| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 85.6 | Confident | 94.8 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | 0 | 142.3 | 0 | -71.9 | -178.9 | -77.1 | 0 | 0 | 111.6 | N6 N95 E96 | M1-N6 PolarHBondContact O-ND2 3.26Å; M1-N95 CarbonylContact C-O 3.53Å; M1-N95 WeakPolarHBondContact CA-O 3.49Å; M1-N95 PolarHBondContact SD-ND2 3.49Å; M1-N95 PolarHBondContact SD-OD1 3.01Å; M1-E96 WeakPolarHBondContact CG-OE1 3.19Å | |||
| 2 | F | 92.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | trans | -75 | 150.8 | 165.7 | -85.7 | -72.5 | 0 | 0 | 0 | 111 | L7 L57 F61 N95 P97 L100 M184 | F2-L7 HydrophobicContact CD1-CB 4.29Å; F2-L7 HydrophobicContact CD1-CD1 4.31Å; F2-L7 HydrophobicContact CE1-CD1 4.13Å; F2-L57 HydrophobicContact CB-CD1 4.08Å; F2-L57 HydrophobicContact CB-CD2 4.04Å; F2-F61 HydrophobicContact CD1-CZ 4.49Å; F2-N95 PolarHBondContact N-O 3.33Å; F2-N95 WeakPolarHBondContact O-CB 3.34Å; F2-P97 HydrophobicContact CD2-CB 4.37Å; F2-P97 HydrophobicContact CD2-CG 4.25Å; F2-P97 HydrophobicContact CE2-CB 4.21Å; F2-P97 HydrophobicContact CE2-CG 4.48Å; F2-L100 HydrophobicContact CB-CD2 4.26Å; F2-L100 HydrophobicContact CD2-CD2 3.76Å; F2-L100 HydrophobicContact CG-CD2 4.29Å; F2-M184 HydrophobicContact CE1-CG 4.17Å; F2-M184 HydrophobicContact CE1-SD 4.35Å; F2-M184 HydrophobicContact CE2-SD 4.02Å; F2-M184 HydrophobicContact CZ-CG 3.87Å; F2-M184 HydrophobicContact CZ-SD 3.48Å; F2-M184 WeakPolarHBondContact CZ-SD 3.36Å | ||
| 3 | T | 94.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | trans | -150.1 | 165 | 172.4 | 53 | 0 | 0 | 0 | 0 | 110.5 | E5 N6 L7 L57 R191 | T3-E5 PolarHBondContact O-N 2.75Å; T3-N6 WeakPolarHBondContact CA-OD1 3.45Å; T3-N6 PolarHBondContact N-OD1 3.47Å; T3-N6 PolarHBondContact O-OD1 2.6Å; T3-N6 VanDerWaalsContact OG1-CG 3.3Å; T3-N6 PolarHBondContact OG1-N 2.61Å; T3-N6 PolarHBondContact OG1-OD1 3.13Å; T3-L7 WeakPolarHBondContact O-CB 3.11Å; T3-L7 PolarHBondContact O-N 3.32Å; T3-L57 WeakPolarHBondContact O-CD2 3.41Å; T3-R191 PolarHBondContact OG1-NH1 3.05Å | ||
| 4 | P | 95.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.1 | -39.2 | 177.1 | -30.8 | 39.3 | 0 | 0 | 0 | 113.5 | R8 I60 | P4-R8 WeakPolarHBondContact O-CB 3.49Å; P4-R8 WeakPolarHBondContact O-CG 3.42Å; P4-R8 VanDerWaalsContact O-CZ 3.29Å; P4-R8 PolarHBondContact O-N 2.99Å; P4-R8 VanDerWaalsContact O-N 3.12Å; P4-R8 PolarHBondContact O-NE 2.88Å; P4-I60 HydrophobicContact CB-CD1 3.67Å; P4-I60 HydrophobicContact CG-CD1 4.48Å |
| 5 | E | 93.8 | Very high | 95.6 | Very high | 143 Ų | 143 | 38.3 Ų | 38.3 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -73.1 | -52.9 | -176.4 | -170.8 | 170.9 | -171.9 | 0 | 0 | 113.2 | T3 L7 R8 K9 | T3-E5 PolarHBondContact O-N 2.75Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.02Å; E5-R8 PolarHBondContact O-N 3.3Å; E5-K9 PolarHBondContact O-N 2.78Å |
| 6 | N | 94.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -28.8 | 178.8 | 72.6 | -10.4 | 0 | 0 | 0 | 112.3 | M1 T3 K9 T10 A187 R191 | M1-N6 PolarHBondContact O-ND2 3.26Å; T3-N6 WeakPolarHBondContact CA-OD1 3.45Å; T3-N6 PolarHBondContact N-OD1 3.47Å; T3-N6 PolarHBondContact O-OD1 2.6Å; T3-N6 VanDerWaalsContact OG1-CG 3.3Å; T3-N6 PolarHBondContact OG1-N 2.61Å; T3-N6 PolarHBondContact OG1-OD1 3.13Å; N6-K9 PolarHBondContact O-N 3.41Å; N6-T10 WeakPolarHBondContact O-CB 3.24Å; N6-T10 PolarHBondContact O-N 2.97Å; N6-T10 PolarHBondContact O-OG1 3.27Å; N6-A187 HydrophobicContact CB-CB 4.33Å; N6-A187 WeakPolarHBondContact O-CB 3.43Å; N6-R191 HydrophobicContact CB-CB 4.39Å; N6-R191 WeakPolarHBondContact ND2-CD 3.39Å |
| 7 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 173.5 | 178.2 | 58.3 | 0 | 0 | 0 | 111.4 | F2 T3 E5 K9 T10 L11 L57 I60 F61 | F2-L7 HydrophobicContact CD1-CB 4.29Å; F2-L7 HydrophobicContact CD1-CD1 4.31Å; F2-L7 HydrophobicContact CE1-CD1 4.13Å; T3-L7 WeakPolarHBondContact O-CB 3.11Å; T3-L7 PolarHBondContact O-N 3.32Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.02Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.08Å; L7-T10 PolarHBondContact O-N 3.05Å; L7-L11 HydrophobicContact CD1-CD1 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.32Å; L7-L11 HydrophobicContact CG-CD1 4.38Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.34Å; L7-L57 HydrophobicContact CB-CD2 4.11Å; L7-L57 HydrophobicContact CD2-CD2 3.68Å; L7-I60 HydrophobicContact CD2-CB 3.81Å; L7-I60 HydrophobicContact CD2-CG2 3.52Å; L7-I60 HydrophobicContact CG-CG2 3.77Å; L7-F61 HydrophobicContact CD1-CD1 4.21Å; L7-F61 HydrophobicContact CD1-CE1 3.56Å; L7-F61 HydrophobicContact CD1-CZ 3.89Å; L7-F61 HydrophobicContact CD2-CD1 3.87Å; L7-F61 HydrophobicContact CD2-CD2 3.89Å; L7-F61 HydrophobicContact CD2-CE1 3.73Å; L7-F61 HydrophobicContact CD2-CE2 3.75Å; L7-F61 HydrophobicContact CD2-CG 3.93Å; L7-F61 HydrophobicContact CD2-CZ 3.66Å; L7-F61 HydrophobicContact CG-CE1 4.32Å; L7-F61 HydrophobicContact CG-CZ 4.42Å |
| 8 | R | 97.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 172.4 | -83.8 | -174.3 | -72.8 | -87.6 | -0.6 | 110.8 | P4 E5 T10 L11 E12 L53 I60 | P4-R8 WeakPolarHBondContact O-CB 3.49Å; P4-R8 WeakPolarHBondContact O-CG 3.42Å; P4-R8 VanDerWaalsContact O-CZ 3.29Å; P4-R8 PolarHBondContact O-N 2.99Å; P4-R8 VanDerWaalsContact O-N 3.12Å; P4-R8 PolarHBondContact O-NE 2.88Å; E5-R8 PolarHBondContact O-N 3.3Å; R8-T10 VanDerWaalsContact C-N 3.34Å; R8-T10 PolarHBondContact O-N 3.24Å; R8-L11 PolarHBondContact O-N 3.06Å; R8-L11 VanDerWaalsContact O-N 3.1Å; R8-E12 WeakPolarHBondContact O-CG 3.33Å; R8-E12 PolarHBondContact O-N 2.79Å; R8-L53 WeakPolarHBondContact CD-O 3.34Å; R8-L53 HydrophobicContact CG-CB 4.15Å; R8-L53 PolarHBondContact NH1-O 2.91Å; R8-I60 HydrophobicContact CG-CD1 4.39Å |
| 9 | K | 95.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 29% | 0.291 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 179.8 | -171.7 | 53.9 | 176.6 | 168.4 | 0 | 112.7 | E5 N6 L7 L11 E12 L13 A187 | E5-K9 PolarHBondContact O-N 2.78Å; N6-K9 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.08Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 3.41Å; K9-E12 HydrophobicContact CD-CB 4.48Å; K9-E12 VanDerWaalsContact CD-OE2 3.3Å; K9-E12 WeakPolarHBondContact CD-OE2 3.39Å; K9-E12 IonicContact NZ-OE2 2.96Å; K9-E12 PolarHBondContact O-N 3.27Å; K9-L13 HydrophobicContact CD-CD1 4.3Å; K9-L13 HydrophobicContact CD-CG 4.12Å; K9-L13 HydrophobicContact CG-CD1 4.01Å; K9-L13 HydrophobicContact CG-CG 4.34Å; K9-L13 WeakPolarHBondContact O-CB 3.4Å; K9-L13 VanDerWaalsContact O-CG 3.3Å; K9-L13 WeakPolarHBondContact O-CG 3.24Å; K9-L13 PolarHBondContact O-N 2.92Å; K9-A187 HydrophobicContact CB-CB 3.98Å; K9-A187 HydrophobicContact CG-CB 4.01Å |
| 10 | T | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 172.3 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | N6 L7 R8 F14 F180 S183 M184 A187 | N6-T10 WeakPolarHBondContact O-CB 3.24Å; N6-T10 PolarHBondContact O-N 2.97Å; N6-T10 PolarHBondContact O-OG1 3.27Å; L7-T10 PolarHBondContact O-N 3.05Å; R8-T10 VanDerWaalsContact C-N 3.34Å; R8-T10 PolarHBondContact O-N 3.24Å; T10-F14 WeakPolarHBondContact O-CB 3.4Å; T10-F14 PolarHBondContact O-N 3.39Å; T10-F180 HydrophobicContact CG2-CD2 4.17Å; T10-F180 HydrophobicContact CG2-CE2 3.78Å; T10-F180 HydrophobicContact CG2-CZ 4.4Å; T10-S183 WeakPolarHBondContact O-CB 3.37Å; T10-S183 PolarHBondContact OG1-O 3.06Å; T10-M184 HydrophobicContact CG2-CB 4Å; T10-M184 WeakPolarHBondContact OG1-CA 3.28Å; T10-A187 VanDerWaalsContact OG1-CB 3.31Å; T10-A187 WeakPolarHBondContact OG1-CB 3.32Å |
| 11 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69 | -37.2 | 179.6 | -66.8 | 172.9 | 0 | 0 | 0 | 112.3 | L7 R8 K9 N15 M45 V48 M49 L53 I60 A64 M84 | L7-L11 HydrophobicContact CD1-CD1 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.32Å; L7-L11 HydrophobicContact CG-CD1 4.38Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.34Å; R8-L11 PolarHBondContact O-N 3.06Å; R8-L11 VanDerWaalsContact O-N 3.1Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 3.41Å; L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 2.86Å; L11-M45 VanDerWaalsContact O-CE 3.26Å; L11-M45 WeakPolarHBondContact O-CE 3.41Å; L11-V48 HydrophobicContact CD1-CG1 4.25Å; L11-V48 HydrophobicContact CD2-CG1 4.42Å; L11-M49 HydrophobicContact CB-CE 3.8Å; L11-M49 WeakPolarHBondContact O-CE 3.45Å; L11-L53 HydrophobicContact CD1-CD1 4.22Å; L11-L53 HydrophobicContact CD1-CD2 4.3Å; L11-I60 HydrophobicContact CD1-CG2 3.91Å; L11-A64 HydrophobicContact CD1-CB 4.07Å; L11-A64 HydrophobicContact CD2-CB 4.45Å; L11-M84 HydrophobicContact CD2-CE 4.36Å |
| 12 | E | 97.8 | Very high | 96.7 | Very high | 80 Ų | 80 | 36.6 Ų | 36.6 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.4 | -55 | 173.3 | -73.1 | 168.5 | -172.1 | 0 | 0 | 111.3 | R8 K9 F14 N15 E16 M49 | R8-E12 WeakPolarHBondContact O-CG 3.33Å; R8-E12 PolarHBondContact O-N 2.79Å; K9-E12 HydrophobicContact CD-CB 4.48Å; K9-E12 VanDerWaalsContact CD-OE2 3.3Å; K9-E12 WeakPolarHBondContact CD-OE2 3.39Å; K9-E12 IonicContact NZ-OE2 2.96Å; K9-E12 PolarHBondContact O-N 3.27Å; E12-F14 VanDerWaalsContact C-N 3.27Å; E12-F14 PolarHBondContact O-N 3.27Å; E12-N15 WeakPolarHBondContact O-CB 3.34Å; E12-N15 PolarHBondContact O-N 2.81Å; E12-N15 VanDerWaalsContact O-N 3.1Å; E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 3.18Å; E12-M49 HydrophobicContact CG-SD 4.21Å |
| 13 | L | 96 | Very high | 97 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 178.4 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | K9 E16 K17 E186 A187 | K9-L13 HydrophobicContact CD-CD1 4.3Å; K9-L13 HydrophobicContact CD-CG 4.12Å; K9-L13 HydrophobicContact CG-CD1 4.01Å; K9-L13 HydrophobicContact CG-CG 4.34Å; K9-L13 WeakPolarHBondContact O-CB 3.4Å; K9-L13 VanDerWaalsContact O-CG 3.3Å; K9-L13 WeakPolarHBondContact O-CG 3.24Å; K9-L13 PolarHBondContact O-N 2.92Å; L13-E16 PolarHBondContact O-N 3.15Å; L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 3.31Å; L13-E186 HydrophobicContact CD1-CB 3.96Å; L13-E186 HydrophobicContact CD1-CG 3.81Å; L13-A187 HydrophobicContact CD1-CB 4.38Å |
| 14 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.5 | -178.7 | -138.3 | 0 | 0 | 0 | 111.4 | T10 E12 K17 I18 M41 M45 M68 S176 F180 S183 | T10-F14 WeakPolarHBondContact O-CB 3.4Å; T10-F14 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.27Å; E12-F14 PolarHBondContact O-N 3.27Å; F14-K17 PolarHBondContact O-N 3.43Å; F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CD2-CG1 3.83Å; F14-I18 HydrophobicContact CE2-CD1 3.63Å; F14-I18 HydrophobicContact CE2-CG1 3.46Å; F14-I18 VanDerWaalsContact CE2-CG1 3.46Å; F14-I18 HydrophobicContact CZ-CD1 4.04Å; F14-I18 HydrophobicContact CZ-CG1 3.88Å; F14-I18 WeakPolarHBondContact O-CB 3.49Å; F14-I18 VanDerWaalsContact O-CG1 3.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.41Å; F14-I18 PolarHBondContact O-N 3.33Å; F14-M41 HydrophobicContact CE1-CE 4.12Å; F14-M41 HydrophobicContact CZ-CE 3.68Å; F14-M45 HydrophobicContact CB-CE 4.36Å; F14-M45 HydrophobicContact CD1-CE 3.67Å; F14-M45 HydrophobicContact CD1-CG 4.37Å; F14-M45 HydrophobicContact CD1-SD 3.55Å; F14-M45 VanDerWaalsContact CD1-SD 3.55Å; F14-M45 HydrophobicContact CE1-CE 4.39Å; F14-M45 HydrophobicContact CE1-CG 4.31Å; F14-M45 HydrophobicContact CE1-SD 3.65Å; F14-M45 HydrophobicContact CG-CE 4.3Å; F14-M68 HydrophobicContact CE1-CE 4.26Å; F14-S176 VanDerWaalsContact CE2-O 3.25Å; F14-S176 WeakPolarHBondContact CE2-O 3.33Å; F14-F180 HydrophobicContact CD1-CB 4.39Å; F14-F180 AromaticContact CD1-CD2 3.94Å; F14-F180 HydrophobicContact CD1-CD2 3.94Å; F14-F180 HydrophobicContact CD2-CB 3.95Å; F14-F180 HydrophobicContact CE1-CB 4.29Å; F14-F180 HydrophobicContact CE1-CD2 4.28Å; F14-F180 HydrophobicContact CE2-CB 3.86Å; F14-F180 HydrophobicContact CG-CB 4.23Å; F14-F180 HydrophobicContact CG-CD2 4.19Å; F14-F180 HydrophobicContact CZ-CB 4.03Å; F14-S183 WeakPolarHBondContact CA-OG 3.33Å; F14-S183 PolarHBondContact N-OG 2.85Å |
| 15 | N | 98.4 | Very high | 97.3 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | 173.7 | 176.6 | 59.6 | 0 | 0 | 0 | 110.6 | L11 E12 K17 I18 Q19 M45 M49 | L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 2.86Å; E12-N15 WeakPolarHBondContact O-CB 3.34Å; E12-N15 PolarHBondContact O-N 2.81Å; E12-N15 VanDerWaalsContact O-N 3.1Å; N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.77Å; N15-I18 PolarHBondContact O-N 3.11Å; N15-I18 VanDerWaalsContact O-N 3.1Å; N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.3Å; N15-Q19 PolarHBondContact O-N 3.12Å; N15-Q19 PolarHBondContact OD1-NE2 3.41Å; N15-M45 HydrophobicContact CB-CB 4.03Å; N15-M45 HydrophobicContact CB-CE 3.74Å; N15-M45 WeakPolarHBondContact OD1-CB 3.22Å; N15-M49 HydrophobicContact CB-CE 4.38Å; N15-M49 HydrophobicContact CB-CG 3.76Å; N15-M49 HydrophobicContact CB-SD 3.95Å; N15-M49 WeakPolarHBondContact ND2-CG 3.5Å |
| 16 | E | 97.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 36.2 Ų | 36.2 | 39% | 0.388 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -52.5 | -50.5 | 179 | -71.2 | 170.6 | -159.1 | 0 | 0 | 111.6 | E12 L13 I18 Q19 I20 | E12-E16 WeakPolarHBondContact O-CG 3.48Å; E12-E16 PolarHBondContact O-N 3.18Å; L13-E16 PolarHBondContact O-N 3.15Å; E16-I18 PolarHBondContact O-N 3.11Å; E16-Q19 PolarHBondContact O-N 3.18Å; E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.26Å; E16-I20 PolarHBondContact O-N 3.18Å; E16-I20 VanDerWaalsContact O-N 3.13Å |
| 17 | K | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.6 | -68.5 | 175.9 | -164.6 | -73.7 | 0 | 111.8 | L13 F14 N15 Q19 I20 K21 Y179 E182 S183 E186 | L13-K17 WeakPolarHBondContact O-CG 3.5Å; L13-K17 PolarHBondContact O-N 3.31Å; F14-K17 PolarHBondContact O-N 3.43Å; N15-K17 VanDerWaalsContact C-N 3.33Å; N15-K17 PolarHBondContact O-N 2.77Å; K17-Q19 PolarHBondContact O-N 2.99Å; K17-I20 PolarHBondContact O-N 3.42Å; K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.43Å; K17-K21 PolarHBondContact O-N 2.89Å; K17-Y179 HydrophobicContact CB-CG 4.32Å; K17-Y179 HydrophobicContact CD-CD1 4.46Å; K17-E182 WeakPolarHBondContact CD-OE2 3.41Å; K17-E182 WeakPolarHBondContact CE-OE2 3.49Å; K17-E182 IonicContact NZ-OE2 3.84Å; K17-E182 PolarHBondContact NZ-OE2 2.93Å; K17-S183 WeakPolarHBondContact CD-OG 3.41Å; K17-S183 WeakPolarHBondContact CE-OG 3.36Å; K17-E186 IonicContact NZ-OE2 2.83Å |
| 18 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 178.1 | -71.7 | -62.8 | 0 | 0 | 0 | 111.8 | F14 N15 E16 I20 K21 K22 L25 M41 A42 M45 Y179 | F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CD2-CG1 3.83Å; F14-I18 HydrophobicContact CE2-CD1 3.63Å; F14-I18 HydrophobicContact CE2-CG1 3.46Å; F14-I18 VanDerWaalsContact CE2-CG1 3.46Å; F14-I18 HydrophobicContact CZ-CD1 4.04Å; F14-I18 HydrophobicContact CZ-CG1 3.88Å; F14-I18 WeakPolarHBondContact O-CB 3.49Å; F14-I18 VanDerWaalsContact O-CG1 3.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.41Å; F14-I18 PolarHBondContact O-N 3.33Å; N15-I18 PolarHBondContact O-N 3.11Å; N15-I18 VanDerWaalsContact O-N 3.1Å; E16-I18 PolarHBondContact O-N 3.11Å; I18-I20 VanDerWaalsContact C-N 3.3Å; I18-I20 PolarHBondContact O-N 3.2Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-K22 WeakPolarHBondContact O-CB 3.5Å; I18-K22 PolarHBondContact O-N 3.44Å; I18-L25 HydrophobicContact CD1-CD1 3.57Å; I18-M41 HydrophobicContact CD1-CB 4.11Å; I18-M41 HydrophobicContact CD1-CE 4.39Å; I18-M41 HydrophobicContact CG2-CB 3.84Å; I18-A42 HydrophobicContact CG2-CB 4.14Å; I18-M45 HydrophobicContact CB-CG 4.3Å; I18-M45 HydrophobicContact CG1-CG 4.2Å; I18-M45 HydrophobicContact CG2-CB 4.47Å; I18-M45 HydrophobicContact CG2-CG 4.24Å; I18-Y179 HydrophobicContact CD1-CD2 4.25Å |
| 19 | Q | 98.2 | Very high | 97.7 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | -179.2 | -67.2 | -54.6 | -28.5 | 0 | 0 | 111.7 | N15 E16 K17 A42 D46 | N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.3Å; N15-Q19 PolarHBondContact O-N 3.12Å; N15-Q19 PolarHBondContact OD1-NE2 3.41Å; E16-Q19 PolarHBondContact O-N 3.18Å; K17-Q19 PolarHBondContact O-N 2.99Å; Q19-A42 PolarHBondContact NE2-O 2.79Å; Q19-A42 VanDerWaalsContact NE2-O 3.16Å; Q19-D46 PolarHBondContact NE2-OD1 2.84Å |
| 20 | I | 97.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -73.1 | -38.4 | 178 | -53.9 | 163.5 | 0 | 0 | 0 | 110.5 | E16 K17 I18 D210 | E16-I20 VanDerWaalsContact O-CG1 3.26Å; E16-I20 WeakPolarHBondContact O-CG1 3.26Å; E16-I20 PolarHBondContact O-N 3.18Å; E16-I20 VanDerWaalsContact O-N 3.13Å; K17-I20 PolarHBondContact O-N 3.42Å; I18-I20 VanDerWaalsContact C-N 3.3Å; I18-I20 PolarHBondContact O-N 3.2Å; I20-D210 WeakPolarHBondContact CG2-O 3.16Å |
| 21 | K | 97.3 | Very high | 97.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 8% | 0.078 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -94.4 | 2.6 | -173.6 | -72.6 | -68.1 | -164.2 | -170.8 | 0 | 116.6 | K17 I18 D23 Y24 L25 Y179 D210 G211 | K17-K21 VanDerWaalsContact O-CB 3.25Å; K17-K21 WeakPolarHBondContact O-CB 3.43Å; K17-K21 PolarHBondContact O-N 2.89Å; I18-K21 PolarHBondContact O-N 2.98Å; K21-D23 PolarHBondContact O-N 3.37Å; K21-Y24 HydrophobicContact CD-CD1 4.03Å; K21-Y24 HydrophobicContact CD-CG 4.36Å; K21-Y24 PolarHBondContact O-N 3.07Å; K21-Y24 VanDerWaalsContact O-N 3.14Å; K21-L25 WeakPolarHBondContact O-CG 3.38Å; K21-L25 PolarHBondContact O-N 3.02Å; K21-Y179 HydrophobicContact CB-CE2 3.75Å; K21-Y179 WeakPolarHBondContact CD-OH 3.17Å; K21-Y179 HydrophobicContact CG-CE1 4.34Å; K21-Y179 HydrophobicContact CG-CE2 3.96Å; K21-Y179 WeakPolarHBondContact CG-OH 3.3Å; K21-D210 WeakPolarHBondContact CD-O 3.41Å; K21-D210 WeakPolarHBondContact CE-O 3.26Å; K21-D210 VanDerWaalsContact CE-OD1 3.25Å; K21-D210 WeakPolarHBondContact CE-OD1 3.29Å; K21-D210 VanDerWaalsContact CG-O 3.27Å; K21-D210 WeakPolarHBondContact CG-O 3.34Å; K21-D210 PolarHBondContact NZ-O 3.32Å; K21-D210 IonicContact NZ-OD1 3.4Å; K21-D210 PolarHBondContact NZ-OD1 3.4Å; K21-D210 IonicContact NZ-OD2 3.31Å; K21-D210 PolarHBondContact NZ-OD2 2.91Å; K21-G211 WeakPolarHBondContact CG-O 3.48Å |
| 22 | K | 97.6 | Very high | 97.8 | Very high | 68 Ų | 68 | 44 Ų | 44 | 30% | 0.296 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.5 | -35.6 | -176 | 67.8 | -174.1 | 179.1 | -171.1 | 0 | 113.9 | I18 S26 G38 A42 | I18-K22 WeakPolarHBondContact O-CB 3.5Å; I18-K22 PolarHBondContact O-N 3.44Å; K22-S26 WeakPolarHBondContact O-CB 3.36Å; K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.06Å; K22-G38 VanDerWaalsContact O-CA 3.32Å; K22-G38 WeakPolarHBondContact O-CA 3.17Å; K22-A42 HydrophobicContact CB-CB 4.03Å; K22-A42 HydrophobicContact CD-CB 3.88Å |
| 23 | D | 97.8 | Very high | 97.8 | Very high | 110 Ų | 110 | 41.6 Ų | 41.6 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -71.6 | -44.6 | 179.4 | -66.8 | -20.5 | 0 | 0 | 0 | 110.3 | K21 L25 S26 E27 | K21-D23 PolarHBondContact O-N 3.37Å; D23-L25 PolarHBondContact O-N 3.32Å; D23-S26 CarbonylContact O-C 3.6Å; D23-S26 WeakPolarHBondContact O-CB 3.28Å; D23-S26 PolarHBondContact O-N 3.4Å; D23-S26 VanDerWaalsContact O-N 3.15Å; D23-E27 PolarHBondContact O-N 3.22Å |
| 24 | Y | 98.2 | Very high | 97.8 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -44 | 174.4 | 176 | -115.3 | 0 | 0 | 0 | 112.6 | K21 S26 E27 L28 M175 | K21-Y24 HydrophobicContact CD-CD1 4.03Å; K21-Y24 HydrophobicContact CD-CG 4.36Å; K21-Y24 PolarHBondContact O-N 3.07Å; K21-Y24 VanDerWaalsContact O-N 3.14Å; Y24-S26 VanDerWaalsContact C-N 3.25Å; Y24-S26 PolarHBondContact O-N 3.06Å; Y24-E27 WeakPolarHBondContact O-CB 3.43Å; Y24-E27 PolarHBondContact O-N 3.29Å; Y24-E27 VanDerWaalsContact O-N 3.16Å; Y24-L28 HydrophobicContact CD1-CD1 4.26Å; Y24-L28 HydrophobicContact CD2-CG 4.48Å; Y24-L28 HydrophobicContact CE1-CD1 3.66Å; Y24-L28 HydrophobicContact CE1-CG 4.13Å; Y24-L28 HydrophobicContact CE2-CD1 4.44Å; Y24-L28 HydrophobicContact CE2-CD2 3.94Å; Y24-L28 HydrophobicContact CE2-CG 4.05Å; Y24-L28 WeakPolarHBondContact O-CG 3.41Å; Y24-L28 PolarHBondContact O-N 3.07Å; Y24-M175 HydrophobicContact CE1-CG 4.07Å; Y24-M175 HydrophobicContact CE1-SD 4.29Å |
| 25 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 175.7 | -76 | 174 | 0 | 0 | 0 | 112.2 | I18 K21 D23 D29 M175 Y179 | I18-L25 HydrophobicContact CD1-CD1 3.57Å; K21-L25 WeakPolarHBondContact O-CG 3.38Å; K21-L25 PolarHBondContact O-N 3.02Å; D23-L25 PolarHBondContact O-N 3.32Å; L25-D29 WeakPolarHBondContact O-CB 3.46Å; L25-D29 PolarHBondContact O-N 2.83Å; L25-M175 HydrophobicContact CD2-CB 3.9Å; L25-M175 HydrophobicContact CD2-CG 3.87Å; L25-Y179 HydrophobicContact CD1-CD2 4.44Å; L25-Y179 HydrophobicContact CD1-CE2 4.16Å; L25-Y179 HydrophobicContact CD2-CE2 3.96Å; L25-Y179 HydrophobicContact CG-CE2 4.12Å |
| 26 | S | 98 | Very high | 97.7 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.6 | -33.7 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | K22 D23 Y24 D29 T30 G35 G38 N39 | K22-S26 WeakPolarHBondContact O-CB 3.36Å; K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.06Å; D23-S26 CarbonylContact O-C 3.6Å; D23-S26 WeakPolarHBondContact O-CB 3.28Å; D23-S26 PolarHBondContact O-N 3.4Å; D23-S26 VanDerWaalsContact O-N 3.15Å; Y24-S26 VanDerWaalsContact C-N 3.25Å; Y24-S26 PolarHBondContact O-N 3.06Å; S26-D29 PolarHBondContact O-N 3.29Å; S26-T30 PolarHBondContact O-N 3.2Å; S26-T30 PolarHBondContact O-OG1 2.9Å; S26-G35 WeakPolarHBondContact CB-O 3.45Å; S26-G35 WeakPolarHBondContact O-CA 3.1Å; S26-G38 WeakPolarHBondContact OG-CA 3.44Å; S26-G38 PolarHBondContact OG-N 3.28Å; S26-N39 PolarHBondContact OG-N 3.06Å |
| 27 | E | 98.3 | Very high | 97.7 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 62% | 0.621 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.4 | -46.1 | 171.4 | -174.3 | -171.6 | 159.3 | 0 | 0 | 111.2 | D23 Y24 D29 T30 P31 | D23-E27 PolarHBondContact O-N 3.22Å; Y24-E27 WeakPolarHBondContact O-CB 3.43Å; Y24-E27 PolarHBondContact O-N 3.29Å; Y24-E27 VanDerWaalsContact O-N 3.16Å; E27-D29 VanDerWaalsContact C-N 3.25Å; E27-D29 PolarHBondContact O-N 3.2Å; E27-T30 WeakPolarHBondContact O-CB 3.47Å; E27-T30 PolarHBondContact O-N 2.94Å; E27-P31 WeakPolarHBondContact O-CD 3.4Å |
| 28 | L | 98.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -36.5 | 175 | -70.1 | -175.1 | 0 | 0 | 0 | 112.7 | Y24 P31 I170 P172 M175 | Y24-L28 HydrophobicContact CD1-CD1 4.26Å; Y24-L28 HydrophobicContact CD2-CG 4.48Å; Y24-L28 HydrophobicContact CE1-CD1 3.66Å; Y24-L28 HydrophobicContact CE1-CG 4.13Å; Y24-L28 HydrophobicContact CE2-CD1 4.44Å; Y24-L28 HydrophobicContact CE2-CD2 3.94Å; Y24-L28 HydrophobicContact CE2-CG 4.05Å; Y24-L28 WeakPolarHBondContact O-CG 3.41Å; Y24-L28 PolarHBondContact O-N 3.07Å; L28-P31 WeakPolarHBondContact O-CD 3.41Å; L28-I170 HydrophobicContact CD1-CB 4.23Å; L28-I170 HydrophobicContact CD1-CG2 3.95Å; L28-I170 HydrophobicContact CD2-CB 4.03Å; L28-I170 HydrophobicContact CD2-CD1 4.41Å; L28-P172 HydrophobicContact CB-CB 4.18Å; L28-M175 HydrophobicContact CD1-CB 3.77Å; L28-M175 HydrophobicContact CD1-CG 3.77Å |
| 29 | D | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.5 | -23.4 | -179.9 | -170.1 | 43.6 | 0 | 0 | 0 | 112.9 | L25 S26 E27 I32 G33 G35 D36 H37 P172 | L25-D29 WeakPolarHBondContact O-CB 3.46Å; L25-D29 PolarHBondContact O-N 2.83Å; S26-D29 PolarHBondContact O-N 3.29Å; E27-D29 VanDerWaalsContact C-N 3.25Å; E27-D29 PolarHBondContact O-N 3.2Å; D29-I32 CarbonylContact O-C 3.53Å; D29-I32 PolarHBondContact O-N 3.25Å; D29-G33 CarbonylContact O-C 3.35Å; D29-G33 WeakPolarHBondContact O-CA 2.98Å; D29-G33 PolarHBondContact O-N 3.4Å; D29-G35 WeakPolarHBondContact OD2-CA 3.42Å; D29-G35 PolarHBondContact OD2-N 3.37Å; D29-D36 PolarHBondContact OD2-N 3.07Å; D29-H37 HydrophobicContact CB-CB 3.84Å; D29-H37 PolarHBondContact OD2-N 3.31Å; D29-P172 HydrophobicContact CB-CB 4.06Å; D29-P172 HydrophobicContact CB-CG 3.82Å |
| 30 | T | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 56% | 0.564 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -48.1 | -178.3 | -64 | 0 | 0 | 0 | 0 | 114.6 | S26 E27 I32 | S26-T30 PolarHBondContact O-N 3.2Å; S26-T30 PolarHBondContact O-OG1 2.9Å; E27-T30 WeakPolarHBondContact O-CB 3.47Å; E27-T30 PolarHBondContact O-N 2.94Å; T30-I32 VanDerWaalsContact C-N 3.3Å; T30-I32 PolarHBondContact O-N 3.31Å |
