| 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 | 63 | Low | 89 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 53% | 0.527 | 20% | 0.202 | S | C | . | . | 0 | 129.5 | 0 | -168.1 | 175.6 | -66.7 | 0 | 0 | 106.1 | Q5 N9 L65 | M1-Q5 HydrophobicContact CE-CG 4.48Å; M1-Q5 HydrophobicContact CG-CB 3.6Å; M1-Q5 HydrophobicContact CG-CG 3.65Å; M1-Q5 HydrophobicContact SD-CB 4.22Å; M1-Q5 HydrophobicContact SD-CG 3.85Å; M1-N9 WeakPolarHBondContact CE-ND2 3.37Å; M1-N9 PolarHBondContact SD-ND2 3.32Å; M1-L65 WeakPolarHBondContact O-CD1 3.42Å | |||
| 2 | D | 85 | Confident | 88.5 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | trans | -73.6 | 170.3 | 174.4 | 61.9 | 38.1 | 0 | 0 | 0 | 110.9 | L4 Q5 S6 | D2-L4 VanDerWaalsContact C-N 3.27Å; D2-L4 PolarHBondContact O-N 3.17Å; D2-L4 PolarHBondContact OD1-N 3.28Å; D2-Q5 PolarHBondContact O-N 2.99Å; D2-Q5 WeakPolarHBondContact OD1-CB 3.46Å; D2-Q5 PolarHBondContact OD1-N 3.37Å; D2-S6 PolarHBondContact O-N 3.05Å; D2-S6 VanDerWaalsContact O-N 3.08Å; D2-S6 PolarHBondContact O-OG 3.46Å | ||
| 3 | V | 91.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -33.5 | -176.7 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | S6 L7 Y37 I74 L77 | V3-S6 VanDerWaalsContact C-OG 3.31Å; V3-S6 VanDerWaalsContact CA-OG 3.26Å; V3-S6 WeakPolarHBondContact CA-OG 3.47Å; V3-S6 PolarHBondContact O-OG 3.41Å; V3-L7 VanDerWaalsContact O-CB 3.31Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 PolarHBondContact O-N 2.9Å; V3-Y37 HydrophobicContact CG1-CE1 4.11Å; V3-I74 HydrophobicContact CG1-CB 4.46Å; V3-I74 HydrophobicContact CG1-CG1 3.52Å; V3-L77 HydrophobicContact CG1-CD1 3.85Å |
| 4 | L | 92 | Very high | 88.7 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.7 | -45.7 | -178.8 | 176.8 | 59.8 | 0 | 0 | 0 | 110.9 | D2 L7 K8 L77 V374 | D2-L4 VanDerWaalsContact C-N 3.27Å; D2-L4 PolarHBondContact O-N 3.17Å; D2-L4 PolarHBondContact OD1-N 3.28Å; L4-L7 PolarHBondContact O-N 2.86Å; L4-K8 WeakPolarHBondContact O-CG 3.4Å; L4-K8 PolarHBondContact O-N 3.16Å; L4-L77 HydrophobicContact CD1-CD2 4Å; L4-V374 HydrophobicContact CD1-CG2 3.54Å |
| 5 | Q | 91 | Very high | 88.9 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.4 | -36.6 | 178.1 | -173 | 62.2 | 52.5 | 0 | 0 | 111.7 | M1 D2 K8 N9 | M1-Q5 HydrophobicContact CE-CG 4.48Å; M1-Q5 HydrophobicContact CG-CB 3.6Å; M1-Q5 HydrophobicContact CG-CG 3.65Å; M1-Q5 HydrophobicContact SD-CB 4.22Å; M1-Q5 HydrophobicContact SD-CG 3.85Å; D2-Q5 PolarHBondContact O-N 2.99Å; D2-Q5 WeakPolarHBondContact OD1-CB 3.46Å; D2-Q5 PolarHBondContact OD1-N 3.37Å; Q5-K8 PolarHBondContact O-N 3.35Å; Q5-N9 PolarHBondContact NE2-OD1 3.5Å; Q5-N9 VanDerWaalsContact O-CG 3.25Å; Q5-N9 PolarHBondContact O-N 2.91Å; Q5-N9 PolarHBondContact O-OD1 3.45Å |
| 6 | S | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | D2 V3 N9 F10 Y37 M59 H60 | D2-S6 PolarHBondContact O-N 3.05Å; D2-S6 VanDerWaalsContact O-N 3.08Å; D2-S6 PolarHBondContact O-OG 3.46Å; V3-S6 VanDerWaalsContact C-OG 3.31Å; V3-S6 VanDerWaalsContact CA-OG 3.26Å; V3-S6 WeakPolarHBondContact CA-OG 3.47Å; V3-S6 PolarHBondContact O-OG 3.41Å; S6-N9 PolarHBondContact O-N 3.31Å; S6-F10 VanDerWaalsContact O-CB 3.28Å; S6-F10 WeakPolarHBondContact O-CB 3.43Å; S6-F10 PolarHBondContact O-N 2.8Å; S6-Y37 WeakPolarHBondContact CB-OH 3.44Å; S6-Y37 PolarHBondContact OG-OH 3.35Å; S6-M59 WeakPolarHBondContact CB-O 3.41Å; S6-H60 WeakPolarHBondContact CB-O 3.21Å |
| 7 | L | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 172 | 166.4 | 63 | 0 | 0 | 0 | 112 | V3 L4 F10 S11 F34 Y37 L77 V374 | V3-L7 VanDerWaalsContact O-CB 3.31Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 PolarHBondContact O-N 2.9Å; L4-L7 PolarHBondContact O-N 2.86Å; L7-F10 PolarHBondContact O-N 2.71Å; L7-S11 WeakPolarHBondContact O-CB 3.28Å; L7-S11 PolarHBondContact O-N 3.12Å; L7-S11 PolarHBondContact O-OG 3.23Å; L7-F34 HydrophobicContact CD1-CD2 4.44Å; L7-F34 HydrophobicContact CD2-CD2 3.59Å; L7-F34 HydrophobicContact CD2-CE2 3.77Å; L7-Y37 HydrophobicContact CB-CD1 4.22Å; L7-Y37 HydrophobicContact CB-CE1 4.17Å; L7-Y37 HydrophobicContact CB-CG 4.44Å; L7-Y37 HydrophobicContact CD1-CD1 4.05Å; L7-Y37 HydrophobicContact CD1-CD2 4.28Å; L7-Y37 HydrophobicContact CD1-CG 3.75Å; L7-L77 HydrophobicContact CD2-CD1 4.03Å; L7-V374 HydrophobicContact CD2-CG1 3.93Å |
| 8 | K | 92.2 | Very high | 89.1 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 14% | 0.143 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 177.7 | -70.9 | 176.9 | -176 | -167.9 | 0 | 111.7 | L4 Q5 S11 G12 S373 | L4-K8 WeakPolarHBondContact O-CG 3.4Å; L4-K8 PolarHBondContact O-N 3.16Å; Q5-K8 PolarHBondContact O-N 3.35Å; K8-S11 PolarHBondContact O-N 3.06Å; K8-G12 PolarHBondContact O-N 2.85Å; K8-S373 WeakPolarHBondContact CE-O 3.41Å; K8-S373 VanDerWaalsContact NZ-CB 3.27Å; K8-S373 PolarHBondContact NZ-O 3.17Å; K8-S373 PolarHBondContact NZ-OG 2.88Å |
| 9 | N | 89.9 | Confident | 89.1 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 178.8 | -68.9 | -0.9 | 0 | 0 | 0 | 112.1 | M1 Q5 S6 R13 H60 | M1-N9 WeakPolarHBondContact CE-ND2 3.37Å; M1-N9 PolarHBondContact SD-ND2 3.32Å; Q5-N9 PolarHBondContact NE2-OD1 3.5Å; Q5-N9 VanDerWaalsContact O-CG 3.25Å; Q5-N9 PolarHBondContact O-N 2.91Å; Q5-N9 PolarHBondContact O-OD1 3.45Å; S6-N9 PolarHBondContact O-N 3.31Å; N9-R13 PolarHBondContact O-N 3.11Å; N9-H60 HydrophobicContact CB-CB 4.45Å |
| 10 | F | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 174 | 171.6 | -100 | 0 | 0 | 0 | 111.1 | S6 L7 G12 R13 F14 P33 V36 Y37 L40 V58 M293 | S6-F10 VanDerWaalsContact O-CB 3.28Å; S6-F10 WeakPolarHBondContact O-CB 3.43Å; S6-F10 PolarHBondContact O-N 2.8Å; L7-F10 PolarHBondContact O-N 2.71Å; F10-G12 PolarHBondContact O-N 3.4Å; F10-R13 PolarHBondContact O-N 2.9Å; F10-F14 HydrophobicContact CD1-CB 4.37Å; F10-F14 HydrophobicContact CD2-CB 4.27Å; F10-F14 HydrophobicContact CE1-CB 4.02Å; F10-F14 AromaticContact CE1-CD1 3.9Å; F10-F14 HydrophobicContact CE1-CD1 3.9Å; F10-F14 AromaticContact CE1-CG 3.95Å; F10-F14 HydrophobicContact CE1-CG 3.95Å; F10-F14 HydrophobicContact CE2-CB 3.91Å; F10-F14 HydrophobicContact CE2-CD2 4.14Å; F10-F14 HydrophobicContact CE2-CG 4.03Å; F10-F14 HydrophobicContact CG-CB 4.49Å; F10-F14 HydrophobicContact CZ-CB 3.77Å; F10-F14 AromaticContact CZ-CD1 3.83Å; F10-F14 HydrophobicContact CZ-CD1 3.83Å; F10-F14 AromaticContact CZ-CD2 3.82Å; F10-F14 HydrophobicContact CZ-CD2 3.82Å; F10-F14 HydrophobicContact CZ-CE1 4.35Å; F10-F14 HydrophobicContact CZ-CE2 4.38Å; F10-F14 AromaticContact CZ-CG 3.52Å; F10-F14 HydrophobicContact CZ-CG 3.52Å; F10-F14 WeakPolarHBondContact O-CB 3.47Å; F10-F14 PolarHBondContact O-N 2.79Å; F10-P33 HydrophobicContact CD1-CB 4.45Å; F10-P33 HydrophobicContact CE1-CB 4.27Å; F10-P33 WeakPolarHBondContact CE1-O 3.38Å; F10-V36 HydrophobicContact CE1-CB 4.35Å; F10-V36 HydrophobicContact CE1-CG1 4.19Å; F10-V36 HydrophobicContact CZ-CB 4.46Å; F10-V36 HydrophobicContact CZ-CG1 3.82Å; F10-Y37 HydrophobicContact CB-CD2 3.84Å; F10-Y37 HydrophobicContact CB-CE2 4Å; F10-Y37 AromaticContact CD1-CD2 3.56Å; F10-Y37 HydrophobicContact CD1-CD2 3.56Å; F10-Y37 HydrophobicContact CD1-CG 4.24Å; F10-Y37 HydrophobicContact CD2-CD2 4.34Å; F10-Y37 HydrophobicContact CE1-CD2 4.2Å; F10-Y37 AromaticContact CG-CD2 3.64Å; F10-Y37 HydrophobicContact CG-CD2 3.64Å; F10-Y37 HydrophobicContact CG-CE2 4.21Å; F10-L40 HydrophobicContact CD2-CD1 4.47Å; F10-L40 HydrophobicContact CE2-CD1 3.61Å; F10-L40 HydrophobicContact CZ-CD1 3.68Å; F10-V58 WeakPolarHBondContact CD2-O 3.47Å; F10-V58 HydrophobicContact CE2-CG1 4.16Å; F10-M293 HydrophobicContact CD2-CE 4.4Å; F10-M293 HydrophobicContact CE2-CE 4.21Å |
| 11 | S | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | -172.9 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | L7 K8 Y15 L378 | L7-S11 WeakPolarHBondContact O-CB 3.28Å; L7-S11 PolarHBondContact O-N 3.12Å; L7-S11 PolarHBondContact O-OG 3.23Å; K8-S11 PolarHBondContact O-N 3.06Å; S11-Y15 PolarHBondContact O-N 3.1Å; S11-L378 VanDerWaalsContact O-CD1 3.24Å; S11-L378 WeakPolarHBondContact O-CD1 3.27Å |
