD1 3.9Å; V314-Y371 HydrophobicContact CG1-CG 4.1Å; V314-Y371 HydrophobicContact CG2-CD1 3.95Å; D368-Y371 HydrophobicContact CB-CD2 3.76Å; D368-Y371 HydrophobicContact CB-CE2 4.09Å; D368-Y371 PolarHBondContact O-N 3.31Å; D368-Y371 WeakPolarHBondContact OD2-CE2 3.33Å; L369-Y371 VanDerWaalsContact C-N 3.29Å; L369-Y371 PolarHBondContact O-N 3.24Å; Y371-A374 PolarHBondContact O-N 3.41Å; Y371-L375 WeakPolarHBondContact O-CG 3.4Å; Y371-L375 PolarHBondContact O-N 3.35Å |
| 372 | L | 75.9 | Confident | 71.6 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.6 | -164.1 | 72 | 0 | 0 | 0 | 111.4 | F322 I363 D368 L369 A374 L375 D376 | F322-L372 HydrophobicContact CD2-CD1 4.23Å; F322-L372 HydrophobicContact CE2-CD1 3.71Å; F322-L372 HydrophobicContact CZ-CD1 4.38Å; I363-L372 HydrophobicContact CG2-CD1 3.64Å; I363-L372 HydrophobicContact CG2-CD2 4.27Å; D368-L372 PolarHBondContact O-N 3.26Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.12Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.16Å; L372-L375 PolarHBondContact O-N 2.85Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L372-D376 PolarHBondContact O-N 3.44Å |
| 373 | D | 74.6 | Confident | 71.1 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 177.2 | -69.7 | -29.4 | 0 | 0 | 0 | 112.4 | L369 G377 R378 | L369-D373 PolarHBondContact O-N 3.17Å; D373-G377 PolarHBondContact O-N 3.22Å; D373-R378 PolarHBondContact O-N 3.49Å |
| 374 | A | 72.7 | Confident | 70.7 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.3 | -31.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y310 V314 Y371 L372 | Y310-A374 WeakPolarHBondContact CB-O 3.37Å; V314-A374 HydrophobicContact CG2-CB 4.04Å; Y371-A374 PolarHBondContact O-N 3.41Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 3.16Å |
| 375 | L | 73.4 | Confident | 70.5 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -79.6 | -30.5 | 178.5 | -76.1 | 165.3 | 0 | 0 | 0 | 113.4 | Y310 V314 I319 F322 Y371 L372 G377 | Y310-L375 HydrophobicContact CD2-CD2 4.42Å; V314-L375 HydrophobicContact CG2-CG 4.37Å; I319-L375 HydrophobicContact CG1-CD2 4.32Å; I319-L375 HydrophobicContact CG2-CD2 4.36Å; F322-L375 HydrophobicContact CB-CD1 4.41Å; F322-L375 HydrophobicContact CD1-CD1 4.28Å; F322-L375 HydrophobicContact CG-CD1 4.24Å; Y371-L375 WeakPolarHBondContact O-CG 3.4Å; Y371-L375 PolarHBondContact O-N 3.35Å; L372-L375 PolarHBondContact O-N 2.85Å; L372-L375 VanDerWaalsContact O-N 3.07Å; L375-G377 VanDerWaalsContact C-N 3.3Å |
| 376 | D | 69.3 | Low | 69.9 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 17% | 0.166 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 2 | 177.3 | -82.1 | -35.6 | 0 | 0 | 0 | 112.7 | S1 R359 L372 R378 | S1-D376 PolarHBondContact N-OD1 3.11Å; R359-D376 IonicContact CZ-OD2 3.14Å; R359-D376 IonicContact NH2-OD1 2.66Å; R359-D376 PolarHBondContact NH2-OD1 3.39Å; R359-D376 IonicContact NH2-OD2 3.4Å; R359-D376 PolarHBondContact NH2-OD2 2.87Å; L372-D376 PolarHBondContact O-N 3.44Å; D376-R378 VanDerWaalsContact C-N 3.3Å; D376-R378 HydrophobicContact CB-CG 4.48Å; D376-R378 PolarHBondContact O-N 3.07Å |
| 377 | G | 62.1 | Low | 69.3 | Low | 53 Ų | 53 | 76.9 Ų | 76.9 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 18.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D373 L375 Q379 | D373-G377 PolarHBondContact O-N 3.22Å; L375-G377 VanDerWaalsContact C-N 3.3Å; G377-Q379 VanDerWaalsContact C-N 3.28Å; G377-Q379 PolarHBondContact O-N 3.1Å |
| 378 | R | 52.3 | Low | 68.7 | Low | 170 Ų | 170 | 82.9 Ų | 82.9 | 64% | 0.642 | 41% | 0.411 | S | S | * | . | trans | -84 | 51.4 | -175.2 | -68.7 | -175.1 | 173.8 | 177.4 | -3.4 | 113.9 | D373 D376 | D373-R378 PolarHBondContact O-N 3.49Å; D376-R378 VanDerWaalsContact C-N 3.3Å; D376-R378 HydrophobicContact CB-CG 4.48Å; D376-R378 PolarHBondContact O-N 3.07Å | ||
| 379 | Q | 35.4 | Very low | 67.9 | Low | 184 Ų | 184 | 81.2 Ų | 81.2 | 86% | 0.86 | 40% | 0.399 | S | S | * | . | trans | -132.2 | 0 | 174.5 | -70.2 | -160.4 | 1.6 | 0 | 0 | 114.5 | R313 G377 | R313-Q379 VanDerWaalsContact NH1-CD 3.31Å; G377-Q379 VanDerWaalsContact C-N 3.28Å; G377-Q379 PolarHBondContact O-N 3.1Å |
Retrieved 379 of 379 residues in 292.4 ms
(Link to these results)