| 31 | P | 97.5 | Very high | 97.8 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -20.7 | -178.2 | 26.9 | -35.2 | 0 | 0 | 0 | 114.1 | E27 L28 H169 | E27-P31 WeakPolarHBondContact O-CD 3.4Å; L28-P31 WeakPolarHBondContact O-CD 3.41Å; P31-H169 HydrophobicContact CG-CB 4.45Å; P31-H169 WeakPolarHBondContact CG-ND1 3.37Å |
| 32 | I | 97.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 15.9 | -172.2 | 64 | 172.5 | 0 | 0 | 0 | 113 | D29 T30 R158 A159 V162 H169 I170 | D29-I32 CarbonylContact O-C 3.53Å; D29-I32 PolarHBondContact O-N 3.25Å; T30-I32 VanDerWaalsContact C-N 3.3Å; T30-I32 PolarHBondContact O-N 3.31Å; I32-R158 CarbonylContact O-C 3.42Å; I32-A159 HydrophobicContact CB-CB 3.96Å; I32-A159 HydrophobicContact CD1-CB 4.17Å; I32-A159 HydrophobicContact CG1-CB 4.28Å; I32-A159 WeakPolarHBondContact O-CA 3.43Å; I32-A159 WeakPolarHBondContact O-CB 3.42Å; I32-A159 PolarHBondContact O-N 2.97Å; I32-V162 HydrophobicContact CB-CG2 4.36Å; I32-V162 HydrophobicContact CG2-CG2 4.17Å; I32-H169 HydrophobicContact CD1-CB 4.3Å; I32-H169 HydrophobicContact CG2-CB 3.76Å; I32-I170 WeakPolarHBondContact CD1-O 3.47Å |
| 33 | G | 96.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -164.1 | -150.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D29 | D29-G33 CarbonylContact O-C 3.35Å; D29-G33 WeakPolarHBondContact O-CA 2.98Å; D29-G33 PolarHBondContact O-N 3.4Å |
| 34 | D | 96.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | trans | -109.5 | 5.9 | 178.3 | 53.2 | -24.3 | 0 | 0 | 0 | 113.6 | D36 R158 | D34-D36 VanDerWaalsContact C-N 3.29Å; D34-D36 PolarHBondContact O-N 3.42Å; D34-R158 VanDerWaalsContact CG-CD 3.49Å; D34-R158 VanDerWaalsContact CG-CZ 3.48Å; D34-R158 WeakPolarHBondContact OD1-CD 3.34Å; D34-R158 IonicContact OD1-CZ 3.83Å; D34-R158 IonicContact OD1-NE 3.58Å; D34-R158 PolarHBondContact OD1-NE 3.04Å; D34-R158 VanDerWaalsContact OD1-NE 3.08Å; D34-R158 IonicContact OD2-CZ 3.36Å; D34-R158 IonicContact OD2-NE 2.84Å; D34-R158 PolarHBondContact OD2-NE 3.12Å; D34-R158 IonicContact OD2-NH1 2.65Å; D34-R158 IonicContact OD2-NH2 2.78Å; D34-R158 PolarHBondContact OD2-NH2 2.65Å | ||
| 35 | G | 97.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 70.2 | 26.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S26 D29 | S26-G35 WeakPolarHBondContact CB-O 3.45Å; S26-G35 WeakPolarHBondContact O-CA 3.1Å; D29-G35 WeakPolarHBondContact OD2-CA 3.42Å; D29-G35 PolarHBondContact OD2-N 3.37Å |
| 36 | D | 97.5 | Very high | 97.9 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | trans | -115.2 | -8 | -173.3 | 87.2 | -7.2 | 0 | 0 | 0 | 113.6 | D29 D34 G38 N39 N40 | D29-D36 PolarHBondContact OD2-N 3.07Å; D34-D36 VanDerWaalsContact C-N 3.29Å; D34-D36 PolarHBondContact O-N 3.42Å; D36-G38 PolarHBondContact O-N 3.41Å; D36-N39 PolarHBondContact O-N 3.17Å; D36-N40 WeakPolarHBondContact O-CB 3.5Å; D36-N40 PolarHBondContact O-N 3.16Å; D36-N40 PolarHBondContact OD1-ND2 3.22Å; D36-N40 PolarHBondContact OD2-ND2 2.85Å | ||
| 37 | H | 98.1 | Very high | 98 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | -172.6 | -176.2 | 78.2 | 0 | 0 | 0 | 113.2 | D29 N40 M41 P172 S176 | D29-H37 HydrophobicContact CB-CB 3.84Å; D29-H37 PolarHBondContact OD2-N 3.31Å; H37-N40 PolarHBondContact O-N 3.28Å; H37-M41 VanDerWaalsContact O-CG 3.31Å; H37-M41 WeakPolarHBondContact O-CG 3.45Å; H37-M41 PolarHBondContact O-N 3.48Å; H37-P172 HydrophobicContact CB-CB 4.09Å; H37-P172 HydrophobicContact CB-CG 4.41Å; H37-P172 PolarHBondContact NE2-O 3.48Å; H37-P172 VanDerWaalsContact NE2-O 3.09Å; H37-S176 WeakPolarHBondContact NE2-CB 3.42Å; H37-S176 PolarHBondContact NE2-OG 2.95Å |
| 38 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K22 S26 D36 N40 M41 A42 | K22-G38 VanDerWaalsContact O-CA 3.32Å; K22-G38 WeakPolarHBondContact O-CA 3.17Å; S26-G38 WeakPolarHBondContact OG-CA 3.44Å; S26-G38 PolarHBondContact OG-N 3.28Å; D36-G38 PolarHBondContact O-N 3.41Å; G38-N40 VanDerWaalsContact C-N 3.32Å; G38-N40 PolarHBondContact O-N 3.13Å; G38-M41 PolarHBondContact O-N 3.12Å; G38-A42 WeakPolarHBondContact O-CB 3.33Å; G38-A42 PolarHBondContact O-N 2.96Å |
| 39 | N | 98.1 | Very high | 98 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 40% | 0.401 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 174.7 | -74.2 | -49.3 | 0 | 0 | 0 | 112.6 | S26 D36 R43 | S26-N39 PolarHBondContact OG-N 3.06Å; D36-N39 PolarHBondContact O-N 3.17Å; N39-R43 WeakPolarHBondContact O-CG 3.46Å; N39-R43 PolarHBondContact O-N 3.28Å |
| 40 | N | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 173.7 | -78.9 | -24 | 0 | 0 | 0 | 111.8 | D36 H37 G38 R43 G44 V72 G73 | D36-N40 WeakPolarHBondContact O-CB 3.5Å; D36-N40 PolarHBondContact O-N 3.16Å; D36-N40 PolarHBondContact OD1-ND2 3.22Å; D36-N40 PolarHBondContact OD2-ND2 2.85Å; H37-N40 PolarHBondContact O-N 3.28Å; G38-N40 VanDerWaalsContact C-N 3.32Å; G38-N40 PolarHBondContact O-N 3.13Å; N40-R43 PolarHBondContact OD1-NH2 3.1Å; N40-G44 PolarHBondContact O-N 2.84Å; N40-V72 HydrophobicContact CB-CG1 4.19Å; N40-G73 PolarHBondContact ND2-O 2.87Å |
| 41 | M | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.3 | -71.1 | -58.3 | -63.1 | 0 | 0 | 112 | F14 I18 H37 G38 G44 M45 V72 Y80 | F14-M41 HydrophobicContact CE1-CE 4.12Å; F14-M41 HydrophobicContact CZ-CE 3.68Å; I18-M41 HydrophobicContact CD1-CB 4.11Å; I18-M41 HydrophobicContact CD1-CE 4.39Å; I18-M41 HydrophobicContact CG2-CB 3.84Å; H37-M41 VanDerWaalsContact O-CG 3.31Å; H37-M41 WeakPolarHBondContact O-CG 3.45Å; H37-M41 PolarHBondContact O-N 3.48Å; G38-M41 PolarHBondContact O-N 3.12Å; M41-G44 WeakPolarHBondContact O-CA 3.22Å; M41-G44 PolarHBondContact O-N 2.85Å; M41-G44 VanDerWaalsContact O-N 3.14Å; M41-M45 PolarHBondContact O-N 2.87Å; M41-V72 HydrophobicContact SD-CG1 3.99Å; M41-Y80 HydrophobicContact CE-CD2 3.69Å; M41-Y80 HydrophobicContact CE-CE2 3.42Å; M41-Y80 VanDerWaalsContact CE-CE2 3.42Å; M41-Y80 HydrophobicContact CE-CG 4.4Å; M41-Y80 HydrophobicContact SD-CD2 3.65Å; M41-Y80 HydrophobicContact SD-CE2 3.55Å; M41-Y80 VanDerWaalsContact SD-CE2 3.55Å |
| 42 | A | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I18 Q19 K22 G38 G44 M45 D46 | I18-A42 HydrophobicContact CG2-CB 4.14Å; Q19-A42 PolarHBondContact NE2-O 2.79Å; Q19-A42 VanDerWaalsContact NE2-O 3.16Å; K22-A42 HydrophobicContact CB-CB 4.03Å; K22-A42 HydrophobicContact CD-CB 3.88Å; G38-A42 WeakPolarHBondContact O-CB 3.33Å; G38-A42 PolarHBondContact O-N 2.96Å; A42-G44 PolarHBondContact O-N 2.79Å; A42-M45 PolarHBondContact O-N 3.39Å; A42-D46 PolarHBondContact O-N 3.29Å |
| 43 | R | 98.3 | Very high | 98 | Very high | 144 Ų | 144 | 39.4 Ų | 39.4 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -35.5 | 175.2 | -70.6 | -171.5 | -60.9 | 170.7 | -0.1 | 112.8 | N39 N40 A47 | N39-R43 WeakPolarHBondContact O-CG 3.46Å; N39-R43 PolarHBondContact O-N 3.28Å; N40-R43 PolarHBondContact OD1-NH2 3.1Å; R43-A47 PolarHBondContact O-N 2.88Å |
| 44 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N40 M41 A42 A47 V48 V72 | N40-G44 PolarHBondContact O-N 2.84Å; M41-G44 WeakPolarHBondContact O-CA 3.22Å; M41-G44 PolarHBondContact O-N 2.85Å; M41-G44 VanDerWaalsContact O-N 3.14Å; A42-G44 PolarHBondContact O-N 2.79Å; G44-A47 WeakPolarHBondContact O-CA 3.26Å; G44-A47 WeakPolarHBondContact O-CB 3.3Å; G44-A47 PolarHBondContact O-N 3.29Å; G44-A47 VanDerWaalsContact O-N 3.11Å; G44-V48 WeakPolarHBondContact O-CG2 3.19Å; G44-V48 PolarHBondContact O-N 3.17Å; G44-V72 VanDerWaalsContact CA-CG2 3.41Å |
| 45 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | -177.9 | -71.9 | -54.2 | -58.1 | 0 | 0 | 112.3 | L11 F14 N15 I18 M41 A42 A47 V48 M49 M68 | L11-M45 VanDerWaalsContact O-CE 3.26Å; L11-M45 WeakPolarHBondContact O-CE 3.41Å; F14-M45 HydrophobicContact CB-CE 4.36Å; F14-M45 HydrophobicContact CD1-CE 3.67Å; F14-M45 HydrophobicContact CD1-CG 4.37Å; F14-M45 HydrophobicContact CD1-SD 3.55Å; F14-M45 VanDerWaalsContact CD1-SD 3.55Å; F14-M45 HydrophobicContact CE1-CE 4.39Å; F14-M45 HydrophobicContact CE1-CG 4.31Å; F14-M45 HydrophobicContact CE1-SD 3.65Å; F14-M45 HydrophobicContact CG-CE 4.3Å; N15-M45 HydrophobicContact CB-CB 4.03Å; N15-M45 HydrophobicContact CB-CE 3.74Å; N15-M45 WeakPolarHBondContact OD1-CB 3.22Å; I18-M45 HydrophobicContact CB-CG 4.3Å; I18-M45 HydrophobicContact CG1-CG 4.2Å; I18-M45 HydrophobicContact CG2-CB 4.47Å; I18-M45 HydrophobicContact CG2-CG 4.24Å; M41-M45 PolarHBondContact O-N 2.87Å; A42-M45 PolarHBondContact O-N 3.39Å; M45-A47 PolarHBondContact O-N 3.46Å; M45-V48 HydrophobicContact CE-CB 4.26Å; M45-V48 HydrophobicContact CE-CG1 4.29Å; M45-V48 WeakPolarHBondContact O-CB 3.44Å; M45-V48 PolarHBondContact O-N 3.48Å; M45-V48 VanDerWaalsContact O-N 3.09Å; M45-V48 HydrophobicContact SD-CB 4.39Å; M45-V48 HydrophobicContact SD-CG2 4.14Å; M45-M49 HydrophobicContact CE-CE 4.2Å; M45-M49 WeakPolarHBondContact O-CG 3.13Å; M45-M49 PolarHBondContact O-N 3.42Å; M45-M68 HydrophobicContact SD-CE 3.49Å; M45-M68 WeakPolarHBondContact SD-CE 3.48Å |
| 46 | D | 98.7 | Very high | 98.1 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.9 | -41.6 | 168 | -73.8 | -25.4 | 0 | 0 | 0 | 111.4 | Q19 A42 M49 A50 | Q19-D46 PolarHBondContact NE2-OD1 2.84Å; A42-D46 PolarHBondContact O-N 3.29Å; D46-M49 PolarHBondContact O-N 3.03Å; D46-A50 WeakPolarHBondContact O-CB 3.48Å; D46-A50 PolarHBondContact O-N 3.19Å |
| 47 | A | 98.6 | Very high | 98.1 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71 | -32.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R43 G44 M45 A51 A67 K71 | R43-A47 PolarHBondContact O-N 2.88Å; G44-A47 WeakPolarHBondContact O-CA 3.26Å; G44-A47 WeakPolarHBondContact O-CB 3.3Å; G44-A47 PolarHBondContact O-N 3.29Å; G44-A47 VanDerWaalsContact O-N 3.11Å; M45-A47 PolarHBondContact O-N 3.46Å; A47-A51 PolarHBondContact O-N 3.3Å; A47-A67 HydrophobicContact CB-CB 4.11Å; A47-K71 HydrophobicContact CB-CB 3.72Å; A47-K71 HydrophobicContact CB-CG 3.5Å; A47-K71 VanDerWaalsContact CB-CG 3.5Å |
| 48 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 173 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | L11 G44 M45 A50 A51 L53 A64 A67 M68 | L11-V48 HydrophobicContact CD1-CG1 4.25Å; L11-V48 HydrophobicContact CD2-CG1 4.42Å; G44-V48 WeakPolarHBondContact O-CG2 3.19Å; G44-V48 PolarHBondContact O-N 3.17Å; M45-V48 HydrophobicContact CE-CB 4.26Å; M45-V48 HydrophobicContact CE-CG1 4.29Å; M45-V48 WeakPolarHBondContact O-CB 3.44Å; M45-V48 PolarHBondContact O-N 3.48Å; M45-V48 VanDerWaalsContact O-N 3.09Å; M45-V48 HydrophobicContact SD-CB 4.39Å; M45-V48 HydrophobicContact SD-CG2 4.14Å; V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.5Å; V48-A51 WeakPolarHBondContact O-CB 3.17Å; V48-A51 PolarHBondContact O-N 3.28Å; V48-A51 VanDerWaalsContact O-N 3.11Å; V48-L53 HydrophobicContact CG1-CD1 4.37Å; V48-L53 HydrophobicContact CG1-CD2 4.36Å; V48-A64 HydrophobicContact CG1-CB 3.93Å; V48-A67 HydrophobicContact CB-CB 4.38Å; V48-A67 HydrophobicContact CG2-CB 3.77Å; V48-M68 HydrophobicContact CG2-CE 4.02Å; V48-M68 HydrophobicContact CG2-CG 3.75Å |
| 49 | M | 98.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 30% | 0.296 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.2 | -27 | 178 | -64.9 | -60.1 | 95 | 0 | 0 | 113.1 | L11 E12 N15 M45 D46 A51 L53 | L11-M49 HydrophobicContact CB-CE 3.8Å; L11-M49 WeakPolarHBondContact O-CE 3.45Å; E12-M49 HydrophobicContact CG-SD 4.21Å; N15-M49 HydrophobicContact CB-CE 4.38Å; N15-M49 HydrophobicContact CB-CG 3.76Å; N15-M49 HydrophobicContact CB-SD 3.95Å; N15-M49 WeakPolarHBondContact ND2-CG 3.5Å; M45-M49 HydrophobicContact CE-CE 4.2Å; M45-M49 WeakPolarHBondContact O-CG 3.13Å; M45-M49 PolarHBondContact O-N 3.42Å; D46-M49 PolarHBondContact O-N 3.03Å; M49-A51 VanDerWaalsContact C-N 3.33Å; M49-L53 HydrophobicContact CE-CD1 3.9Å |
| 50 | A | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 74% | 0.736 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -8.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D46 V48 | D46-A50 WeakPolarHBondContact O-CB 3.48Å; D46-A50 PolarHBondContact O-N 3.19Å; V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.5Å |
| 51 | A | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -80.3 | 160.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A47 V48 M49 L53 A63 | A47-A51 PolarHBondContact O-N 3.3Å; V48-A51 WeakPolarHBondContact O-CB 3.17Å; V48-A51 PolarHBondContact O-N 3.28Å; V48-A51 VanDerWaalsContact O-N 3.11Å; M49-A51 VanDerWaalsContact C-N 3.33Å; A51-L53 HydrophobicContact CB-CD2 4.44Å; A51-L53 PolarHBondContact O-N 3.16Å; A51-L53 VanDerWaalsContact O-N 3.11Å; A51-A63 HydrophobicContact CB-CB 4.32Å |
| 52 | D | 98.1 | Very high | 98.2 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | trans | -74.4 | 101.2 | 170.2 | -175.4 | 4.8 | 0 | 0 | 0 | 109.7 | S54 A63 | D52-S54 VanDerWaalsContact C-N 3.3Å; D52-S54 VanDerWaalsContact CG-OG 3.29Å; D52-S54 WeakPolarHBondContact OD1-CB 3.41Å; D52-S54 PolarHBondContact OD1-N 3.31Å; D52-S54 PolarHBondContact OD1-OG 2.95Å; D52-S54 PolarHBondContact OD2-OG 3.35Å; D52-A63 VanDerWaalsContact O-CB 3.26Å; D52-A63 WeakPolarHBondContact O-CB 3.47Å | ||
| 53 | L | 97.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -95.9 | 24.7 | 175.3 | -55.4 | 179.1 | 0 | 0 | 0 | 111.9 | R8 L11 V48 M49 A51 I60 A63 | R8-L53 WeakPolarHBondContact CD-O 3.34Å; R8-L53 HydrophobicContact CG-CB 4.15Å; R8-L53 PolarHBondContact NH1-O 2.91Å; L11-L53 HydrophobicContact CD1-CD1 4.22Å; L11-L53 HydrophobicContact CD1-CD2 4.3Å; V48-L53 HydrophobicContact CG1-CD1 4.37Å; V48-L53 HydrophobicContact CG1-CD2 4.36Å; M49-L53 HydrophobicContact CE-CD1 3.9Å; A51-L53 HydrophobicContact CB-CD2 4.44Å; A51-L53 PolarHBondContact O-N 3.16Å; A51-L53 VanDerWaalsContact O-N 3.11Å; L53-I60 HydrophobicContact CB-CG2 4.41Å; L53-I60 HydrophobicContact CD2-CG2 4.16Å; L53-I60 WeakPolarHBondContact O-CG1 3.49Å; L53-A63 HydrophobicContact CD2-CB 4Å | ||
| 54 | S | 95.9 | Very high | 98.2 | Very high | 68 Ų | 68 | 41 Ų | 41 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | trans | -80.2 | 173.8 | 168.9 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | D52 | D52-S54 VanDerWaalsContact C-N 3.3Å; D52-S54 VanDerWaalsContact CG-OG 3.29Å; D52-S54 WeakPolarHBondContact OD1-CB 3.41Å; D52-S54 PolarHBondContact OD1-N 3.31Å; D52-S54 PolarHBondContact OD1-OG 2.95Å; D52-S54 PolarHBondContact OD2-OG 3.35Å | ||
| 55 | G | 96.9 | Very high | 98.3 | Very high | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 88.8 | -159.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 56 | D | 97.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -88.9 | -175.9 | -177.7 | 70.8 | 13.1 | 0 | 0 | 0 | 112.6 | P58 D59 I60 | D56-P58 WeakPolarHBondContact OD1-CD 3.36Å; D56-D59 PolarHBondContact N-OD2 2.98Å; D56-D59 PolarHBondContact O-N 3.25Å; D56-D59 PolarHBondContact OD1-N 3.33Å; D56-D59 VanDerWaalsContact OD1-N 3.08Å; D56-I60 WeakPolarHBondContact O-CD1 3.5Å; D56-I60 VanDerWaalsContact O-CG1 3.26Å; D56-I60 WeakPolarHBondContact O-CG1 3.47Å; D56-I60 PolarHBondContact O-N 3.01Å; D56-I60 VanDerWaalsContact O-N 3.12Å |
| 57 | L | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -52 | -179.5 | -78.4 | 176.2 | 0 | 0 | 0 | 112.8 | F2 T3 L7 D59 I60 F61 N95 | F2-L57 HydrophobicContact CB-CD1 4.08Å; F2-L57 HydrophobicContact CB-CD2 4.04Å; T3-L57 WeakPolarHBondContact O-CD2 3.41Å; L7-L57 HydrophobicContact CB-CD2 4.11Å; L7-L57 HydrophobicContact CD2-CD2 3.68Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 3.08Å; L57-I60 PolarHBondContact O-N 3.22Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.41Å; L57-F61 HydrophobicContact CD2-CE2 4.15Å; L57-F61 VanDerWaalsContact O-CD2 3.22Å; L57-F61 WeakPolarHBondContact O-CD2 3.35Å; L57-F61 PolarHBondContact O-N 3.33Å; L57-N95 HydrophobicContact CD1-CB 3.82Å |
| 58 | P | 98.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.5 | -43.6 | 173.7 | -28.4 | 29.8 | 0 | 0 | 0 | 114.6 | D56 K62 M88 S91 K92 | D56-P58 WeakPolarHBondContact OD1-CD 3.36Å; P58-K62 WeakPolarHBondContact O-CB 3.5Å; P58-K62 PolarHBondContact O-N 3.12Å; P58-M88 HydrophobicContact CB-CG 4.19Å; P58-M88 WeakPolarHBondContact O-CG 3.41Å; P58-S91 WeakPolarHBondContact CD-OG 3.45Å; P58-S91 WeakPolarHBondContact CG-OG 3.43Å; P58-K92 HydrophobicContact CB-CG 4.4Å; P58-K92 HydrophobicContact CG-CG 3.86Å |
| 59 | D | 98.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 46.6 Ų | 46.6 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | -179.3 | -68.1 | -37 | 0 | 0 | 0 | 111.6 | D56 L57 K62 A63 | D56-D59 PolarHBondContact N-OD2 2.98Å; D56-D59 PolarHBondContact O-N 3.25Å; D56-D59 PolarHBondContact OD1-N 3.33Å; D56-D59 VanDerWaalsContact OD1-N 3.08Å; L57-D59 VanDerWaalsContact C-N 3.29Å; L57-D59 PolarHBondContact O-N 3.08Å; D59-K62 WeakPolarHBondContact O-CB 3.48Å; D59-K62 PolarHBondContact O-N 3.28Å; D59-A63 PolarHBondContact O-N 3.03Å |
| 60 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -46.8 | -177.8 | -60.8 | 162.5 | 0 | 0 | 0 | 111 | P4 L7 R8 L11 L53 D56 L57 K62 A63 A64 | P4-I60 HydrophobicContact CB-CD1 3.67Å; P4-I60 HydrophobicContact CG-CD1 4.48Å; L7-I60 HydrophobicContact CD2-CB 3.81Å; L7-I60 HydrophobicContact CD2-CG2 3.52Å; L7-I60 HydrophobicContact CG-CG2 3.77Å; R8-I60 HydrophobicContact CG-CD1 4.39Å; L11-I60 HydrophobicContact CD1-CG2 3.91Å; L53-I60 HydrophobicContact CB-CG2 4.41Å; L53-I60 HydrophobicContact CD2-CG2 4.16Å; L53-I60 WeakPolarHBondContact O-CG1 3.49Å; D56-I60 WeakPolarHBondContact O-CD1 3.5Å; D56-I60 VanDerWaalsContact O-CG1 3.26Å; D56-I60 WeakPolarHBondContact O-CG1 3.47Å; D56-I60 PolarHBondContact O-N 3.01Å; D56-I60 VanDerWaalsContact O-N 3.12Å; L57-I60 PolarHBondContact O-N 3.22Å; I60-K62 VanDerWaalsContact C-N 3.28Å; I60-K62 PolarHBondContact O-N 2.98Å; I60-A63 PolarHBondContact O-N 2.97Å; I60-A64 WeakPolarHBondContact O-CB 3.26Å; I60-A64 PolarHBondContact O-N 2.88Å |
| 61 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.7 | -78.8 | -57.5 | 0 | 0 | 0 | 111.6 | F2 L7 L57 A65 M84 M87 M88 L100 | F2-F61 HydrophobicContact CD1-CZ 4.49Å; L7-F61 HydrophobicContact CD1-CD1 4.21Å; L7-F61 HydrophobicContact CD1-CE1 3.56Å; L7-F61 HydrophobicContact CD1-CZ 3.89Å; L7-F61 HydrophobicContact CD2-CD1 3.87Å; L7-F61 HydrophobicContact CD2-CD2 3.89Å; L7-F61 HydrophobicContact CD2-CE1 3.73Å; L7-F61 HydrophobicContact CD2-CE2 3.75Å; L7-F61 HydrophobicContact CD2-CG 3.93Å; L7-F61 HydrophobicContact CD2-CZ 3.66Å; L7-F61 HydrophobicContact CG-CE1 4.32Å; L7-F61 HydrophobicContact CG-CZ 4.42Å; L57-F61 HydrophobicContact CB-CD2 4.43Å; L57-F61 HydrophobicContact CB-CE2 4.41Å; L57-F61 HydrophobicContact CD2-CE2 4.15Å; L57-F61 VanDerWaalsContact O-CD2 3.22Å; L57-F61 WeakPolarHBondContact O-CD2 3.35Å; L57-F61 PolarHBondContact O-N 3.33Å; F61-A65 WeakPolarHBondContact O-CB 3.44Å; F61-A65 PolarHBondContact O-N 2.96Å; F61-M84 HydrophobicContact CD1-SD 3.8Å; F61-M84 HydrophobicContact CE1-SD 4.15Å; F61-M87 HydrophobicContact CD1-CB 3.88Å; F61-M87 HydrophobicContact CD1-CE 4.42Å; F61-M87 HydrophobicContact CD2-CB 4.26Å; F61-M87 HydrophobicContact CE1-CB 3.77Å; F61-M87 HydrophobicContact CE1-CE 4.02Å; F61-M87 HydrophobicContact CE1-CG 4.44Å; F61-M87 HydrophobicContact CE1-SD 3.96Å; F61-M87 HydrophobicContact CE2-CB 4.16Å; F61-M87 HydrophobicContact CG-CB 4.14Å; F61-M87 HydrophobicContact CZ-CB 3.92Å; F61-M87 HydrophobicContact CZ-SD 4.29Å; F61-M88 HydrophobicContact CB-CB 3.57Å; F61-M88 HydrophobicContact CB-CG 4.34Å; F61-L100 HydrophobicContact CE2-CD2 3.84Å; F61-L100 HydrophobicContact CZ-CD2 4.08Å |
| 62 | K | 98.7 | Very high | 97.7 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.8 | -173.1 | -179.6 | 176.6 | -171.8 | 0 | 111.6 | P58 D59 I60 A65 M66 M88 | P58-K62 WeakPolarHBondContact O-CB 3.5Å; P58-K62 PolarHBondContact O-N 3.12Å; D59-K62 WeakPolarHBondContact O-CB 3.48Å; D59-K62 PolarHBondContact O-N 3.28Å; I60-K62 VanDerWaalsContact C-N 3.28Å; I60-K62 PolarHBondContact O-N 2.98Å; K62-A65 PolarHBondContact O-N 3.5Å; K62-M66 HydrophobicContact CG-SD 4.27Å; K62-M66 WeakPolarHBondContact O-CG 3.38Å; K62-M66 PolarHBondContact O-N 3.39Å; K62-M88 HydrophobicContact CB-CG 4.09Å |
| 63 | A | 98.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A51 D52 L53 D59 I60 A65 M66 A67 | A51-A63 HydrophobicContact CB-CB 4.32Å; D52-A63 VanDerWaalsContact O-CB 3.26Å; D52-A63 WeakPolarHBondContact O-CB 3.47Å; L53-A63 HydrophobicContact CD2-CB 4Å; D59-A63 PolarHBondContact O-N 3.03Å; I60-A63 PolarHBondContact O-N 2.97Å; A63-A65 PolarHBondContact O-N 3.33Å; A63-M66 PolarHBondContact O-N 3.44Å; A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 2.59Å |
| 64 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L11 V48 I60 M66 A67 M68 | L11-A64 HydrophobicContact CD1-CB 4.07Å; L11-A64 HydrophobicContact CD2-CB 4.45Å; V48-A64 HydrophobicContact CG1-CB 3.93Å; I60-A64 WeakPolarHBondContact O-CB 3.26Å; I60-A64 PolarHBondContact O-N 2.88Å; A64-M66 PolarHBondContact O-N 2.69Å; A64-A67 PolarHBondContact O-N 2.97Å; A64-M68 WeakPolarHBondContact O-CB 3.15Å; A64-M68 VanDerWaalsContact O-CG 3.32Å; A64-M68 WeakPolarHBondContact O-CG 3.42Å; A64-M68 PolarHBondContact O-N 3.31Å |
| 65 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F61 K62 A63 A67 M68 I69 M84 M85 | F61-A65 WeakPolarHBondContact O-CB 3.44Å; F61-A65 PolarHBondContact O-N 2.96Å; K62-A65 PolarHBondContact O-N 3.5Å; A63-A65 PolarHBondContact O-N 3.33Å; A65-A67 PolarHBondContact O-N 3.09Å; A65-M68 PolarHBondContact O-N 3.39Å; A65-I69 WeakPolarHBondContact O-CB 3.3Å; A65-I69 VanDerWaalsContact O-CG1 3.22Å; A65-I69 WeakPolarHBondContact O-CG1 3.36Å; A65-I69 PolarHBondContact O-N 2.91Å; A65-M84 HydrophobicContact CB-CB 3.58Å; A65-M85 HydrophobicContact CB-CG 3.7Å; A65-M85 HydrophobicContact CB-SD 3.75Å |
| 66 | M | 98.3 | Very high | 96.6 | Very high | 117 Ų | 117 | 42.9 Ų | 42.9 | 58% | 0.576 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | -178.8 | -71.7 | -172.9 | 72.6 | 0 | 0 | 111.6 | K62 A63 A64 S70 | K62-M66 HydrophobicContact CG-SD 4.27Å; K62-M66 WeakPolarHBondContact O-CG 3.38Å; K62-M66 PolarHBondContact O-N 3.39Å; A63-M66 PolarHBondContact O-N 3.44Å; A64-M66 PolarHBondContact O-N 2.69Å; M66-S70 VanDerWaalsContact O-CB 3.3Å; M66-S70 WeakPolarHBondContact O-CB 3.41Å; M66-S70 PolarHBondContact O-N 3.1Å; M66-S70 VanDerWaalsContact O-N 3.07Å |
| 67 | A | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A47 V48 A63 A64 A65 S70 K71 | A47-A67 HydrophobicContact CB-CB 4.11Å; V48-A67 HydrophobicContact CB-CB 4.38Å; V48-A67 HydrophobicContact CG2-CB 3.77Å; A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 2.59Å; A64-A67 PolarHBondContact O-N 2.97Å; A65-A67 PolarHBondContact O-N 3.09Å; A67-S70 PolarHBondContact O-N 3.11Å; A67-K71 WeakPolarHBondContact O-CB 3.13Å; A67-K71 PolarHBondContact O-N 3.32Å |
| 68 | M | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 179.5 | -71.6 | 178.6 | 175.7 | 0 | 0 | 112.3 | F14 M45 V48 A64 A65 S70 K71 V72 M84 | F14-M68 HydrophobicContact CE1-CE 4.26Å; M45-M68 HydrophobicContact SD-CE 3.49Å; M45-M68 WeakPolarHBondContact SD-CE 3.48Å; V48-M68 HydrophobicContact CG2-CE 4.02Å; V48-M68 HydrophobicContact CG2-CG 3.75Å; A64-M68 WeakPolarHBondContact O-CB 3.15Å; A64-M68 VanDerWaalsContact O-CG 3.32Å; A64-M68 WeakPolarHBondContact O-CG 3.42Å; A64-M68 PolarHBondContact O-N 3.31Å; A65-M68 PolarHBondContact O-N 3.39Å; M68-S70 PolarHBondContact O-N 3.3Å; M68-K71 PolarHBondContact O-N 2.98Å; M68-V72 HydrophobicContact CB-CG2 4.13Å; M68-V72 HydrophobicContact CG-CG2 4.32Å; M68-V72 VanDerWaalsContact O-CB 3.28Å; M68-V72 WeakPolarHBondContact O-CB 3.3Å; M68-V72 WeakPolarHBondContact O-CG2 3.41Å; M68-V72 PolarHBondContact O-N 2.93Å; M68-M84 HydrophobicContact CE-CE 4.16Å; M68-M84 HydrophobicContact SD-CG 3.93Å |
| 69 | I | 97.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 41.4 Ų | 41.4 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -37.1 | 177.5 | -67.7 | 168.5 | 0 | 0 | 0 | 111.1 | A65 M85 | A65-I69 WeakPolarHBondContact O-CB 3.3Å; A65-I69 VanDerWaalsContact O-CG1 3.22Å; A65-I69 WeakPolarHBondContact O-CG1 3.36Å; A65-I69 PolarHBondContact O-N 2.91Å; I69-M85 HydrophobicContact CD1-CG 4.38Å |
| 70 | S | 96.8 | Very high | 96.4 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -80.1 | -29.6 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 113.9 | M66 A67 M68 | M66-S70 VanDerWaalsContact O-CB 3.3Å; M66-S70 WeakPolarHBondContact O-CB 3.41Å; M66-S70 PolarHBondContact O-N 3.1Å; M66-S70 VanDerWaalsContact O-N 3.07Å; A67-S70 PolarHBondContact O-N 3.11Å; M68-S70 PolarHBondContact O-N 3.3Å |