| 12 | G | 83.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K8 F10 | K8-G12 PolarHBondContact O-N 2.85Å; F10-G12 PolarHBondContact O-N 3.4Å |
| 13 | R | 87.5 | Confident | 88.5 | Confident | 141 Ų | 141 | 39.8 Ų | 39.8 | 53% | 0.532 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.2 | -48.3 | -179.2 | -71.9 | 179.5 | 179.6 | -90.7 | -5.9 | 112.2 | N9 F10 Y15 G16 D17 H60 | N9-R13 PolarHBondContact O-N 3.11Å; F10-R13 PolarHBondContact O-N 2.9Å; R13-Y15 VanDerWaalsContact C-N 3.28Å; R13-Y15 PolarHBondContact O-N 3.15Å; R13-G16 PolarHBondContact O-N 2.95Å; R13-G16 VanDerWaalsContact O-N 3.15Å; R13-D17 PolarHBondContact O-N 3.05Å; R13-H60 WeakPolarHBondContact CD-NE2 3.32Å |
| 14 | F | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -41.3 | -177.7 | 176.2 | -117.6 | 0 | 0 | 0 | 112.4 | F10 D17 I18 L31 P33 V36 L286 L290 M293 | F10-F14 HydrophobicContact CD1-CB 4.37Å; F10-F14 HydrophobicContact CD2-CB 4.27Å; F10-F14 HydrophobicContact CE1-CB 4.02Å; F10-F14 AromaticContact CE1-CD1 3.9Å; F10-F14 HydrophobicContact CE1-CD1 3.9Å; F10-F14 AromaticContact CE1-CG 3.95Å; F10-F14 HydrophobicContact CE1-CG 3.95Å; F10-F14 HydrophobicContact CE2-CB 3.91Å; F10-F14 HydrophobicContact CE2-CD2 4.14Å; F10-F14 HydrophobicContact CE2-CG 4.03Å; F10-F14 HydrophobicContact CG-CB 4.49Å; F10-F14 HydrophobicContact CZ-CB 3.77Å; F10-F14 AromaticContact CZ-CD1 3.83Å; F10-F14 HydrophobicContact CZ-CD1 3.83Å; F10-F14 AromaticContact CZ-CD2 3.82Å; F10-F14 HydrophobicContact CZ-CD2 3.82Å; F10-F14 HydrophobicContact CZ-CE1 4.35Å; F10-F14 HydrophobicContact CZ-CE2 4.38Å; F10-F14 AromaticContact CZ-CG 3.52Å; F10-F14 HydrophobicContact CZ-CG 3.52Å; F10-F14 WeakPolarHBondContact O-CB 3.47Å; F10-F14 PolarHBondContact O-N 2.79Å; F14-D17 PolarHBondContact O-N 2.98Å; F14-I18 HydrophobicContact CD2-CG1 4.25Å; F14-I18 HydrophobicContact CE1-CG1 4.34Å; F14-I18 HydrophobicContact CE2-CD1 3.95Å; F14-I18 HydrophobicContact CE2-CG1 3.83Å; F14-I18 HydrophobicContact CZ-CD1 4.01Å; F14-I18 HydrophobicContact CZ-CG1 3.87Å; F14-I18 VanDerWaalsContact O-CG1 3.29Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 2.77Å; F14-L31 HydrophobicContact CD1-CD1 3.93Å; F14-L31 HydrophobicContact CE1-CD1 3.53Å; F14-P33 HydrophobicContact CD1-CB 4.08Å; F14-V36 HydrophobicContact CE1-CB 3.91Å; F14-V36 HydrophobicContact CE1-CG1 3.82Å; F14-V36 HydrophobicContact CE1-CG2 3.79Å; F14-V36 HydrophobicContact CE2-CG1 4.3Å; F14-V36 HydrophobicContact CZ-CB 4.23Å; F14-V36 HydrophobicContact CZ-CG1 3.69Å; F14-V36 HydrophobicContact CZ-CG2 4.05Å; F14-L286 HydrophobicContact CZ-CD1 4.03Å; F14-L286 HydrophobicContact CZ-CD2 3.85Å; F14-L286 HydrophobicContact CZ-CG 4.48Å; F14-L290 HydrophobicContact CE2-CD2 4.41Å; F14-M293 HydrophobicContact CB-CE 4.33Å; F14-M293 HydrophobicContact CD2-CE 4.48Å; F14-M293 HydrophobicContact CD2-SD 3.88Å |
| 15 | Y | 91.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 178.3 | 178.2 | -101 | 0 | 0 | 0 | 112.8 | S11 R13 I18 V19 T29 L31 L247 F365 L378 G379 H380 | S11-Y15 PolarHBondContact O-N 3.1Å; R13-Y15 VanDerWaalsContact C-N 3.28Å; R13-Y15 PolarHBondContact O-N 3.15Å; Y15-I18 PolarHBondContact O-N 3.34Å; Y15-V19 HydrophobicContact CD1-CG2 4.39Å; Y15-V19 HydrophobicContact CE1-CG2 3.94Å; Y15-V19 HydrophobicContact CE2-CG2 4.23Å; Y15-V19 WeakPolarHBondContact O-CG2 3.4Å; Y15-V19 PolarHBondContact O-N 2.66Å; Y15-V19 VanDerWaalsContact O-N 3.07Å; Y15-T29 HydrophobicContact CE2-CG2 4.13Å; Y15-L31 HydrophobicContact CD2-CD2 4.09Å; Y15-L31 HydrophobicContact CD2-CG 4.29Å; Y15-L247 HydrophobicContact CE1-CD2 3.92Å; Y15-F365 HydrophobicContact CD1-CE2 4.18Å; Y15-F365 HydrophobicContact CE1-CD2 4.11Å; Y15-F365 AromaticContact CE1-CE2 3.58Å; Y15-F365 HydrophobicContact CE1-CE2 3.58Å; Y15-F365 AromaticContact CZ-CE2 3.97Å; Y15-L378 HydrophobicContact CD1-CB 4.45Å; Y15-L378 HydrophobicContact CD2-CB 3.52Å; Y15-L378 HydrophobicContact CD2-CD1 4.48Å; Y15-L378 HydrophobicContact CE2-CB 3.95Å; Y15-L378 HydrophobicContact CG-CB 3.8Å; Y15-L378 HydrophobicContact CG-CD1 4.01Å; Y15-G379 VanDerWaalsContact OH-CA 3.28Å; Y15-G379 WeakPolarHBondContact OH-CA 2.9Å; Y15-G379 PolarHBondContact OH-O 3.43Å; Y15-H380 AromaticContact CZ-ND1 3.93Å; Y15-H380 PolarHBondContact OH-N 2.69Å; Y15-H380 PolarHBondContact OH-ND1 2.94Å |
| 16 | G | 90 | Very high | 85 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | R13 I18 V19 E20 H251 | R13-G16 PolarHBondContact O-N 2.95Å; R13-G16 VanDerWaalsContact O-N 3.15Å; G16-I18 VanDerWaalsContact C-N 3.3Å; G16-I18 PolarHBondContact O-N 2.74Å; G16-V19 PolarHBondContact O-N 2.64Å; G16-V19 VanDerWaalsContact O-N 3.14Å; G16-E20 PolarHBondContact O-N 2.79Å; G16-H251 VanDerWaalsContact CA-CD2 3.48Å; G16-H251 WeakPolarHBondContact CA-CD2 3.43Å |
| 17 | D | 90.4 | Very high | 84.5 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -35.2 | 177 | -63.5 | -17.8 | 0 | 0 | 0 | 112.1 | R13 F14 E21 H251 M293 | R13-D17 PolarHBondContact O-N 3.05Å; F14-D17 PolarHBondContact O-N 2.98Å; D17-E21 WeakPolarHBondContact O-CB 3.25Å; D17-E21 PolarHBondContact O-N 3.27Å; D17-H251 IonicContact OD1-CD2 3.3Å; D17-H251 IonicContact OD1-CE1 3.21Å; D17-H251 IonicContact OD1-NE2 3.38Å; D17-H251 PolarHBondContact OD1-NE2 3.17Å; D17-M293 WeakPolarHBondContact OD2-CG 3Å |
| 18 | I | 90.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 173.9 | -70.4 | -73.2 | 0 | 0 | 0 | 111.8 | F14 Y15 G16 E21 K22 T29 L31 I284 L286 C289 | F14-I18 HydrophobicContact CD2-CG1 4.25Å; F14-I18 HydrophobicContact CE1-CG1 4.34Å; F14-I18 HydrophobicContact CE2-CD1 3.95Å; F14-I18 HydrophobicContact CE2-CG1 3.83Å; F14-I18 HydrophobicContact CZ-CD1 4.01Å; F14-I18 HydrophobicContact CZ-CG1 3.87Å; F14-I18 VanDerWaalsContact O-CG1 3.29Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 2.77Å; Y15-I18 PolarHBondContact O-N 3.34Å; G16-I18 VanDerWaalsContact C-N 3.3Å; G16-I18 PolarHBondContact O-N 2.74Å; I18-E21 PolarHBondContact O-N 3.4Å; I18-K22 PolarHBondContact O-N 3.22Å; I18-K22 VanDerWaalsContact O-N 3.09Å; I18-T29 HydrophobicContact CG2-CG2 4.36Å; I18-L31 HydrophobicContact CB-CD2 4.17Å; I18-L31 HydrophobicContact CG1-CD2 4.23Å; I18-L31 HydrophobicContact CG2-CD2 3.7Å; I18-I284 HydrophobicContact CD1-CG2 4.47Å; I18-L286 HydrophobicContact CD1-CD2 4.01Å; I18-C289 HydrophobicContact CD1-CB 3.62Å; I18-C289 VanDerWaalsContact CD1-SG 3.59Å; I18-C289 HydrophobicContact CG1-CB 4.49Å |
| 19 | V | 88.5 | Confident | 84.1 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | Y15 G16 E21 K22 L247 | Y15-V19 HydrophobicContact CD1-CG2 4.39Å; Y15-V19 HydrophobicContact CE1-CG2 3.94Å; Y15-V19 HydrophobicContact CE2-CG2 4.23Å; Y15-V19 WeakPolarHBondContact O-CG2 3.4Å; Y15-V19 PolarHBondContact O-N 2.66Å; Y15-V19 VanDerWaalsContact O-N 3.07Å; G16-V19 PolarHBondContact O-N 2.64Å; G16-V19 VanDerWaalsContact O-N 3.14Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 2.84Å; V19-K22 PolarHBondContact O-N 2.82Å; V19-L247 HydrophobicContact CG1-CD1 4.35Å |
| 20 | E | 86.1 | Confident | 84.1 | Confident | 108 Ų | 108 | 42.2 Ų | 42.2 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -41 | 173.7 | -73.5 | -167.2 | 156 | 0 | 0 | 112 | G16 K22 Q23 H251 | G16-E20 PolarHBondContact O-N 2.79Å; E20-K22 PolarHBondContact O-N 2.94Å; E20-Q23 PolarHBondContact O-N 2.92Å; E20-H251 IonicContact OE1-CE1 2.88Å; E20-H251 PolarHBondContact OE1-CE1 2.83Å; E20-H251 IonicContact OE1-ND1 3.21Å; E20-H251 PolarHBondContact OE1-ND1 2.91Å; E20-H251 IonicContact OE2-CE1 3.54Å; E20-H251 PolarHBondContact OE2-CE1 3.11Å |