| 71 | K | 97.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 37.5 Ų | 37.5 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -124.7 | -22 | -164.1 | -62.9 | -64.9 | -176.3 | 179.6 | 0 | 115.1 | A47 A67 M68 G73 | A47-K71 HydrophobicContact CB-CB 3.72Å; A47-K71 HydrophobicContact CB-CG 3.5Å; A47-K71 VanDerWaalsContact CB-CG 3.5Å; A67-K71 WeakPolarHBondContact O-CB 3.13Å; A67-K71 PolarHBondContact O-N 3.32Å; M68-K71 PolarHBondContact O-N 2.98Å; K71-G73 PolarHBondContact O-N 2.8Å |
| 72 | V | 92.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | trans | -79.5 | 117.6 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | N40 M41 G44 M68 S76 G77 | N40-V72 HydrophobicContact CB-CG1 4.19Å; M41-V72 HydrophobicContact SD-CG1 3.99Å; G44-V72 VanDerWaalsContact CA-CG2 3.41Å; M68-V72 HydrophobicContact CB-CG2 4.13Å; M68-V72 HydrophobicContact CG-CG2 4.32Å; M68-V72 VanDerWaalsContact O-CB 3.28Å; M68-V72 WeakPolarHBondContact O-CB 3.3Å; M68-V72 WeakPolarHBondContact O-CG2 3.41Å; M68-V72 PolarHBondContact O-N 2.93Å; V72-S76 VanDerWaalsContact CG1-OG 3.27Å; V72-S76 WeakPolarHBondContact CG1-OG 3.31Å; V72-G77 VanDerWaalsContact CG1-CA 3.42Å; V72-G77 VanDerWaalsContact CG1-N 3.26Å | ||
| 73 | G | 88.4 | Confident | 96.4 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | trans | -72.5 | 172 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N40 K71 S76 | N40-G73 PolarHBondContact ND2-O 2.87Å; K71-G73 PolarHBondContact O-N 2.8Å; G73-S76 PolarHBondContact O-OG 2.99Å | ||
| 74 | G | 91.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 46% | 0.464 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -158.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P78 | G74-P78 VanDerWaalsContact O-CD 3.24Å; G74-P78 WeakPolarHBondContact O-CD 3.45Å |
| 75 | A | 92.7 | Very high | 96.4 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 53% | 0.529 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G77 P78 L79 | A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 3.36Å; A75-P78 WeakPolarHBondContact O-CD 3.31Å; A75-L79 HydrophobicContact CB-CD1 4.43Å; A75-L79 WeakPolarHBondContact O-CD1 3.24Å; A75-L79 WeakPolarHBondContact O-CG 3.26Å; A75-L79 PolarHBondContact O-N 3.14Å |
| 76 | S | 92.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -34.7 | -175.3 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | V72 G73 L79 Y80 | V72-S76 VanDerWaalsContact CG1-OG 3.27Å; V72-S76 WeakPolarHBondContact CG1-OG 3.31Å; G73-S76 PolarHBondContact O-OG 2.99Å; S76-L79 PolarHBondContact O-N 3.42Å; S76-Y80 WeakPolarHBondContact O-CD2 3.42Å; S76-Y80 PolarHBondContact O-N 2.77Å |
| 77 | G | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -55.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | V72 A75 L79 G81 | V72-G77 VanDerWaalsContact CG1-CA 3.42Å; V72-G77 VanDerWaalsContact CG1-N 3.26Å; A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 3.36Å; G77-L79 PolarHBondContact O-N 2.92Å; G77-G81 WeakPolarHBondContact O-CA 3.33Å; G77-G81 PolarHBondContact O-N 3.2Å |
| 78 | P | 96.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.4 | -33.5 | 173.3 | -27.7 | 35.3 | 0 | 0 | 0 | 113.9 | G74 A75 T82 R111 | G74-P78 VanDerWaalsContact O-CD 3.24Å; G74-P78 WeakPolarHBondContact O-CD 3.45Å; A75-P78 WeakPolarHBondContact O-CD 3.31Å; P78-T82 WeakPolarHBondContact O-CB 3.44Å; P78-T82 PolarHBondContact O-N 2.84Å; P78-T82 PolarHBondContact O-OG1 3.26Å; P78-R111 HydrophobicContact CB-CG 4.38Å |
| 79 | L | 98.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.1 | -55.8 | -177.6 | -64.9 | 171.4 | 0 | 0 | 0 | 112 | A75 S76 G77 G81 T82 A83 I108 R111 M121 | A75-L79 HydrophobicContact CB-CD1 4.43Å; A75-L79 WeakPolarHBondContact O-CD1 3.24Å; A75-L79 WeakPolarHBondContact O-CG 3.26Å; A75-L79 PolarHBondContact O-N 3.14Å; S76-L79 PolarHBondContact O-N 3.42Å; G77-L79 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.1Å; L79-T82 PolarHBondContact O-N 2.91Å; L79-T82 VanDerWaalsContact O-N 3.15Å; L79-A83 PolarHBondContact O-N 3.22Å; L79-I108 HydrophobicContact CD2-CG2 4.04Å; L79-R111 HydrophobicContact CD2-CB 4.2Å; L79-R111 HydrophobicContact CD2-CG 3.9Å; L79-M121 HydrophobicContact CB-SD 3.77Å; L79-M121 HydrophobicContact CD1-SD 4.13Å |
| 80 | Y | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 174.5 | -80.5 | -69.2 | 0 | 0 | 0 | 111.8 | M41 S76 T82 A83 M84 M121 W125 S176 S177 | M41-Y80 HydrophobicContact CE-CD2 3.69Å; M41-Y80 HydrophobicContact CE-CE2 3.42Å; M41-Y80 VanDerWaalsContact CE-CE2 3.42Å; M41-Y80 HydrophobicContact CE-CG 4.4Å; M41-Y80 HydrophobicContact SD-CD2 3.65Å; M41-Y80 HydrophobicContact SD-CE2 3.55Å; M41-Y80 VanDerWaalsContact SD-CE2 3.55Å; S76-Y80 WeakPolarHBondContact O-CD2 3.42Å; S76-Y80 PolarHBondContact O-N 2.77Å; Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 3.34Å; Y80-A83 WeakPolarHBondContact O-CB 3.42Å; Y80-A83 PolarHBondContact O-N 2.94Å; Y80-M84 WeakPolarHBondContact O-CG 3.19Å; Y80-M84 PolarHBondContact O-N 3.06Å; Y80-M121 HydrophobicContact CD1-CE 3.93Å; Y80-M121 HydrophobicContact CE1-CE 3.67Å; Y80-M121 HydrophobicContact CE2-CE 4.33Å; Y80-M121 HydrophobicContact CG-CE 4.36Å; Y80-W125 HydrophobicContact CE1-CZ2 4.5Å; Y80-S176 WeakPolarHBondContact OH-CB 3.37Å; Y80-S176 PolarHBondContact OH-OG 3.18Å; Y80-S177 VanDerWaalsContact OH-CA 3.3Å; Y80-S177 WeakPolarHBondContact OH-CA 3.45Å; Y80-S177 PolarHBondContact OH-N 3.16Å; Y80-S177 PolarHBondContact OH-OG 3.06Å |
| 81 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.7 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G77 L79 M85 | G77-G81 WeakPolarHBondContact O-CA 3.33Å; G77-G81 PolarHBondContact O-N 3.2Å; L79-G81 VanDerWaalsContact C-N 3.3Å; L79-G81 PolarHBondContact O-N 3.1Å; G81-M85 WeakPolarHBondContact O-CB 3.22Å; G81-M85 VanDerWaalsContact O-CG 3.31Å; G81-M85 WeakPolarHBondContact O-CG 3.08Å; G81-M85 PolarHBondContact O-N 2.93Å |
| 82 | T | 98.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | P78 L79 Y80 M84 M85 E86 G107 R111 | P78-T82 WeakPolarHBondContact O-CB 3.44Å; P78-T82 PolarHBondContact O-N 2.84Å; P78-T82 PolarHBondContact O-OG1 3.26Å; L79-T82 PolarHBondContact O-N 2.91Å; L79-T82 VanDerWaalsContact O-N 3.15Å; Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 3.34Å; T82-M84 PolarHBondContact O-N 2.88Å; T82-M85 PolarHBondContact O-N 3.38Å; T82-E86 HydrophobicContact CG2-CG 4.28Å; T82-E86 WeakPolarHBondContact O-CG 3.5Å; T82-E86 PolarHBondContact O-N 2.94Å; T82-G107 VanDerWaalsContact CG2-C 3.48Å; T82-G107 WeakPolarHBondContact CG2-O 3.39Å; T82-R111 HydrophobicContact CG2-CB 4.11Å; T82-R111 PolarHBondContact OG1-NE 3.41Å |
| 83 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55 | -52 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L79 Y80 M85 E86 M87 A104 I108 W125 | L79-A83 PolarHBondContact O-N 3.22Å; Y80-A83 WeakPolarHBondContact O-CB 3.42Å; Y80-A83 PolarHBondContact O-N 2.94Å; A83-M85 PolarHBondContact O-N 3.48Å; A83-E86 PolarHBondContact O-N 3.2Å; A83-M87 HydrophobicContact CB-CE 4.4Å; A83-M87 WeakPolarHBondContact O-CG 3.16Å; A83-M87 PolarHBondContact O-N 3.49Å; A83-A104 HydrophobicContact CB-CB 3.86Å; A83-I108 HydrophobicContact CB-CD1 3.81Å; A83-I108 HydrophobicContact CB-CG1 3.97Å; A83-W125 HydrophobicContact CB-CH2 4.23Å |
| 84 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 177.8 | -64.2 | -64.4 | 165.8 | 0 | 0 | 112.1 | L11 F61 A65 M68 Y80 T82 M87 M88 F180 | L11-M84 HydrophobicContact CD2-CE 4.36Å; F61-M84 HydrophobicContact CD1-SD 3.8Å; F61-M84 HydrophobicContact CE1-SD 4.15Å; A65-M84 HydrophobicContact CB-CB 3.58Å; M68-M84 HydrophobicContact CE-CE 4.16Å; M68-M84 HydrophobicContact SD-CG 3.93Å; Y80-M84 WeakPolarHBondContact O-CG 3.19Å; Y80-M84 PolarHBondContact O-N 3.06Å; T82-M84 PolarHBondContact O-N 2.88Å; M84-M87 HydrophobicContact CE-CE 3.9Å; M84-M87 HydrophobicContact CG-CE 4.33Å; M84-M87 PolarHBondContact O-N 3.11Å; M84-M87 HydrophobicContact SD-CE 3.43Å; M84-M87 WeakPolarHBondContact SD-CE 3.16Å; M84-M88 WeakPolarHBondContact O-CB 3.31Å; M84-M88 PolarHBondContact O-N 3.2Å; M84-F180 HydrophobicContact CE-CD2 4.31Å; M84-F180 HydrophobicContact CE-CE2 3.66Å; M84-F180 HydrophobicContact CE-CZ 3.99Å |
| 85 | M | 98.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 26% | 0.261 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 175 | -79.4 | -58.3 | -69.7 | 0 | 0 | 113.4 | A65 I69 G81 T82 A83 M88 K89 | A65-M85 HydrophobicContact CB-CG 3.7Å; A65-M85 HydrophobicContact CB-SD 3.75Å; I69-M85 HydrophobicContact CD1-CG 4.38Å; G81-M85 WeakPolarHBondContact O-CB 3.22Å; G81-M85 VanDerWaalsContact O-CG 3.31Å; G81-M85 WeakPolarHBondContact O-CG 3.08Å; G81-M85 PolarHBondContact O-N 2.93Å; T82-M85 PolarHBondContact O-N 3.38Å; A83-M85 PolarHBondContact O-N 3.48Å; M85-M88 HydrophobicContact CE-CE 3.47Å; M85-M88 VanDerWaalsContact CE-CE 3.47Å; M85-M88 WeakPolarHBondContact O-CB 2.86Å; M85-M88 HydrophobicContact SD-CE 3.97Å; M85-K89 WeakPolarHBondContact O-CG 3.41Å; M85-K89 PolarHBondContact O-N 3.18Å |
| 86 | E | 98.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.4 | -37.3 | 177.4 | -63.7 | -46.7 | 141 | 0 | 0 | 111.2 | T82 A83 M88 K89 A90 A103 | T82-E86 HydrophobicContact CG2-CG 4.28Å; T82-E86 WeakPolarHBondContact O-CG 3.5Å; T82-E86 PolarHBondContact O-N 2.94Å; A83-E86 PolarHBondContact O-N 3.2Å; E86-M88 VanDerWaalsContact C-N 3.33Å; E86-M88 PolarHBondContact O-N 3.07Å; E86-K89 PolarHBondContact O-N 3.26Å; E86-K89 IonicContact OE1-NZ 3.98Å; E86-K89 PolarHBondContact OE1-NZ 3.28Å; E86-K89 WeakPolarHBondContact OE2-CD 3.35Å; E86-K89 IonicContact OE2-NZ 3.1Å; E86-K89 PolarHBondContact OE2-NZ 3.42Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.43Å; E86-A103 HydrophobicContact CB-CB 4.25Å; E86-A103 WeakPolarHBondContact CB-O 3.25Å |
| 87 | M | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | 170.6 | -74 | -173.6 | -69.9 | 0 | 0 | 111.8 | F61 A83 M84 K89 A90 S91 L100 L101 A104 W125 | F61-M87 HydrophobicContact CD1-CB 3.88Å; F61-M87 HydrophobicContact CD1-CE 4.42Å; F61-M87 HydrophobicContact CD2-CB 4.26Å; F61-M87 HydrophobicContact CE1-CB 3.77Å; F61-M87 HydrophobicContact CE1-CE 4.02Å; F61-M87 HydrophobicContact CE1-CG 4.44Å; F61-M87 HydrophobicContact CE1-SD 3.96Å; F61-M87 HydrophobicContact CE2-CB 4.16Å; F61-M87 HydrophobicContact CG-CB 4.14Å; F61-M87 HydrophobicContact CZ-CB 3.92Å; F61-M87 HydrophobicContact CZ-SD 4.29Å; A83-M87 HydrophobicContact CB-CE 4.4Å; A83-M87 WeakPolarHBondContact O-CG 3.16Å; A83-M87 PolarHBondContact O-N 3.49Å; M84-M87 HydrophobicContact CE-CE 3.9Å; M84-M87 HydrophobicContact CG-CE 4.33Å; M84-M87 PolarHBondContact O-N 3.11Å; M84-M87 HydrophobicContact SD-CE 3.43Å; M84-M87 WeakPolarHBondContact SD-CE 3.16Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 3.34Å; M87-A90 PolarHBondContact O-N 3.29Å; M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 2.83Å; M87-S91 PolarHBondContact O-OG 3.48Å; M87-L100 HydrophobicContact CG-CB 4.07Å; M87-L100 VanDerWaalsContact CG-O 3.27Å; M87-L100 WeakPolarHBondContact CG-O 3.39Å; M87-L101 HydrophobicContact SD-CD2 4.11Å; M87-A104 HydrophobicContact CE-CB 4.34Å; M87-A104 HydrophobicContact CG-CB 3.9Å; M87-A104 HydrophobicContact SD-CB 4.22Å; M87-W125 HydrophobicContact CE-CH2 4.14Å |
| 88 | M | 98.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -41.6 | 173.5 | 176.8 | -87 | -65.5 | 0 | 0 | 112.8 | P58 F61 K62 M84 M85 E86 S91 | P58-M88 HydrophobicContact CB-CG 4.19Å; P58-M88 WeakPolarHBondContact O-CG 3.41Å; F61-M88 HydrophobicContact CB-CB 3.57Å; F61-M88 HydrophobicContact CB-CG 4.34Å; K62-M88 HydrophobicContact CB-CG 4.09Å; M84-M88 WeakPolarHBondContact O-CB 3.31Å; M84-M88 PolarHBondContact O-N 3.2Å; M85-M88 HydrophobicContact CE-CE 3.47Å; M85-M88 VanDerWaalsContact CE-CE 3.47Å; M85-M88 WeakPolarHBondContact O-CB 2.86Å; M85-M88 HydrophobicContact SD-CE 3.97Å; E86-M88 VanDerWaalsContact C-N 3.33Å; E86-M88 PolarHBondContact O-N 3.07Å; M88-S91 WeakPolarHBondContact CA-OG 3.27Å; M88-S91 PolarHBondContact O-OG 3.44Å |
| 89 | K | 98.8 | Very high | 97.6 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.4 | -46.1 | 179.7 | -67.8 | 174 | -155.9 | 159.5 | 0 | 110.9 | M85 E86 M87 S91 K92 | M85-K89 WeakPolarHBondContact O-CG 3.41Å; M85-K89 PolarHBondContact O-N 3.18Å; E86-K89 PolarHBondContact O-N 3.26Å; E86-K89 IonicContact OE1-NZ 3.98Å; E86-K89 PolarHBondContact OE1-NZ 3.28Å; E86-K89 WeakPolarHBondContact OE2-CD 3.35Å; E86-K89 IonicContact OE2-NZ 3.1Å; E86-K89 PolarHBondContact OE2-NZ 3.42Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 3.34Å; K89-S91 PolarHBondContact O-N 3.26Å; K89-K92 PolarHBondContact O-N 2.9Å |
| 90 | A | 98.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -32.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E86 M87 K92 E93 S94 L100 A103 | E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 3.43Å; M87-A90 PolarHBondContact O-N 3.29Å; A90-K92 PolarHBondContact O-N 3.1Å; A90-K92 VanDerWaalsContact O-N 3.09Å; A90-E93 PolarHBondContact O-N 2.98Å; A90-E93 VanDerWaalsContact O-N 3.13Å; A90-S94 PolarHBondContact O-N 3.13Å; A90-S94 VanDerWaalsContact O-N 3.12Å; A90-L100 HydrophobicContact CB-CD1 3.94Å; A90-L100 HydrophobicContact CB-CG 4.17Å; A90-A103 HydrophobicContact CB-CB 3.84Å |
| 91 | S | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.8 | -177.4 | 73 | 0 | 0 | 0 | 0 | 114.6 | P58 M87 M88 K89 E93 S94 | P58-S91 WeakPolarHBondContact CD-OG 3.45Å; P58-S91 WeakPolarHBondContact CG-OG 3.43Å; M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 2.83Å; M87-S91 PolarHBondContact O-OG 3.48Å; M88-S91 WeakPolarHBondContact CA-OG 3.27Å; M88-S91 PolarHBondContact O-OG 3.44Å; K89-S91 PolarHBondContact O-N 3.26Å; S91-E93 VanDerWaalsContact C-N 3.34Å; S91-S94 CarbonylContact C-O 3.46Å; S91-S94 WeakPolarHBondContact CA-O 3.29Å |
| 92 | K | 98 | Very high | 97.7 | Very high | 130 Ų | 130 | 47.9 Ų | 47.9 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26.7 | 174.6 | -64.4 | 180 | -179.3 | -175.6 | 0 | 112.8 | P58 K89 A90 | P58-K92 HydrophobicContact CB-CG 4.4Å; P58-K92 HydrophobicContact CG-CG 3.86Å; K89-K92 PolarHBondContact O-N 2.9Å; A90-K92 PolarHBondContact O-N 3.1Å; A90-K92 VanDerWaalsContact O-N 3.09Å |
| 93 | E | 97 | Very high | 97.7 | Very high | 182 Ų | 182 | 48.8 Ų | 48.8 | 85% | 0.85 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -16.6 | -174.8 | -57.1 | -62.6 | 150.4 | 0 | 0 | 112.2 | A90 S91 | A90-E93 PolarHBondContact O-N 2.98Å; A90-E93 VanDerWaalsContact O-N 3.13Å; S91-E93 VanDerWaalsContact C-N 3.34Å |
| 94 | S | 96.9 | Very high | 97.7 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | trans | -149.9 | 158.4 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 111 | A90 S91 E96 I99 | A90-S94 PolarHBondContact O-N 3.13Å; A90-S94 VanDerWaalsContact O-N 3.12Å; S91-S94 CarbonylContact C-O 3.46Å; S91-S94 WeakPolarHBondContact CA-O 3.29Å; S94-E96 WeakPolarHBondContact OG-CB 3.44Å; S94-E96 PolarHBondContact OG-N 3.39Å; S94-I99 WeakPolarHBondContact OG-CD1 3.23Å | ||
| 95 | N | 95.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | trans | -122.4 | 14 | 166.4 | 63.9 | -8.5 | 0 | 0 | 0 | 111.3 | M1 F2 L57 | M1-N95 CarbonylContact C-O 3.53Å; M1-N95 WeakPolarHBondContact CA-O 3.49Å; M1-N95 PolarHBondContact SD-ND2 3.49Å; M1-N95 PolarHBondContact SD-OD1 3.01Å; F2-N95 PolarHBondContact N-O 3.33Å; F2-N95 WeakPolarHBondContact O-CB 3.34Å; L57-N95 HydrophobicContact CD1-CB 3.82Å | ||
| 96 | E | 94.2 | Very high | 97.7 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | trans | -75.5 | 126.3 | -179.5 | -69.6 | -55.8 | 149.8 | 0 | 0 | 111 | M1 S94 E98 I99 L100 | M1-E96 WeakPolarHBondContact CG-OE1 3.19Å; S94-E96 WeakPolarHBondContact OG-CB 3.44Å; S94-E96 PolarHBondContact OG-N 3.39Å; E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 2.95Å; E96-I99 HydrophobicContact CB-CB 4.37Å; E96-I99 HydrophobicContact CB-CD1 4.12Å; E96-I99 HydrophobicContact CB-CG1 4.2Å; E96-I99 PolarHBondContact O-N 3.44Å; E96-I99 VanDerWaalsContact O-N 3.16Å; E96-L100 WeakPolarHBondContact O-CD1 3.5Å; E96-L100 PolarHBondContact O-N 2.9Å; E96-L100 VanDerWaalsContact O-N 3.12Å | ||
| 97 | P | 94.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.2 | -41.7 | -177.7 | -30.6 | 39.2 | 0 | 0 | 0 | 113.2 | F2 I99 L100 L101 L132 | F2-P97 HydrophobicContact CD2-CB 4.37Å; F2-P97 HydrophobicContact CD2-CG 4.25Å; F2-P97 HydrophobicContact CE2-CB 4.21Å; F2-P97 HydrophobicContact CE2-CG 4.48Å; P97-I99 PolarHBondContact O-N 2.81Å; P97-L100 PolarHBondContact O-N 3.31Å; P97-L101 HydrophobicContact CB-CD1 4.3Å; P97-L101 VanDerWaalsContact O-CB 3.23Å; P97-L101 WeakPolarHBondContact O-CB 3.39Å; P97-L101 WeakPolarHBondContact O-CD1 3.48Å; P97-L101 WeakPolarHBondContact O-CG 3.13Å; P97-L101 PolarHBondContact O-N 3.39Å; P97-L132 HydrophobicContact CB-CD2 3.79Å |
| 98 | E | 95.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 178.6 | -173.7 | -172.5 | -174.8 | 0 | 0 | 111.6 | E96 L100 L101 R102 V129 | E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 2.95Å; E98-L100 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3.42Å; E98-R102 HydrophobicContact CG-CG 4.26Å; E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.48Å; E98-R102 VanDerWaalsContact O-CG 3.26Å; E98-R102 WeakPolarHBondContact O-CG 3.36Å; E98-R102 PolarHBondContact O-N 3.09Å; E98-R102 IonicContact OE1-CZ 2.92Å; E98-R102 VanDerWaalsContact OE1-CZ 3.31Å; E98-R102 IonicContact OE1-NE 2.89Å; E98-R102 PolarHBondContact OE1-NE 2.94Å; E98-R102 IonicContact OE1-NH2 2.7Å; E98-R102 PolarHBondContact OE1-NH2 2.97Å; E98-V129 HydrophobicContact CG-CG1 4.26Å |
| 99 | I | 97.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 45% | 0.451 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | -177.7 | -66.2 | 177.8 | 0 | 0 | 0 | 110.3 | S94 E96 P97 A103 | S94-I99 WeakPolarHBondContact OG-CD1 3.23Å; E96-I99 HydrophobicContact CB-CB 4.37Å; E96-I99 HydrophobicContact CB-CD1 4.12Å; E96-I99 HydrophobicContact CB-CG1 4.2Å; E96-I99 PolarHBondContact O-N 3.44Å; E96-I99 VanDerWaalsContact O-N 3.16Å; P97-I99 PolarHBondContact O-N 2.81Å; I99-A103 WeakPolarHBondContact O-CB 3.22Å; I99-A103 PolarHBondContact O-N 2.9Å; I99-A103 VanDerWaalsContact O-N 3.08Å |
| 100 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -47 | -178.6 | -87.4 | 56.3 | 0 | 0 | 0 | 111.2 | F2 F61 M87 A90 E96 P97 E98 A103 A104 | F2-L100 HydrophobicContact CB-CD2 4.26Å; F2-L100 HydrophobicContact CD2-CD2 3.76Å; F2-L100 HydrophobicContact CG-CD2 4.29Å; F61-L100 HydrophobicContact CE2-CD2 3.84Å; F61-L100 HydrophobicContact CZ-CD2 4.08Å; M87-L100 HydrophobicContact CG-CB 4.07Å; M87-L100 VanDerWaalsContact CG-O 3.27Å; M87-L100 WeakPolarHBondContact CG-O 3.39Å; A90-L100 HydrophobicContact CB-CD1 3.94Å; A90-L100 HydrophobicContact CB-CG 4.17Å; E96-L100 WeakPolarHBondContact O-CD1 3.5Å; E96-L100 PolarHBondContact O-N 2.9Å; E96-L100 VanDerWaalsContact O-N 3.12Å; P97-L100 PolarHBondContact O-N 3.31Å; E98-L100 PolarHBondContact O-N 2.89Å; L100-A103 WeakPolarHBondContact O-CB 3.21Å; L100-A103 PolarHBondContact O-N 3.27Å; L100-A104 PolarHBondContact O-N 3.05Å |
| 101 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | -178.5 | -64.6 | 166.7 | 0 | 0 | 0 | 112 | M87 P97 E98 A103 A104 I105 W125 V129 L132 F180 F181 M184 | M87-L101 HydrophobicContact SD-CD2 4.11Å; P97-L101 HydrophobicContact CB-CD1 4.3Å; P97-L101 VanDerWaalsContact O-CB 3.23Å; P97-L101 WeakPolarHBondContact O-CB 3.39Å; P97-L101 WeakPolarHBondContact O-CD1 3.48Å; P97-L101 WeakPolarHBondContact O-CG 3.13Å; P97-L101 PolarHBondContact O-N 3.39Å; E98-L101 PolarHBondContact O-N 3.42Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.5Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.36Å; L101-W125 HydrophobicContact CB-CZ3 4.48Å; L101-W125 HydrophobicContact CD2-CE3 4.2Å; L101-W125 HydrophobicContact CD2-CH2 4.06Å; L101-W125 HydrophobicContact CD2-CZ3 3.48Å; L101-W125 VanDerWaalsContact CD2-CZ3 3.48Å; L101-V129 HydrophobicContact CB-CG2 3.5Å; L101-V129 HydrophobicContact CD1-CG2 4Å; L101-V129 HydrophobicContact CG-CG2 4.34Å; L101-L132 HydrophobicContact CD1-CD2 3.72Å; L101-F180 HydrophobicContact CD2-CE1 4.32Å; L101-F181 HydrophobicContact CD1-CE1 3.96Å; L101-F181 HydrophobicContact CD1-CZ 4.48Å; L101-F181 HydrophobicContact CD2-CE1 4.35Å; L101-F181 HydrophobicContact CD2-CZ 4.19Å; L101-M184 HydrophobicContact CD1-CE 4.02Å; L101-M184 HydrophobicContact CD1-SD 4.02Å; L101-M184 HydrophobicContact CD2-SD 4.44Å |
| 102 | R | 98.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 61.9 Ų | 61.9 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 171.7 | -72.4 | -169.2 | -171.9 | -68.5 | -1.3 | 111.9 | E98 I105 A106 V129 D130 | E98-R102 HydrophobicContact CG-CG 4.26Å; E98-R102 VanDerWaalsContact O-CB 3.29Å; E98-R102 WeakPolarHBondContact O-CB 3.48Å; E98-R102 VanDerWaalsContact O-CG 3.26Å; E98-R102 WeakPolarHBondContact O-CG 3.36Å; E98-R102 PolarHBondContact O-N 3.09Å; E98-R102 IonicContact OE1-CZ 2.92Å; E98-R102 VanDerWaalsContact OE1-CZ 3.31Å; E98-R102 IonicContact OE1-NE 2.89Å; E98-R102 PolarHBondContact OE1-NE 2.94Å; E98-R102 IonicContact OE1-NH2 2.7Å; E98-R102 PolarHBondContact OE1-NH2 2.97Å; R102-I105 PolarHBondContact O-N 3.13Å; R102-A106 PolarHBondContact O-N 2.92Å; R102-V129 HydrophobicContact CG-CG1 3.87Å; R102-D130 IonicContact CZ-OD1 2.96Å; R102-D130 IonicContact NH1-OD1 2.63Å; R102-D130 PolarHBondContact NH1-OD1 3.24Å; R102-D130 IonicContact NH2-OD1 2.79Å; R102-D130 PolarHBondContact NH2-OD1 3.38Å |
| 103 | A | 98.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E86 A90 I99 L100 L101 A106 G107 | E86-A103 HydrophobicContact CB-CB 4.25Å; E86-A103 WeakPolarHBondContact CB-O 3.25Å; A90-A103 HydrophobicContact CB-CB 3.84Å; I99-A103 WeakPolarHBondContact O-CB 3.22Å; I99-A103 PolarHBondContact O-N 2.9Å; I99-A103 VanDerWaalsContact O-N 3.08Å; L100-A103 WeakPolarHBondContact O-CB 3.21Å; L100-A103 PolarHBondContact O-N 3.27Å; L101-A103 VanDerWaalsContact C-N 3.33Å; A103-A106 PolarHBondContact O-N 3.12Å; A103-G107 PolarHBondContact O-N 3.24Å |
| 104 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A83 M87 L100 L101 A106 G107 I108 W125 | A83-A104 HydrophobicContact CB-CB 3.86Å; M87-A104 HydrophobicContact CE-CB 4.34Å; M87-A104 HydrophobicContact CG-CB 3.9Å; M87-A104 HydrophobicContact SD-CB 4.22Å; L100-A104 PolarHBondContact O-N 3.05Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 3.5Å; A104-A106 PolarHBondContact O-N 3.41Å; A104-G107 WeakPolarHBondContact O-CA 3.34Å; A104-G107 PolarHBondContact O-N 2.93Å; A104-G107 VanDerWaalsContact O-N 3.12Å; A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.49Å; A104-I108 PolarHBondContact O-N 2.93Å; A104-W125 HydrophobicContact CB-CE3 4.13Å; A104-W125 HydrophobicContact CB-CH2 4.06Å; A104-W125 HydrophobicContact CB-CZ3 3.43Å; A104-W125 VanDerWaalsContact CB-CZ3 3.43Å |
| 105 | I | 98.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.4 | -50.7 | 177.3 | -72 | 164.7 | 0 | 0 | 0 | 110.6 | L101 R102 G107 I108 M109 L122 W125 V129 | L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.36Å; R102-I105 PolarHBondContact O-N 3.13Å; I105-G107 VanDerWaalsContact C-N 3.27Å; I105-G107 PolarHBondContact O-N 3.17Å; I105-I108 PolarHBondContact O-N 3.07Å; I105-M109 HydrophobicContact CG2-CG 4.23Å; I105-M109 HydrophobicContact CG2-SD 3.81Å; I105-M109 WeakPolarHBondContact O-CB 3.46Å; I105-M109 VanDerWaalsContact O-CG 3.26Å; I105-M109 WeakPolarHBondContact O-CG 3.37Å; I105-M109 PolarHBondContact O-N 3.47Å; I105-L122 HydrophobicContact CG2-CD2 4.12Å; I105-W125 HydrophobicContact CD1-CB 4.21Å; I105-W125 HydrophobicContact CG1-CB 3.87Å; I105-W125 HydrophobicContact CG1-CE3 4.08Å; I105-V129 HydrophobicContact CD1-CB 4.16Å; I105-V129 HydrophobicContact CD1-CG2 3.77Å |
| 106 | A | 98.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R102 A103 A104 K110 | R102-A106 PolarHBondContact O-N 2.92Å; A103-A106 PolarHBondContact O-N 3.12Å; A104-A106 PolarHBondContact O-N 3.41Å; A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 PolarHBondContact O-N 2.95Å |
| 107 | G | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -49.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T82 A103 A104 I105 K110 R111 | T82-G107 VanDerWaalsContact CG2-C 3.48Å; T82-G107 WeakPolarHBondContact CG2-O 3.39Å; A103-G107 PolarHBondContact O-N 3.24Å; A104-G107 WeakPolarHBondContact O-CA 3.34Å; A104-G107 PolarHBondContact O-N 2.93Å; A104-G107 VanDerWaalsContact O-N 3.12Å; I105-G107 VanDerWaalsContact C-N 3.27Å; I105-G107 PolarHBondContact O-N 3.17Å; G107-K110 PolarHBondContact O-N 3.1Å; G107-R111 WeakPolarHBondContact O-CB 3.38Å; G107-R111 PolarHBondContact O-N 2.94Å |
| 108 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 178.5 | -66.3 | 161.1 | 0 | 0 | 0 | 109.8 | L79 A83 A104 I105 K110 R111 G112 M121 L122 W125 | L79-I108 HydrophobicContact CD2-CG2 4.04Å; A83-I108 HydrophobicContact CB-CD1 3.81Å; A83-I108 HydrophobicContact CB-CG1 3.97Å; A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.49Å; A104-I108 PolarHBondContact O-N 2.93Å; I105-I108 PolarHBondContact O-N 3.07Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 2.82Å; I108-R111 PolarHBondContact O-N 3.45Å; I108-G112 PolarHBondContact O-N 3.03Å; I108-M121 HydrophobicContact CD1-CE 3.76Å; I108-M121 HydrophobicContact CD1-SD 4.22Å; I108-M121 HydrophobicContact CG2-CG 4.12Å; I108-M121 HydrophobicContact CG2-SD 3.99Å; I108-L122 HydrophobicContact CB-CD2 3.97Å; I108-L122 HydrophobicContact CG2-CD1 4.28Å; I108-L122 HydrophobicContact CG2-CD2 3.59Å; I108-L122 HydrophobicContact CG2-CG 3.83Å; I108-W125 HydrophobicContact CD1-CD2 4.18Å; I108-W125 HydrophobicContact CD1-CE3 4.4Å |
| 109 | M | 98.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 177.2 | -70.1 | 176.7 | 76.3 | 0 | 0 | 111.3 | I105 N113 S114 T115 L122 | I105-M109 HydrophobicContact CG2-CG 4.23Å; I105-M109 HydrophobicContact CG2-SD 3.81Å; I105-M109 WeakPolarHBondContact O-CB 3.46Å; I105-M109 VanDerWaalsContact O-CG 3.26Å; I105-M109 WeakPolarHBondContact O-CG 3.37Å; I105-M109 PolarHBondContact O-N 3.47Å; M109-N113 WeakPolarHBondContact O-CA 3.28Å; M109-N113 PolarHBondContact O-N 3.09Å; M109-S114 VanDerWaalsContact CA-O 3.32Å; M109-S114 WeakPolarHBondContact CA-O 3.15Å; M109-S114 VanDerWaalsContact CB-O 3.29Å; M109-S114 WeakPolarHBondContact CB-O 3.27Å; M109-S114 VanDerWaalsContact CG-O 3.27Å; M109-S114 WeakPolarHBondContact CG-O 3.49Å; M109-S114 PolarHBondContact O-N 3.19Å; M109-S114 VanDerWaalsContact O-N 3.14Å; M109-T115 HydrophobicContact CE-CG2 3.78Å; M109-L122 HydrophobicContact CG-CD1 3.67Å; M109-L122 HydrophobicContact CG-CD2 3.89Å; M109-L122 HydrophobicContact CG-CG 4.46Å |
| 110 | K | 98.3 | Very high | 98 | Very high | 186 Ų | 186 | 49 Ų | 49 | 81% | 0.809 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 178 | -177.4 | 177.9 | 179.1 | 178.8 | 0 | 112.3 | A106 G107 I108 | A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 PolarHBondContact O-N 2.95Å; G107-K110 PolarHBondContact O-N 3.1Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 2.82Å |
| 111 | R | 97.8 | Very high | 97.9 | Very high | 160 Ų | 160 | 49.4 Ų | 49.4 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.4 | -45.8 | -178.4 | 174.6 | 62.4 | 68.7 | -169.6 | 3.7 | 112.1 | P78 L79 T82 G107 I108 N113 | P78-R111 HydrophobicContact CB-CG 4.38Å; L79-R111 HydrophobicContact CD2-CB 4.2Å; L79-R111 HydrophobicContact CD2-CG 3.9Å; T82-R111 HydrophobicContact CG2-CB 4.11Å; T82-R111 PolarHBondContact OG1-NE 3.41Å; G107-R111 WeakPolarHBondContact O-CB 3.38Å; G107-R111 PolarHBondContact O-N 2.94Å; I108-R111 PolarHBondContact O-N 3.45Å; R111-N113 VanDerWaalsContact C-N 3.34Å |
| 112 | G | 96.2 | Very high | 98 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -83.5 | -10.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I108 S114 | I108-G112 PolarHBondContact O-N 3.03Å; G112-S114 PolarHBondContact O-N 3.38Å |
| 113 | N | 96.6 | Very high | 98 | Very high | 126 Ų | 126 | 45.3 Ų | 45.3 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 48.5 | -167.3 | -173 | 38.6 | 0 | 0 | 0 | 110.5 | M109 R111 K156 | M109-N113 WeakPolarHBondContact O-CA 3.28Å; M109-N113 PolarHBondContact O-N 3.09Å; R111-N113 VanDerWaalsContact C-N 3.34Å; N113-K156 WeakPolarHBondContact O-CE 3.5Å; N113-K156 PolarHBondContact O-NZ 2.85Å |
| 114 | S | 95.5 | Very high | 98 | Very high | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | trans | -131.9 | 157.4 | -171.3 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | M109 G112 E118 L122 | M109-S114 VanDerWaalsContact CA-O 3.32Å; M109-S114 WeakPolarHBondContact CA-O 3.15Å; M109-S114 VanDerWaalsContact CB-O 3.29Å; M109-S114 WeakPolarHBondContact CB-O 3.27Å; M109-S114 VanDerWaalsContact CG-O 3.27Å; M109-S114 WeakPolarHBondContact CG-O 3.49Å; M109-S114 PolarHBondContact O-N 3.19Å; M109-S114 VanDerWaalsContact O-N 3.14Å; G112-S114 PolarHBondContact O-N 3.38Å; S114-E118 WeakPolarHBondContact CA-OE2 3.39Å; S114-E118 WeakPolarHBondContact CB-OE2 3.49Å; S114-L122 WeakPolarHBondContact O-CD1 3.49Å; S114-L122 WeakPolarHBondContact OG-CD1 3.21Å | ||
| 115 | T | 97.1 | Very high | 98 | Very high | 72 Ų | 72 | 44 Ų | 44 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | trans | -126.4 | 171.3 | 175.5 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | M109 E118 | M109-T115 HydrophobicContact CE-CG2 3.78Å; T115-E118 PolarHBondContact N-OE2 3.29Å; T115-E118 WeakPolarHBondContact O-CB 3.47Å | ||
| 116 | V | 97.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 144.7 | 165.1 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L122 | V116-L122 HydrophobicContact CG2-CB 4.35Š|
| 117 | G | 97.8 | Very high | 97.9 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 6.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D123 I152 | G117-D123 VanDerWaalsContact CA-OD1 3.29Å; G117-D123 WeakPolarHBondContact CA-OD1 3.31Å; G117-D123 PolarHBondContact N-OD1 3.48Å; G117-I152 VanDerWaalsContact O-CG2 3.25Å; G117-I152 WeakPolarHBondContact O-CG2 3.25Å |
| 118 | E | 98.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -110.4 | 8.2 | -172.1 | -65.8 | -156.7 | 102.5 | 0 | 0 | 114.8 | S114 T115 T155 K156 | S114-E118 WeakPolarHBondContact CA-OE2 3.39Å; S114-E118 WeakPolarHBondContact CB-OE2 3.49Å; T115-E118 PolarHBondContact N-OE2 3.29Å; T115-E118 WeakPolarHBondContact O-CB 3.47Å; E118-T155 WeakPolarHBondContact CB-OG1 3.31Å; E118-T155 VanDerWaalsContact CD-OG1 3.29Å; E118-T155 WeakPolarHBondContact CG-OG1 3.45Å; E118-T155 PolarHBondContact O-N 3.22Å; E118-T155 PolarHBondContact OE1-OG1 2.93Å; E118-K156 HydrophobicContact CB-CG 3.92Å; E118-K156 VanDerWaalsContact CD-CE 3.41Å; E118-K156 HydrophobicContact CG-CG 4.48Å; E118-K156 WeakPolarHBondContact OE1-CE 3.45Å; E118-K156 WeakPolarHBondContact OE2-CE 3.5Å |
| 119 | K | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 61.7 | 64.9 | -177.7 | -157.6 | -157.7 | -172.9 | 74 | 0 | 112.1 | D123 T149 I152 A154 S166 H169 D171 | K119-D123 WeakPolarHBondContact CA-OD2 3.28Å; K119-D123 PolarHBondContact N-OD2 3.42Å; K119-T149 PolarHBondContact NZ-O 3.36Å; K119-I152 HydrophobicContact CB-CB 3.99Å; K119-I152 HydrophobicContact CB-CG2 3.84Å; K119-I152 WeakPolarHBondContact CD-O 3.48Å; K119-I152 HydrophobicContact CG-CB 4.22Å; K119-I152 PolarHBondContact NZ-O 3.07Å; K119-I152 VanDerWaalsContact NZ-O 3.17Å; K119-A154 HydrophobicContact CB-CB 4.03Å; K119-A154 HydrophobicContact CD-CB 3.73Å; K119-S166 WeakPolarHBondContact CE-O 3.33Å; K119-S166 PolarHBondContact NZ-O 3.27Å; K119-H169 VanDerWaalsContact CE-O 3.22Å; K119-H169 WeakPolarHBondContact CE-O 3.12Å; K119-H169 PolarHBondContact NZ-O 3.45Å; K119-D171 HydrophobicContact CG-CB 4.19Å |
| 120 | T | 98.2 | Very high | 97.8 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -141.9 | 179 | 178.2 | 70 | 0 | 0 | 0 | 0 | 110.7 | L122 D123 K156 D171 | T120-L122 PolarHBondContact O-N 2.89Å; T120-L122 WeakPolarHBondContact OG1-CB 3.42Å; T120-L122 PolarHBondContact OG1-N 2.79Å; T120-D123 PolarHBondContact N-OD2 2.95Å; T120-D123 WeakPolarHBondContact O-CB 3.32Å; T120-D123 PolarHBondContact O-N 2.93Å; T120-K156 HydrophobicContact CG2-CB 3.7Å; T120-K156 HydrophobicContact CG2-CG 4.35Å; T120-D171 WeakPolarHBondContact CA-OD2 3.44Å |
| 121 | M | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -25.6 | 170.1 | 69.5 | -172 | -61.7 | 0 | 0 | 114.2 | L79 Y80 I108 D123 L124 W125 D171 | L79-M121 HydrophobicContact CB-SD 3.77Å; L79-M121 HydrophobicContact CD1-SD 4.13Å; Y80-M121 HydrophobicContact CD1-CE 3.93Å; Y80-M121 HydrophobicContact CE1-CE 3.67Å; Y80-M121 HydrophobicContact CE2-CE 4.33Å; Y80-M121 HydrophobicContact CG-CE 4.36Å; I108-M121 HydrophobicContact CD1-CE 3.76Å; I108-M121 HydrophobicContact CD1-SD 4.22Å; I108-M121 HydrophobicContact CG2-CG 4.12Å; I108-M121 HydrophobicContact CG2-SD 3.99Å; M121-D123 PolarHBondContact O-N 2.95Å; M121-L124 PolarHBondContact O-N 3.46Å; M121-L124 VanDerWaalsContact O-N 3.08Å; M121-W125 HydrophobicContact CE-CZ2 4.35Å; M121-W125 PolarHBondContact O-N 3.3Å; M121-D171 PolarHBondContact N-OD2 3.35Å |
| 122 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -28.8 | 177.3 | -68.3 | 172.1 | 0 | 0 | 0 | 112.9 | I105 I108 M109 S114 V116 T120 L124 W125 G126 | I105-L122 HydrophobicContact CG2-CD2 4.12Å; I108-L122 HydrophobicContact CB-CD2 3.97Å; I108-L122 HydrophobicContact CG2-CD1 4.28Å; I108-L122 HydrophobicContact CG2-CD2 3.59Å; I108-L122 HydrophobicContact CG2-CG 3.83Å; M109-L122 HydrophobicContact CG-CD1 3.67Å; M109-L122 HydrophobicContact CG-CD2 3.89Å; M109-L122 HydrophobicContact CG-CG 4.46Å; S114-L122 WeakPolarHBondContact O-CD1 3.49Å; S114-L122 WeakPolarHBondContact OG-CD1 3.21Å; V116-L122 HydrophobicContact CG2-CB 4.35Å; T120-L122 PolarHBondContact O-N 2.89Å; T120-L122 WeakPolarHBondContact OG1-CB 3.42Å; T120-L122 PolarHBondContact OG1-N 2.79Å; L122-L124 PolarHBondContact O-N 2.7Å; L122-W125 PolarHBondContact O-N 2.88Å; L122-G126 PolarHBondContact O-N 3.43Å |
| 123 | D | 98.7 | Very high | 97 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -18.3 | 175.7 | -65.3 | -68.5 | 0 | 0 | 0 | 112.6 | G117 K119 T120 M121 P127 T149 I152 | G117-D123 VanDerWaalsContact CA-OD1 3.29Å; G117-D123 WeakPolarHBondContact CA-OD1 3.31Å; G117-D123 PolarHBondContact N-OD1 3.48Å; K119-D123 WeakPolarHBondContact CA-OD2 3.28Å; K119-D123 PolarHBondContact N-OD2 3.42Å; T120-D123 PolarHBondContact N-OD2 2.95Å; T120-D123 WeakPolarHBondContact O-CB 3.32Å; T120-D123 PolarHBondContact O-N 2.93Å; M121-D123 PolarHBondContact O-N 2.95Å; D123-P127 WeakPolarHBondContact O-CD 3.38Å; D123-P127 WeakPolarHBondContact O-CG 3.42Å; D123-T149 HydrophobicContact CB-CG2 4.13Å; D123-I152 HydrophobicContact CB-CD1 4.13Å; D123-I152 WeakPolarHBondContact OD1-CD1 3.39Å |
| 124 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -93.5 | -53 | 167.2 | -169 | 104 | 0 | 0 | 0 | 111.8 | M121 L122 G126 A128 L142 L145 V146 A174 A178 F181 | M121-L124 PolarHBondContact O-N 3.46Å; M121-L124 VanDerWaalsContact O-N 3.08Å; L122-L124 PolarHBondContact O-N 2.7Å; L124-G126 PolarHBondContact O-N 2.85Å; L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 3.45Å; L124-L142 HydrophobicContact CD1-CD2 4.44Å; L124-L142 HydrophobicContact CD2-CD2 4.43Å; L124-L145 HydrophobicContact CD1-CB 3.77Å; L124-V146 HydrophobicContact CD1-CG2 3.58Å; L124-A174 HydrophobicContact CB-CB 4.08Å; L124-A178 HydrophobicContact CD1-CB 3.69Å; L124-A178 HydrophobicContact CD2-CB 3.86Å; L124-A178 HydrophobicContact CG-CB 4.43Å; L124-F181 HydrophobicContact CD2-CD2 3.89Å; L124-F181 HydrophobicContact CD2-CE2 4.29Å |
| 125 | W | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | -172.2 | -82.7 | 65.5 | 0 | 0 | 0 | 112.8 | Y80 A83 M87 L101 A104 I105 I108 M121 L122 V129 S177 F180 F181 | Y80-W125 HydrophobicContact CE1-CZ2 4.5Å; A83-W125 HydrophobicContact CB-CH2 4.23Å; M87-W125 HydrophobicContact CE-CH2 4.14Å; L101-W125 HydrophobicContact CB-CZ3 4.48Å; L101-W125 HydrophobicContact CD2-CE3 4.2Å; L101-W125 HydrophobicContact CD2-CH2 4.06Å; L101-W125 HydrophobicContact CD2-CZ3 3.48Å; L101-W125 VanDerWaalsContact CD2-CZ3 3.48Å; A104-W125 HydrophobicContact CB-CE3 4.13Å; A104-W125 HydrophobicContact CB-CH2 4.06Å; A104-W125 HydrophobicContact CB-CZ3 3.43Å; A104-W125 VanDerWaalsContact CB-CZ3 3.43Å; I105-W125 HydrophobicContact CD1-CB 4.21Å; I105-W125 HydrophobicContact CG1-CB 3.87Å; I105-W125 HydrophobicContact CG1-CE3 4.08Å; I108-W125 HydrophobicContact CD1-CD2 4.18Å; I108-W125 HydrophobicContact CD1-CE3 4.4Å; M121-W125 HydrophobicContact CE-CZ2 4.35Å; M121-W125 PolarHBondContact O-N 3.3Å; L122-W125 PolarHBondContact O-N 2.88Å; W125-V129 VanDerWaalsContact O-CG2 3.28Å; W125-V129 WeakPolarHBondContact O-CG2 3Å; W125-V129 PolarHBondContact O-N 3.47Å; W125-V129 VanDerWaalsContact O-N 3.07Å; W125-S177 VanDerWaalsContact NE1-CB 3.29Å; W125-S177 PolarHBondContact NE1-OG 3.35Å; W125-F180 HydrophobicContact CH2-CD1 4.22Å; W125-F180 AromaticContact CH2-CE1 3.84Å; W125-F180 HydrophobicContact CH2-CE1 3.84Å; W125-F180 AromaticContact CZ2-CD1 3.97Å; W125-F180 HydrophobicContact CZ2-CD1 3.97Å; W125-F180 HydrophobicContact CZ2-CE1 4.08Å; W125-F181 HydrophobicContact CB-CE2 4.44Å; W125-F181 AromaticContact CD1-CE2 3.92Å; W125-F181 AromaticContact CD2-CE2 3.61Å; W125-F181 HydrophobicContact CD2-CE2 3.61Å; W125-F181 AromaticContact CD2-CZ 3.91Å; W125-F181 HydrophobicContact CD2-CZ 3.91Å; W125-F181 AromaticContact CE2-CE2 3.73Å; W125-F181 HydrophobicContact CE3-CE2 4.05Å; W125-F181 AromaticContact CE3-CZ 3.9Å; W125-F181 HydrophobicContact CE3-CZ 3.9Å; W125-F181 AromaticContact CG-CE2 3.78Å; W125-F181 HydrophobicContact CG-CE2 3.78Å; W125-F181 HydrophobicContact CG-CZ 4.17Å; W125-F181 HydrophobicContact CZ2-CE2 4.27Å; W125-F181 HydrophobicContact CZ3-CZ 4.4Å; W125-F181 AromaticContact NE1-CE2 3.91Å |
| 126 | G | 98.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.9 | -64.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L122 L124 A128 V129 D130 | L122-G126 PolarHBondContact O-N 3.43Å; L124-G126 PolarHBondContact O-N 2.85Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.14Å; G126-V129 PolarHBondContact O-N 3.31Å; G126-D130 PolarHBondContact O-N 3.28Å; G126-D130 VanDerWaalsContact O-N 3.15Å |
| 127 | P | 98.2 | Very high | 95.1 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 21% | 0.214 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -31.9 | 179.2 | -25.8 | 36.4 | 0 | 0 | 0 | 114.3 | D123 D130 N131 L145 | D123-P127 WeakPolarHBondContact O-CD 3.38Å; D123-P127 WeakPolarHBondContact O-CG 3.42Å; P127-D130 PolarHBondContact O-N 2.9Å; P127-N131 WeakPolarHBondContact O-CB 3.5Å; P127-N131 PolarHBondContact O-N 2.94Å; P127-L145 HydrophobicContact CB-CD1 3.82Å; P127-L145 HydrophobicContact CB-CD2 3.36Å; P127-L145 HydrophobicContact CB-CG 4.21Å; P127-L145 HydrophobicContact CG-CD2 4.06Å |
| 128 | A | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 G126 N131 L132 L137 L142 L145 F181 | L124-A128 WeakPolarHBondContact O-CB 3.44Å; L124-A128 PolarHBondContact O-N 3.45Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.14Å; A128-N131 PolarHBondContact O-N 3.31Å; A128-L132 WeakPolarHBondContact O-CB 3.31Å; A128-L132 PolarHBondContact O-N 3.33Å; A128-L137 HydrophobicContact CB-CD1 3.98Å; A128-L142 HydrophobicContact CB-CD2 4.18Å; A128-L145 HydrophobicContact CB-CD1 4.04Å; A128-F181 HydrophobicContact CB-CD1 3.95Å; A128-F181 HydrophobicContact CB-CE1 3.73Å; A128-F181 HydrophobicContact CB-CE2 4.38Å; A128-F181 HydrophobicContact CB-CG 4.35Å; A128-F181 HydrophobicContact CB-CZ 3.98Å |
| 129 | V | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -34.5 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | E98 L101 R102 I105 W125 G126 L132 N133 F181 | E98-V129 HydrophobicContact CG-CG1 4.26Å; L101-V129 HydrophobicContact CB-CG2 3.5Å; L101-V129 HydrophobicContact CD1-CG2 4Å; L101-V129 HydrophobicContact CG-CG2 4.34Å; R102-V129 HydrophobicContact CG-CG1 3.87Å; I105-V129 HydrophobicContact CD1-CB 4.16Å; I105-V129 HydrophobicContact CD1-CG2 3.77Å; W125-V129 VanDerWaalsContact O-CG2 3.28Å; W125-V129 WeakPolarHBondContact O-CG2 3Å; W125-V129 PolarHBondContact O-N 3.47Å; W125-V129 VanDerWaalsContact O-N 3.07Å; G126-V129 PolarHBondContact O-N 3.31Å; V129-L132 WeakPolarHBondContact O-CB 3.08Å; V129-L132 PolarHBondContact O-N 3.01Å; V129-N133 PolarHBondContact O-N 2.94Å; V129-F181 HydrophobicContact CG2-CE1 4.32Å; V129-F181 HydrophobicContact CG2-CZ 4.27Å |
| 130 | D | 96.4 | Very high | 93.5 | Very high | 72 Ų | 72 | 33 Ų | 33 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.9 | -41 | 174.1 | -66.5 | -23.1 | 0 | 0 | 0 | 111.3 | R102 G126 P127 L132 N133 N134 | R102-D130 IonicContact CZ-OD1 2.96Å; R102-D130 IonicContact NH1-OD1 2.63Å; R102-D130 PolarHBondContact NH1-OD1 3.24Å; R102-D130 IonicContact NH2-OD1 2.79Å; R102-D130 PolarHBondContact NH2-OD1 3.38Å; G126-D130 PolarHBondContact O-N 3.28Å; G126-D130 VanDerWaalsContact O-N 3.15Å; P127-D130 PolarHBondContact O-N 2.9Å; D130-L132 VanDerWaalsContact C-N 3.31Å; D130-L132 PolarHBondContact O-N 3.46Å; D130-N133 PolarHBondContact O-N 3.45Å; D130-N134 WeakPolarHBondContact O-CB 3.39Å; D130-N134 VanDerWaalsContact O-CG 3.26Å; D130-N134 PolarHBondContact O-N 3.21Å; D130-N134 PolarHBondContact O-ND2 3Å; D130-N134 VanDerWaalsContact O-ND2 3.14Å |
| 131 | N | 94.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 171.8 | -74 | -16.1 | 0 | 0 | 0 | 112 | P127 A128 N134 G135 T136 L137 | P127-N131 WeakPolarHBondContact O-CB 3.5Å; P127-N131 PolarHBondContact O-N 2.94Å; A128-N131 PolarHBondContact O-N 3.31Å; N131-N134 CarbonylContact O-C 3.55Å; N131-N134 PolarHBondContact O-N 3.32Å; N131-G135 PolarHBondContact O-N 3.41Å; N131-T136 WeakPolarHBondContact CA-OG1 3.27Å; N131-T136 WeakPolarHBondContact CB-OG1 3.43Å; N131-T136 PolarHBondContact O-N 3.29Å; N131-T136 PolarHBondContact O-OG1 2.74Å; N131-T136 PolarHBondContact OD1-OG1 3.45Å; N131-L137 HydrophobicContact CB-CB 3.97Å; N131-L137 HydrophobicContact CB-CD1 4.23Å; N131-L137 PolarHBondContact O-N 2.67Å |
| 132 | L | 92.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 33 Ų | 33 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.1 | 178.2 | 64.4 | 0 | 0 | 0 | 111 | P97 L101 A128 V129 D130 N134 G135 L137 | P97-L132 HydrophobicContact CB-CD2 3.79Å; L101-L132 HydrophobicContact CD1-CD2 3.72Å; A128-L132 WeakPolarHBondContact O-CB 3.31Å; A128-L132 PolarHBondContact O-N 3.33Å; V129-L132 WeakPolarHBondContact O-CB 3.08Å; V129-L132 PolarHBondContact O-N 3.01Å; D130-L132 VanDerWaalsContact C-N 3.31Å; D130-L132 PolarHBondContact O-N 3.46Å; L132-N134 VanDerWaalsContact C-N 3.26Å; L132-N134 PolarHBondContact O-N 2.96Å; L132-G135 PolarHBondContact O-N 3.31Å; L132-G135 VanDerWaalsContact O-N 3.16Å; L132-L137 HydrophobicContact CB-CB 4.24Å; L132-L137 HydrophobicContact CB-CD2 4Å; L132-L137 HydrophobicContact CD1-CD2 4.13Å |
| 133 | N | 89.1 | Confident | 93 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66 | -30.2 | 178.8 | -170 | 41.9 | 0 | 0 | 0 | 112.6 | V129 D130 G135 | V129-N133 PolarHBondContact O-N 2.94Å; D130-N133 PolarHBondContact O-N 3.45Å; N133-G135 VanDerWaalsContact C-N 3.33Å |
| 134 | N | 87.8 | Confident | 92.8 | Very high | 112 Ų | 112 | 41.1 Ų | 41.1 | 60% | 0.599 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.7 | 176.6 | -65.7 | -29.7 | 0 | 0 | 0 | 113.6 | D130 N131 L132 T136 | D130-N134 WeakPolarHBondContact O-CB 3.39Å; D130-N134 VanDerWaalsContact O-CG 3.26Å; D130-N134 PolarHBondContact O-N 3.21Å; D130-N134 PolarHBondContact O-ND2 3Å; D130-N134 VanDerWaalsContact O-ND2 3.14Å; N131-N134 CarbonylContact O-C 3.55Å; N131-N134 PolarHBondContact O-N 3.32Å; L132-N134 VanDerWaalsContact C-N 3.26Å; L132-N134 PolarHBondContact O-N 2.96Å; N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 HydrophobicContact CB-CG2 4.45Å; N134-T136 PolarHBondContact O-N 2.68Å |
| 135 | G | 83.1 | Confident | 92.8 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 73% | 0.732 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N131 L132 N133 | N131-G135 PolarHBondContact O-N 3.41Å; L132-G135 PolarHBondContact O-N 3.31Å; L132-G135 VanDerWaalsContact O-N 3.16Å; N133-G135 VanDerWaalsContact C-N 3.33Å |
| 136 | T | 86.8 | Confident | 92.8 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | trans | -112.5 | 0.8 | -177.1 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | N131 N134 N138 T141 | N131-T136 WeakPolarHBondContact CA-OG1 3.27Å; N131-T136 WeakPolarHBondContact CB-OG1 3.43Å; N131-T136 PolarHBondContact O-N 3.29Å; N131-T136 PolarHBondContact O-OG1 2.74Å; N131-T136 PolarHBondContact OD1-OG1 3.45Å; N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 HydrophobicContact CB-CG2 4.45Å; N134-T136 PolarHBondContact O-N 2.68Å; T136-N138 PolarHBondContact O-N 2.82Å; T136-T141 VanDerWaalsContact O-CG2 3.31Å; T136-T141 WeakPolarHBondContact O-CG2 3.48Å; T136-T141 PolarHBondContact O-OG1 2.78Å | ||
| 137 | L | 89.6 | Confident | 92.8 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | trans | -71 | 121.4 | 179.4 | -177.4 | 69.3 | 0 | 0 | 0 | 111.2 | A128 N131 L132 L142 F181 M184 I185 | A128-L137 HydrophobicContact CB-CD1 3.98Å; N131-L137 HydrophobicContact CB-CB 3.97Å; N131-L137 HydrophobicContact CB-CD1 4.23Å; N131-L137 PolarHBondContact O-N 2.67Å; L132-L137 HydrophobicContact CB-CB 4.24Å; L132-L137 HydrophobicContact CB-CD2 4Å; L132-L137 HydrophobicContact CD1-CD2 4.13Å; L137-L142 HydrophobicContact CD1-CD2 3.87Å; L137-L142 HydrophobicContact CD1-CG 4.06Å; L137-F181 HydrophobicContact CD2-CD1 4.01Å; L137-M184 HydrophobicContact CD2-CE 4.27Å; L137-I185 HydrophobicContact CD2-CD1 4.08Å; L137-I185 HydrophobicContact CD2-CG1 4.23Å; L137-I185 HydrophobicContact CG-CD1 3.87Å; L137-I185 HydrophobicContact CG-CG1 4.46Å | ||
| 138 | N | 87.4 | Confident | 92.8 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -156.4 | -178.2 | 176.8 | 65.8 | 12.1 | 0 | 0 | 0 | 110.9 | T136 A140 T141 L142 D237 | T136-N138 PolarHBondContact O-N 2.82Å; N138-A140 PolarHBondContact O-N 2.85Å; N138-A140 PolarHBondContact OD1-N 2.93Å; N138-T141 PolarHBondContact N-OG1 3.15Å; N138-T141 PolarHBondContact O-N 3.47Å; N138-T141 PolarHBondContact O-OG1 3.13Å; N138-T141 WeakPolarHBondContact OD1-CB 3.45Å; N138-T141 WeakPolarHBondContact OD1-CG2 3.07Å; N138-T141 PolarHBondContact OD1-N 3.44Å; N138-T141 PolarHBondContact OD1-OG1 3.41Å; N138-L142 WeakPolarHBondContact O-CG 3.15Å; N138-L142 PolarHBondContact O-N 3.14Å; N138-L142 VanDerWaalsContact O-N 3.07Å; N138-D237 WeakPolarHBondContact CB-OD2 3.48Å |
| 139 | T | 87.5 | Confident | 92.8 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | -178.9 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | T141 L142 E143 E182 I213 | T139-T141 PolarHBondContact O-N 3.17Å; T139-L142 WeakPolarHBondContact O-CB 3.4Å; T139-L142 PolarHBondContact O-N 3.05Å; T139-L142 VanDerWaalsContact O-N 3.17Å; T139-E143 WeakPolarHBondContact O-CG 3.41Å; T139-E143 PolarHBondContact O-N 2.85Å; T139-E182 HydrophobicContact CG2-CG 4.04Å; T139-I213 HydrophobicContact CG2-CG2 4.1Å |
| 140 | A | 85 | Confident | 92.8 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N138 E143 I144 | N138-A140 PolarHBondContact O-N 2.85Å; N138-A140 PolarHBondContact OD1-N 2.93Å; A140-E143 PolarHBondContact O-N 2.66Å; A140-I144 WeakPolarHBondContact O-CG1 3.28Å; A140-I144 PolarHBondContact O-N 2.68Å; A140-I144 VanDerWaalsContact O-N 3.1Å |
| 141 | T | 93.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 176.3 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | T136 N138 T139 I144 L145 | T136-T141 VanDerWaalsContact O-CG2 3.31Å; T136-T141 WeakPolarHBondContact O-CG2 3.48Å; T136-T141 PolarHBondContact O-OG1 2.78Å; N138-T141 PolarHBondContact N-OG1 3.15Å; N138-T141 PolarHBondContact O-N 3.47Å; N138-T141 PolarHBondContact O-OG1 3.13Å; N138-T141 WeakPolarHBondContact OD1-CB 3.45Å; N138-T141 WeakPolarHBondContact OD1-CG2 3.07Å; N138-T141 PolarHBondContact OD1-N 3.44Å; N138-T141 PolarHBondContact OD1-OG1 3.41Å; T139-T141 PolarHBondContact O-N 3.17Å; T141-I144 PolarHBondContact O-N 3.38Å; T141-L145 VanDerWaalsContact O-CG 3.25Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 2.83Å |
| 142 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.5 | -71.3 | 171.6 | 0 | 0 | 0 | 112.2 | L124 A128 L137 N138 T139 I144 L145 V146 F181 E182 I185 I213 | L124-L142 HydrophobicContact CD1-CD2 4.44Å; L124-L142 HydrophobicContact CD2-CD2 4.43Å; A128-L142 HydrophobicContact CB-CD2 4.18Å; L137-L142 HydrophobicContact CD1-CD2 3.87Å; L137-L142 HydrophobicContact CD1-CG 4.06Å; N138-L142 WeakPolarHBondContact O-CG 3.15Å; N138-L142 PolarHBondContact O-N 3.14Å; N138-L142 VanDerWaalsContact O-N 3.07Å; T139-L142 WeakPolarHBondContact O-CB 3.4Å; T139-L142 PolarHBondContact O-N 3.05Å; T139-L142 VanDerWaalsContact O-N 3.17Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 3.13Å; L142-L145 PolarHBondContact O-N 3.06Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.36Å; L142-F181 HydrophobicContact CD1-CB 3.8Å; L142-F181 HydrophobicContact CD2-CB 3.65Å; L142-F181 HydrophobicContact CD2-CG 4.2Å; L142-F181 HydrophobicContact CG-CB 4.39Å; L142-E182 HydrophobicContact CD1-CB 4.17Å; L142-I185 HydrophobicContact CD1-CD1 3.88Å; L142-I213 HydrophobicContact CB-CD1 4.35Å |