| 21 | E | 83.5 | Confident | 84 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | -179.1 | -165.8 | 61.5 | -155.5 | 0 | 0 | 112.9 | D17 I18 V19 Q23 D288 K292 | D17-E21 WeakPolarHBondContact O-CB 3.25Å; D17-E21 PolarHBondContact O-N 3.27Å; I18-E21 PolarHBondContact O-N 3.4Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 2.84Å; E21-Q23 PolarHBondContact O-N 3.12Å; E21-Q23 VanDerWaalsContact O-N 3.12Å; E21-D288 HydrophobicContact CG-CB 4.49Å; E21-K292 WeakPolarHBondContact OE1-CE 3.09Å; E21-K292 IonicContact OE1-NZ 3.44Å; E21-K292 PolarHBondContact OE1-NZ 3.38Å; E21-K292 WeakPolarHBondContact OE2-CD 3.41Å; E21-K292 WeakPolarHBondContact OE2-CE 3.39Å; E21-K292 IonicContact OE2-NZ 2.7Å; E21-K292 PolarHBondContact OE2-NZ 3.44Å |
| 22 | K | 77.4 | Confident | 84.1 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -20.4 | -177.4 | -80.9 | -172.6 | 168.3 | -168.2 | 0 | 112.5 | I18 V19 E20 S24 T29 E280 | I18-K22 PolarHBondContact O-N 3.22Å; I18-K22 VanDerWaalsContact O-N 3.09Å; V19-K22 PolarHBondContact O-N 2.82Å; E20-K22 PolarHBondContact O-N 2.94Å; K22-S24 PolarHBondContact O-N 3.13Å; K22-T29 PolarHBondContact NZ-OG1 2.7Å; K22-E280 IonicContact NZ-OE2 2.7Å; K22-E280 PolarHBondContact NZ-OE2 3.16Å |
| 23 | Q | 66.7 | Low | 84.6 | Confident | 166 Ų | 166 | 41.8 Ų | 41.8 | 78% | 0.776 | 20% | 0.203 | S | C | * | . | trans | 55.9 | -18.4 | -173.2 | -61.5 | -178.2 | 7 | 0 | 0 | 115.4 | E20 E21 H25 | E20-Q23 PolarHBondContact O-N 2.92Å; E21-Q23 PolarHBondContact O-N 3.12Å; E21-Q23 VanDerWaalsContact O-N 3.12Å; Q23-H25 PolarHBondContact O-N 3.09Å | ||
| 24 | S | 61.9 | Low | 85 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | trans | -96.8 | 80.5 | 177.9 | -171 | 0 | 0 | 0 | 0 | 109.2 | K22 S26 E27 | K22-S24 PolarHBondContact O-N 3.13Å; S24-S26 PolarHBondContact O-N 3.3Å; S24-S26 VanDerWaalsContact O-N 3.1Å; S24-S26 PolarHBondContact OG-OG 3.48Å; S24-E27 WeakPolarHBondContact CB-OE1 3.38Å; S24-E27 PolarHBondContact O-N 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.38Å; S24-E27 PolarHBondContact OG-OE1 2.89Å | ||
| 25 | H | 66.8 | Low | 85.1 | Confident | 47 Ų | 47 | 35.2 Ų | 35.2 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -1.8 | 170.3 | -58.6 | 56.5 | 0 | 0 | 0 | 112.1 | Q23 L192 L244 | Q23-H25 PolarHBondContact O-N 3.09Å; H25-L192 WeakPolarHBondContact O-CD1 3.12Å; H25-L244 HydrophobicContact CB-CD2 3.28Å |
| 26 | S | 72.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 34.8 Ų | 34.8 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.8 | 177.3 | 42 | 0 | 0 | 0 | 0 | 114 | S24 T382 | S24-S26 PolarHBondContact O-N 3.3Å; S24-S26 VanDerWaalsContact O-N 3.1Å; S24-S26 PolarHBondContact OG-OG 3.48Å; S26-T382 WeakPolarHBondContact O-CB 3.33Å; S26-T382 PolarHBondContact O-OG1 3.44Å |
| 27 | E | 84.3 | Confident | 85.6 | Confident | 105 Ų | 105 | 34.7 Ų | 34.7 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -86.8 | 159.3 | 176.6 | -77.9 | 162.3 | -135.3 | 0 | 0 | 110.2 | S24 H380 | S24-E27 WeakPolarHBondContact CB-OE1 3.38Å; S24-E27 PolarHBondContact O-N 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.38Å; S24-E27 PolarHBondContact OG-OE1 2.89Å; E27-H380 PolarHBondContact O-CD2 3.48Å; E27-H380 PolarHBondContact O-NE2 3.15Å |
| 28 | N | 88.9 | Confident | 85.9 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -61.9 | 167.1 | 167.2 | -67.2 | -28.3 | 0 | 0 | 0 | 108.9 | L278 E280 V381 T382 N383 | N28-L278 HydrophobicContact CB-CD2 3.57Å; N28-L278 WeakPolarHBondContact ND2-CD2 3.39Å; N28-E280 WeakPolarHBondContact CA-OE1 3.15Å; N28-E280 VanDerWaalsContact CB-OE1 3.32Å; N28-E280 WeakPolarHBondContact CB-OE1 3.39Å; N28-E280 VanDerWaalsContact O-CD 3.3Å; N28-V381 WeakPolarHBondContact OD1-CA 3.38Å; N28-T382 PolarHBondContact OD1-N 2.97Å; N28-T382 PolarHBondContact OD1-OG1 2.77Å; N28-N383 PolarHBondContact ND2-O 3.37Å; N28-N383 PolarHBondContact OD1-N 3.04Å; N28-N383 PolarHBondContact OD1-O 3.03Å | ||
| 29 | T | 88.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 137.1 | 163.4 | -71.3 | 0 | 0 | 0 | 0 | 107.8 | Y15 I18 K22 L31 G379 H380 | Y15-T29 HydrophobicContact CE2-CG2 4.13Å; I18-T29 HydrophobicContact CG2-CG2 4.36Å; K22-T29 PolarHBondContact NZ-OG1 2.7Å; T29-L31 HydrophobicContact CG2-CD2 3.97Å; T29-G379 CarbonylContact O-C 3.52Å; T29-G379 WeakPolarHBondContact O-CA 3.32Å; T29-H380 VanDerWaalsContact CB-CE1 3.47Å; T29-H380 WeakPolarHBondContact CB-CE1 3.29Å; T29-H380 PolarHBondContact N-O 3.46Å; T29-H380 PolarHBondContact O-N 3.11Å |
| 30 | F | 89.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 127.3 | 175.9 | -166.5 | -108.8 | 0 | 0 | 0 | 110.8 | L278 A324 L326 V366 F377 | F30-L278 HydrophobicContact CB-CB 3.8Å; F30-L278 HydrophobicContact CB-CD1 3.72Å; F30-L278 HydrophobicContact CB-CG 4.34Å; F30-L278 HydrophobicContact CD2-CD1 3.58Å; F30-L278 HydrophobicContact CE2-CD1 4.4Å; F30-L278 HydrophobicContact CG-CB 4.13Å; F30-L278 HydrophobicContact CG-CD1 3.77Å; F30-A324 HydrophobicContact CD1-CB 3.73Å; F30-A324 HydrophobicContact CE1-CB 3.99Å; F30-L326 HydrophobicContact CD1-CB 3.94Å; F30-L326 HydrophobicContact CD2-CD2 4.31Å; F30-L326 HydrophobicContact CE1-CB 3.57Å; F30-L326 HydrophobicContact CE1-CD1 4.34Å; F30-L326 HydrophobicContact CE1-CD2 4.5Å; F30-L326 HydrophobicContact CE1-CG 4.36Å; F30-L326 HydrophobicContact CE2-CB 4.19Å; F30-L326 HydrophobicContact CE2-CD2 3.67Å; F30-L326 HydrophobicContact CE2-CG 4.38Å; F30-L326 HydrophobicContact CG-CB 4.4Å; F30-L326 HydrophobicContact CZ-CB 3.69Å; F30-L326 HydrophobicContact CZ-CD1 3.86Å; F30-L326 HydrophobicContact CZ-CD2 3.77Å; F30-L326 HydrophobicContact CZ-CG 3.99Å; F30-V366 HydrophobicContact CD2-CG1 4.46Å; F30-F377 HydrophobicContact CD1-CD1 4.15Å; F30-F377 HydrophobicContact CE1-CB 4.04Å; F30-F377 AromaticContact CE1-CD1 3.22Å; F30-F377 HydrophobicContact CE1-CD1 3.22Å; F30-F377 AromaticContact CE1-CE1 3.73Å; F30-F377 HydrophobicContact CE1-CE1 3.73Å; F30-F377 AromaticContact CE1-CG 3.81Å; F30-F377 HydrophobicContact CE1-CG 3.81Å; F30-F377 HydrophobicContact CE2-CB 3.59Å; F30-F377 HydrophobicContact CE2-CD1 4.36Å; F30-F377 HydrophobicContact CE2-CG 4.25Å; F30-F377 HydrophobicContact CZ-CB 3.26Å; F30-F377 AromaticContact CZ-CD1 3.37Å; F30-F377 HydrophobicContact CZ-CD1 3.37Å; F30-F377 HydrophobicContact CZ-CD2 4.32Å; F30-F377 HydrophobicContact CZ-CE1 4.19Å; F30-F377 AromaticContact CZ-CG 3.42Å; F30-F377 HydrophobicContact CZ-CG 3.42Å; F30-F377 VanDerWaalsContact CZ-CG 3.42Å |
| 31 | L | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 166.4 | -178.4 | 64 | 100.4 | 0 | 0 | 0 | 111.3 | F14 Y15 I18 T29 P33 I284 H322 F377 L378 | F14-L31 HydrophobicContact CD1-CD1 3.93Å; F14-L31 HydrophobicContact CE1-CD1 3.53Å; Y15-L31 HydrophobicContact CD2-CD2 4.09Å; Y15-L31 HydrophobicContact CD2-CG 4.29Å; I18-L31 HydrophobicContact CB-CD2 4.17Å; I18-L31 HydrophobicContact CG1-CD2 4.23Å; I18-L31 HydrophobicContact CG2-CD2 3.7Å; T29-L31 HydrophobicContact CG2-CD2 3.97Å; L31-P33 HydrophobicContact CD1-CG 3.85Å; L31-P33 WeakPolarHBondContact O-CD 3.33Å; L31-I284 HydrophobicContact CB-CD1 4.37Å; L31-I284 HydrophobicContact CD2-CD1 4.38Å; L31-H322 WeakPolarHBondContact CA-NE2 3.49Å; L31-F377 CarbonylContact O-C 3.55Å; L31-F377 VanDerWaalsContact O-CA 3.24Å; L31-F377 WeakPolarHBondContact O-CA 3.45Å; L31-L378 PolarHBondContact N-O 2.91Å; L31-L378 PolarHBondContact O-N 3.35Å |
| 32 | S | 94.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -112.5 | 94.2 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | F34 N35 V36 T169 H322 I376 | S32-F34 PolarHBondContact O-N 3.31Å; S32-N35 PolarHBondContact O-N 3.14Å; S32-N35 VanDerWaalsContact O-N 3.09Å; S32-N35 PolarHBondContact OG-N 3.01Å; S32-V36 WeakPolarHBondContact O-CG2 3.37Å; S32-V36 PolarHBondContact O-N 3.41Å; S32-T169 VanDerWaalsContact CB-OG1 3.29Å; S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; S32-T169 PolarHBondContact OG-OG1 3.44Å; S32-H322 PolarHBondContact N-NE2 3.4Å; S32-I376 WeakPolarHBondContact CA-O 3.3Å; S32-I376 VanDerWaalsContact CB-O 3.3Å; S32-I376 WeakPolarHBondContact CB-O 3.16Å; S32-I376 PolarHBondContact OG-O 3.02Å | ||