| 143 | E | 94.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 175.7 | -72.8 | 173.3 | -168.6 | 0 | 0 | 111.8 | T139 A140 L145 V146 E147 I213 | T139-E143 WeakPolarHBondContact O-CG 3.41Å; T139-E143 PolarHBondContact O-N 2.85Å; A140-E143 PolarHBondContact O-N 2.66Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.9Å; E143-V146 PolarHBondContact O-N 2.65Å; E143-E147 WeakPolarHBondContact O-CB 3.16Å; E143-E147 WeakPolarHBondContact O-CG 3.45Å; E143-E147 PolarHBondContact O-N 2.67Å; E143-I213 HydrophobicContact CG-CB 4.09Å; E143-I213 HydrophobicContact CG-CG2 3.71Å |
| 144 | I | 96.2 | Very high | 93.8 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 176.2 | -69.5 | 165.4 | 0 | 0 | 0 | 110.8 | A140 T141 L142 E147 Q148 | A140-I144 WeakPolarHBondContact O-CG1 3.28Å; A140-I144 PolarHBondContact O-N 2.68Å; A140-I144 VanDerWaalsContact O-N 3.1Å; T141-I144 PolarHBondContact O-N 3.38Å; L142-I144 VanDerWaalsContact C-N 3.35Å; L142-I144 PolarHBondContact O-N 3.13Å; I144-E147 PolarHBondContact O-N 3.12Å; I144-Q148 HydrophobicContact CG2-CG 4.42Å; I144-Q148 WeakPolarHBondContact O-CB 3.38Å; I144-Q148 VanDerWaalsContact O-CG 3.23Å; I144-Q148 WeakPolarHBondContact O-CG 3.25Å; I144-Q148 PolarHBondContact O-N 3.02Å |
| 145 | L | 98 | Very high | 94.3 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | -179.5 | -67.6 | 177.2 | 0 | 0 | 0 | 112.2 | L124 P127 A128 T141 L142 E143 Q148 | L124-L145 HydrophobicContact CD1-CB 3.77Å; P127-L145 HydrophobicContact CB-CD1 3.82Å; P127-L145 HydrophobicContact CB-CD2 3.36Å; P127-L145 HydrophobicContact CB-CG 4.21Å; P127-L145 HydrophobicContact CG-CD2 4.06Å; A128-L145 HydrophobicContact CB-CD1 4.04Å; T141-L145 VanDerWaalsContact O-CG 3.25Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 2.83Å; L142-L145 PolarHBondContact O-N 3.06Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.9Å; L145-Q148 PolarHBondContact O-N 3.03Å |
| 146 | V | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 172.9 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | L124 L142 E143 Q148 T149 I170 M175 A178 | L124-V146 HydrophobicContact CD1-CG2 3.58Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.36Å; E143-V146 PolarHBondContact O-N 2.65Å; V146-Q148 VanDerWaalsContact C-N 3.28Å; V146-Q148 PolarHBondContact O-N 2.84Å; V146-T149 WeakPolarHBondContact O-CB 3.04Å; V146-T149 WeakPolarHBondContact O-CG2 3.45Å; V146-T149 PolarHBondContact O-N 3.06Å; V146-T149 PolarHBondContact O-OG1 3.22Å; V146-I170 HydrophobicContact CG1-CD1 4.06Å; V146-I170 HydrophobicContact CG1-CG1 4.41Å; V146-I170 HydrophobicContact CG1-CG2 3.46Å; V146-I170 VanDerWaalsContact CG1-CG2 3.46Å; V146-M175 HydrophobicContact CB-SD 4.33Å; V146-M175 HydrophobicContact CG1-CB 4.49Å; V146-M175 HydrophobicContact CG1-SD 3.42Å; V146-M175 WeakPolarHBondContact CG1-SD 3.46Å; V146-M175 HydrophobicContact CG2-SD 4.02Å; V146-A178 HydrophobicContact CG2-CB 3.41Å; V146-A178 VanDerWaalsContact CG2-CB 3.41Å |
| 147 | E | 98.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | -177 | -81.2 | -65.3 | 145.4 | 0 | 0 | 112.4 | E143 I144 T149 K150 I170 | E143-E147 WeakPolarHBondContact O-CB 3.16Å; E143-E147 WeakPolarHBondContact O-CG 3.45Å; E143-E147 PolarHBondContact O-N 2.67Å; I144-E147 PolarHBondContact O-N 3.12Å; E147-T149 PolarHBondContact O-N 3.45Å; E147-T149 VanDerWaalsContact O-N 3.16Å; E147-K150 WeakPolarHBondContact O-CB 3.25Å; E147-K150 WeakPolarHBondContact O-CG 3.29Å; E147-K150 PolarHBondContact O-N 3.29Å; E147-K150 VanDerWaalsContact O-N 3.07Å; E147-K150 WeakPolarHBondContact OE1-CE 3.38Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 3.06Å; E147-K150 WeakPolarHBondContact OE2-CD 3.47Å; E147-K150 WeakPolarHBondContact OE2-CE 3.42Å; E147-K150 IonicContact OE2-NZ 3.8Å; E147-K150 PolarHBondContact OE2-NZ 3.42Å; E147-I170 WeakPolarHBondContact OE1-CD1 3.3Å |
| 148 | Q | 98.2 | Very high | 95.6 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -27.4 | 175.6 | -77.8 | 173.1 | -4.6 | 0 | 0 | 113.1 | I144 L145 V146 K150 N151 | I144-Q148 HydrophobicContact CG2-CG 4.42Å; I144-Q148 WeakPolarHBondContact O-CB 3.38Å; I144-Q148 VanDerWaalsContact O-CG 3.23Å; I144-Q148 WeakPolarHBondContact O-CG 3.25Å; I144-Q148 PolarHBondContact O-N 3.02Å; L145-Q148 PolarHBondContact O-N 3.03Å; V146-Q148 VanDerWaalsContact C-N 3.28Å; V146-Q148 PolarHBondContact O-N 2.84Å; Q148-K150 PolarHBondContact O-N 3.44Å; Q148-K150 VanDerWaalsContact O-N 3.17Å; Q148-N151 PolarHBondContact O-N 3.4Å |
| 149 | T | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.4 | 177.2 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | K119 D123 V146 E147 N151 I152 D171 A174 | K119-T149 PolarHBondContact NZ-O 3.36Å; D123-T149 HydrophobicContact CB-CG2 4.13Å; V146-T149 WeakPolarHBondContact O-CB 3.04Å; V146-T149 WeakPolarHBondContact O-CG2 3.45Å; V146-T149 PolarHBondContact O-N 3.06Å; V146-T149 PolarHBondContact O-OG1 3.22Å; E147-T149 PolarHBondContact O-N 3.45Å; E147-T149 VanDerWaalsContact O-N 3.16Å; T149-N151 PolarHBondContact O-N 3.49Å; T149-I152 PolarHBondContact O-N 3.21Å; T149-I152 VanDerWaalsContact O-N 3.17Å; T149-D171 HydrophobicContact CG2-CB 4.32Å; T149-D171 PolarHBondContact OG1-N 2.94Å; T149-A174 HydrophobicContact CG2-CB 3.69Å |
| 150 | K | 98.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -55.9 | -32.8 | 174.2 | -68.8 | -179.1 | -177.2 | 163.3 | 0 | 112.3 | E147 Q148 I152 G168 H169 I170 | E147-K150 WeakPolarHBondContact O-CB 3.25Å; E147-K150 WeakPolarHBondContact O-CG 3.29Å; E147-K150 PolarHBondContact O-N 3.29Å; E147-K150 VanDerWaalsContact O-N 3.07Å; E147-K150 WeakPolarHBondContact OE1-CE 3.38Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 3.06Å; E147-K150 WeakPolarHBondContact OE2-CD 3.47Å; E147-K150 WeakPolarHBondContact OE2-CE 3.42Å; E147-K150 IonicContact OE2-NZ 3.8Å; E147-K150 PolarHBondContact OE2-NZ 3.42Å; Q148-K150 PolarHBondContact O-N 3.44Å; Q148-K150 VanDerWaalsContact O-N 3.17Å; K150-I152 VanDerWaalsContact C-N 3.32Å; K150-I152 PolarHBondContact O-N 3.13Å; K150-G168 PolarHBondContact O-N 2.56Å; K150-H169 WeakPolarHBondContact CA-O 3.23Å; K150-I170 HydrophobicContact CD-CG1 4.12Å; K150-I170 HydrophobicContact CG-CG1 3.75Å |
| 151 | N | 98 | Very high | 97.1 | Very high | 130 Ų | 130 | 59.8 Ų | 59.8 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -85.1 | -5.2 | -174 | -59.1 | -42.9 | 0 | 0 | 0 | 113.6 | Q148 T149 | Q148-N151 PolarHBondContact O-N 3.4Å; T149-N151 PolarHBondContact O-N 3.49Å |
| 152 | I | 98.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -98.6 | 129.4 | -175.5 | -48.4 | 175.9 | 0 | 0 | 0 | 109.5 | G117 K119 D123 T149 K150 | G117-I152 VanDerWaalsContact O-CG2 3.25Å; G117-I152 WeakPolarHBondContact O-CG2 3.25Å; K119-I152 HydrophobicContact CB-CB 3.99Å; K119-I152 HydrophobicContact CB-CG2 3.84Å; K119-I152 WeakPolarHBondContact CD-O 3.48Å; K119-I152 HydrophobicContact CG-CB 4.22Å; K119-I152 PolarHBondContact NZ-O 3.07Å; K119-I152 VanDerWaalsContact NZ-O 3.17Å; D123-I152 HydrophobicContact CB-CD1 4.13Å; D123-I152 WeakPolarHBondContact OD1-CD1 3.39Å; T149-I152 PolarHBondContact O-N 3.21Å; T149-I152 VanDerWaalsContact O-N 3.17Å; K150-I152 VanDerWaalsContact C-N 3.32Å; K150-I152 PolarHBondContact O-N 3.13Å |
| 153 | K | 98.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 123.4 | 168 | -169.1 | -173.6 | 82.8 | 179.1 | 0 | 109.1 | T155 E164 I167 | K153-T155 PolarHBondContact O-N 3.35Å; K153-E164 HydrophobicContact CD-CG 4.11Å; K153-I167 HydrophobicContact CB-CD1 4.12Å; K153-I167 HydrophobicContact CB-CG1 4.05Å; K153-I167 HydrophobicContact CG-CD1 4.48Å; K153-I167 HydrophobicContact CG-CG1 4.45Å |
| 154 | A | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 130.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K119 A159 S166 | K119-A154 HydrophobicContact CB-CB 4.03Å; K119-A154 HydrophobicContact CD-CB 3.73Å; A154-A159 HydrophobicContact CB-CB 3.47Å; A154-A159 VanDerWaalsContact CB-CB 3.47Å; A154-A159 WeakPolarHBondContact CB-O 3.27Å; A154-S166 PolarHBondContact N-OG 3.18Å |
| 155 | T | 97.8 | Very high | 97.5 | Very high | 66 Ų | 66 | 70.6 Ų | 70.6 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | trans | -118 | -3.5 | 170.5 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | E118 K153 | E118-T155 WeakPolarHBondContact CB-OG1 3.31Å; E118-T155 VanDerWaalsContact CD-OG1 3.29Å; E118-T155 WeakPolarHBondContact CG-OG1 3.45Å; E118-T155 PolarHBondContact O-N 3.22Å; E118-T155 PolarHBondContact OE1-OG1 2.93Å; K153-T155 PolarHBondContact O-N 3.35Å | ||
| 156 | K | 96.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 70.1 Ų | 70.1 | 22% | 0.222 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -129.7 | 165 | 179.5 | -62.5 | -69 | 169.4 | 178.9 | 0 | 111.9 | N113 E118 T120 S160 | N113-K156 WeakPolarHBondContact O-CE 3.5Å; N113-K156 PolarHBondContact O-NZ 2.85Å; E118-K156 HydrophobicContact CB-CG 3.92Å; E118-K156 VanDerWaalsContact CD-CE 3.41Å; E118-K156 HydrophobicContact CG-CG 4.48Å; E118-K156 WeakPolarHBondContact OE1-CE 3.45Å; E118-K156 WeakPolarHBondContact OE2-CE 3.5Å; T120-K156 HydrophobicContact CG2-CB 3.7Å; T120-K156 HydrophobicContact CG2-CG 4.35Å; K156-S160 PolarHBondContact O-N 3.47Å |
| 157 | G | 95 | Very high | 97.6 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -167.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | A159 S160 | G157-A159 PolarHBondContact O-N 2.96Å; G157-S160 WeakPolarHBondContact O-CB 3.15Å; G157-S160 PolarHBondContact O-N 3.3Å; G157-S160 PolarHBondContact O-OG 2.89Å |
| 158 | R | 96 | Very high | 97.6 | Very high | 123 Ų | 123 | 71.8 Ų | 71.8 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -64.8 | -29.1 | 176.9 | -66.5 | 178.5 | 178.9 | -86.1 | 12.3 | 112.4 | I32 D34 S160 Y161 | I32-R158 CarbonylContact O-C 3.42Å; D34-R158 VanDerWaalsContact CG-CD 3.49Å; D34-R158 VanDerWaalsContact CG-CZ 3.48Å; D34-R158 WeakPolarHBondContact OD1-CD 3.34Å; D34-R158 IonicContact OD1-CZ 3.83Å; D34-R158 IonicContact OD1-NE 3.58Å; D34-R158 PolarHBondContact OD1-NE 3.04Å; D34-R158 VanDerWaalsContact OD1-NE 3.08Å; D34-R158 IonicContact OD2-CZ 3.36Å; D34-R158 IonicContact OD2-NE 2.84Å; D34-R158 PolarHBondContact OD2-NE 3.12Å; D34-R158 IonicContact OD2-NH1 2.65Å; D34-R158 IonicContact OD2-NH2 2.78Å; D34-R158 PolarHBondContact OD2-NH2 2.65Å; R158-S160 PolarHBondContact O-N 2.76Å; R158-Y161 HydrophobicContact CB-CD2 4.35Å; R158-Y161 HydrophobicContact CB-CE2 4.41Å; R158-Y161 HydrophobicContact CG-CE2 4.24Å; R158-Y161 VanDerWaalsContact O-CB 3.24Å; R158-Y161 WeakPolarHBondContact O-CB 3.4Å; R158-Y161 PolarHBondContact O-N 3.32Å |
| 159 | A | 97.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -58.7 | -30.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I32 A154 G157 Y161 V162 | I32-A159 HydrophobicContact CB-CB 3.96Å; I32-A159 HydrophobicContact CD1-CB 4.17Å; I32-A159 HydrophobicContact CG1-CB 4.28Å; I32-A159 WeakPolarHBondContact O-CA 3.43Å; I32-A159 WeakPolarHBondContact O-CB 3.42Å; I32-A159 PolarHBondContact O-N 2.97Å; A154-A159 HydrophobicContact CB-CB 3.47Å; A154-A159 VanDerWaalsContact CB-CB 3.47Å; A154-A159 WeakPolarHBondContact CB-O 3.27Å; G157-A159 PolarHBondContact O-N 2.96Å; A159-Y161 PolarHBondContact O-N 3.3Å; A159-V162 WeakPolarHBondContact O-CG2 3.48Å; A159-V162 PolarHBondContact O-N 2.87Å |
| 160 | S | 97.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -61.6 | -24.7 | 174.2 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | K156 G157 R158 V162 G163 | K156-S160 PolarHBondContact O-N 3.47Å; G157-S160 WeakPolarHBondContact O-CB 3.15Å; G157-S160 PolarHBondContact O-N 3.3Å; G157-S160 PolarHBondContact O-OG 2.89Å; R158-S160 PolarHBondContact O-N 2.76Å; S160-V162 VanDerWaalsContact C-N 3.28Å; S160-V162 PolarHBondContact O-N 3.23Å; S160-G163 PolarHBondContact O-N 3.17Å |
| 161 | Y | 97.3 | Very high | 97.6 | Very high | 182 Ų | 182 | 68.7 Ų | 68.7 | 71% | 0.714 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -71.5 | -22.8 | -177 | -56.7 | -20.7 | 0 | 0 | 0 | 113.1 | R158 A159 | R158-Y161 HydrophobicContact CB-CD2 4.35Å; R158-Y161 HydrophobicContact CB-CE2 4.41Å; R158-Y161 HydrophobicContact CG-CE2 4.24Å; R158-Y161 VanDerWaalsContact O-CB 3.24Å; R158-Y161 WeakPolarHBondContact O-CB 3.4Å; R158-Y161 PolarHBondContact O-N 3.32Å; A159-Y161 PolarHBondContact O-N 3.3Å |
| 162 | V | 97.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -92 | -2.4 | 177.5 | -58 | 0 | 0 | 0 | 0 | 113 | I32 A159 S160 E164 R165 | I32-V162 HydrophobicContact CB-CG2 4.36Å; I32-V162 HydrophobicContact CG2-CG2 4.17Å; A159-V162 WeakPolarHBondContact O-CG2 3.48Å; A159-V162 PolarHBondContact O-N 2.87Å; S160-V162 VanDerWaalsContact C-N 3.28Å; S160-V162 PolarHBondContact O-N 3.23Å; V162-E164 PolarHBondContact O-N 2.96Å; V162-R165 HydrophobicContact CB-CB 4.2Å; V162-R165 HydrophobicContact CG2-CB 4.43Å; V162-R165 WeakPolarHBondContact O-CB 3.24Å; V162-R165 PolarHBondContact O-N 3.46Å; V162-R165 VanDerWaalsContact O-N 3.13Å |
| 163 | G | 96.2 | Very high | 97.6 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | 57.9 | -129.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S160 R165 S166 | S160-G163 PolarHBondContact O-N 3.17Å; G163-R165 PolarHBondContact O-N 3.38Å; G163-S166 WeakPolarHBondContact O-CB 3.39Å; G163-S166 PolarHBondContact O-N 3.43Å; G163-S166 PolarHBondContact O-OG 2.85Å |
| 164 | E | 97.2 | Very high | 97.6 | Very high | 153 Ų | 153 | 56.7 Ų | 56.7 | 72% | 0.715 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -61.2 | -22.1 | 179.3 | -67.5 | -170.4 | 172.2 | 0 | 0 | 113.8 | K153 V162 S166 I167 | K153-E164 HydrophobicContact CD-CG 4.11Å; V162-E164 PolarHBondContact O-N 2.96Å; E164-S166 PolarHBondContact O-N 2.93Å; E164-S166 VanDerWaalsContact O-N 3.15Å; E164-I167 WeakPolarHBondContact O-CB 3.41Å; E164-I167 WeakPolarHBondContact O-CG1 3.43Å; E164-I167 PolarHBondContact O-N 3.46Å |
| 165 | R | 97.3 | Very high | 97.6 | Very high | 205 Ų | 205 | 57.2 Ų | 57.2 | 77% | 0.774 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -68.7 | -9.3 | 175.8 | -56.2 | -179 | -172.1 | 173.6 | 2.7 | 113.1 | V162 G163 I167 H169 | V162-R165 HydrophobicContact CB-CB 4.2Å; V162-R165 HydrophobicContact CG2-CB 4.43Å; V162-R165 WeakPolarHBondContact O-CB 3.24Å; V162-R165 PolarHBondContact O-N 3.46Å; V162-R165 VanDerWaalsContact O-N 3.13Å; G163-R165 PolarHBondContact O-N 3.38Å; R165-I167 VanDerWaalsContact C-N 3.26Å; R165-H169 PolarHBondContact O-CD2 3.15Å; R165-H169 VanDerWaalsContact O-CD2 3.32Å |
| 166 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -73.1 | -18.6 | 170.7 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | K119 A154 G163 E164 | K119-S166 WeakPolarHBondContact CE-O 3.33Å; K119-S166 PolarHBondContact NZ-O 3.27Å; A154-S166 PolarHBondContact N-OG 3.18Å; G163-S166 WeakPolarHBondContact O-CB 3.39Å; G163-S166 PolarHBondContact O-N 3.43Å; G163-S166 PolarHBondContact O-OG 2.85Å; E164-S166 PolarHBondContact O-N 2.93Å; E164-S166 VanDerWaalsContact O-N 3.15Å |
| 167 | I | 98.5 | Very high | 97.7 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 137.6 | 176 | -59.1 | 171.2 | 0 | 0 | 0 | 108.6 | K153 E164 R165 | K153-I167 HydrophobicContact CB-CD1 4.12Å; K153-I167 HydrophobicContact CB-CG1 4.05Å; K153-I167 HydrophobicContact CG-CD1 4.48Å; K153-I167 HydrophobicContact CG-CG1 4.45Å; E164-I167 WeakPolarHBondContact O-CB 3.41Å; E164-I167 WeakPolarHBondContact O-CG1 3.43Å; E164-I167 PolarHBondContact O-N 3.46Å; R165-I167 VanDerWaalsContact C-N 3.26Å |
| 168 | G | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -10.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K150 | K150-G168 PolarHBondContact O-N 2.56Š|
| 169 | H | 98.5 | Very high | 98 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 33% | 0.333 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -110.8 | 140.5 | -177.8 | -62.4 | -76.2 | 0 | 0 | 0 | 112 | P31 I32 K119 K150 R165 | P31-H169 HydrophobicContact CG-CB 4.45Å; P31-H169 WeakPolarHBondContact CG-ND1 3.37Å; I32-H169 HydrophobicContact CD1-CB 4.3Å; I32-H169 HydrophobicContact CG2-CB 3.76Å; K119-H169 VanDerWaalsContact CE-O 3.22Å; K119-H169 WeakPolarHBondContact CE-O 3.12Å; K119-H169 PolarHBondContact NZ-O 3.45Å; K150-H169 WeakPolarHBondContact CA-O 3.23Å; R165-H169 PolarHBondContact O-CD2 3.15Å; R165-H169 VanDerWaalsContact O-CD2 3.32Å |
| 170 | I | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | trans | -69.7 | 142.8 | 174.4 | -63.9 | 174.2 | 0 | 0 | 0 | 109.1 | L28 I32 V146 E147 K150 M175 | L28-I170 HydrophobicContact CD1-CB 4.23Å; L28-I170 HydrophobicContact CD1-CG2 3.95Å; L28-I170 HydrophobicContact CD2-CB 4.03Å; L28-I170 HydrophobicContact CD2-CD1 4.41Å; I32-I170 WeakPolarHBondContact CD1-O 3.47Å; V146-I170 HydrophobicContact CG1-CD1 4.06Å; V146-I170 HydrophobicContact CG1-CG1 4.41Å; V146-I170 HydrophobicContact CG1-CG2 3.46Å; V146-I170 VanDerWaalsContact CG1-CG2 3.46Å; E147-I170 WeakPolarHBondContact OE1-CD1 3.3Å; K150-I170 HydrophobicContact CD-CG1 4.12Å; K150-I170 HydrophobicContact CG-CG1 3.75Å; I170-M175 HydrophobicContact CG2-CB 4.19Å | ||
| 171 | D | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | trans | -74.1 | 122.2 | 168.8 | -179.5 | 58.4 | 0 | 0 | 0 | 111.3 | K119 T120 M121 T149 G173 A174 M175 | K119-D171 HydrophobicContact CG-CB 4.19Å; T120-D171 WeakPolarHBondContact CA-OD2 3.44Å; M121-D171 PolarHBondContact N-OD2 3.35Å; T149-D171 HydrophobicContact CG2-CB 4.32Å; T149-D171 PolarHBondContact OG1-N 2.94Å; D171-G173 VanDerWaalsContact C-N 3.25Å; D171-G173 PolarHBondContact O-N 3.46Å; D171-G173 VanDerWaalsContact OD2-CA 3.3Å; D171-G173 WeakPolarHBondContact OD2-CA 3.34Å; D171-G173 PolarHBondContact OD2-N 3.42Å; D171-A174 HydrophobicContact CB-CB 3.94Å; D171-A174 PolarHBondContact O-N 3.43Å; D171-A174 PolarHBondContact OD2-N 3.33Å; D171-M175 PolarHBondContact O-N 3.37Å | ||
| 172 | P | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -29.4 | 179.1 | 28 | -37.5 | 0 | 0 | 0 | 112.5 | L28 D29 H37 M175 S176 | L28-P172 HydrophobicContact CB-CB 4.18Å; D29-P172 HydrophobicContact CB-CB 4.06Å; D29-P172 HydrophobicContact CB-CG 3.82Å; H37-P172 HydrophobicContact CB-CB 4.09Å; H37-P172 HydrophobicContact CB-CG 4.41Å; H37-P172 PolarHBondContact NE2-O 3.48Å; H37-P172 VanDerWaalsContact NE2-O 3.09Å; P172-M175 PolarHBondContact O-N 3.12Å; P172-S176 WeakPolarHBondContact O-CB 3.4Å; P172-S176 PolarHBondContact O-N 2.81Å; P172-S176 PolarHBondContact O-OG 2.86Å |
| 173 | G | 98 | Very high | 97.8 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -49.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | D171 S176 S177 | D171-G173 VanDerWaalsContact C-N 3.25Å; D171-G173 PolarHBondContact O-N 3.46Å; D171-G173 VanDerWaalsContact OD2-CA 3.3Å; D171-G173 WeakPolarHBondContact OD2-CA 3.34Å; D171-G173 PolarHBondContact OD2-N 3.42Å; G173-S176 PolarHBondContact O-OG 3.16Å; G173-S177 WeakPolarHBondContact O-CB 3.36Å; G173-S177 PolarHBondContact O-N 3.26Å; G173-S177 PolarHBondContact O-OG 3Å |
| 174 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L124 T149 D171 S177 A178 | L124-A174 HydrophobicContact CB-CB 4.08Å; T149-A174 HydrophobicContact CG2-CB 3.69Å; D171-A174 HydrophobicContact CB-CB 3.94Å; D171-A174 PolarHBondContact O-N 3.43Å; D171-A174 PolarHBondContact OD2-N 3.33Å; A174-S177 WeakPolarHBondContact O-CB 3.47Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-A178 PolarHBondContact O-N 3.45Å |
| 175 | M | 98.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 7% | 0.069 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.1 | -170.8 | 69.2 | -139.4 | 0 | 0 | 112 | Y24 L25 L28 V146 I170 D171 P172 S177 A178 Y179 I213 | Y24-M175 HydrophobicContact CE1-CG 4.07Å; Y24-M175 HydrophobicContact CE1-SD 4.29Å; L25-M175 HydrophobicContact CD2-CB 3.9Å; L25-M175 HydrophobicContact CD2-CG 3.87Å; L28-M175 HydrophobicContact CD1-CB 3.77Å; L28-M175 HydrophobicContact CD1-CG 3.77Å; V146-M175 HydrophobicContact CB-SD 4.33Å; V146-M175 HydrophobicContact CG1-CB 4.49Å; V146-M175 HydrophobicContact CG1-SD 3.42Å; V146-M175 WeakPolarHBondContact CG1-SD 3.46Å; V146-M175 HydrophobicContact CG2-SD 4.02Å; I170-M175 HydrophobicContact CG2-CB 4.19Å; D171-M175 PolarHBondContact O-N 3.37Å; P172-M175 PolarHBondContact O-N 3.12Å; M175-S177 PolarHBondContact O-N 2.78Å; M175-A178 WeakPolarHBondContact O-CB 3.35Å; M175-A178 PolarHBondContact O-N 3.27Å; M175-Y179 HydrophobicContact CE-CD1 4.1Å; M175-Y179 HydrophobicContact CE-CE1 3.27Å; M175-Y179 HydrophobicContact CE-CE2 4.22Å; M175-Y179 VanDerWaalsContact CE-OH 3.28Å; M175-Y179 WeakPolarHBondContact CE-OH 3.43Å; M175-Y179 HydrophobicContact CG-CE2 4.04Å; M175-Y179 PolarHBondContact O-N 2.87Å; M175-I213 HydrophobicContact CE-CD1 3.71Å; M175-I213 HydrophobicContact CE-CG1 3.95Å |
| 176 | S | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62 | -33.6 | 176.6 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | F14 H37 Y80 P172 G173 A178 Y179 F180 | F14-S176 VanDerWaalsContact CE2-O 3.25Å; F14-S176 WeakPolarHBondContact CE2-O 3.33Å; H37-S176 WeakPolarHBondContact NE2-CB 3.42Å; H37-S176 PolarHBondContact NE2-OG 2.95Å; Y80-S176 WeakPolarHBondContact OH-CB 3.37Å; Y80-S176 PolarHBondContact OH-OG 3.18Å; P172-S176 WeakPolarHBondContact O-CB 3.4Å; P172-S176 PolarHBondContact O-N 2.81Å; P172-S176 PolarHBondContact O-OG 2.86Å; G173-S176 PolarHBondContact O-OG 3.16Å; S176-A178 VanDerWaalsContact C-N 3.31Å; S176-Y179 PolarHBondContact O-N 2.88Å; S176-F180 PolarHBondContact O-N 2.93Å |
| 177 | S | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.7 | -34 | 175.5 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | Y80 W125 G173 A174 M175 Y179 F180 F181 | Y80-S177 VanDerWaalsContact OH-CA 3.3Å; Y80-S177 WeakPolarHBondContact OH-CA 3.45Å; Y80-S177 PolarHBondContact OH-N 3.16Å; Y80-S177 PolarHBondContact OH-OG 3.06Å; W125-S177 VanDerWaalsContact NE1-CB 3.29Å; W125-S177 PolarHBondContact NE1-OG 3.35Å; G173-S177 WeakPolarHBondContact O-CB 3.36Å; G173-S177 PolarHBondContact O-N 3.26Å; G173-S177 PolarHBondContact O-OG 3Å; A174-S177 WeakPolarHBondContact O-CB 3.47Å; A174-S177 PolarHBondContact O-N 2.97Å; M175-S177 PolarHBondContact O-N 2.78Å; S177-Y179 VanDerWaalsContact C-N 3.3Å; S177-Y179 PolarHBondContact O-N 3.42Å; S177-F180 WeakPolarHBondContact O-CA 3.49Å; S177-F180 WeakPolarHBondContact O-CB 3.43Å; S177-F180 PolarHBondContact O-N 3.03Å; S177-F181 WeakPolarHBondContact O-CD2 3.44Å; S177-F181 PolarHBondContact O-N 2.97Å |
| 178 | A | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L124 V146 A174 M175 S176 F180 F181 E182 I213 | L124-A178 HydrophobicContact CD1-CB 3.69Å; L124-A178 HydrophobicContact CD2-CB 3.86Å; L124-A178 HydrophobicContact CG-CB 4.43Å; V146-A178 HydrophobicContact CG2-CB 3.41Å; V146-A178 VanDerWaalsContact CG2-CB 3.41Å; A174-A178 PolarHBondContact O-N 3.45Å; M175-A178 WeakPolarHBondContact O-CB 3.35Å; M175-A178 PolarHBondContact O-N 3.27Å; S176-A178 VanDerWaalsContact C-N 3.31Å; A178-F180 VanDerWaalsContact C-N 3.33Å; A178-F180 PolarHBondContact O-N 3.09Å; A178-F181 PolarHBondContact O-N 3.18Å; A178-E182 WeakPolarHBondContact O-CB 3.28Å; A178-E182 PolarHBondContact O-N 3.21Å; A178-I213 HydrophobicContact CB-CD1 3.27Å |
| 179 | Y | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | 168.8 | -58.2 | -41.1 | 0 | 0 | 0 | 113.2 | K17 I18 K21 L25 M175 S176 S177 S183 G211 I213 | K17-Y179 HydrophobicContact CB-CG 4.32Å; K17-Y179 HydrophobicContact CD-CD1 4.46Å; I18-Y179 HydrophobicContact CD1-CD2 4.25Å; K21-Y179 HydrophobicContact CB-CE2 3.75Å; K21-Y179 WeakPolarHBondContact CD-OH 3.17Å; K21-Y179 HydrophobicContact CG-CE1 4.34Å; K21-Y179 HydrophobicContact CG-CE2 3.96Å; K21-Y179 WeakPolarHBondContact CG-OH 3.3Å; L25-Y179 HydrophobicContact CD1-CD2 4.44Å; L25-Y179 HydrophobicContact CD1-CE2 4.16Å; L25-Y179 HydrophobicContact CD2-CE2 3.96Å; L25-Y179 HydrophobicContact CG-CE2 4.12Å; M175-Y179 HydrophobicContact CE-CD1 4.1Å; M175-Y179 HydrophobicContact CE-CE1 3.27Å; M175-Y179 HydrophobicContact CE-CE2 4.22Å; M175-Y179 VanDerWaalsContact CE-OH 3.28Å; M175-Y179 WeakPolarHBondContact CE-OH 3.43Å; M175-Y179 HydrophobicContact CG-CE2 4.04Å; M175-Y179 PolarHBondContact O-N 2.87Å; S176-Y179 PolarHBondContact O-N 2.88Å; S177-Y179 VanDerWaalsContact C-N 3.3Å; S177-Y179 PolarHBondContact O-N 3.42Å; Y179-S183 WeakPolarHBondContact O-CB 3.34Å; Y179-S183 PolarHBondContact O-N 2.98Å; Y179-S183 PolarHBondContact O-OG 3.47Å; Y179-G211 WeakPolarHBondContact CE1-O 3.28Å; Y179-I213 HydrophobicContact CD1-CD1 4.27Å; Y179-I213 HydrophobicContact CD1-CG1 3.7Å; Y179-I213 HydrophobicContact CE1-CD1 4.45Å; Y179-I213 HydrophobicContact CE1-CG1 3.79Å |
| 180 | F | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.8 | 172.6 | -100.5 | 0 | 0 | 0 | 111.7 | T10 F14 M84 L101 W125 S176 S177 A178 S183 M184 | T10-F180 HydrophobicContact CG2-CD2 4.17Å; T10-F180 HydrophobicContact CG2-CE2 3.78Å; T10-F180 HydrophobicContact CG2-CZ 4.4Å; F14-F180 HydrophobicContact CD1-CB 4.39Å; F14-F180 AromaticContact CD1-CD2 3.94Å; F14-F180 HydrophobicContact CD1-CD2 3.94Å; F14-F180 HydrophobicContact CD2-CB 3.95Å; F14-F180 HydrophobicContact CE1-CB 4.29Å; F14-F180 HydrophobicContact CE1-CD2 4.28Å; F14-F180 HydrophobicContact CE2-CB 3.86Å; F14-F180 HydrophobicContact CG-CB 4.23Å; F14-F180 HydrophobicContact CG-CD2 4.19Å; F14-F180 HydrophobicContact CZ-CB 4.03Å; M84-F180 HydrophobicContact CE-CD2 4.31Å; M84-F180 HydrophobicContact CE-CE2 3.66Å; M84-F180 HydrophobicContact CE-CZ 3.99Å; L101-F180 HydrophobicContact CD2-CE1 4.32Å; W125-F180 HydrophobicContact CH2-CD1 4.22Å; W125-F180 AromaticContact CH2-CE1 3.84Å; W125-F180 HydrophobicContact CH2-CE1 3.84Å; W125-F180 AromaticContact CZ2-CD1 3.97Å; W125-F180 HydrophobicContact CZ2-CD1 3.97Å; W125-F180 HydrophobicContact CZ2-CE1 4.08Å; S176-F180 PolarHBondContact O-N 2.93Å; S177-F180 WeakPolarHBondContact O-CA 3.49Å; S177-F180 WeakPolarHBondContact O-CB 3.43Å; S177-F180 PolarHBondContact O-N 3.03Å; A178-F180 VanDerWaalsContact C-N 3.33Å; A178-F180 PolarHBondContact O-N 3.09Å; F180-S183 WeakPolarHBondContact O-CB 3.35Å; F180-S183 PolarHBondContact O-N 3.31Å; F180-M184 PolarHBondContact O-N 2.88Å |
| 181 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 178 | -83.3 | -94.1 | 0 | 0 | 0 | 112.3 | L101 L124 W125 A128 V129 L137 L142 S177 A178 S183 M184 I185 | L101-F181 HydrophobicContact CD1-CE1 3.96Å; L101-F181 HydrophobicContact CD1-CZ 4.48Å; L101-F181 HydrophobicContact CD2-CE1 4.35Å; L101-F181 HydrophobicContact CD2-CZ 4.19Å; L124-F181 HydrophobicContact CD2-CD2 3.89Å; L124-F181 HydrophobicContact CD2-CE2 4.29Å; W125-F181 HydrophobicContact CB-CE2 4.44Å; W125-F181 AromaticContact CD1-CE2 3.92Å; W125-F181 AromaticContact CD2-CE2 3.61Å; W125-F181 HydrophobicContact CD2-CE2 3.61Å; W125-F181 AromaticContact CD2-CZ 3.91Å; W125-F181 HydrophobicContact CD2-CZ 3.91Å; W125-F181 AromaticContact CE2-CE2 3.73Å; W125-F181 HydrophobicContact CE3-CE2 4.05Å; W125-F181 AromaticContact CE3-CZ 3.9Å; W125-F181 HydrophobicContact CE3-CZ 3.9Å; W125-F181 AromaticContact CG-CE2 3.78Å; W125-F181 HydrophobicContact CG-CE2 3.78Å; W125-F181 HydrophobicContact CG-CZ 4.17Å; W125-F181 HydrophobicContact CZ2-CE2 4.27Å; W125-F181 HydrophobicContact CZ3-CZ 4.4Å; W125-F181 AromaticContact NE1-CE2 3.91Å; A128-F181 HydrophobicContact CB-CD1 3.95Å; A128-F181 HydrophobicContact CB-CE1 3.73Å; A128-F181 HydrophobicContact CB-CE2 4.38Å; A128-F181 HydrophobicContact CB-CG 4.35Å; A128-F181 HydrophobicContact CB-CZ 3.98Å; V129-F181 HydrophobicContact CG2-CE1 4.32Å; V129-F181 HydrophobicContact CG2-CZ 4.27Å; L137-F181 HydrophobicContact CD2-CD1 4.01Å; L142-F181 HydrophobicContact CD1-CB 3.8Å; L142-F181 HydrophobicContact CD2-CB 3.65Å; L142-F181 HydrophobicContact CD2-CG 4.2Å; L142-F181 HydrophobicContact CG-CB 4.39Å; S177-F181 WeakPolarHBondContact O-CD2 3.44Å; S177-F181 PolarHBondContact O-N 2.97Å; A178-F181 PolarHBondContact O-N 3.18Å; F181-S183 VanDerWaalsContact C-N 3.33Å; F181-S183 PolarHBondContact O-N 3.25Å; F181-M184 HydrophobicContact CD1-CE 3.77Å; F181-M184 HydrophobicContact CE1-CE 4.21Å; F181-M184 WeakPolarHBondContact O-CB 3.42Å; F181-M184 PolarHBondContact O-N 2.92Å; F181-M184 VanDerWaalsContact O-N 3.14Å; F181-I185 VanDerWaalsContact O-CG1 3.28Å; F181-I185 WeakPolarHBondContact O-CG1 3.39Å; F181-I185 PolarHBondContact O-N 3.35Å |
| 182 | E | 95.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 173.3 | -177.7 | -178.4 | -134 | 0 | 0 | 110.9 | K17 T139 L142 A178 M184 I185 E186 G207 I213 G214 | K17-E182 WeakPolarHBondContact CD-OE2 3.41Å; K17-E182 WeakPolarHBondContact CE-OE2 3.49Å; K17-E182 IonicContact NZ-OE2 3.84Å; K17-E182 PolarHBondContact NZ-OE2 2.93Å; T139-E182 HydrophobicContact CG2-CG 4.04Å; L142-E182 HydrophobicContact CD1-CB 4.17Å; A178-E182 WeakPolarHBondContact O-CB 3.28Å; A178-E182 PolarHBondContact O-N 3.21Å; E182-M184 PolarHBondContact O-N 2.92Å; E182-I185 PolarHBondContact O-N 2.79Å; E182-E186 WeakPolarHBondContact O-CB 3.47Å; E182-E186 PolarHBondContact O-N 2.98Å; E182-G207 PolarHBondContact OE1-N 3.32Å; E182-I213 VanDerWaalsContact OE1-CA 3.31Å; E182-I213 WeakPolarHBondContact OE1-CA 3.09Å; E182-G214 PolarHBondContact OE1-N 3.44Å; E182-G214 VanDerWaalsContact OE1-N 3.13Å |
| 183 | S | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.3 | -32 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | T10 F14 K17 Y179 F180 F181 A187 | T10-S183 WeakPolarHBondContact O-CB 3.37Å; T10-S183 PolarHBondContact OG1-O 3.06Å; F14-S183 WeakPolarHBondContact CA-OG 3.33Å; F14-S183 PolarHBondContact N-OG 2.85Å; K17-S183 WeakPolarHBondContact CD-OG 3.41Å; K17-S183 WeakPolarHBondContact CE-OG 3.36Å; Y179-S183 WeakPolarHBondContact O-CB 3.34Å; Y179-S183 PolarHBondContact O-N 2.98Å; Y179-S183 PolarHBondContact O-OG 3.47Å; F180-S183 WeakPolarHBondContact O-CB 3.35Å; F180-S183 PolarHBondContact O-N 3.31Å; F181-S183 VanDerWaalsContact C-N 3.33Å; F181-S183 PolarHBondContact O-N 3.25Å; S183-A187 VanDerWaalsContact O-CB 3.3Å; S183-A187 WeakPolarHBondContact O-CB 3.45Å; S183-A187 PolarHBondContact O-N 3.16Å; S183-A187 VanDerWaalsContact O-N 3.11Å |
| 184 | M | 94.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 20.6 Ų | 20.6 | 9% | 0.089 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.7 | -43.3 | 175.7 | -175.6 | -171.7 | 71 | 0 | 0 | 111.7 | F2 T10 L101 L137 F180 F181 E182 G188 | F2-M184 HydrophobicContact CE1-CG 4.17Å; F2-M184 HydrophobicContact CE1-SD 4.35Å; F2-M184 HydrophobicContact CE2-SD 4.02Å; F2-M184 HydrophobicContact CZ-CG 3.87Å; F2-M184 HydrophobicContact CZ-SD 3.48Å; F2-M184 WeakPolarHBondContact CZ-SD 3.36Å; T10-M184 HydrophobicContact CG2-CB 4Å; T10-M184 WeakPolarHBondContact OG1-CA 3.28Å; L101-M184 HydrophobicContact CD1-CE 4.02Å; L101-M184 HydrophobicContact CD1-SD 4.02Å; L101-M184 HydrophobicContact CD2-SD 4.44Å; L137-M184 HydrophobicContact CD2-CE 4.27Å; F180-M184 PolarHBondContact O-N 2.88Å; F181-M184 HydrophobicContact CD1-CE 3.77Å; F181-M184 HydrophobicContact CE1-CE 4.21Å; F181-M184 WeakPolarHBondContact O-CB 3.42Å; F181-M184 PolarHBondContact O-N 2.92Å; F181-M184 VanDerWaalsContact O-N 3.14Å; E182-M184 PolarHBondContact O-N 2.92Å; M184-G188 PolarHBondContact O-N 3.32Å |
| 185 | I | 91.2 | Very high | 89.5 | Confident | 50 Ų | 50 | 25.5 Ų | 25.5 | 26% | 0.256 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62 | -49.1 | 176.9 | -65.2 | 160.6 | 0 | 0 | 0 | 109.6 | L137 L142 F181 E182 A187 G188 L189 | L137-I185 HydrophobicContact CD2-CD1 4.08Å; L137-I185 HydrophobicContact CD2-CG1 4.23Å; L137-I185 HydrophobicContact CG-CD1 3.87Å; L137-I185 HydrophobicContact CG-CG1 4.46Å; L142-I185 HydrophobicContact CD1-CD1 3.88Å; F181-I185 VanDerWaalsContact O-CG1 3.28Å; F181-I185 WeakPolarHBondContact O-CG1 3.39Å; F181-I185 PolarHBondContact O-N 3.35Å; E182-I185 PolarHBondContact O-N 2.79Å; I185-A187 PolarHBondContact O-N 2.97Å; I185-G188 PolarHBondContact O-N 3.34Å; I185-L189 PolarHBondContact O-N 3.22Å |
| 186 | E | 88.9 | Confident | 88.6 | Confident | 24 Ų | 24 | 27 Ų | 27 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | -179.1 | -172.1 | 178.3 | 161 | 0 | 0 | 111.8 | L13 K17 E182 G188 | L13-E186 HydrophobicContact CD1-CB 3.96Å; L13-E186 HydrophobicContact CD1-CG 3.81Å; K17-E186 IonicContact NZ-OE2 2.83Å; E182-E186 WeakPolarHBondContact O-CB 3.47Å; E182-E186 PolarHBondContact O-N 2.98Å; E186-G188 VanDerWaalsContact C-N 3.33Å; E186-G188 PolarHBondContact O-N 2.89Å |
| 187 | A | 91.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N6 K9 T10 L13 S183 I185 | N6-A187 HydrophobicContact CB-CB 4.33Å; N6-A187 WeakPolarHBondContact O-CB 3.43Å; K9-A187 HydrophobicContact CB-CB 3.98Å; K9-A187 HydrophobicContact CG-CB 4.01Å; T10-A187 VanDerWaalsContact OG1-CB 3.31Å; T10-A187 WeakPolarHBondContact OG1-CB 3.32Å; L13-A187 HydrophobicContact CD1-CB 4.38Å; S183-A187 VanDerWaalsContact O-CB 3.3Å; S183-A187 WeakPolarHBondContact O-CB 3.45Å; S183-A187 PolarHBondContact O-N 3.16Å; S183-A187 VanDerWaalsContact O-N 3.11Å; I185-A187 PolarHBondContact O-N 2.97Å |
| 188 | G | 87.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.2 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | M184 I185 E186 R191 L192 | M184-G188 PolarHBondContact O-N 3.32Å; I185-G188 PolarHBondContact O-N 3.34Å; E186-G188 VanDerWaalsContact C-N 3.33Å; E186-G188 PolarHBondContact O-N 2.89Å; G188-R191 PolarHBondContact O-N 3.41Å; G188-L192 PolarHBondContact O-N 2.93Å; G188-L192 VanDerWaalsContact O-N 3.07Å |
| 189 | L | 79 | Confident | 85.9 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | -179.5 | -179 | 59.5 | 0 | 0 | 0 | 111.6 | I185 R191 L192 I193 M263 V264 | I185-L189 PolarHBondContact O-N 3.22Å; L189-R191 PolarHBondContact O-N 3.47Å; L189-L192 PolarHBondContact O-N 3.29Å; L189-I193 HydrophobicContact CD1-CD1 3.81Å; L189-I193 HydrophobicContact CD1-CG1 4.3Å; L189-I193 HydrophobicContact CG-CD1 3.99Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.95Å; L189-M263 HydrophobicContact CD2-CE 4.06Å; L189-M263 HydrophobicContact CD2-SD 4.42Å; L189-V264 HydrophobicContact CD1-CB 4.47Å; L189-V264 HydrophobicContact CD1-CG1 4.2Å; L189-V264 HydrophobicContact CD1-CG2 4.11Å |
| 190 | K | 78.2 | Confident | 85.4 | Confident | 95 Ų | 95 | 44.7 Ų | 44.7 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 179.1 | -174.4 | 170.7 | -176.1 | 170.8 | 0 | 112.1 | G194 I202 T204 | K190-G194 PolarHBondContact O-N 3.17Å; K190-I202 HydrophobicContact CG-CG2 4.4Å; K190-T204 HydrophobicContact CB-CG2 4.1Å |
| 191 | R | 79.3 | Confident | 85.1 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -52 | 176.5 | 177.5 | -162.2 | 166.4 | 78.5 | 3.2 | 112 | T3 N6 G188 L189 I193 G194 E195 | T3-R191 PolarHBondContact OG1-NH1 3.05Å; N6-R191 HydrophobicContact CB-CB 4.39Å; N6-R191 WeakPolarHBondContact ND2-CD 3.39Å; G188-R191 PolarHBondContact O-N 3.41Å; L189-R191 PolarHBondContact O-N 3.47Å; R191-I193 PolarHBondContact O-N 3.34Å; R191-G194 PolarHBondContact O-N 2.89Å; R191-E195 IonicContact CZ-OE1 3.15Å; R191-E195 IonicContact NE-OE1 2.79Å; R191-E195 PolarHBondContact NE-OE1 3.41Å; R191-E195 IonicContact NH1-OE1 3.74Å; R191-E195 IonicContact NH2-OE1 2.77Å; R191-E195 PolarHBondContact NH2-OE1 3.07Å; R191-E195 PolarHBondContact O-N 3.38Å |
| 192 | L | 77.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.8 | -40.9 | -174.6 | 177.8 | 65.3 | 0 | 0 | 0 | 111 | G188 L189 V264 Y268 | G188-L192 PolarHBondContact O-N 2.93Å; G188-L192 VanDerWaalsContact O-N 3.07Å; L189-L192 PolarHBondContact O-N 3.29Å; L192-V264 HydrophobicContact CD2-CG1 3.65Å; L192-Y268 HydrophobicContact CD1-CD2 4.41Å; L192-Y268 HydrophobicContact CD1-CE2 4.46Å; L192-Y268 HydrophobicContact CG-CD2 4.12Å |
| 193 | I | 77.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.1 | -41.9 | 179.2 | -57 | 169.9 | 0 | 0 | 0 | 111 | L189 R191 E195 V196 A197 I202 A267 C271 | L189-I193 HydrophobicContact CD1-CD1 3.81Å; L189-I193 HydrophobicContact CD1-CG1 4.3Å; L189-I193 HydrophobicContact CG-CD1 3.99Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.95Å; R191-I193 PolarHBondContact O-N 3.34Å; I193-E195 PolarHBondContact O-N 2.92Å; I193-V196 WeakPolarHBondContact O-CG2 3.13Å; I193-V196 PolarHBondContact O-N 2.7Å; I193-A197 PolarHBondContact O-N 3.46Å; I193-I202 HydrophobicContact CB-CD1 3.95Å; I193-I202 HydrophobicContact CG2-CD1 3.39Å; I193-I202 HydrophobicContact CG2-CG1 3.89Å; I193-A267 HydrophobicContact CD1-CB 3.56Å; I193-A267 HydrophobicContact CG1-CB 4.36Å; I193-C271 HydrophobicContact CG2-CB 3.42Å; I193-C271 VanDerWaalsContact CG2-CB 3.42Å; I193-C271 WeakPolarHBondContact CG2-SG 3.35Å |
| 194 | G | 78.2 | Confident | 84.5 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -22.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K190 R191 | K190-G194 PolarHBondContact O-N 3.17Å; R191-G194 PolarHBondContact O-N 2.89Å |
| 195 | E | 78.2 | Confident | 84.3 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69 | -32.4 | 175.5 | -75.9 | -170.1 | 166.8 | 0 | 0 | 113.4 | R191 I193 | R191-E195 IonicContact CZ-OE1 3.15Å; R191-E195 IonicContact NE-OE1 2.79Å; R191-E195 PolarHBondContact NE-OE1 3.41Å; R191-E195 IonicContact NH1-OE1 3.74Å; R191-E195 IonicContact NH2-OE1 2.77Å; R191-E195 PolarHBondContact NH2-OE1 3.07Å; R191-E195 PolarHBondContact O-N 3.38Å; I193-E195 PolarHBondContact O-N 2.92Å |
| 196 | V | 78.2 | Confident | 84.2 | Confident | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -94.9 | -16.2 | -178.5 | -68.7 | 0 | 0 | 0 | 0 | 113.9 | I193 Y268 A272 | I193-V196 WeakPolarHBondContact O-CG2 3.13Å; I193-V196 PolarHBondContact O-N 2.7Å; V196-Y268 HydrophobicContact CB-CE2 4.14Å; V196-Y268 HydrophobicContact CG1-CD2 4.25Å; V196-Y268 HydrophobicContact CG1-CE2 3.31Å; V196-Y268 VanDerWaalsContact CG1-CZ 3.49Å; V196-Y268 WeakPolarHBondContact CG1-OH 3.41Å; V196-Y268 HydrophobicContact CG2-CD2 3.8Å; V196-Y268 HydrophobicContact CG2-CE2 3.73Å; V196-Y268 HydrophobicContact CG2-CG 4.47Å; V196-A272 HydrophobicContact CB-CB 4.36Å; V196-A272 HydrophobicContact CG2-CB 4.33Å |
| 197 | A | 77.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | trans | -145.7 | 72 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I193 D199 V200 C271 A275 | I193-A197 PolarHBondContact O-N 3.46Å; A197-D199 PolarHBondContact O-N 3.2Å; A197-V200 HydrophobicContact CB-CB 3.86Å; A197-V200 HydrophobicContact CB-CG2 3.74Å; A197-V200 PolarHBondContact O-N 3.18Å; A197-C271 HydrophobicContact CB-CB 3.61Å; A197-C271 WeakPolarHBondContact CB-O 3.46Å; A197-A275 HydrophobicContact CB-CB 3.86Å | ||
| 198 | K | 76.8 | Confident | 84.1 | Confident | 182 Ų | 182 | 53.7 Ų | 53.7 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.7 | -174.5 | -67.7 | -176 | -178.9 | 178.6 | 0 | 114 | ||
| 199 | D | 84.6 | Confident | 83.9 | Confident | 160 Ų | 160 | 58.1 Ų | 58.1 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1 | -175.2 | -57.5 | -44.6 | 0 | 0 | 0 | 112.7 | A197 P201 | A197-D199 PolarHBondContact O-N 3.2Å; D199-P201 WeakPolarHBondContact O-CD 3.5Å |
| 200 | V | 89.1 | Confident | 84.1 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -90.1 | 120.2 | 176.3 | 179 | 0 | 0 | 0 | 0 | 108.9 | A197 I202 L274 A275 | A197-V200 HydrophobicContact CB-CB 3.86Å; A197-V200 HydrophobicContact CB-CG2 3.74Å; A197-V200 PolarHBondContact O-N 3.18Å; V200-I202 WeakPolarHBondContact O-CG1 3.33Å; V200-I202 PolarHBondContact O-N 2.87Å; V200-L274 HydrophobicContact CG1-CD1 4.07Å; V200-L274 HydrophobicContact CG2-CB 3.88Å; V200-A275 HydrophobicContact CG2-CB 4.29Å |
| 201 | P | 91.6 | Very high | 84.2 | Confident | 55 Ų | 55 | 56 Ų | 56 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | trans | -64 | 119.7 | 176.6 | -25.1 | 36.9 | 0 | 0 | 0 | 112.1 | D199 N227 T228 A229 | D199-P201 WeakPolarHBondContact O-CD 3.5Å; P201-N227 VanDerWaalsContact CB-OD1 3.24Å; P201-N227 WeakPolarHBondContact CB-OD1 3.4Å; P201-N227 PolarHBondContact O-ND2 2.83Å; P201-N227 VanDerWaalsContact O-ND2 3.13Å; P201-T228 WeakPolarHBondContact CB-OG1 3.4Å; P201-T228 WeakPolarHBondContact CG-OG1 3.43Å; P201-A229 HydrophobicContact CG-CB 4.41Å | ||
| 202 | I | 90.8 | Very high | 84.4 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | trans | -120.2 | 124.3 | -177.9 | -60.3 | 148.3 | 0 | 0 | 0 | 110 | K190 I193 V200 | K190-I202 HydrophobicContact CG-CG2 4.4Å; I193-I202 HydrophobicContact CB-CD1 3.95Å; I193-I202 HydrophobicContact CG2-CD1 3.39Å; I193-I202 HydrophobicContact CG2-CG1 3.89Å; V200-I202 WeakPolarHBondContact O-CG1 3.33Å; V200-I202 PolarHBondContact O-N 2.87Å | ||
| 203 | T | 92.7 | Very high | 84.7 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -119.6 | 152.6 | 169.1 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | A223 E226 N227 | T203-A223 VanDerWaalsContact CB-O 3.24Å; T203-A223 WeakPolarHBondContact CB-O 3.38Å; T203-A223 WeakPolarHBondContact CG2-O 3.07Å; T203-A223 PolarHBondContact OG1-O 3.2Å; T203-E226 HydrophobicContact CG2-CB 4.46Å; T203-N227 HydrophobicContact CG2-CB 3.73Å; T203-N227 PolarHBondContact OG1-ND2 3.25Å; T203-N227 VanDerWaalsContact OG1-ND2 3.08Å | ||
| 204 | T | 91.8 | Very high | 85.2 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | trans | -135.6 | 143.8 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 108.6 | K190 | K190-T204 HydrophobicContact CB-CG2 4.1Š| ||
| 205 | A | 91.2 | Very high | 85.8 | Confident | 42 Ų | 42 | 50 Ų | 50 | 35% | 0.347 | 27% | 0.271 | S | S | . | . | trans | -129.2 | 127.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | I220 A223 | A205-I220 HydrophobicContact CB-CB 4.41Å; A205-I220 HydrophobicContact CB-CG1 3.8Å; A205-A223 HydrophobicContact CB-CB 3.91Å | ||
| 206 | G | 88.5 | Confident | 86.5 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | trans | -147.1 | 148.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R219 | G206-R219 WeakPolarHBondContact O-CD 3.32Å; G206-R219 PolarHBondContact O-NH1 3.08Å; G206-R219 VanDerWaalsContact O-NH1 3.09Å | ||
| 207 | G | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | 85.1 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E182 G212 G214 S216 R219 | E182-G207 PolarHBondContact OE1-N 3.32Å; G207-G212 CarbonylContact C-O 3.41Å; G207-G212 WeakPolarHBondContact CA-O 3.04Å; G207-G214 VanDerWaalsContact CA-O 3.28Å; G207-G214 WeakPolarHBondContact CA-O 3.4Å; G207-G214 PolarHBondContact N-O 3.12Å; G207-S216 PolarHBondContact O-N 3.08Å; G207-S216 VanDerWaalsContact O-N 3.1Å; G207-R219 WeakPolarHBondContact O-CD 3.04Å |
| 208 | L | 89.3 | Confident | 88 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | trans | -94.8 | 162.8 | 175.7 | -59.3 | 176.9 | 0 | 0 | 0 | 111 | D210 G211 G212 T215 R219 | L208-D210 VanDerWaalsContact CB-OD1 3.3Å; L208-D210 WeakPolarHBondContact CB-OD1 3.43Å; L208-D210 PolarHBondContact O-N 2.98Å; L208-G211 WeakPolarHBondContact O-CA 3.19Å; L208-G211 PolarHBondContact O-N 3.42Å; L208-G212 PolarHBondContact N-O 3.39Å; L208-T215 VanDerWaalsContact CD2-O 3.31Å; L208-T215 WeakPolarHBondContact CD2-O 3.47Å; L208-R219 PolarHBondContact O-NE 2.96Å; L208-R219 PolarHBondContact O-NH2 3.04Å | ||
| 209 | E | 85 | Confident | 88.8 | Confident | 118 Ų | 118 | 42 Ų | 42 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -39.2 | 176.1 | -61 | -166.9 | 127.7 | 0 | 0 | 112.2 | G211 S216 E218 | E209-G211 PolarHBondContact O-N 3.28Å; E209-G211 VanDerWaalsContact O-N 3.13Å; E209-S216 WeakPolarHBondContact CG-OG 3.44Å; E209-E218 HydrophobicContact CG-CB 4.21Å; E209-E218 WeakPolarHBondContact OE1-CB 3.26Å; E209-E218 VanDerWaalsContact OE1-CD 3.23Å; E209-E218 WeakPolarHBondContact OE1-CG 3.42Å |
| 210 | D | 83.3 | Confident | 89.3 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 8.6 | 178.7 | 74.7 | 1.1 | 0 | 0 | 0 | 113.3 | I20 K21 L208 G212 | I20-D210 WeakPolarHBondContact CG2-O 3.16Å; K21-D210 WeakPolarHBondContact CD-O 3.41Å; K21-D210 WeakPolarHBondContact CE-O 3.26Å; K21-D210 VanDerWaalsContact CE-OD1 3.25Å; K21-D210 WeakPolarHBondContact CE-OD1 3.29Å; K21-D210 VanDerWaalsContact CG-O 3.27Å; K21-D210 WeakPolarHBondContact CG-O 3.34Å; K21-D210 PolarHBondContact NZ-O 3.32Å; K21-D210 IonicContact NZ-OD1 3.4Å; K21-D210 PolarHBondContact NZ-OD1 3.4Å; K21-D210 IonicContact NZ-OD2 3.31Å; K21-D210 PolarHBondContact NZ-OD2 2.91Å; L208-D210 VanDerWaalsContact CB-OD1 3.3Å; L208-D210 WeakPolarHBondContact CB-OD1 3.43Å; L208-D210 PolarHBondContact O-N 2.98Å; D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 WeakPolarHBondContact OD1-CA 3.36Å; D210-G212 PolarHBondContact OD1-N 2.98Å |
| 211 | G | 79 | Confident | 89.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 81.1 | 7.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K21 Y179 L208 E209 | K21-G211 WeakPolarHBondContact CG-O 3.48Å; Y179-G211 WeakPolarHBondContact CE1-O 3.28Å; L208-G211 WeakPolarHBondContact O-CA 3.19Å; L208-G211 PolarHBondContact O-N 3.42Å; E209-G211 PolarHBondContact O-N 3.28Å; E209-G211 VanDerWaalsContact O-N 3.13Å |
| 212 | G | 83.4 | Confident | 89.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | trans | -71 | 165.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G207 L208 D210 | G207-G212 CarbonylContact C-O 3.41Å; G207-G212 WeakPolarHBondContact CA-O 3.04Å; L208-G212 PolarHBondContact N-O 3.39Å; D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 WeakPolarHBondContact OD1-CA 3.36Å; D210-G212 PolarHBondContact OD1-N 2.98Å | ||
| 213 | I | 84.5 | Confident | 90 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72.2 | 139.8 | 169.6 | -59.1 | 175.3 | 0 | 0 | 0 | 107.8 | T139 L142 E143 M175 A178 Y179 E182 | T139-I213 HydrophobicContact CG2-CG2 4.1Å; L142-I213 HydrophobicContact CB-CD1 4.35Å; E143-I213 HydrophobicContact CG-CB 4.09Å; E143-I213 HydrophobicContact CG-CG2 3.71Å; M175-I213 HydrophobicContact CE-CD1 3.71Å; M175-I213 HydrophobicContact CE-CG1 3.95Å; A178-I213 HydrophobicContact CB-CD1 3.27Å; Y179-I213 HydrophobicContact CD1-CD1 4.27Å; Y179-I213 HydrophobicContact CD1-CG1 3.7Å; Y179-I213 HydrophobicContact CE1-CD1 4.45Å; Y179-I213 HydrophobicContact CE1-CG1 3.79Å; E182-I213 VanDerWaalsContact OE1-CA 3.31Å; E182-I213 WeakPolarHBondContact OE1-CA 3.09Å |
| 214 | G | 88.3 | Confident | 90.3 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 135.6 | -140.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E182 G207 | E182-G214 PolarHBondContact OE1-N 3.44Å; E182-G214 VanDerWaalsContact OE1-N 3.13Å; G207-G214 VanDerWaalsContact CA-O 3.28Å; G207-G214 WeakPolarHBondContact CA-O 3.4Å; G207-G214 PolarHBondContact N-O 3.12Å |
| 215 | T | 90.5 | Very high | 90.5 | Very high | 21 Ų | 21 | 40 Ų | 40 | 13% | 0.129 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -142.8 | 127.6 | -175.3 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | L208 I220 A241 N244 | L208-T215 VanDerWaalsContact CD2-O 3.31Å; L208-T215 WeakPolarHBondContact CD2-O 3.47Å; T215-I220 HydrophobicContact CG2-CD1 3.41Å; T215-I220 VanDerWaalsContact CG2-CD1 3.41Å; T215-I220 HydrophobicContact CG2-CG1 4.19Å; T215-A241 HydrophobicContact CG2-CB 4.15Å; T215-N244 HydrophobicContact CG2-CB 4.09Å; T215-N244 PolarHBondContact O-ND2 3.2Å |
| 216 | S | 92.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -111.6 | 137.7 | 175.6 | 147.2 | 0 | 0 | 0 | 0 | 110.5 | G207 E209 E218 R219 I220 | G207-S216 PolarHBondContact O-N 3.08Å; G207-S216 VanDerWaalsContact O-N 3.1Å; E209-S216 WeakPolarHBondContact CG-OG 3.44Å; S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 PolarHBondContact OG-N 2.89Å; S216-E218 PolarHBondContact OG-OE2 2.86Å; S216-R219 PolarHBondContact OG-N 2.7Å; S216-R219 VanDerWaalsContact OG-N 3.13Å; S216-I220 VanDerWaalsContact O-CG1 3.29Å; S216-I220 WeakPolarHBondContact O-CG1 3.42Å; S216-I220 PolarHBondContact O-N 2.87Å; S216-I220 VanDerWaalsContact O-N 3.1Å | ||
| 217 | M | 94.5 | Very high | 91 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.8 | -178.6 | -79.6 | -74.9 | 0 | 0 | 111.3 | I220 S221 N244 M247 A248 M251 | M217-I220 PolarHBondContact O-N 2.98Å; M217-S221 WeakPolarHBondContact O-CB 3.3Å; M217-S221 PolarHBondContact O-N 2.9Å; M217-S221 PolarHBondContact O-OG 2.93Å; M217-S221 PolarHBondContact SD-OG 3.48Å; M217-N244 HydrophobicContact CB-CB 4.29Å; M217-M247 HydrophobicContact CB-CE 4.31Å; M217-M247 HydrophobicContact CG-CB 3.81Å; M217-M247 HydrophobicContact CG-CE 4.42Å; M217-A248 HydrophobicContact CG-CB 4.08Å; M217-A248 HydrophobicContact SD-CB 4.41Å; M217-M251 HydrophobicContact CE-CE 4.47Å; M217-M251 HydrophobicContact CE-SD 3.67Å; M217-M251 HydrophobicContact SD-SD 3.76Å |