| 33 | P | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -31.7 | 175.3 | -15.6 | 26 | 0 | 0 | 0 | 111.7 | F10 F14 L31 N35 V36 Y37 L378 | F10-P33 HydrophobicContact CD1-CB 4.45Å; F10-P33 HydrophobicContact CE1-CB 4.27Å; F10-P33 WeakPolarHBondContact CE1-O 3.38Å; F14-P33 HydrophobicContact CD1-CB 4.08Å; L31-P33 HydrophobicContact CD1-CG 3.85Å; L31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-N35 VanDerWaalsContact C-N 3.34Å; P33-N35 PolarHBondContact O-N 2.92Å; P33-V36 PolarHBondContact O-N 3.46Å; P33-Y37 VanDerWaalsContact O-CB 3.26Å; P33-Y37 WeakPolarHBondContact O-CB 3.39Å; P33-Y37 PolarHBondContact O-N 2.93Å; P33-L378 HydrophobicContact CG-CB 4.26Å; P33-L378 HydrophobicContact CG-CD1 3.51Å; P33-L378 HydrophobicContact CG-CG 3.8Å |
| 34 | F | 95.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.1 | -47.9 | 173.5 | -173.8 | -77.6 | 0 | 0 | 0 | 112.4 | L7 S32 Y37 T38 L77 L78 C81 F92 V374 I376 | L7-F34 HydrophobicContact CD1-CD2 4.44Å; L7-F34 HydrophobicContact CD2-CD2 3.59Å; L7-F34 HydrophobicContact CD2-CE2 3.77Å; S32-F34 PolarHBondContact O-N 3.31Å; F34-Y37 WeakPolarHBondContact O-CB 3.42Å; F34-T38 PolarHBondContact O-N 2.91Å; F34-T38 VanDerWaalsContact O-N 3.14Å; F34-T38 PolarHBondContact O-OG1 3.12Å; F34-T38 VanDerWaalsContact O-OG1 3.06Å; F34-L77 HydrophobicContact CE2-CB 4.26Å; F34-L77 HydrophobicContact CZ-CB 4.02Å; F34-L78 HydrophobicContact CE1-CG 4.13Å; F34-C81 HydrophobicContact CZ-CB 4Å; F34-F92 HydrophobicContact CD1-CD1 4.22Å; F34-F92 AromaticContact CD1-CE1 3.41Å; F34-F92 HydrophobicContact CD1-CE1 3.41Å; F34-F92 VanDerWaalsContact CD1-CE1 3.41Å; F34-F92 HydrophobicContact CD1-CE2 4.32Å; F34-F92 AromaticContact CD1-CZ 3.46Å; F34-F92 HydrophobicContact CD1-CZ 3.46Å; F34-F92 VanDerWaalsContact CD1-CZ 3.46Å; F34-F92 AromaticContact CE1-CE1 3.82Å; F34-F92 HydrophobicContact CE1-CE1 3.82Å; F34-F92 AromaticContact CE1-CE2 3.89Å; F34-F92 HydrophobicContact CE1-CE2 3.89Å; F34-F92 AromaticContact CE1-CZ 3.45Å; F34-F92 HydrophobicContact CE1-CZ 3.45Å; F34-F92 VanDerWaalsContact CE1-CZ 3.45Å; F34-F92 HydrophobicContact CG-CE1 4.35Å; F34-F92 HydrophobicContact CG-CZ 4.36Å; F34-F92 HydrophobicContact CZ-CZ 4.34Å; F34-V374 HydrophobicContact CD2-CG1 3.99Å; F34-V374 HydrophobicContact CE2-CG1 4.34Å; F34-I376 HydrophobicContact CB-CD1 4.29Å; F34-I376 HydrophobicContact CB-CG2 4.46Å; F34-I376 HydrophobicContact CD2-CD1 3.45Å; F34-I376 VanDerWaalsContact CD2-CD1 3.45Å; F34-I376 HydrophobicContact CE2-CD1 3.89Å; F34-I376 HydrophobicContact CG-CD1 3.9Å |
| 35 | N | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -79.6 | -30.2 | -178.9 | -156.1 | 27.6 | 0 | 0 | 0 | 112.5 | S32 P33 Y37 T38 A39 F92 N94 T168 T169 | S32-N35 PolarHBondContact O-N 3.14Å; S32-N35 VanDerWaalsContact O-N 3.09Å; S32-N35 PolarHBondContact OG-N 3.01Å; P33-N35 VanDerWaalsContact C-N 3.34Å; P33-N35 PolarHBondContact O-N 2.92Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-T38 VanDerWaalsContact O-CB 3.25Å; N35-T38 WeakPolarHBondContact O-CB 3.46Å; N35-T38 PolarHBondContact O-N 3.4Å; N35-A39 PolarHBondContact O-N 3.39Å; N35-F92 HydrophobicContact CB-CD1 3.83Å; N35-F92 HydrophobicContact CB-CE1 4.24Å; N35-N94 PolarHBondContact OD1-ND2 3.38Å; N35-N94 PolarHBondContact OD1-OD1 2.91Å; N35-T168 PolarHBondContact ND2-O 3.26Å; N35-T169 WeakPolarHBondContact CB-OG1 3.35Å; N35-T169 PolarHBondContact ND2-OG1 3.39Å |
| 36 | V | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 169.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | F10 F14 S32 P33 T38 A39 L40 L286 H322 | F10-V36 HydrophobicContact CE1-CB 4.35Å; F10-V36 HydrophobicContact CE1-CG1 4.19Å; F10-V36 HydrophobicContact CZ-CB 4.46Å; F10-V36 HydrophobicContact CZ-CG1 3.82Å; F14-V36 HydrophobicContact CE1-CB 3.91Å; F14-V36 HydrophobicContact CE1-CG1 3.82Å; F14-V36 HydrophobicContact CE1-CG2 3.79Å; F14-V36 HydrophobicContact CE2-CG1 4.3Å; F14-V36 HydrophobicContact CZ-CB 4.23Å; F14-V36 HydrophobicContact CZ-CG1 3.69Å; F14-V36 HydrophobicContact CZ-CG2 4.05Å; S32-V36 WeakPolarHBondContact O-CG2 3.37Å; S32-V36 PolarHBondContact O-N 3.41Å; P33-V36 PolarHBondContact O-N 3.46Å; V36-T38 PolarHBondContact O-N 3.46Å; V36-A39 PolarHBondContact O-N 3.42Å; V36-A39 VanDerWaalsContact O-N 3.1Å; V36-L40 HydrophobicContact CG1-CD1 4.47Å; V36-L40 HydrophobicContact CG1-CG 4.47Å; V36-L40 WeakPolarHBondContact O-CG 3.33Å; V36-L40 PolarHBondContact O-N 3.09Å; V36-L286 HydrophobicContact CB-CD1 4.22Å; V36-L286 HydrophobicContact CG1-CD1 3.54Å; V36-L286 HydrophobicContact CG2-CD1 3.61Å; V36-H322 HydrophobicContact CG2-CB 4.26Å |
| 37 | Y | 96.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 1% | 0.012 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.8 | -38 | 174.9 | -167.1 | -97 | 0 | 0 | 0 | 111.9 | V3 S6 L7 F10 P33 F34 N35 L40 G41 M59 L61 I74 | V3-Y37 HydrophobicContact CG1-CE1 4.11Å; S6-Y37 WeakPolarHBondContact CB-OH 3.44Å; S6-Y37 PolarHBondContact OG-OH 3.35Å; L7-Y37 HydrophobicContact CB-CD1 4.22Å; L7-Y37 HydrophobicContact CB-CE1 4.17Å; L7-Y37 HydrophobicContact CB-CG 4.44Å; L7-Y37 HydrophobicContact CD1-CD1 4.05Å; L7-Y37 HydrophobicContact CD1-CD2 4.28Å; L7-Y37 HydrophobicContact CD1-CG 3.75Å; F10-Y37 HydrophobicContact CB-CD2 3.84Å; F10-Y37 HydrophobicContact CB-CE2 4Å; F10-Y37 AromaticContact CD1-CD2 3.56Å; F10-Y37 HydrophobicContact CD1-CD2 3.56Å; F10-Y37 HydrophobicContact CD1-CG 4.24Å; F10-Y37 HydrophobicContact CD2-CD2 4.34Å; F10-Y37 HydrophobicContact CE1-CD2 4.2Å; F10-Y37 AromaticContact CG-CD2 3.64Å; F10-Y37 HydrophobicContact CG-CD2 3.64Å; F10-Y37 HydrophobicContact CG-CE2 4.21Å; P33-Y37 VanDerWaalsContact O-CB 3.26Å; P33-Y37 WeakPolarHBondContact O-CB 3.39Å; P33-Y37 PolarHBondContact O-N 2.93Å; F34-Y37 WeakPolarHBondContact O-CB 3.42Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-L40 PolarHBondContact O-N 3.33Å; Y37-G41 PolarHBondContact O-N 3.35Å; Y37-M59 HydrophobicContact CD1-CE 3.91Å; Y37-M59 HydrophobicContact CD2-CE 3.92Å; Y37-M59 HydrophobicContact CD2-CG 4.47Å; Y37-M59 HydrophobicContact CE1-CE 3.61Å; Y37-M59 HydrophobicContact CE2-CB 3.77Å; Y37-M59 HydrophobicContact CE2-CE 3.63Å; Y37-M59 HydrophobicContact CE2-CG 4.13Å; Y37-M59 WeakPolarHBondContact CE2-O 3.44Å; Y37-M59 HydrophobicContact CG-CE 4.05Å; Y37-M59 VanDerWaalsContact CZ-CE 3.45Å; Y37-M59 WeakPolarHBondContact O-CE 3.34Å; Y37-M59 PolarHBondContact OH-O 3.1Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.41Å; Y37-I74 HydrophobicContact CD1-CD1 4.34Å; Y37-I74 HydrophobicContact CD1-CG1 4.34Å; Y37-I74 HydrophobicContact CE1-CD1 3.95Å; Y37-I74 HydrophobicContact CE1-CG1 3.92Å |
| 38 | T | 95.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.012 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.6 | -49.8 | 173.4 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | F34 N35 V36 L40 G41 M42 L78 Y116 | F34-T38 PolarHBondContact O-N 2.91Å; F34-T38 VanDerWaalsContact O-N 3.14Å; F34-T38 PolarHBondContact O-OG1 3.12Å; F34-T38 VanDerWaalsContact O-OG1 3.06Å; N35-T38 VanDerWaalsContact O-CB 3.25Å; N35-T38 WeakPolarHBondContact O-CB 3.46Å; N35-T38 PolarHBondContact O-N 3.4Å; V36-T38 PolarHBondContact O-N 3.46Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 3.19Å; T38-G41 WeakPolarHBondContact O-CA 3.08Å; T38-G41 PolarHBondContact O-N 2.78Å; T38-M42 WeakPolarHBondContact O-CG 3.31Å; T38-M42 PolarHBondContact O-N 3.21Å; T38-L78 HydrophobicContact CG2-CD1 3.54Å; T38-L78 HydrophobicContact CG2-CD2 4.08Å; T38-L78 HydrophobicContact CG2-CG 4.31Å; T38-L78 WeakPolarHBondContact OG1-CD1 3.22Å; T38-Y116 HydrophobicContact CG2-CD1 3.72Å; T38-Y116 HydrophobicContact CG2-CE1 4.37Å |