| 218 | E | 93.8 | Very high | 91.4 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | -179.4 | -62 | 81.7 | -170.1 | 0 | 0 | 111.8 | E209 S216 I220 S221 Q222 | E209-E218 HydrophobicContact CG-CB 4.21Å; E209-E218 WeakPolarHBondContact OE1-CB 3.26Å; E209-E218 VanDerWaalsContact OE1-CD 3.23Å; E209-E218 WeakPolarHBondContact OE1-CG 3.42Å; S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 PolarHBondContact OG-N 2.89Å; S216-E218 PolarHBondContact OG-OE2 2.86Å; E218-I220 VanDerWaalsContact C-N 3.32Å; E218-I220 PolarHBondContact O-N 3.45Å; E218-S221 PolarHBondContact O-N 3.34Å; E218-Q222 WeakPolarHBondContact O-CB 3.31Å; E218-Q222 PolarHBondContact O-N 3.42Å |
| 219 | R | 93.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 47.9 Ų | 47.9 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 172.7 | -73.5 | -171.7 | 175.2 | -124 | -10.4 | 112.1 | G206 G207 L208 S216 A223 | G206-R219 WeakPolarHBondContact O-CD 3.32Å; G206-R219 PolarHBondContact O-NH1 3.08Å; G206-R219 VanDerWaalsContact O-NH1 3.09Å; G207-R219 WeakPolarHBondContact O-CD 3.04Å; L208-R219 PolarHBondContact O-NE 2.96Å; L208-R219 PolarHBondContact O-NH2 3.04Å; S216-R219 PolarHBondContact OG-N 2.7Å; S216-R219 VanDerWaalsContact OG-N 3.13Å; R219-A223 WeakPolarHBondContact O-CB 3.47Å; R219-A223 PolarHBondContact O-N 3.34Å |
| 220 | I | 95.6 | Very high | 92 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 173.6 | -69.5 | 164.9 | 0 | 0 | 0 | 110.1 | A205 T215 S216 M217 E218 Q222 A223 I224 N244 L245 A248 | A205-I220 HydrophobicContact CB-CB 4.41Å; A205-I220 HydrophobicContact CB-CG1 3.8Å; T215-I220 HydrophobicContact CG2-CD1 3.41Å; T215-I220 VanDerWaalsContact CG2-CD1 3.41Å; T215-I220 HydrophobicContact CG2-CG1 4.19Å; S216-I220 VanDerWaalsContact O-CG1 3.29Å; S216-I220 WeakPolarHBondContact O-CG1 3.42Å; S216-I220 PolarHBondContact O-N 2.87Å; S216-I220 VanDerWaalsContact O-N 3.1Å; M217-I220 PolarHBondContact O-N 2.98Å; E218-I220 VanDerWaalsContact C-N 3.32Å; E218-I220 PolarHBondContact O-N 3.45Å; I220-Q222 VanDerWaalsContact C-N 3.33Å; I220-Q222 PolarHBondContact O-N 3.08Å; I220-A223 CarbonylContact O-C 3.58Å; I220-A223 PolarHBondContact O-N 3.07Å; I220-A223 VanDerWaalsContact O-N 3.12Å; I220-I224 HydrophobicContact CG2-CD1 3.85Å; I220-I224 HydrophobicContact CG2-CG1 4.36Å; I220-I224 WeakPolarHBondContact O-CG1 3.47Å; I220-I224 PolarHBondContact O-N 3.35Å; I220-N244 HydrophobicContact CD1-CB 3.8Å; I220-L245 HydrophobicContact CD1-CB 4.17Å; I220-L245 HydrophobicContact CG2-CD1 3.53Å; I220-A248 HydrophobicContact CB-CB 4.05Å; I220-A248 HydrophobicContact CG2-CB 3.5Å |
| 221 | S | 96.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | M217 E218 I224 E225 A248 | M217-S221 WeakPolarHBondContact O-CB 3.3Å; M217-S221 PolarHBondContact O-N 2.9Å; M217-S221 PolarHBondContact O-OG 2.93Å; M217-S221 PolarHBondContact SD-OG 3.48Å; E218-S221 PolarHBondContact O-N 3.34Å; S221-I224 WeakPolarHBondContact O-CB 3.45Å; S221-I224 PolarHBondContact O-N 3.33Å; S221-E225 PolarHBondContact O-N 3.45Å; S221-A248 WeakPolarHBondContact OG-CB 3.16Å |
| 222 | Q | 94.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 51 Ų | 51 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 172.8 | -176.1 | -179.5 | -2 | 0 | 0 | 111.6 | E218 I220 I224 E225 E226 | E218-Q222 WeakPolarHBondContact O-CB 3.31Å; E218-Q222 PolarHBondContact O-N 3.42Å; I220-Q222 VanDerWaalsContact C-N 3.33Å; I220-Q222 PolarHBondContact O-N 3.08Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 2.91Å; Q222-E225 PolarHBondContact O-N 3.03Å; Q222-E226 HydrophobicContact CG-CG 4.26Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.42Å; Q222-E226 PolarHBondContact NE2-OE1 3.31Å; Q222-E226 WeakPolarHBondContact O-CB 3.46Å; Q222-E226 WeakPolarHBondContact O-CG 3.47Å; Q222-E226 PolarHBondContact O-N 3.16Å |
| 223 | A | 95 | Very high | 94 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | T203 A205 R219 I220 N227 | T203-A223 VanDerWaalsContact CB-O 3.24Å; T203-A223 WeakPolarHBondContact CB-O 3.38Å; T203-A223 WeakPolarHBondContact CG2-O 3.07Å; T203-A223 PolarHBondContact OG1-O 3.2Å; A205-A223 HydrophobicContact CB-CB 3.91Å; R219-A223 WeakPolarHBondContact O-CB 3.47Å; R219-A223 PolarHBondContact O-N 3.34Å; I220-A223 CarbonylContact O-C 3.58Å; I220-A223 PolarHBondContact O-N 3.07Å; I220-A223 VanDerWaalsContact O-N 3.12Å; A223-N227 PolarHBondContact O-N 2.9Å |
| 224 | I | 97.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 171.7 | -72.3 | 169 | 0 | 0 | 0 | 109.8 | I220 S221 Q222 N227 L232 A248 T252 K254 | I220-I224 HydrophobicContact CG2-CD1 3.85Å; I220-I224 HydrophobicContact CG2-CG1 4.36Å; I220-I224 WeakPolarHBondContact O-CG1 3.47Å; I220-I224 PolarHBondContact O-N 3.35Å; S221-I224 WeakPolarHBondContact O-CB 3.45Å; S221-I224 PolarHBondContact O-N 3.33Å; Q222-I224 VanDerWaalsContact C-N 3.29Å; Q222-I224 PolarHBondContact O-N 2.91Å; I224-N227 PolarHBondContact O-N 3.39Å; I224-L232 HydrophobicContact CB-CD1 4.3Å; I224-L232 HydrophobicContact CG1-CD1 4.24Å; I224-L232 HydrophobicContact CG2-CD1 3.9Å; I224-A248 HydrophobicContact CD1-CB 4.09Å; I224-T252 HydrophobicContact CG2-CG2 4.02Å; I224-T252 WeakPolarHBondContact CG2-OG1 3.43Å; I224-K254 HydrophobicContact CG2-CB 4.45Å; I224-K254 HydrophobicContact CG2-CD 4.09Å; I224-K254 PolarHBondContact O-NZ 3.37Å |
| 225 | E | 96.1 | Very high | 94.9 | Very high | 154 Ų | 154 | 54.6 Ų | 54.6 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -46.9 | -178.8 | -171.5 | 175.1 | -173.9 | 0 | 0 | 112.1 | S221 Q222 N227 K254 | S221-E225 PolarHBondContact O-N 3.45Å; Q222-E225 PolarHBondContact O-N 3.03Å; E225-N227 PolarHBondContact O-N 3.27Å; E225-K254 PolarHBondContact O-NZ 3.44Å |
| 226 | E | 95.7 | Very high | 94.9 | Very high | 123 Ų | 123 | 54.9 Ų | 54.9 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.3 | -22.2 | -179.9 | -73.6 | 178.3 | -179.8 | 0 | 0 | 113.9 | T203 Q222 T228 | T203-E226 HydrophobicContact CG2-CB 4.46Å; Q222-E226 HydrophobicContact CG-CG 4.26Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.42Å; Q222-E226 PolarHBondContact NE2-OE1 3.31Å; Q222-E226 WeakPolarHBondContact O-CB 3.46Å; Q222-E226 WeakPolarHBondContact O-CG 3.47Å; Q222-E226 PolarHBondContact O-N 3.16Å; E226-T228 PolarHBondContact O-N 3.03Å |
| 227 | N | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -68.3 | 131.8 | 178.7 | -162.6 | -56.6 | 0 | 0 | 0 | 110.4 | P201 T203 A223 I224 E225 A229 L232 K254 | P201-N227 VanDerWaalsContact CB-OD1 3.24Å; P201-N227 WeakPolarHBondContact CB-OD1 3.4Å; P201-N227 PolarHBondContact O-ND2 2.83Å; P201-N227 VanDerWaalsContact O-ND2 3.13Å; T203-N227 HydrophobicContact CG2-CB 3.73Å; T203-N227 PolarHBondContact OG1-ND2 3.25Å; T203-N227 VanDerWaalsContact OG1-ND2 3.08Å; A223-N227 PolarHBondContact O-N 2.9Å; I224-N227 PolarHBondContact O-N 3.39Å; E225-N227 PolarHBondContact O-N 3.27Å; N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 3.29Å; N227-A229 PolarHBondContact OD1-N 2.74Å; N227-L232 HydrophobicContact CB-CD1 4.43Å; N227-L232 HydrophobicContact CB-CD2 4.01Å; N227-K254 PolarHBondContact O-NZ 2.84Å |
| 228 | T | 95.1 | Very high | 94 | Very high | 119 Ų | 119 | 60.3 Ų | 60.3 | 73% | 0.73 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -77.5 | -9.3 | -175.9 | 57 | 0 | 0 | 0 | 0 | 114.2 | P201 E226 | P201-T228 WeakPolarHBondContact CB-OG1 3.4Å; P201-T228 WeakPolarHBondContact CG-OG1 3.43Å; E226-T228 PolarHBondContact O-N 3.03Å |
| 229 | A | 94.3 | Very high | 93.4 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | trans | -85.1 | 149.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P201 N227 L232 K254 | P201-A229 HydrophobicContact CG-CB 4.41Å; N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 3.29Å; N227-A229 PolarHBondContact OD1-N 2.74Å; A229-L232 HydrophobicContact CB-CD2 3.9Å; A229-K254 WeakPolarHBondContact O-CD 3.32Å | ||
| 230 | D | 93.9 | Very high | 93.1 | Very high | 128 Ų | 128 | 60.3 Ų | 60.3 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -87.9 | -24.6 | 175.7 | -64.5 | -43.7 | 0 | 0 | 0 | 112.8 | K255 | D230-K255 PolarHBondContact O-N 3.22Š|
| 231 | E | 95.5 | Very high | 92.9 | Very high | 119 Ų | 119 | 59.9 Ų | 59.9 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.6 | 176.1 | -54.1 | -164.1 | -165.7 | 0 | 0 | 109.9 | K255 | E231-K255 CarbonylContact C-O 3.46Å; E231-K255 WeakPolarHBondContact CA-O 3.36Å; E231-K255 HydrophobicContact CG-CB 4.15Å; E231-K255 HydrophobicContact CG-CD 4.04Å; E231-K255 WeakPolarHBondContact OE2-CD 3.4Å; E231-K255 IonicContact OE2-NZ 2.7Å; E231-K255 PolarHBondContact OE2-NZ 3.33Å |
| 232 | L | 96.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.2 | -173 | -56.2 | 179.2 | 0 | 0 | 0 | 111.1 | I224 N227 A229 K254 K255 V256 T257 | I224-L232 HydrophobicContact CB-CD1 4.3Å; I224-L232 HydrophobicContact CG1-CD1 4.24Å; I224-L232 HydrophobicContact CG2-CD1 3.9Å; N227-L232 HydrophobicContact CB-CD1 4.43Å; N227-L232 HydrophobicContact CB-CD2 4.01Å; A229-L232 HydrophobicContact CB-CD2 3.9Å; L232-K254 HydrophobicContact CD1-CD 4.2Å; L232-K255 PolarHBondContact N-O 3.31Å; L232-V256 HydrophobicContact CB-CG1 4.25Å; L232-V256 HydrophobicContact CB-CG2 4.22Å; L232-V256 HydrophobicContact CD1-CG2 4.16Å; L232-V256 CarbonylContact O-C 3.6Å; L232-V256 WeakPolarHBondContact O-CA 3.5Å; L232-T257 PolarHBondContact O-N 2.97Å |
| 233 | L | 95.8 | Very high | 92.7 | Very high | 44 Ų | 44 | 62 Ų | 62 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.9 | 165.5 | -50.6 | 178.7 | 0 | 0 | 0 | 107.6 | F235 F259 A270 L274 I283 | L233-F235 HydrophobicContact CB-CE2 3.89Å; L233-F235 HydrophobicContact CB-CZ 3.9Å; L233-F259 HydrophobicContact CB-CD2 4.32Å; L233-F259 HydrophobicContact CB-CE2 3.92Å; L233-F259 HydrophobicContact CD2-CE2 3.62Å; L233-F259 HydrophobicContact CD2-CZ 4.07Å; L233-F259 HydrophobicContact CG-CE2 4.23Å; L233-A270 HydrophobicContact CD1-CB 3.92Å; L233-L274 HydrophobicContact CD1-CD1 4.06Å; L233-I283 HydrophobicContact CD1-CG2 4Å |
| 234 | A | 95.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L245 V256 T257 F259 | A234-L245 HydrophobicContact CB-CD1 4.1Å; A234-L245 HydrophobicContact CB-CD2 3.87Å; A234-L245 HydrophobicContact CB-CG 4.4Å; A234-V256 HydrophobicContact CB-CG1 3.56Å; A234-T257 PolarHBondContact N-O 2.77Å; A234-F259 PolarHBondContact O-N 2.96Å |
| 235 | F | 94.2 | Very high | 92.6 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.2 | 179.5 | -51.4 | -79.9 | 0 | 0 | 0 | 108.8 | L233 F259 M263 S266 A267 A270 L287 | L233-F235 HydrophobicContact CB-CE2 3.89Å; L233-F235 HydrophobicContact CB-CZ 3.9Å; F235-F259 HydrophobicContact CD1-CB 3.79Å; F235-F259 HydrophobicContact CD1-CD2 4.5Å; F235-F259 HydrophobicContact CD1-CG 4.42Å; F235-F259 HydrophobicContact CE1-CB 3.67Å; F235-F259 AromaticContact CE1-CD2 3.83Å; F235-F259 HydrophobicContact CE1-CD2 3.83Å; F235-F259 AromaticContact CE1-CG 3.83Å; F235-F259 HydrophobicContact CE1-CG 3.83Å; F235-F259 HydrophobicContact CZ-CD2 4.15Å; F235-M263 HydrophobicContact CB-CG 3.98Å; F235-S266 VanDerWaalsContact CD1-CB 3.47Å; F235-S266 VanDerWaalsContact CE1-CB 3.43Å; F235-A267 HydrophobicContact CD2-CB 3.65Å; F235-A267 HydrophobicContact CE2-CB 4.09Å; F235-A267 HydrophobicContact CG-CB 4.12Å; F235-A270 HydrophobicContact CE2-CB 4.02Å; F235-A270 HydrophobicContact CZ-CB 3.59Å; F235-L287 HydrophobicContact CE1-CD1 3.98Å; F235-L287 HydrophobicContact CZ-CD1 3.97Å |
| 236 | Y | 92.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | trans | -140.6 | 152.3 | -175.5 | 64.2 | -78 | 0 | 0 | 0 | 111 | A241 K242 L245 L258 F259 D260 M263 | Y236-A241 HydrophobicContact CD2-CB 4.43Å; Y236-K242 HydrophobicContact CD2-CB 3.65Å; Y236-K242 HydrophobicContact CD2-CG 4.29Å; Y236-K242 HydrophobicContact CE1-CG 4.31Å; Y236-K242 HydrophobicContact CE2-CB 3.44Å; Y236-K242 VanDerWaalsContact CE2-CB 3.44Å; Y236-K242 HydrophobicContact CE2-CD 4.06Å; Y236-K242 HydrophobicContact CE2-CG 3.8Å; Y236-K242 HydrophobicContact CG-CB 4.45Å; Y236-K242 WeakPolarHBondContact OH-CD 3.13Å; Y236-K242 PolarHBondContact OH-NZ 3.46Å; Y236-L245 HydrophobicContact CD1-CD2 4.37Å; Y236-L245 HydrophobicContact CG-CD2 4.5Å; Y236-L258 HydrophobicContact CD1-CD1 3.53Å; Y236-L258 HydrophobicContact CD1-CG 4.47Å; Y236-L258 HydrophobicContact CE1-CD1 3.76Å; Y236-L258 HydrophobicContact CE1-CG 4.22Å; Y236-F259 VanDerWaalsContact CE1-O 3.25Å; Y236-F259 WeakPolarHBondContact CE1-O 3.37Å; Y236-D260 HydrophobicContact CE1-CB 4.38Å; Y236-D260 WeakPolarHBondContact OH-CB 3.48Å; Y236-D260 PolarHBondContact OH-OD1 3.26Å; Y236-M263 WeakPolarHBondContact O-CB 3.47Å | ||
| 237 | D | 84.9 | Confident | 92.6 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | trans | -78.9 | -172.9 | 170 | -170.3 | 18.3 | 0 | 0 | 0 | 110.3 | N138 M263 | N138-D237 WeakPolarHBondContact CB-OD2 3.48Å; D237-M263 HydrophobicContact CB-CE 4.11Å; D237-M263 HydrophobicContact CB-SD 3.98Å; D237-M263 PolarHBondContact N-SD 3.26Å; D237-M263 VanDerWaalsContact N-SD 3.41Å | ||
| 238 | L | 82.1 | Confident | 92.7 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.3 | 167.9 | 179.1 | -61.2 | 168.7 | 0 | 0 | 0 | 112.8 | ||
| 239 | G | 81 | Confident | 92.8 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -138.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A241 | G239-A241 PolarHBondContact O-N 2.94Š|
| 240 | S | 87 | Confident | 92.9 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 44% | 0.441 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.5 | -174 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | K242 M243 N244 | S240-K242 VanDerWaalsContact C-N 3.28Å; S240-K242 PolarHBondContact O-N 3.28Å; S240-M243 PolarHBondContact O-N 2.95Å; S240-N244 PolarHBondContact O-N 3.22Å; S240-N244 PolarHBondContact O-ND2 3.33Å |
| 241 | A | 91.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -40.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T215 Y236 G239 N244 L245 | T215-A241 HydrophobicContact CG2-CB 4.15Å; Y236-A241 HydrophobicContact CD2-CB 4.43Å; G239-A241 PolarHBondContact O-N 2.94Å; A241-N244 PolarHBondContact O-N 3.34Å; A241-L245 VanDerWaalsContact O-CB 3.23Å; A241-L245 WeakPolarHBondContact O-CB 3.32Å; A241-L245 PolarHBondContact O-N 2.98Å |
| 242 | K | 93.5 | Very high | 92.9 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -54.2 | 176 | -169.1 | 179.6 | -176.3 | 151.6 | 0 | 112.2 | Y236 S240 N244 L245 E246 L258 D260 | Y236-K242 HydrophobicContact CD2-CB 3.65Å; Y236-K242 HydrophobicContact CD2-CG 4.29Å; Y236-K242 HydrophobicContact CE1-CG 4.31Å; Y236-K242 HydrophobicContact CE2-CB 3.44Å; Y236-K242 VanDerWaalsContact CE2-CB 3.44Å; Y236-K242 HydrophobicContact CE2-CD 4.06Å; Y236-K242 HydrophobicContact CE2-CG 3.8Å; Y236-K242 HydrophobicContact CG-CB 4.45Å; Y236-K242 WeakPolarHBondContact OH-CD 3.13Å; Y236-K242 PolarHBondContact OH-NZ 3.46Å; S240-K242 VanDerWaalsContact C-N 3.28Å; S240-K242 PolarHBondContact O-N 3.28Å; K242-N244 VanDerWaalsContact C-N 3.35Å; K242-N244 PolarHBondContact O-N 3.35Å; K242-L245 PolarHBondContact O-N 2.93Å; K242-E246 WeakPolarHBondContact CE-OE1 3.29Å; K242-E246 HydrophobicContact CG-CG 4.38Å; K242-E246 WeakPolarHBondContact O-CG 3.35Å; K242-E246 PolarHBondContact O-N 3.37Å; K242-L258 HydrophobicContact CG-CD2 4.44Å; K242-D260 IonicContact NZ-OD2 2.59Å |
| 243 | M | 93.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | -175.4 | -175.8 | -173.6 | 76.5 | 0 | 0 | 111 | S240 L245 E246 M247 | S240-M243 PolarHBondContact O-N 2.95Å; M243-L245 VanDerWaalsContact C-N 3.31Å; M243-L245 PolarHBondContact O-N 3.41Å; M243-E246 PolarHBondContact O-N 3.1Å; M243-M247 HydrophobicContact CE-CE 4.17Å; M243-M247 HydrophobicContact CG-CE 4.29Å; M243-M247 WeakPolarHBondContact O-CG 3.26Å; M243-M247 PolarHBondContact O-N 3.39Å |
| 244 | N | 95.2 | Very high | 93 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 177 | -73.3 | -57.3 | 0 | 0 | 0 | 112.3 | T215 M217 I220 S240 A241 K242 M247 A248 | T215-N244 HydrophobicContact CG2-CB 4.09Å; T215-N244 PolarHBondContact O-ND2 3.2Å; M217-N244 HydrophobicContact CB-CB 4.29Å; I220-N244 HydrophobicContact CD1-CB 3.8Å; S240-N244 PolarHBondContact O-N 3.22Å; S240-N244 PolarHBondContact O-ND2 3.33Å; A241-N244 PolarHBondContact O-N 3.34Å; K242-N244 VanDerWaalsContact C-N 3.35Å; K242-N244 PolarHBondContact O-N 3.35Å; N244-M247 WeakPolarHBondContact OD1-CE 3.47Å; N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.04Å |
| 245 | L | 95.8 | Very high | 93 | Very high | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.2 | -44.1 | 176.7 | -179.3 | 55.5 | 0 | 0 | 0 | 111.8 | I220 A234 Y236 A241 K242 M243 M247 A248 I249 L258 | I220-L245 HydrophobicContact CD1-CB 4.17Å; I220-L245 HydrophobicContact CG2-CD1 3.53Å; A234-L245 HydrophobicContact CB-CD1 4.1Å; A234-L245 HydrophobicContact CB-CD2 3.87Å; A234-L245 HydrophobicContact CB-CG 4.4Å; Y236-L245 HydrophobicContact CD1-CD2 4.37Å; Y236-L245 HydrophobicContact CG-CD2 4.5Å; A241-L245 VanDerWaalsContact O-CB 3.23Å; A241-L245 WeakPolarHBondContact O-CB 3.32Å; A241-L245 PolarHBondContact O-N 2.98Å; K242-L245 PolarHBondContact O-N 2.93Å; M243-L245 VanDerWaalsContact C-N 3.31Å; M243-L245 PolarHBondContact O-N 3.41Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 3.47Å; L245-A248 PolarHBondContact O-N 2.84Å; L245-I249 HydrophobicContact CD1-CD1 4.12Å; L245-I249 HydrophobicContact CD1-CG1 4.19Å; L245-I249 HydrophobicContact CG-CD1 3.97Å; L245-I249 HydrophobicContact CG-CG1 4.49Å; L245-I249 WeakPolarHBondContact O-CB 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.2Å; L245-L258 HydrophobicContact CD2-CD1 3.32Å; L245-L258 HydrophobicContact CG-CD1 3.95Å |
| 246 | E | 95.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 173.9 | -74 | 172.6 | 162.2 | 0 | 0 | 111.3 | K242 M243 I249 E250 L258 | K242-E246 WeakPolarHBondContact CE-OE1 3.29Å; K242-E246 HydrophobicContact CG-CG 4.38Å; K242-E246 WeakPolarHBondContact O-CG 3.35Å; K242-E246 PolarHBondContact O-N 3.37Å; M243-E246 PolarHBondContact O-N 3.1Å; E246-I249 PolarHBondContact O-N 3.38Å; E246-E250 PolarHBondContact O-N 3.14Å; E246-E250 VanDerWaalsContact O-N 3.16Å; E246-L258 HydrophobicContact CG-CD2 3.64Å |
| 247 | M | 96 | Very high | 93.3 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 37% | 0.365 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.7 | -70.1 | -174.7 | -60.1 | 0 | 0 | 112.6 | M217 M243 N244 L245 I249 E250 M251 | M217-M247 HydrophobicContact CB-CE 4.31Å; M217-M247 HydrophobicContact CG-CB 3.81Å; M217-M247 HydrophobicContact CG-CE 4.42Å; M243-M247 HydrophobicContact CE-CE 4.17Å; M243-M247 HydrophobicContact CG-CE 4.29Å; M243-M247 WeakPolarHBondContact O-CG 3.26Å; M243-M247 PolarHBondContact O-N 3.39Å; N244-M247 WeakPolarHBondContact OD1-CE 3.47Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 3.47Å; M247-I249 VanDerWaalsContact C-N 3.31Å; M247-I249 PolarHBondContact O-N 3.03Å; M247-E250 PolarHBondContact O-N 3.42Å; M247-M251 WeakPolarHBondContact O-CG 3.13Å; M247-M251 PolarHBondContact O-N 3.23Å |
| 248 | A | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M217 I220 S221 I224 N244 L245 E250 M251 T252 | M217-A248 HydrophobicContact CG-CB 4.08Å; M217-A248 HydrophobicContact SD-CB 4.41Å; I220-A248 HydrophobicContact CB-CB 4.05Å; I220-A248 HydrophobicContact CG2-CB 3.5Å; S221-A248 WeakPolarHBondContact OG-CB 3.16Å; I224-A248 HydrophobicContact CD1-CB 4.09Å; N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.04Å; L245-A248 PolarHBondContact O-N 2.84Å; A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 2.83Å; A248-M251 PolarHBondContact O-N 2.87Å; A248-T252 PolarHBondContact O-N 2.81Å |
| 249 | I | 97 | Very high | 94.3 | Very high | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.1 | -69.7 | 169.2 | 0 | 0 | 0 | 111.1 | L245 E246 M247 M251 T252 V256 L258 | L245-I249 HydrophobicContact CD1-CD1 4.12Å; L245-I249 HydrophobicContact CD1-CG1 4.19Å; L245-I249 HydrophobicContact CG-CD1 3.97Å; L245-I249 HydrophobicContact CG-CG1 4.49Å; L245-I249 WeakPolarHBondContact O-CB 3.27Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.2Å; E246-I249 PolarHBondContact O-N 3.38Å; M247-I249 VanDerWaalsContact C-N 3.31Å; M247-I249 PolarHBondContact O-N 3.03Å; I249-M251 PolarHBondContact O-N 2.85Å; I249-T252 WeakPolarHBondContact O-CG2 3.46Å; I249-V256 HydrophobicContact CD1-CB 4.21Å; I249-V256 HydrophobicContact CD1-CG1 3.74Å; I249-V256 HydrophobicContact CG1-CB 3.82Å; I249-V256 HydrophobicContact CG1-CG1 3.67Å; I249-V256 HydrophobicContact CG1-CG2 4.42Å; I249-V256 HydrophobicContact CG2-CB 4.2Å; I249-L258 HydrophobicContact CD1-CB 4.08Å |
| 250 | E | 96 | Very high | 94.8 | Very high | 170 Ų | 170 | 63 Ų | 63 | 79% | 0.794 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.2 | -19.4 | 176.6 | -69.7 | 179.7 | 179 | 0 | 0 | 113.6 | E246 M247 A248 | E246-E250 PolarHBondContact O-N 3.14Å; E246-E250 VanDerWaalsContact O-N 3.16Å; M247-E250 PolarHBondContact O-N 3.42Å; A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 2.83Å |
| 251 | M | 94.7 | Very high | 95 | Very high | 134 Ų | 134 | 60.6 Ų | 60.6 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -100.3 | -7 | -174.2 | -66.9 | -175.1 | 64.8 | 0 | 0 | 114.4 | M217 M247 A248 I249 | M217-M251 HydrophobicContact CE-CE 4.47Å; M217-M251 HydrophobicContact CE-SD 3.67Å; M217-M251 HydrophobicContact SD-SD 3.76Å; M247-M251 WeakPolarHBondContact O-CG 3.13Å; M247-M251 PolarHBondContact O-N 3.23Å; A248-M251 PolarHBondContact O-N 2.87Å; I249-M251 PolarHBondContact O-N 2.85Å |
| 252 | T | 96.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.233 | 31% | 0.31 | C | S | . | . | trans | -103.9 | 150.1 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | I224 A248 I249 K254 V256 | I224-T252 HydrophobicContact CG2-CG2 4.02Å; I224-T252 WeakPolarHBondContact CG2-OG1 3.43Å; A248-T252 PolarHBondContact O-N 2.81Å; I249-T252 WeakPolarHBondContact O-CG2 3.46Å; T252-K254 VanDerWaalsContact C-N 3.32Å; T252-K254 HydrophobicContact CG2-CB 4.48Å; T252-K254 PolarHBondContact OG1-N 3.02Å; T252-V256 HydrophobicContact CG2-CG2 3.92Å | ||
| 253 | D | 95.4 | Very high | 94.7 | Very high | 178 Ų | 178 | 60.3 Ų | 60.3 | 95% | 0.952 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -83.9 | -9.7 | 170.9 | -67.2 | -43 | 0 | 0 | 0 | 112.6 | ||
| 254 | K | 97.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 19% | 0.191 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -74.8 | 147.3 | 178.1 | -67.7 | -174.9 | -179.8 | 174.6 | 0 | 111.1 | I224 E225 N227 A229 L232 T252 V256 | I224-K254 HydrophobicContact CG2-CB 4.45Å; I224-K254 HydrophobicContact CG2-CD 4.09Å; I224-K254 PolarHBondContact O-NZ 3.37Å; E225-K254 PolarHBondContact O-NZ 3.44Å; N227-K254 PolarHBondContact O-NZ 2.84Å; A229-K254 WeakPolarHBondContact O-CD 3.32Å; L232-K254 HydrophobicContact CD1-CD 4.2Å; T252-K254 VanDerWaalsContact C-N 3.32Å; T252-K254 HydrophobicContact CG2-CB 4.48Å; T252-K254 PolarHBondContact OG1-N 3.02Å; K254-V256 HydrophobicContact CB-CG2 4.37Å; K254-V256 PolarHBondContact O-N 3.4Å |
| 255 | K | 97 | Very high | 94.1 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.9 | 171.7 | 179.7 | -174.9 | 163.3 | -152.7 | 0 | 108 | D230 E231 L232 E280 | D230-K255 PolarHBondContact O-N 3.22Å; E231-K255 CarbonylContact C-O 3.46Å; E231-K255 WeakPolarHBondContact CA-O 3.36Å; E231-K255 HydrophobicContact CG-CB 4.15Å; E231-K255 HydrophobicContact CG-CD 4.04Å; E231-K255 WeakPolarHBondContact OE2-CD 3.4Å; E231-K255 IonicContact OE2-NZ 2.7Å; E231-K255 PolarHBondContact OE2-NZ 3.33Å; L232-K255 PolarHBondContact N-O 3.31Å; K255-E280 IonicContact NZ-OE1 3.08Å; K255-E280 PolarHBondContact NZ-OE1 2.66Å; K255-E280 IonicContact NZ-OE2 3.69Å; K255-E280 PolarHBondContact NZ-OE2 2.76Å; K255-E280 VanDerWaalsContact NZ-OE2 3.15Å |
| 256 | V | 97.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.4 | 178.6 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | L232 A234 I249 T252 K254 | L232-V256 HydrophobicContact CB-CG1 4.25Å; L232-V256 HydrophobicContact CB-CG2 4.22Å; L232-V256 HydrophobicContact CD1-CG2 4.16Å; L232-V256 CarbonylContact O-C 3.6Å; L232-V256 WeakPolarHBondContact O-CA 3.5Å; A234-V256 HydrophobicContact CB-CG1 3.56Å; I249-V256 HydrophobicContact CD1-CB 4.21Å; I249-V256 HydrophobicContact CD1-CG1 3.74Å; I249-V256 HydrophobicContact CG1-CB 3.82Å; I249-V256 HydrophobicContact CG1-CG1 3.67Å; I249-V256 HydrophobicContact CG1-CG2 4.42Å; I249-V256 HydrophobicContact CG2-CB 4.2Å; T252-V256 HydrophobicContact CG2-CG2 3.92Å; K254-V256 HydrophobicContact CB-CG2 4.37Å; K254-V256 PolarHBondContact O-N 3.4Å |