| 39 | A | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N35 V36 G41 M42 I43 V165 T167 | N35-A39 PolarHBondContact O-N 3.39Å; V36-A39 PolarHBondContact O-N 3.42Å; V36-A39 VanDerWaalsContact O-N 3.1Å; A39-G41 PolarHBondContact O-N 3.05Å; A39-M42 HydrophobicContact CB-SD 4.49Å; A39-M42 WeakPolarHBondContact O-CB 3.48Å; A39-M42 PolarHBondContact O-N 3.43Å; A39-M42 VanDerWaalsContact O-N 3.1Å; A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 3.27Å; A39-I43 PolarHBondContact O-N 2.74Å; A39-V165 HydrophobicContact CB-CG1 3.79Å; A39-T167 HydrophobicContact CB-CG2 3.22Å |
| 40 | L | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61 | -36.8 | 173 | -65 | 178.7 | 0 | 0 | 0 | 111 | F10 V36 Y37 T38 I43 L44 V58 M59 L290 M295 | F10-L40 HydrophobicContact CD2-CD1 4.47Å; F10-L40 HydrophobicContact CE2-CD1 3.61Å; F10-L40 HydrophobicContact CZ-CD1 3.68Å; V36-L40 HydrophobicContact CG1-CD1 4.47Å; V36-L40 HydrophobicContact CG1-CG 4.47Å; V36-L40 WeakPolarHBondContact O-CG 3.33Å; V36-L40 PolarHBondContact O-N 3.09Å; Y37-L40 PolarHBondContact O-N 3.33Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 3.19Å; L40-I43 HydrophobicContact CD2-CD1 4.48Å; L40-I43 PolarHBondContact O-N 2.83Å; L40-L44 VanDerWaalsContact O-CB 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.34Å; L40-L44 PolarHBondContact O-N 3.26Å; L40-V58 HydrophobicContact CD1-CG1 4.18Å; L40-M59 HydrophobicContact CB-CE 3.97Å; L40-M59 HydrophobicContact CB-CG 3.72Å; L40-M59 HydrophobicContact CB-SD 3.53Å; L40-M59 VanDerWaalsContact CB-SD 3.53Å; L40-M59 HydrophobicContact CD1-CG 3.84Å; L40-M59 HydrophobicContact CG-CG 4.43Å; L40-L290 HydrophobicContact CD1-CD2 4.21Å; L40-L290 HydrophobicContact CD2-CD1 4.07Å; L40-L290 HydrophobicContact CD2-CD2 4.12Å; L40-M295 HydrophobicContact CD2-CE 4.42Å; L40-M295 HydrophobicContact CD2-SD 3.87Å |
| 41 | G | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y37 T38 A39 L44 S45 Y116 | Y37-G41 PolarHBondContact O-N 3.35Å; T38-G41 WeakPolarHBondContact O-CA 3.08Å; T38-G41 PolarHBondContact O-N 2.78Å; A39-G41 PolarHBondContact O-N 3.05Å; G41-L44 WeakPolarHBondContact O-CB 3.15Å; G41-L44 PolarHBondContact O-N 2.95Å; G41-S45 PolarHBondContact O-N 3.36Å; G41-Y116 VanDerWaalsContact C-CZ 3.47Å; G41-Y116 VanDerWaalsContact CA-OH 3.32Å; G41-Y116 WeakPolarHBondContact CA-OH 3.49Å; G41-Y116 PolarHBondContact O-OH 3.25Å |
| 42 | M | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.2 | -62.8 | 167.1 | 50 | 0 | 0 | 111 | T38 A39 S45 N94 Y108 L112 Y116 A118 V165 | T38-M42 WeakPolarHBondContact O-CG 3.31Å; T38-M42 PolarHBondContact O-N 3.21Å; A39-M42 HydrophobicContact CB-SD 4.49Å; A39-M42 WeakPolarHBondContact O-CB 3.48Å; A39-M42 PolarHBondContact O-N 3.43Å; A39-M42 VanDerWaalsContact O-N 3.1Å; M42-S45 PolarHBondContact O-N 2.97Å; M42-S45 PolarHBondContact O-OG 3.13Å; M42-N94 HydrophobicContact CE-CB 4.38Å; M42-N94 HydrophobicContact SD-CB 3.74Å; M42-Y108 PolarHBondContact O-OH 3.27Å; M42-L112 HydrophobicContact CB-CD2 3.55Å; M42-L112 HydrophobicContact CE-CD1 4.22Å; M42-L112 HydrophobicContact CE-CD2 4.38Å; M42-L112 HydrophobicContact CG-CD2 3.78Å; M42-Y116 HydrophobicContact CB-CD2 4.4Å; M42-Y116 HydrophobicContact CG-CD1 4.07Å; M42-Y116 HydrophobicContact CG-CD2 3.64Å; M42-Y116 HydrophobicContact CG-CE2 4.16Å; M42-Y116 HydrophobicContact CG-CG 3.56Å; M42-A118 HydrophobicContact CE-CB 3.57Å; M42-A118 HydrophobicContact SD-CB 3.86Å; M42-V165 HydrophobicContact CE-CG1 4.47Å |
| 43 | I | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 179.1 | -61.7 | 165.5 | 0 | 0 | 0 | 110.4 | A39 L40 S45 G46 S47 I55 V165 M295 F306 I317 I320 | A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 3.27Å; A39-I43 PolarHBondContact O-N 2.74Å; L40-I43 HydrophobicContact CD2-CD1 4.48Å; L40-I43 PolarHBondContact O-N 2.83Å; I43-S45 VanDerWaalsContact C-N 3.25Å; I43-S45 PolarHBondContact O-N 3.34Å; I43-G46 PolarHBondContact O-N 3.14Å; I43-S47 PolarHBondContact O-N 2.95Å; I43-I55 HydrophobicContact CG2-CD1 3.65Å; I43-V165 HydrophobicContact CD1-CB 4.5Å; I43-V165 HydrophobicContact CD1-CG1 4.48Å; I43-V165 HydrophobicContact CD1-CG2 4.02Å; I43-V165 HydrophobicContact CG1-CG2 3.94Å; I43-M295 HydrophobicContact CD1-CE 4.21Å; I43-M295 HydrophobicContact CG2-CE 3.99Å; I43-F306 HydrophobicContact CG2-CE1 3.66Å; I43-F306 HydrophobicContact CG2-CZ 4.1Å; I43-I317 HydrophobicContact CB-CD1 4.2Å; I43-I317 HydrophobicContact CD1-CD1 3.68Å; I43-I317 HydrophobicContact CG1-CD1 3.64Å; I43-I317 HydrophobicContact CG2-CD1 3.46Å; I43-I317 VanDerWaalsContact CG2-CD1 3.46Å; I43-I320 HydrophobicContact CD1-CD1 3.37Å; I43-I320 HydrophobicContact CD1-CG1 4.04Å |
| 44 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.3 | -45.1 | 177.3 | 180 | 65.4 | 0 | 0 | 0 | 111.1 | L40 G41 G46 S47 K52 I55 M56 M59 L61 I70 | L40-L44 VanDerWaalsContact O-CB 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.34Å; L40-L44 PolarHBondContact O-N 3.26Å; G41-L44 WeakPolarHBondContact O-CB 3.15Å; G41-L44 PolarHBondContact O-N 2.95Å; L44-G46 PolarHBondContact O-N 2.71Å; L44-G46 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact CA-OG 3.22Å; L44-S47 PolarHBondContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.86Å; L44-K52 HydrophobicContact CD1-CG 3.74Å; L44-I55 HydrophobicContact CB-CG2 3.88Å; L44-I55 HydrophobicContact CD1-CB 4.18Å; L44-I55 HydrophobicContact CD1-CG2 4.01Å; L44-I55 HydrophobicContact CG-CG2 4.47Å; L44-M56 HydrophobicContact CD1-CG 3.57Å; L44-M56 HydrophobicContact CD1-SD 4.48Å; L44-M56 HydrophobicContact CD2-CG 4.32Å; L44-M59 HydrophobicContact CD2-SD 4.27Å; L44-L61 HydrophobicContact CD2-CD1 3.92Å; L44-I70 HydrophobicContact CD2-CD1 4.38Å; L44-I70 HydrophobicContact CD2-CG2 4.06Å |
| 45 | S | 95.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -23.6 | -178.2 | 70.6 | 0 | 0 | 0 | 0 | 114 | G41 M42 I43 H71 Y108 | G41-S45 PolarHBondContact O-N 3.36Å; M42-S45 PolarHBondContact O-N 2.97Å; M42-S45 PolarHBondContact O-OG 3.13Å; I43-S45 VanDerWaalsContact C-N 3.25Å; I43-S45 PolarHBondContact O-N 3.34Å; S45-H71 WeakPolarHBondContact CB-CE1 3.28Å; S45-H71 WeakPolarHBondContact CB-NE2 3.43Å; S45-Y108 WeakPolarHBondContact OG-CE2 3.39Å |
| 46 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -100.3 | -6.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I43 L44 Y108 F306 N308 M309 | I43-G46 PolarHBondContact O-N 3.14Å; L44-G46 PolarHBondContact O-N 2.71Å; L44-G46 VanDerWaalsContact O-N 3.11Å; G46-Y108 VanDerWaalsContact N-CE2 3.33Å; G46-F306 CarbonylContact O-C 3.56Å; G46-F306 VanDerWaalsContact O-CA 3.22Å; G46-F306 WeakPolarHBondContact O-CA 3.47Å; G46-N308 PolarHBondContact O-N 2.88Å; G46-M309 PolarHBondContact O-N 2.86Å |
| 47 | S | 95.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -95.9 | 152.9 | -173 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | I43 L44 K52 N305 | I43-S47 PolarHBondContact O-N 2.95Å; L44-S47 WeakPolarHBondContact CA-OG 3.22Å; L44-S47 PolarHBondContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.86Å; S47-K52 WeakPolarHBondContact OG-CA 3.49Å; S47-K52 WeakPolarHBondContact OG-CB 2.96Å; S47-N305 WeakPolarHBondContact CA-O 3.38Å | ||
| 48 | E | 93.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 27.2 Ų | 27.2 | 28% | 0.28 | 14% | 0.138 | S | C | . | . | trans | -136.4 | 169 | 173.6 | -82.3 | -60.4 | 160.1 | 0 | 0 | 112.3 | T51 K52 N305 N308 | E48-T51 PolarHBondContact O-N 2.85Å; E48-K52 PolarHBondContact O-N 2.87Å; E48-N305 WeakPolarHBondContact CB-ND2 3.49Å; E48-N305 PolarHBondContact N-O 2.83Å; E48-N308 WeakPolarHBondContact CG-ND2 3.5Å; E48-N308 PolarHBondContact OE1-ND2 2.9Å | ||
| 49 | M | 93.8 | Very high | 95.7 | Very high | 146 Ų | 146 | 27.1 Ų | 27.1 | 72% | 0.719 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | 52.9 | -135.2 | 174.9 | -58.7 | -160.9 | -105.3 | 0 | 0 | 114.1 | K52 A53 N305 | M49-K52 WeakPolarHBondContact O-CB 3.43Å; M49-K52 PolarHBondContact O-N 2.81Å; M49-A53 PolarHBondContact O-N 3.38Å; M49-A53 VanDerWaalsContact O-N 3.11Å; M49-N305 WeakPolarHBondContact CE-ND2 3.17Å; M49-N305 WeakPolarHBondContact CG-ND2 3.29Å |
| 50 | N | 95.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 29.9 Ų | 29.9 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68.2 | -36 | -174.6 | -174.4 | 58.1 | 0 | 0 | 0 | 111.9 | K52 A53 E54 E297 | N50-K52 VanDerWaalsContact C-N 3.26Å; N50-K52 PolarHBondContact O-N 2.72Å; N50-A53 WeakPolarHBondContact O-CB 3.48Å; N50-A53 PolarHBondContact O-N 2.68Å; N50-E54 PolarHBondContact ND2-OE1 2.69Å; N50-E54 WeakPolarHBondContact O-CG 3.3Å; N50-E54 PolarHBondContact O-N 2.8Å; N50-E297 WeakPolarHBondContact CB-OE1 3.49Å; N50-E297 WeakPolarHBondContact CB-OE2 3.25Å; N50-E297 PolarHBondContact ND2-OE1 3.49Å |
| 51 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51.8 | -46.9 | 171.3 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | E48 E54 I55 E297 A298 N305 F306 | E48-T51 PolarHBondContact O-N 2.85Å; T51-E54 PolarHBondContact O-N 2.82Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 WeakPolarHBondContact O-CD1 3.48Å; T51-I55 VanDerWaalsContact O-CG1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.39Å; T51-I55 PolarHBondContact O-N 2.89Å; T51-I55 VanDerWaalsContact O-N 3.16Å; T51-E297 PolarHBondContact N-OE2 3.18Å; T51-E297 WeakPolarHBondContact OG1-CB 3.47Å; T51-E297 PolarHBondContact OG1-OE2 3.32Å; T51-A298 HydrophobicContact CG2-CB 4.06Å; T51-N305 PolarHBondContact OG1-N 3.5Å; T51-F306 HydrophobicContact CG2-CE1 4Å; T51-F306 HydrophobicContact CG2-CZ 4.07Å |
| 52 | K | 95.2 | Very high | 94.6 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.8 | -179.5 | 177.4 | -174 | 164.6 | 0 | 112.6 | L44 S47 E48 M49 N50 E54 I55 M56 | L44-K52 HydrophobicContact CD1-CG 3.74Å; S47-K52 WeakPolarHBondContact OG-CA 3.49Å; S47-K52 WeakPolarHBondContact OG-CB 2.96Å; E48-K52 PolarHBondContact O-N 2.87Å; M49-K52 WeakPolarHBondContact O-CB 3.43Å; M49-K52 PolarHBondContact O-N 2.81Å; N50-K52 VanDerWaalsContact C-N 3.26Å; N50-K52 PolarHBondContact O-N 2.72Å; K52-E54 VanDerWaalsContact C-N 3.32Å; K52-E54 PolarHBondContact O-N 3.17Å; K52-I55 PolarHBondContact O-N 3.37Å; K52-M56 HydrophobicContact CG-SD 4.29Å; K52-M56 WeakPolarHBondContact O-CG 3.25Å; K52-M56 PolarHBondContact O-N 3.14Å |
| 53 | A | 95 | Very high | 93.6 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -39.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M49 N50 M56 K57 | M49-A53 PolarHBondContact O-N 3.38Å; M49-A53 VanDerWaalsContact O-N 3.11Å; N50-A53 WeakPolarHBondContact O-CB 3.48Å; N50-A53 PolarHBondContact O-N 2.68Å; A53-M56 PolarHBondContact O-N 2.94Å; A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.49Å |
| 54 | E | 96.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 44 Ų | 44 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 175.8 | -71.4 | -178.7 | 174.7 | 0 | 0 | 111.8 | N50 T51 K52 K57 V58 G294 K296 E297 | N50-E54 PolarHBondContact ND2-OE1 2.69Å; N50-E54 WeakPolarHBondContact O-CG 3.3Å; N50-E54 PolarHBondContact O-N 2.8Å; T51-E54 PolarHBondContact O-N 2.82Å; K52-E54 VanDerWaalsContact C-N 3.32Å; K52-E54 PolarHBondContact O-N 3.17Å; E54-K57 WeakPolarHBondContact O-CB 3.47Å; E54-K57 PolarHBondContact O-N 3Å; E54-V58 WeakPolarHBondContact O-CG2 3.21Å; E54-V58 PolarHBondContact O-N 3.17Å; E54-G294 WeakPolarHBondContact CG-O 3.46Å; E54-K296 PolarHBondContact OE2-N 2.99Å; E54-E297 PolarHBondContact OE2-N 2.88Å |
| 55 | I | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.7 | -63.4 | 157.2 | 0 | 0 | 0 | 110.6 | I43 L44 T51 K52 K57 V58 M59 M295 | I43-I55 HydrophobicContact CG2-CD1 3.65Å; L44-I55 HydrophobicContact CB-CG2 3.88Å; L44-I55 HydrophobicContact CD1-CB 4.18Å; L44-I55 HydrophobicContact CD1-CG2 4.01Å; L44-I55 HydrophobicContact CG-CG2 4.47Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 WeakPolarHBondContact O-CD1 3.48Å; T51-I55 VanDerWaalsContact O-CG1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.39Å; T51-I55 PolarHBondContact O-N 2.89Å; T51-I55 VanDerWaalsContact O-N 3.16Å; K52-I55 PolarHBondContact O-N 3.37Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 2.91Å; I55-V58 PolarHBondContact O-N 2.91Å; I55-M59 HydrophobicContact CG2-CG 4.26Å; I55-M59 HydrophobicContact CG2-SD 3.78Å; I55-M59 WeakPolarHBondContact O-CB 3.45Å; I55-M59 VanDerWaalsContact O-CG 3.3Å; I55-M59 WeakPolarHBondContact O-CG 3.37Å; I55-M59 PolarHBondContact O-N 3.27Å; I55-M295 HydrophobicContact CD1-CE 4.16Å; I55-M295 HydrophobicContact CG1-CE 3.71Å; I55-M295 HydrophobicContact CG1-CG 4.1Å; I55-M295 HydrophobicContact CG1-SD 3.79Å |
| 56 | M | 94.5 | Very high | 90.6 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 177.6 | -71 | -174.3 | 69.2 | 0 | 0 | 112.2 | L44 K52 A53 M59 H60 L61 S62 I70 | L44-M56 HydrophobicContact CD1-CG 3.57Å; L44-M56 HydrophobicContact CD1-SD 4.48Å; L44-M56 HydrophobicContact CD2-CG 4.32Å; K52-M56 HydrophobicContact CG-SD 4.29Å; K52-M56 WeakPolarHBondContact O-CG 3.25Å; K52-M56 PolarHBondContact O-N 3.14Å; A53-M56 PolarHBondContact O-N 2.94Å; M56-M59 PolarHBondContact O-N 2.94Å; M56-H60 PolarHBondContact O-N 2.98Å; M56-L61 HydrophobicContact CB-CB 4.36Å; M56-L61 HydrophobicContact CE-CB 4.22Å; M56-L61 PolarHBondContact O-N 3.36Å; M56-S62 WeakPolarHBondContact CE-O 3.34Å; M56-I70 HydrophobicContact CE-CD1 4.22Å |
| 57 | K | 94 | Very high | 90 | Very high | 142 Ų | 142 | 55.8 Ų | 55.8 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.4 | -49.2 | 176.1 | -179 | -172.4 | 174.2 | -168.1 | 0 | 111.4 | A53 E54 I55 M59 H60 | A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.49Å; E54-K57 WeakPolarHBondContact O-CB 3.47Å; E54-K57 PolarHBondContact O-N 3Å; I55-K57 VanDerWaalsContact C-N 3.28Å; I55-K57 PolarHBondContact O-N 2.91Å; K57-M59 VanDerWaalsContact C-N 3.3Å; K57-M59 PolarHBondContact O-N 3.42Å; K57-H60 PolarHBondContact O-N 3.15Å; K57-H60 VanDerWaalsContact O-N 3.08Å |
| 58 | V | 95.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | F10 L40 E54 I55 H60 L290 M293 M295 | F10-V58 WeakPolarHBondContact CD2-O 3.47Å; F10-V58 HydrophobicContact CE2-CG1 4.16Å; L40-V58 HydrophobicContact CD1-CG1 4.18Å; E54-V58 WeakPolarHBondContact O-CG2 3.21Å; E54-V58 PolarHBondContact O-N 3.17Å; I55-V58 PolarHBondContact O-N 2.91Å; V58-H60 PolarHBondContact O-CD2 3.4Å; V58-H60 VanDerWaalsContact O-CD2 3.3Å; V58-H60 PolarHBondContact O-N 3.07Å; V58-L290 HydrophobicContact CG1-CD2 3.87Å; V58-M293 HydrophobicContact CG1-CB 4.18Å; V58-M293 HydrophobicContact CG1-CE 4.05Å; V58-M293 HydrophobicContact CG1-SD 4.11Å; V58-M293 HydrophobicContact CG2-CB 3.82Å; V58-M295 HydrophobicContact CG2-CB 3.81Å |
| 59 | M | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 1.2 | 177 | -66.6 | -177.4 | 78.3 | 0 | 0 | 114.2 | S6 Y37 L40 L44 I55 M56 K57 L61 I74 | S6-M59 WeakPolarHBondContact CB-O 3.41Å; Y37-M59 HydrophobicContact CD1-CE 3.91Å; Y37-M59 HydrophobicContact CD2-CE 3.92Å; Y37-M59 HydrophobicContact CD2-CG 4.47Å; Y37-M59 HydrophobicContact CE1-CE 3.61Å; Y37-M59 HydrophobicContact CE2-CB 3.77Å; Y37-M59 HydrophobicContact CE2-CE 3.63Å; Y37-M59 HydrophobicContact CE2-CG 4.13Å; Y37-M59 WeakPolarHBondContact CE2-O 3.44Å; Y37-M59 HydrophobicContact CG-CE 4.05Å; Y37-M59 VanDerWaalsContact CZ-CE 3.45Å; Y37-M59 WeakPolarHBondContact O-CE 3.34Å; Y37-M59 PolarHBondContact OH-O 3.1Å; L40-M59 HydrophobicContact CB-CE 3.97Å; L40-M59 HydrophobicContact CB-CG 3.72Å; L40-M59 HydrophobicContact CB-SD 3.53Å; L40-M59 VanDerWaalsContact CB-SD 3.53Å; L40-M59 HydrophobicContact CD1-CG 3.84Å; L40-M59 HydrophobicContact CG-CG 4.43Å; L44-M59 HydrophobicContact CD2-SD 4.27Å; I55-M59 HydrophobicContact CG2-CG 4.26Å; I55-M59 HydrophobicContact CG2-SD 3.78Å; I55-M59 WeakPolarHBondContact O-CB 3.45Å; I55-M59 VanDerWaalsContact O-CG 3.3Å; I55-M59 WeakPolarHBondContact O-CG 3.37Å; I55-M59 PolarHBondContact O-N 3.27Å; M56-M59 PolarHBondContact O-N 2.94Å; K57-M59 VanDerWaalsContact C-N 3.3Å; K57-M59 PolarHBondContact O-N 3.42Å; M59-L61 HydrophobicContact CB-CD1 3.72Å; M59-L61 HydrophobicContact CB-CG 3.86Å; M59-L61 HydrophobicContact CE-CD1 3.96Å; M59-L61 HydrophobicContact CG-CD1 4.42Å; M59-L61 PolarHBondContact O-N 3.04Å; M59-L61 VanDerWaalsContact O-N 3.13Å; M59-L61 HydrophobicContact SD-CD1 3.83Å; M59-I74 HydrophobicContact CE-CD1 3.99Å |