| 257 | T | 95.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.9 | 176 | -55.7 | 0 | 0 | 0 | 0 | 109.4 | L232 A234 F259 | L232-T257 PolarHBondContact O-N 2.97Å; A234-T257 PolarHBondContact N-O 2.77Å; T257-F259 HydrophobicContact CG2-CD2 4.36Å; T257-F259 HydrophobicContact CG2-CE2 3.56Å; T257-F259 HydrophobicContact CG2-CZ 3.67Å; T257-F259 WeakPolarHBondContact O-CD2 3.34Å |
| 258 | L | 94.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.4 | -179.7 | 179.2 | 63.3 | 0 | 0 | 0 | 111.7 | Y236 K242 L245 E246 I249 | Y236-L258 HydrophobicContact CD1-CD1 3.53Å; Y236-L258 HydrophobicContact CD1-CG 4.47Å; Y236-L258 HydrophobicContact CE1-CD1 3.76Å; Y236-L258 HydrophobicContact CE1-CG 4.22Å; K242-L258 HydrophobicContact CG-CD2 4.44Å; L245-L258 HydrophobicContact CD2-CD1 3.32Å; L245-L258 HydrophobicContact CG-CD1 3.95Å; E246-L258 HydrophobicContact CG-CD2 3.64Å; I249-L258 HydrophobicContact CD1-CB 4.08Å |
| 259 | F | 93.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.5 | 175.7 | -67.4 | -91.5 | 0 | 0 | 0 | 112.1 | L233 A234 F235 Y236 T257 T261 E284 L287 | L233-F259 HydrophobicContact CB-CD2 4.32Å; L233-F259 HydrophobicContact CB-CE2 3.92Å; L233-F259 HydrophobicContact CD2-CE2 3.62Å; L233-F259 HydrophobicContact CD2-CZ 4.07Å; L233-F259 HydrophobicContact CG-CE2 4.23Å; A234-F259 PolarHBondContact O-N 2.96Å; F235-F259 HydrophobicContact CD1-CB 3.79Å; F235-F259 HydrophobicContact CD1-CD2 4.5Å; F235-F259 HydrophobicContact CD1-CG 4.42Å; F235-F259 HydrophobicContact CE1-CB 3.67Å; F235-F259 AromaticContact CE1-CD2 3.83Å; F235-F259 HydrophobicContact CE1-CD2 3.83Å; F235-F259 AromaticContact CE1-CG 3.83Å; F235-F259 HydrophobicContact CE1-CG 3.83Å; F235-F259 HydrophobicContact CZ-CD2 4.15Å; Y236-F259 VanDerWaalsContact CE1-O 3.25Å; Y236-F259 WeakPolarHBondContact CE1-O 3.37Å; T257-F259 HydrophobicContact CG2-CD2 4.36Å; T257-F259 HydrophobicContact CG2-CE2 3.56Å; T257-F259 HydrophobicContact CG2-CZ 3.67Å; T257-F259 WeakPolarHBondContact O-CD2 3.34Å; F259-T261 VanDerWaalsContact C-N 3.27Å; F259-T261 HydrophobicContact CB-CG2 4.32Å; F259-T261 PolarHBondContact O-N 2.79Å; F259-T261 VanDerWaalsContact O-N 3.12Å; F259-E284 HydrophobicContact CE1-CB 4.4Å; F259-E284 HydrophobicContact CE1-CG 3.93Å; F259-E284 HydrophobicContact CZ-CG 3.82Å; F259-L287 HydrophobicContact CD1-CB 3.99Å; F259-L287 HydrophobicContact CD1-CD1 3.83Å; F259-L287 HydrophobicContact CD2-CD1 4.35Å; F259-L287 HydrophobicContact CE1-CB 4.15Å; F259-L287 HydrophobicContact CE1-CD1 3.68Å; F259-L287 HydrophobicContact CE2-CD1 4.23Å; F259-L287 HydrophobicContact CG-CD1 4.17Å; F259-L287 HydrophobicContact CZ-CD1 3.9Å |
| 260 | D | 91.3 | Very high | 93.1 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -86.1 | 65.7 | 174 | -169.2 | 9.7 | 0 | 0 | 0 | 110.9 | Y236 K242 K291 | Y236-D260 HydrophobicContact CE1-CB 4.38Å; Y236-D260 WeakPolarHBondContact OH-CB 3.48Å; Y236-D260 PolarHBondContact OH-OD1 3.26Å; K242-D260 IonicContact NZ-OD2 2.59Å; D260-K291 WeakPolarHBondContact O-CG 3.36Å | ||
| 261 | T | 91.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -137.7 | 171.1 | -171.3 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | F259 M263 S266 L287 L290 | F259-T261 VanDerWaalsContact C-N 3.27Å; F259-T261 HydrophobicContact CB-CG2 4.32Å; F259-T261 PolarHBondContact O-N 2.79Å; F259-T261 VanDerWaalsContact O-N 3.12Å; T261-M263 PolarHBondContact O-N 3.39Å; T261-S266 WeakPolarHBondContact CB-OG 3.45Å; T261-S266 WeakPolarHBondContact OG1-CB 3.24Å; T261-S266 PolarHBondContact OG1-OG 2.99Å; T261-L287 VanDerWaalsContact CG2-O 3.29Å; T261-L287 WeakPolarHBondContact CG2-O 3.47Å; T261-L290 WeakPolarHBondContact CA-O 3.4Å; T261-L290 WeakPolarHBondContact CB-O 3.46Å |
| 262 | A | 89 | Confident | 92.7 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | trans | -60.4 | 114.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V264 E265 S266 L290 V292 | A262-V264 PolarHBondContact O-N 2.77Å; A262-E265 HydrophobicContact CB-CB 4.38Å; A262-E265 WeakPolarHBondContact CB-OE2 2.92Å; A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 2.68Å; A262-S266 PolarHBondContact O-OG 3.28Å; A262-L290 PolarHBondContact N-O 3.47Å; A262-V292 HydrophobicContact CB-CG2 3.89Å | ||
| 263 | M | 89 | Confident | 92.5 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.9 | -51.2 | -165 | -174.6 | -179.3 | 62.2 | 0 | 0 | 113.1 | L189 F235 Y236 D237 T261 A267 | L189-M263 HydrophobicContact CD2-CE 4.06Å; L189-M263 HydrophobicContact CD2-SD 4.42Å; F235-M263 HydrophobicContact CB-CG 3.98Å; Y236-M263 WeakPolarHBondContact O-CB 3.47Å; D237-M263 HydrophobicContact CB-CE 4.11Å; D237-M263 HydrophobicContact CB-SD 3.98Å; D237-M263 PolarHBondContact N-SD 3.26Å; D237-M263 VanDerWaalsContact N-SD 3.41Å; T261-M263 PolarHBondContact O-N 3.39Å; M263-A267 WeakPolarHBondContact O-CB 3.43Å; M263-A267 PolarHBondContact O-N 3.26Å |
| 264 | V | 86.4 | Confident | 92.4 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.9 | -50.5 | -172 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L189 L192 A262 S266 A267 Y268 | L189-V264 HydrophobicContact CD1-CB 4.47Å; L189-V264 HydrophobicContact CD1-CG1 4.2Å; L189-V264 HydrophobicContact CD1-CG2 4.11Å; L192-V264 HydrophobicContact CD2-CG1 3.65Å; A262-V264 PolarHBondContact O-N 2.77Å; V264-S266 VanDerWaalsContact C-N 3.29Å; V264-S266 PolarHBondContact O-N 2.86Å; V264-A267 PolarHBondContact O-N 3.19Å; V264-Y268 VanDerWaalsContact O-CB 3.28Å; V264-Y268 WeakPolarHBondContact O-CB 3.35Å; V264-Y268 PolarHBondContact O-N 2.96Å |
| 265 | E | 88.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 41.6 Ų | 41.6 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | -179.5 | -67.5 | 78.8 | -179.4 | 0 | 0 | 111.2 | A262 T269 L290 | A262-E265 HydrophobicContact CB-CB 4.38Å; A262-E265 WeakPolarHBondContact CB-OE2 2.92Å; E265-T269 WeakPolarHBondContact O-CB 3.25Å; E265-T269 PolarHBondContact O-N 2.97Å; E265-T269 PolarHBondContact O-OG1 2.87Å; E265-L290 HydrophobicContact CB-CD1 4.16Å |
| 266 | S | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.3 | -45.7 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | F235 T261 A262 V264 Y268 T269 A270 L287 | F235-S266 VanDerWaalsContact CD1-CB 3.47Å; F235-S266 VanDerWaalsContact CE1-CB 3.43Å; T261-S266 WeakPolarHBondContact CB-OG 3.45Å; T261-S266 WeakPolarHBondContact OG1-CB 3.24Å; T261-S266 PolarHBondContact OG1-OG 2.99Å; A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 2.68Å; A262-S266 PolarHBondContact O-OG 3.28Å; V264-S266 VanDerWaalsContact C-N 3.29Å; V264-S266 PolarHBondContact O-N 2.86Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 3.29Å; S266-T269 PolarHBondContact O-N 3.31Å; S266-A270 WeakPolarHBondContact O-CB 3.22Å; S266-A270 PolarHBondContact O-N 3.32Å; S266-L287 WeakPolarHBondContact O-CD2 3.47Å |
| 267 | A | 92 | Very high | 91.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I193 F235 M263 V264 C271 | I193-A267 HydrophobicContact CD1-CB 3.56Å; I193-A267 HydrophobicContact CG1-CB 4.36Å; F235-A267 HydrophobicContact CD2-CB 3.65Å; F235-A267 HydrophobicContact CE2-CB 4.09Å; F235-A267 HydrophobicContact CG-CB 4.12Å; M263-A267 WeakPolarHBondContact O-CB 3.43Å; M263-A267 PolarHBondContact O-N 3.26Å; V264-A267 PolarHBondContact O-N 3.19Å; A267-C271 WeakPolarHBondContact O-CB 3.34Å; A267-C271 PolarHBondContact O-N 3.01Å; A267-C271 VanDerWaalsContact O-N 3.07Å; A267-C271 PolarHBondContact O-SG 2.91Å |
| 268 | Y | 90.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 174.2 | 177.8 | -87.6 | 0 | 0 | 0 | 111.9 | L192 V196 V264 S266 C271 A272 | L192-Y268 HydrophobicContact CD1-CD2 4.41Å; L192-Y268 HydrophobicContact CD1-CE2 4.46Å; L192-Y268 HydrophobicContact CG-CD2 4.12Å; V196-Y268 HydrophobicContact CB-CE2 4.14Å; V196-Y268 HydrophobicContact CG1-CD2 4.25Å; V196-Y268 HydrophobicContact CG1-CE2 3.31Å; V196-Y268 VanDerWaalsContact CG1-CZ 3.49Å; V196-Y268 WeakPolarHBondContact CG1-OH 3.41Å; V196-Y268 HydrophobicContact CG2-CD2 3.8Å; V196-Y268 HydrophobicContact CG2-CE2 3.73Å; V196-Y268 HydrophobicContact CG2-CG 4.47Å; V264-Y268 VanDerWaalsContact O-CB 3.28Å; V264-Y268 WeakPolarHBondContact O-CB 3.35Å; V264-Y268 PolarHBondContact O-N 2.96Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 PolarHBondContact O-N 3.29Å; Y268-C271 PolarHBondContact O-N 3Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 3.17Å |
| 269 | T | 92 | Very high | 91.3 | Very high | 41 Ų | 41 | 47 Ų | 47 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | -178.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | E265 S266 C271 A272 L273 L287 | E265-T269 WeakPolarHBondContact O-CB 3.25Å; E265-T269 PolarHBondContact O-N 2.97Å; E265-T269 PolarHBondContact O-OG1 2.87Å; S266-T269 PolarHBondContact O-N 3.31Å; T269-C271 VanDerWaalsContact C-N 3.34Å; T269-C271 PolarHBondContact O-N 3.2Å; T269-A272 PolarHBondContact O-N 2.71Å; T269-L273 HydrophobicContact CG2-CD1 3.76Å; T269-L273 HydrophobicContact CG2-CG 4.31Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.22Å; T269-L273 WeakPolarHBondContact O-CG 3.12Å; T269-L273 PolarHBondContact O-N 3.06Å; T269-L287 HydrophobicContact CG2-CD2 4.23Å |
| 270 | A | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L233 F235 S266 L273 L274 I283 L287 | L233-A270 HydrophobicContact CD1-CB 3.92Å; F235-A270 HydrophobicContact CE2-CB 4.02Å; F235-A270 HydrophobicContact CZ-CB 3.59Å; S266-A270 WeakPolarHBondContact O-CB 3.22Å; S266-A270 PolarHBondContact O-N 3.32Å; A270-L273 PolarHBondContact O-N 3.15Å; A270-L274 WeakPolarHBondContact O-CB 3.34Å; A270-L274 VanDerWaalsContact O-CG 3.28Å; A270-L274 WeakPolarHBondContact O-CG 3.39Å; A270-L274 PolarHBondContact O-N 3.14Å; A270-I283 HydrophobicContact CB-CG2 4.44Å; A270-L287 HydrophobicContact CB-CD1 4.07Å; A270-L287 HydrophobicContact CB-CD2 4.2Å |
| 271 | C | 91.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | -179.7 | -71 | 0 | 0 | 0 | 0 | 112.6 | I193 A197 A267 Y268 T269 L273 L274 A275 | I193-C271 HydrophobicContact CG2-CB 3.42Å; I193-C271 VanDerWaalsContact CG2-CB 3.42Å; I193-C271 WeakPolarHBondContact CG2-SG 3.35Å; A197-C271 HydrophobicContact CB-CB 3.61Å; A197-C271 WeakPolarHBondContact CB-O 3.46Å; A267-C271 WeakPolarHBondContact O-CB 3.34Å; A267-C271 PolarHBondContact O-N 3.01Å; A267-C271 VanDerWaalsContact O-N 3.07Å; A267-C271 PolarHBondContact O-SG 2.91Å; Y268-C271 PolarHBondContact O-N 3Å; T269-C271 VanDerWaalsContact C-N 3.34Å; T269-C271 PolarHBondContact O-N 3.2Å; C271-L273 VanDerWaalsContact C-N 3.29Å; C271-L273 PolarHBondContact O-N 2.95Å; C271-L274 PolarHBondContact O-N 3.4Å; C271-A275 VanDerWaalsContact O-CB 3.3Å; C271-A275 WeakPolarHBondContact O-CB 3.06Å; C271-A275 PolarHBondContact O-N 2.68Å |
| 272 | A | 90.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V196 Y268 T269 A276 | V196-A272 HydrophobicContact CB-CB 4.36Å; V196-A272 HydrophobicContact CG2-CB 4.33Å; Y268-A272 WeakPolarHBondContact O-CB 3.5Å; Y268-A272 PolarHBondContact O-N 3.17Å; T269-A272 PolarHBondContact O-N 2.71Å; A272-A276 WeakPolarHBondContact O-CB 3.1Å; A272-A276 PolarHBondContact O-N 3.07Å |
| 273 | L | 93.5 | Very high | 91.6 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.4 | -41.6 | 177.2 | -67.3 | 172.3 | 0 | 0 | 0 | 112 | T269 A270 C271 A275 A276 D277 V278 I283 Q286 | T269-L273 HydrophobicContact CG2-CD1 3.76Å; T269-L273 HydrophobicContact CG2-CG 4.31Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.22Å; T269-L273 WeakPolarHBondContact O-CG 3.12Å; T269-L273 PolarHBondContact O-N 3.06Å; A270-L273 PolarHBondContact O-N 3.15Å; C271-L273 VanDerWaalsContact C-N 3.29Å; C271-L273 PolarHBondContact O-N 2.95Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.17Å; L273-A276 CarbonylContact O-C 3.53Å; L273-A276 WeakPolarHBondContact O-CA 3.14Å; L273-A276 PolarHBondContact O-N 2.63Å; L273-D277 PolarHBondContact O-N 3.18Å; L273-V278 HydrophobicContact CB-CB 4.05Å; L273-V278 HydrophobicContact CB-CG1 4.5Å; L273-V278 HydrophobicContact CB-CG2 4.22Å; L273-V278 HydrophobicContact CD2-CB 4.42Å; L273-V278 HydrophobicContact CD2-CG1 4.44Å; L273-V278 HydrophobicContact CD2-CG2 3.93Å; L273-V278 WeakPolarHBondContact O-CB 3.33Å; L273-V278 WeakPolarHBondContact O-CG2 3.23Å; L273-V278 PolarHBondContact O-N 3.16Å; L273-I283 HydrophobicContact CB-CD1 4.1Å; L273-I283 HydrophobicContact CB-CG1 3.72Å; L273-I283 HydrophobicContact CD1-CB 4.47Å; L273-I283 HydrophobicContact CD1-CG1 4.05Å; L273-Q286 HydrophobicContact CD1-CB 4.02Å; L273-Q286 HydrophobicContact CD1-CG 4.12Å |
| 274 | L | 93.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 173.4 | -75.3 | 171 | 0 | 0 | 0 | 111.5 | V200 L233 A270 C271 A276 D277 I283 | V200-L274 HydrophobicContact CG1-CD1 4.07Å; V200-L274 HydrophobicContact CG2-CB 3.88Å; L233-L274 HydrophobicContact CD1-CD1 4.06Å; A270-L274 WeakPolarHBondContact O-CB 3.34Å; A270-L274 VanDerWaalsContact O-CG 3.28Å; A270-L274 WeakPolarHBondContact O-CG 3.39Å; A270-L274 PolarHBondContact O-N 3.14Å; C271-L274 PolarHBondContact O-N 3.4Å; L274-A276 PolarHBondContact O-N 3.17Å; L274-D277 PolarHBondContact O-N 3.06Å; L274-I283 HydrophobicContact CD2-CD1 3.63Å; L274-I283 HydrophobicContact CG-CD1 3.85Å |
| 275 | A | 89.9 | Confident | 92.2 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A197 V200 C271 L273 | A197-A275 HydrophobicContact CB-CB 3.86Å; V200-A275 HydrophobicContact CG2-CB 4.29Å; C271-A275 VanDerWaalsContact O-CB 3.3Å; C271-A275 WeakPolarHBondContact O-CB 3.06Å; C271-A275 PolarHBondContact O-N 2.68Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.17Å |
| 276 | A | 90.9 | Very high | 92.4 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 13.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A272 L273 L274 V278 | A272-A276 WeakPolarHBondContact O-CB 3.1Å; A272-A276 PolarHBondContact O-N 3.07Å; L273-A276 CarbonylContact O-C 3.53Å; L273-A276 WeakPolarHBondContact O-CA 3.14Å; L273-A276 PolarHBondContact O-N 2.63Å; L274-A276 PolarHBondContact O-N 3.17Å; A276-V278 HydrophobicContact CB-CG2 4.16Å; A276-V278 PolarHBondContact O-N 3.35Å |
| 277 | D | 91.3 | Very high | 92.5 | Very high | 158 Ų | 158 | 62.8 Ų | 62.8 | 85% | 0.845 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 32.5 | -179 | -62.4 | -53.7 | 0 | 0 | 0 | 113.7 | L273 L274 | L273-D277 PolarHBondContact O-N 3.18Å; L274-D277 PolarHBondContact O-N 3.06Å |
| 278 | V | 93.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | trans | -74.6 | 138.7 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | L273 A276 D282 I283 | L273-V278 HydrophobicContact CB-CB 4.05Å; L273-V278 HydrophobicContact CB-CG1 4.5Å; L273-V278 HydrophobicContact CB-CG2 4.22Å; L273-V278 HydrophobicContact CD2-CB 4.42Å; L273-V278 HydrophobicContact CD2-CG1 4.44Å; L273-V278 HydrophobicContact CD2-CG2 3.93Å; L273-V278 WeakPolarHBondContact O-CB 3.33Å; L273-V278 WeakPolarHBondContact O-CG2 3.23Å; L273-V278 PolarHBondContact O-N 3.16Å; A276-V278 HydrophobicContact CB-CG2 4.16Å; A276-V278 PolarHBondContact O-N 3.35Å; V278-D282 HydrophobicContact CG1-CB 3.65Å; V278-I283 HydrophobicContact CB-CD1 4.48Å; V278-I283 HydrophobicContact CB-CG1 4.23Å; V278-I283 HydrophobicContact CG1-CG1 3.99Å; V278-I283 WeakPolarHBondContact O-CD1 3.44Å | ||
| 279 | G | 91.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 66 Ų | 66 | 42% | 0.423 | 38% | 0.381 | S | S | . | . | trans | -67.7 | 152 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E281 D282 I283 | G279-E281 VanDerWaalsContact C-N 3.32Å; G279-E281 PolarHBondContact O-N 3.49Å; G279-D282 PolarHBondContact O-N 2.95Å; G279-D282 VanDerWaalsContact O-N 3.16Å; G279-I283 WeakPolarHBondContact O-CG1 3.21Å; G279-I283 PolarHBondContact O-N 3.27Å | ||
| 280 | E | 90.6 | Very high | 92.4 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.8 | -45.1 | -177.4 | -172.6 | 178.3 | -170.6 | 0 | 0 | 112.7 | K255 D282 I283 E284 | K255-E280 IonicContact NZ-OE1 3.08Å; K255-E280 PolarHBondContact NZ-OE1 2.66Å; K255-E280 IonicContact NZ-OE2 3.69Å; K255-E280 PolarHBondContact NZ-OE2 2.76Å; K255-E280 VanDerWaalsContact NZ-OE2 3.15Å; E280-D282 VanDerWaalsContact C-N 3.35Å; E280-D282 PolarHBondContact O-N 3.33Å; E280-I283 WeakPolarHBondContact O-CB 3.21Å; E280-I283 PolarHBondContact O-N 3.39Å; E280-E284 WeakPolarHBondContact O-CG 3.1Å; E280-E284 PolarHBondContact O-N 2.63Å |
| 281 | E | 92.7 | Very high | 92.1 | Very high | 166 Ų | 166 | 72.4 Ų | 72.4 | 78% | 0.776 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | -178.3 | -163.1 | 174.6 | -167.7 | 0 | 0 | 112.5 | G279 Q285 | G279-E281 VanDerWaalsContact C-N 3.32Å; G279-E281 PolarHBondContact O-N 3.49Å; E281-Q285 WeakPolarHBondContact O-CB 3.25Å; E281-Q285 PolarHBondContact O-N 3.26Å |
| 282 | D | 94 | Very high | 91.2 | Very high | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 176.4 | -72 | -35.7 | 0 | 0 | 0 | 111.2 | V278 G279 E280 Q285 Q286 | V278-D282 HydrophobicContact CG1-CB 3.65Å; G279-D282 PolarHBondContact O-N 2.95Å; G279-D282 VanDerWaalsContact O-N 3.16Å; E280-D282 VanDerWaalsContact C-N 3.35Å; E280-D282 PolarHBondContact O-N 3.33Å; D282-Q285 PolarHBondContact O-N 2.8Å; D282-Q286 VanDerWaalsContact O-CG 3.31Å; D282-Q286 WeakPolarHBondContact O-CG 3.46Å; D282-Q286 PolarHBondContact O-N 2.92Å |
| 283 | I | 94.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.015 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 174.2 | -67.4 | 171.4 | 0 | 0 | 0 | 109.6 | L233 A270 L273 L274 V278 G279 E280 Q285 Q286 L287 | L233-I283 HydrophobicContact CD1-CG2 4Å; A270-I283 HydrophobicContact CB-CG2 4.44Å; L273-I283 HydrophobicContact CB-CD1 4.1Å; L273-I283 HydrophobicContact CB-CG1 3.72Å; L273-I283 HydrophobicContact CD1-CB 4.47Å; L273-I283 HydrophobicContact CD1-CG1 4.05Å; L274-I283 HydrophobicContact CD2-CD1 3.63Å; L274-I283 HydrophobicContact CG-CD1 3.85Å; V278-I283 HydrophobicContact CB-CD1 4.48Å; V278-I283 HydrophobicContact CB-CG1 4.23Å; V278-I283 HydrophobicContact CG1-CG1 3.99Å; V278-I283 WeakPolarHBondContact O-CD1 3.44Å; G279-I283 WeakPolarHBondContact O-CG1 3.21Å; G279-I283 PolarHBondContact O-N 3.27Å; E280-I283 WeakPolarHBondContact O-CB 3.21Å; E280-I283 PolarHBondContact O-N 3.39Å; I283-Q285 PolarHBondContact O-N 2.67Å; I283-Q286 PolarHBondContact O-N 3.38Å; I283-Q286 VanDerWaalsContact O-N 3.12Å; I283-L287 HydrophobicContact CG2-CD1 3.65Å; I283-L287 HydrophobicContact CG2-CG 4.07Å; I283-L287 VanDerWaalsContact O-CG 3.27Å; I283-L287 WeakPolarHBondContact O-CG 3.21Å; I283-L287 PolarHBondContact O-N 3.33Å |
| 284 | E | 94 | Very high | 89.6 | Confident | 78 Ų | 78 | 89.4 Ų | 89.4 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.1 | -42.7 | 178.3 | -74.3 | -173.3 | 171.9 | 0 | 0 | 111.9 | F259 E280 Q286 L287 A288 | F259-E284 HydrophobicContact CE1-CB 4.4Å; F259-E284 HydrophobicContact CE1-CG 3.93Å; F259-E284 HydrophobicContact CZ-CG 3.82Å; E280-E284 WeakPolarHBondContact O-CG 3.1Å; E280-E284 PolarHBondContact O-N 2.63Å; E284-Q286 PolarHBondContact O-N 3.4Å; E284-L287 PolarHBondContact O-N 3.07Å; E284-A288 WeakPolarHBondContact O-CB 3.46Å; E284-A288 PolarHBondContact O-N 3.2Å |
| 285 | Q | 93.5 | Very high | 89.4 | Confident | 138 Ų | 138 | 90.5 Ų | 90.5 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 179 | -163.9 | 177.3 | 30.8 | 0 | 0 | 112.5 | E281 D282 I283 | E281-Q285 WeakPolarHBondContact O-CB 3.25Å; E281-Q285 PolarHBondContact O-N 3.26Å; D282-Q285 PolarHBondContact O-N 2.8Å; I283-Q285 PolarHBondContact O-N 2.67Å |
| 286 | Q | 93.3 | Very high | 89.4 | Confident | 106 Ų | 106 | 92.6 Ų | 92.6 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 175.5 | -68.5 | -68.4 | -9.2 | 0 | 0 | 111.2 | L273 D282 I283 E284 A288 T289 | L273-Q286 HydrophobicContact CD1-CB 4.02Å; L273-Q286 HydrophobicContact CD1-CG 4.12Å; D282-Q286 VanDerWaalsContact O-CG 3.31Å; D282-Q286 WeakPolarHBondContact O-CG 3.46Å; D282-Q286 PolarHBondContact O-N 2.92Å; I283-Q286 PolarHBondContact O-N 3.38Å; I283-Q286 VanDerWaalsContact O-N 3.12Å; E284-Q286 PolarHBondContact O-N 3.4Å; Q286-A288 VanDerWaalsContact C-N 3.29Å; Q286-A288 PolarHBondContact O-N 3.13Å; Q286-T289 WeakPolarHBondContact O-CB 3.29Å; Q286-T289 PolarHBondContact O-N 3.15Å; Q286-T289 VanDerWaalsContact O-N 3.13Å; Q286-T289 PolarHBondContact O-OG1 3.17Å |
| 287 | L | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 94.3 Ų | 94.3 | 0% | 0 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.8 | -34.1 | -179.7 | -64.8 | 179 | 0 | 0 | 0 | 112.2 | F235 F259 T261 S266 T269 A270 I283 E284 T289 L290 | F235-L287 HydrophobicContact CE1-CD1 3.98Å; F235-L287 HydrophobicContact CZ-CD1 3.97Å; F259-L287 HydrophobicContact CD1-CB 3.99Å; F259-L287 HydrophobicContact CD1-CD1 3.83Å; F259-L287 HydrophobicContact CD2-CD1 4.35Å; F259-L287 HydrophobicContact CE1-CB 4.15Å; F259-L287 HydrophobicContact CE1-CD1 3.68Å; F259-L287 HydrophobicContact CE2-CD1 4.23Å; F259-L287 HydrophobicContact CG-CD1 4.17Å; F259-L287 HydrophobicContact CZ-CD1 3.9Å; T261-L287 VanDerWaalsContact CG2-O 3.29Å; T261-L287 WeakPolarHBondContact CG2-O 3.47Å; S266-L287 WeakPolarHBondContact O-CD2 3.47Å; T269-L287 HydrophobicContact CG2-CD2 4.23Å; A270-L287 HydrophobicContact CB-CD1 4.07Å; A270-L287 HydrophobicContact CB-CD2 4.2Å; I283-L287 HydrophobicContact CG2-CD1 3.65Å; I283-L287 HydrophobicContact CG2-CG 4.07Å; I283-L287 VanDerWaalsContact O-CG 3.27Å; I283-L287 WeakPolarHBondContact O-CG 3.21Å; I283-L287 PolarHBondContact O-N 3.33Å; E284-L287 PolarHBondContact O-N 3.07Å; L287-T289 PolarHBondContact O-N 3.32Å; L287-L290 HydrophobicContact CD2-CD1 4.25Å; L287-L290 WeakPolarHBondContact O-CB 3.36Å; L287-L290 PolarHBondContact O-N 3.07Å |
| 288 | A | 91.6 | Very high | 89.2 | Confident | 65 Ų | 65 | 90.3 Ų | 90.3 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -57.8 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E284 Q286 L290 | E284-A288 WeakPolarHBondContact O-CB 3.46Å; E284-A288 PolarHBondContact O-N 3.2Å; Q286-A288 VanDerWaalsContact C-N 3.29Å; Q286-A288 PolarHBondContact O-N 3.13Å; A288-L290 VanDerWaalsContact C-N 3.26Å; A288-L290 PolarHBondContact O-N 2.66Å |
| 289 | T | 90.7 | Very high | 88.9 | Confident | 103 Ų | 103 | 93.4 Ų | 93.4 | 63% | 0.632 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -74.1 | -17 | 175.7 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | Q286 L287 | Q286-T289 WeakPolarHBondContact O-CB 3.29Å; Q286-T289 PolarHBondContact O-N 3.15Å; Q286-T289 VanDerWaalsContact O-N 3.13Å; Q286-T289 PolarHBondContact O-OG1 3.17Å; L287-T289 PolarHBondContact O-N 3.32Å |
| 290 | L | 90.5 | Very high | 88.7 | Confident | 46 Ų | 46 | 97.1 Ų | 97.1 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -96.2 | 15.5 | -177.8 | -57.2 | 176.9 | 0 | 0 | 0 | 112.9 | T261 A262 E265 L287 A288 V292 | T261-L290 WeakPolarHBondContact CA-O 3.4Å; T261-L290 WeakPolarHBondContact CB-O 3.46Å; A262-L290 PolarHBondContact N-O 3.47Å; E265-L290 HydrophobicContact CB-CD1 4.16Å; L287-L290 HydrophobicContact CD2-CD1 4.25Å; L287-L290 WeakPolarHBondContact O-CB 3.36Å; L287-L290 PolarHBondContact O-N 3.07Å; A288-L290 VanDerWaalsContact C-N 3.26Å; A288-L290 PolarHBondContact O-N 2.66Å; L290-V292 PolarHBondContact O-N 3.05Å |
| 291 | K | 86.7 | Confident | 88.6 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | trans | -61.2 | 125.1 | 178.6 | -143.6 | 179.9 | -177 | 169.5 | 0 | 110.7 | D260 K293 | D260-K291 WeakPolarHBondContact O-CG 3.36Å; K291-K293 PolarHBondContact O-N 2.78Å | ||
| 292 | V | 72.9 | Confident | 88.2 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 53% | 0.527 | 47% | 0.473 | S | S | . | . | trans | -72.1 | 123 | 173.9 | -171.5 | 0 | 0 | 0 | 0 | 107.5 | A262 L290 | A262-V292 HydrophobicContact CB-CG2 3.89Å; L290-V292 PolarHBondContact O-N 3.05Å | ||
| 293 | K | 61.4 | Low | 87.7 | Confident | 265 Ų | 265 | 92.9 Ų | 92.9 | 100% | 1.152 | 47% | 0.471 | S | S | * | . | trans | -87.8 | 0 | -179.2 | -74.2 | -175.6 | -179.5 | 175.7 | 0 | 112.3 | K291 | K291-K293 PolarHBondContact O-N 2.78Š|
Retrieved 293 of 293 residues in 771.9 ms
(Link to these results)