| 60 | H | 92.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 30.5 | -174.1 | -62 | -81.6 | 0 | 0 | 0 | 114 | S6 N9 R13 M56 K57 V58 | S6-H60 WeakPolarHBondContact CB-O 3.21Å; N9-H60 HydrophobicContact CB-CB 4.45Å; R13-H60 WeakPolarHBondContact CD-NE2 3.32Å; M56-H60 PolarHBondContact O-N 2.98Å; K57-H60 PolarHBondContact O-N 3.15Å; K57-H60 VanDerWaalsContact O-N 3.08Å; V58-H60 PolarHBondContact O-CD2 3.4Å; V58-H60 VanDerWaalsContact O-CD2 3.3Å; V58-H60 PolarHBondContact O-N 3.07Å |
| 61 | L | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | trans | -81.9 | 144.9 | 178.1 | -73.2 | 166.8 | 0 | 0 | 0 | 110.4 | Y37 L44 M56 M59 L65 I70 | Y37-L61 WeakPolarHBondContact OH-CD2 3.41Å; L44-L61 HydrophobicContact CD2-CD1 3.92Å; M56-L61 HydrophobicContact CB-CB 4.36Å; M56-L61 HydrophobicContact CE-CB 4.22Å; M56-L61 PolarHBondContact O-N 3.36Å; M59-L61 HydrophobicContact CB-CD1 3.72Å; M59-L61 HydrophobicContact CB-CG 3.86Å; M59-L61 HydrophobicContact CE-CD1 3.96Å; M59-L61 HydrophobicContact CG-CD1 4.42Å; M59-L61 PolarHBondContact O-N 3.04Å; M59-L61 VanDerWaalsContact O-N 3.13Å; M59-L61 HydrophobicContact SD-CD1 3.83Å; L61-L65 HydrophobicContact CD2-CD1 3.8Å; L61-I70 HydrophobicContact CD1-CD1 4.27Å; L61-I70 HydrophobicContact CD1-CG2 3.78Å; L61-I70 HydrophobicContact CD2-CG1 4.42Å; L61-I70 HydrophobicContact CD2-CG2 4.24Å | ||
| 62 | S | 82.6 | Confident | 89.3 | Confident | 39 Ų | 39 | 58 Ų | 58 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -80.2 | 135.6 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | M56 C64 L65 | M56-S62 WeakPolarHBondContact CE-O 3.34Å; S62-C64 PolarHBondContact O-N 2.99Å; S62-C64 PolarHBondContact OG-N 2.95Å; S62-L65 WeakPolarHBondContact O-CB 3.48Å; S62-L65 PolarHBondContact O-N 3.44Å | ||
| 63 | N | 75.6 | Confident | 89.3 | Confident | 132 Ų | 132 | 57 Ų | 57 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.8 | 173.6 | -65.5 | -3 | 0 | 0 | 0 | 113.7 | ||
| 64 | C | 71.5 | Confident | 89.3 | Confident | 118 Ų | 118 | 55.1 Ų | 55.1 | 80% | 0.797 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | S62 | S62-C64 PolarHBondContact O-N 2.99Å; S62-C64 PolarHBondContact OG-N 2.95Å |
| 65 | L | 75.5 | Confident | 89.3 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -74.9 | 130.1 | 177.8 | -70.7 | 171.6 | 0 | 0 | 0 | 110 | M1 L61 S62 I70 | M1-L65 WeakPolarHBondContact O-CD1 3.42Å; L61-L65 HydrophobicContact CD2-CD1 3.8Å; S62-L65 WeakPolarHBondContact O-CB 3.48Å; S62-L65 PolarHBondContact O-N 3.44Å; L65-I70 HydrophobicContact CB-CD1 3.97Å; L65-I70 HydrophobicContact CB-CG1 3.82Å; L65-I70 HydrophobicContact CD1-CG1 4.1Å |
| 66 | E | 80.3 | Confident | 89.3 | Confident | 151 Ų | 151 | 56.8 Ų | 56.8 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | trans | -63.2 | 137.8 | 170.7 | -65.8 | -174.4 | 175.3 | 0 | 0 | 110.3 | H68 A69 I70 | E66-H68 VanDerWaalsContact C-N 3.27Å; E66-H68 PolarHBondContact O-N 2.81Å; E66-A69 HydrophobicContact CB-CB 4.29Å; E66-A69 WeakPolarHBondContact O-CB 3.48Å; E66-A69 PolarHBondContact O-N 3.19Å; E66-I70 PolarHBondContact O-N 3.36Å | ||
| 67 | H | 82.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.3 | -43.2 | -174.9 | -163.4 | -133.4 | 0 | 0 | 0 | 112.4 | A69 I70 H71 | H67-A69 VanDerWaalsContact C-N 3.35Å; H67-A69 PolarHBondContact O-N 3.37Å; H67-I70 WeakPolarHBondContact O-CB 3.5Å; H67-I70 PolarHBondContact O-N 3Å; H67-H71 AromaticContact CD2-NE2 3.46Å; H67-H71 PolarHBondContact CD2-NE2 2.57Å; H67-H71 AromaticContact CE1-NE2 3.12Å; H67-H71 PolarHBondContact CE1-NE2 3.15Å; H67-H71 AromaticContact CG-NE2 3.63Å; H67-H71 AromaticContact ND1-NE2 3.42Å; H67-H71 PolarHBondContact ND1-NE2 3.12Å; H67-H71 AromaticContact NE2-CE1 3.8Å; H67-H71 AromaticContact NE2-NE2 3.19Å; H67-H71 PolarHBondContact NE2-NE2 2.96Å; H67-H71 VanDerWaalsContact NE2-NE2 3.19Å; H67-H71 PolarHBondContact O-CD2 3.36Å; H67-H71 PolarHBondContact O-N 3.16Å |
| 68 | H | 87.1 | Confident | 89.3 | Confident | 113 Ų | 113 | 51.1 Ų | 51.1 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.6 | -179.6 | 75.1 | 0 | 0 | 0 | 112.7 | E66 I70 H71 Y72 Y115 | E66-H68 VanDerWaalsContact C-N 3.27Å; E66-H68 PolarHBondContact O-N 2.81Å; H68-I70 VanDerWaalsContact C-N 3.27Å; H68-I70 PolarHBondContact O-N 3.28Å; H68-H71 PolarHBondContact O-N 3.22Å; H68-Y72 VanDerWaalsContact O-CB 3.3Å; H68-Y72 WeakPolarHBondContact O-CB 3.33Å; H68-Y72 PolarHBondContact O-N 3.24Å; H68-Y115 PolarHBondContact CE1-OH 3.25Å; H68-Y115 PolarHBondContact ND1-OH 2.83Å |
| 69 | A | 91.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -31.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E66 H67 G73 | E66-A69 HydrophobicContact CB-CB 4.29Å; E66-A69 WeakPolarHBondContact O-CB 3.48Å; E66-A69 PolarHBondContact O-N 3.19Å; H67-A69 VanDerWaalsContact C-N 3.35Å; H67-A69 PolarHBondContact O-N 3.37Å; A69-G73 PolarHBondContact O-N 3.24Å |
| 70 | I | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -55 | 174.9 | -60.9 | 166.6 | 0 | 0 | 0 | 109.9 | L44 M56 L61 L65 E66 H67 H68 Y72 G73 I74 | L44-I70 HydrophobicContact CD2-CD1 4.38Å; L44-I70 HydrophobicContact CD2-CG2 4.06Å; M56-I70 HydrophobicContact CE-CD1 4.22Å; L61-I70 HydrophobicContact CD1-CD1 4.27Å; L61-I70 HydrophobicContact CD1-CG2 3.78Å; L61-I70 HydrophobicContact CD2-CG1 4.42Å; L61-I70 HydrophobicContact CD2-CG2 4.24Å; L65-I70 HydrophobicContact CB-CD1 3.97Å; L65-I70 HydrophobicContact CB-CG1 3.82Å; L65-I70 HydrophobicContact CD1-CG1 4.1Å; E66-I70 PolarHBondContact O-N 3.36Å; H67-I70 WeakPolarHBondContact O-CB 3.5Å; H67-I70 PolarHBondContact O-N 3Å; H68-I70 VanDerWaalsContact C-N 3.27Å; H68-I70 PolarHBondContact O-N 3.28Å; I70-Y72 PolarHBondContact O-N 3.27Å; I70-G73 PolarHBondContact O-N 3.32Å; I70-I74 HydrophobicContact CG2-CD1 3.93Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 3.16Å |
| 71 | H | 94.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.032 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | -177.7 | -56.3 | -50.8 | 0 | 0 | 0 | 112.1 | S45 H67 H68 I74 S75 Y115 Y116 | S45-H71 WeakPolarHBondContact CB-CE1 3.28Å; S45-H71 WeakPolarHBondContact CB-NE2 3.43Å; H67-H71 AromaticContact CD2-NE2 3.46Å; H67-H71 PolarHBondContact CD2-NE2 2.57Å; H67-H71 AromaticContact CE1-NE2 3.12Å; H67-H71 PolarHBondContact CE1-NE2 3.15Å; H67-H71 AromaticContact CG-NE2 3.63Å; H67-H71 AromaticContact ND1-NE2 3.42Å; H67-H71 PolarHBondContact ND1-NE2 3.12Å; H67-H71 AromaticContact NE2-CE1 3.8Å; H67-H71 AromaticContact NE2-NE2 3.19Å; H67-H71 PolarHBondContact NE2-NE2 2.96Å; H67-H71 VanDerWaalsContact NE2-NE2 3.19Å; H67-H71 PolarHBondContact O-CD2 3.36Å; H67-H71 PolarHBondContact O-N 3.16Å; H68-H71 PolarHBondContact O-N 3.22Å; H71-I74 PolarHBondContact O-N 3.38Å; H71-S75 VanDerWaalsContact O-CB 3.28Å; H71-S75 WeakPolarHBondContact O-CB 3.31Å; H71-S75 PolarHBondContact O-N 3.2Å; H71-Y115 HydrophobicContact CB-CD1 4.08Å; H71-Y115 HydrophobicContact CB-CD2 4.05Å; H71-Y115 HydrophobicContact CB-CE1 4.41Å; H71-Y115 HydrophobicContact CB-CE2 4.4Å; H71-Y115 HydrophobicContact CB-CG 3.89Å; H71-Y116 AromaticContact ND1-CZ 3.74Å; H71-Y116 PolarHBondContact ND1-OH 2.89Å |
| 72 | Y | 94.4 | Very high | 89.4 | Confident | 158 Ų | 158 | 59.7 Ų | 59.7 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 174.8 | -173.6 | -93.7 | 0 | 0 | 0 | 111.9 | H68 I70 S75 G76 Y115 | H68-Y72 VanDerWaalsContact O-CB 3.3Å; H68-Y72 WeakPolarHBondContact O-CB 3.33Å; H68-Y72 PolarHBondContact O-N 3.24Å; I70-Y72 PolarHBondContact O-N 3.27Å; Y72-S75 PolarHBondContact O-N 3.27Å; Y72-G76 PolarHBondContact O-N 2.82Å; Y72-Y115 HydrophobicContact CD2-CE1 4.37Å |
| 73 | G | 94.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A69 I70 G76 L77 | A69-G73 PolarHBondContact O-N 3.24Å; I70-G73 PolarHBondContact O-N 3.32Å; G73-G76 PolarHBondContact O-N 3.49Å; G73-L77 WeakPolarHBondContact O-CG 3.22Å; G73-L77 PolarHBondContact O-N 3.11Å; G73-L77 VanDerWaalsContact O-N 3.15Å |
| 74 | I | 95.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.2 | -62.3 | 168.3 | 0 | 0 | 0 | 110 | V3 Y37 M59 I70 H71 G76 L77 L78 Y116 | V3-I74 HydrophobicContact CG1-CB 4.46Å; V3-I74 HydrophobicContact CG1-CG1 3.52Å; Y37-I74 HydrophobicContact CD1-CD1 4.34Å; Y37-I74 HydrophobicContact CD1-CG1 4.34Å; Y37-I74 HydrophobicContact CE1-CD1 3.95Å; Y37-I74 HydrophobicContact CE1-CG1 3.92Å; M59-I74 HydrophobicContact CE-CD1 3.99Å; I70-I74 HydrophobicContact CG2-CD1 3.93Å; I70-I74 WeakPolarHBondContact O-CG1 3.48Å; I70-I74 PolarHBondContact O-N 3.16Å; H71-I74 PolarHBondContact O-N 3.38Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 3.02Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 PolarHBondContact O-N 3.43Å; I74-L77 VanDerWaalsContact O-N 3.12Å; I74-L78 HydrophobicContact CG2-CD1 3.66Å; I74-L78 WeakPolarHBondContact O-CD1 3.45Å; I74-L78 PolarHBondContact O-N 2.96Å; I74-Y116 HydrophobicContact CB-CE1 4.01Å; I74-Y116 HydrophobicContact CD1-CE1 4.34Å; I74-Y116 HydrophobicContact CG2-CD1 4.17Å; I74-Y116 HydrophobicContact CG2-CE1 3.58Å |
| 75 | S | 96.1 | Very high | 91.4 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | H71 Y72 L77 L78 F79 Y115 | H71-S75 VanDerWaalsContact O-CB 3.28Å; H71-S75 WeakPolarHBondContact O-CB 3.31Å; H71-S75 PolarHBondContact O-N 3.2Å; Y72-S75 PolarHBondContact O-N 3.27Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-L77 PolarHBondContact O-N 3.49Å; S75-L78 PolarHBondContact O-N 2.85Å; S75-F79 WeakPolarHBondContact O-CB 3.5Å; S75-F79 PolarHBondContact O-N 3.06Å; S75-Y115 VanDerWaalsContact CA-O 3.27Å; S75-Y115 WeakPolarHBondContact CA-O 3.49Å; S75-Y115 WeakPolarHBondContact CB-O 3.45Å; S75-Y115 WeakPolarHBondContact OG-CA 3.38Å; S75-Y115 PolarHBondContact OG-O 2.88Å |
| 76 | G | 95.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 66.2 Ų | 66.2 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y72 G73 I74 D80 | Y72-G76 PolarHBondContact O-N 2.82Å; G73-G76 PolarHBondContact O-N 3.49Å; I74-G76 VanDerWaalsContact C-N 3.32Å; I74-G76 PolarHBondContact O-N 3.02Å; G76-D80 VanDerWaalsContact O-CB 3.22Å; G76-D80 WeakPolarHBondContact O-CB 3.22Å; G76-D80 PolarHBondContact O-N 3.05Å |
| 77 | L | 95.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.9 | -65.5 | 171.3 | 0 | 0 | 0 | 112 | V3 L4 L7 F34 G73 I74 S75 C81 W370 | V3-L77 HydrophobicContact CG1-CD1 3.85Å; L4-L77 HydrophobicContact CD1-CD2 4Å; L7-L77 HydrophobicContact CD2-CD1 4.03Å; F34-L77 HydrophobicContact CE2-CB 4.26Å; F34-L77 HydrophobicContact CZ-CB 4.02Å; G73-L77 WeakPolarHBondContact O-CG 3.22Å; G73-L77 PolarHBondContact O-N 3.11Å; G73-L77 VanDerWaalsContact O-N 3.15Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 PolarHBondContact O-N 3.43Å; I74-L77 VanDerWaalsContact O-N 3.12Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-L77 PolarHBondContact O-N 3.49Å; L77-C81 WeakPolarHBondContact O-CB 3.37Å; L77-C81 PolarHBondContact O-N 2.97Å; L77-W370 HydrophobicContact CD2-CH2 4.28Å; L77-W370 HydrophobicContact CD2-CZ3 3.99Å |
| 78 | L | 94.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 175.9 | -91.7 | 132.6 | 0 | 0 | 0 | 111.7 | F34 T38 I74 S75 C81 S82 F92 Y116 | F34-L78 HydrophobicContact CE1-CG 4.13Å; T38-L78 HydrophobicContact CG2-CD1 3.54Å; T38-L78 HydrophobicContact CG2-CD2 4.08Å; T38-L78 HydrophobicContact CG2-CG 4.31Å; T38-L78 WeakPolarHBondContact OG1-CD1 3.22Å; I74-L78 HydrophobicContact CG2-CD1 3.66Å; I74-L78 WeakPolarHBondContact O-CD1 3.45Å; I74-L78 PolarHBondContact O-N 2.96Å; S75-L78 PolarHBondContact O-N 2.85Å; L78-C81 PolarHBondContact O-N 3.25Å; L78-S82 VanDerWaalsContact O-CB 3.32Å; L78-S82 WeakPolarHBondContact O-CB 3.32Å; L78-S82 PolarHBondContact O-N 2.98Å; L78-S82 PolarHBondContact O-OG 3.4Å; L78-F92 HydrophobicContact CD2-CB 3.86Å; L78-F92 HydrophobicContact CD2-CD2 3.89Å; L78-F92 HydrophobicContact CD2-CG 3.92Å; L78-Y116 HydrophobicContact CD1-CD1 4.06Å |
| 79 | F | 94.3 | Very high | 93.4 | Very high | 157 Ų | 157 | 54.4 Ų | 54.4 | 69% | 0.689 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.8 | -45.9 | -176.8 | -175.3 | -93.8 | 0 | 0 | 0 | 111.9 | S75 S82 E83 | S75-F79 WeakPolarHBondContact O-CB 3.5Å; S75-F79 PolarHBondContact O-N 3.06Å; F79-S82 PolarHBondContact O-N 3.37Å; F79-S82 PolarHBondContact O-OG 2.8Å; F79-E83 PolarHBondContact O-N 3.14Å |
| 80 | D | 95.2 | Very high | 93.4 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 179 | -177.6 | 11.1 | 0 | 0 | 0 | 112.1 | G76 K229 W370 K371 | G76-D80 VanDerWaalsContact O-CB 3.22Å; G76-D80 WeakPolarHBondContact O-CB 3.22Å; G76-D80 PolarHBondContact O-N 3.05Å; D80-K229 IonicContact OD1-NZ 2.69Å; D80-W370 HydrophobicContact CB-CH2 4.04Å; D80-W370 HydrophobicContact CB-CZ2 3.92Å; D80-W370 VanDerWaalsContact CG-CZ2 3.44Å; D80-W370 WeakPolarHBondContact OD2-CH2 3.4Å; D80-W370 WeakPolarHBondContact OD2-CZ2 3.47Å; D80-K371 IonicContact OD1-NZ 2.86Å; D80-K371 PolarHBondContact OD1-NZ 3.36Å; D80-K371 IonicContact OD2-NZ 3.72Å; D80-K371 PolarHBondContact OD2-NZ 2.7Å |
| 81 | C | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 174.8 | -170.5 | 0 | 0 | 0 | 0 | 112.2 | F34 L77 L78 E83 I90 F92 F230 W370 I376 | F34-C81 HydrophobicContact CZ-CB 4Å; L77-C81 WeakPolarHBondContact O-CB 3.37Å; L77-C81 PolarHBondContact O-N 2.97Å; L78-C81 PolarHBondContact O-N 3.25Å; C81-E83 VanDerWaalsContact C-N 3.33Å; C81-I90 WeakPolarHBondContact O-CG2 3.33Å; C81-F92 HydrophobicContact CB-CE2 4.2Å; C81-F230 WeakPolarHBondContact O-CZ 3.32Å; C81-W370 HydrophobicContact CB-CD2 4.16Å; C81-W370 HydrophobicContact CB-CE3 4.33Å; C81-W370 HydrophobicContact CB-CH2 4.22Å; C81-W370 HydrophobicContact CB-CZ2 4.01Å; C81-W370 HydrophobicContact CB-CZ3 4.36Å; C81-I376 VanDerWaalsContact SG-CD1 3.56Å |
| 82 | S | 92.9 | Very high | 93 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -85 | -0.3 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | L78 F79 R84 | L78-S82 VanDerWaalsContact O-CB 3.32Å; L78-S82 WeakPolarHBondContact O-CB 3.32Å; L78-S82 PolarHBondContact O-N 2.98Å; L78-S82 PolarHBondContact O-OG 3.4Å; F79-S82 PolarHBondContact O-N 3.37Å; F79-S82 PolarHBondContact O-OG 2.8Å; S82-R84 PolarHBondContact O-N 3.23Å; S82-R84 VanDerWaalsContact O-N 3.14Å |
| 83 | E | 93.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | trans | -58.2 | 118.8 | 173.8 | -172 | -174.5 | -152.4 | 0 | 0 | 110 | F79 C81 G85 K229 | F79-E83 PolarHBondContact O-N 3.14Å; C81-E83 VanDerWaalsContact C-N 3.33Å; E83-G85 PolarHBondContact O-N 3.46Å; E83-K229 IonicContact OE2-NZ 2.77Å; E83-K229 PolarHBondContact OE2-NZ 3.38Å | ||
| 84 | R | 87.6 | Confident | 92.7 | Very high | 198 Ų | 198 | 47.4 Ų | 47.4 | 75% | 0.747 | 25% | 0.25 | S | C | * | . | trans | -59.4 | 129.4 | -179.8 | -74.2 | -175.3 | 166.8 | 176.5 | -5.7 | 110.5 | S82 E89 | S82-R84 PolarHBondContact O-N 3.23Å; S82-R84 VanDerWaalsContact O-N 3.14Å; R84-E89 IonicContact CZ-OE1 3.59Å; R84-E89 IonicContact NE-OE1 3.53Å; R84-E89 IonicContact NH2-OE1 2.85Å; R84-E89 PolarHBondContact NH2-OE1 3.25Å | ||
| 85 | G | 89.2 | Confident | 92.7 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -129.8 | 172.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E83 G87 V88 | E83-G85 PolarHBondContact O-N 3.46Å; G85-G87 PolarHBondContact O-N 3.34Å; G85-V88 PolarHBondContact O-N 2.91Å |
| 86 | E | 91 | Very high | 92.7 | Very high | 143 Ų | 143 | 46.1 Ų | 46.1 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 126.2 | -179.2 | -171.9 | 176.6 | 169.7 | 0 | 0 | 111.2 | V88 K226 N227 | E86-V88 PolarHBondContact O-N 3.2Å; E86-V88 VanDerWaalsContact O-N 3.13Å; E86-K226 CarbonylContact O-C 3.37Å; E86-K226 WeakPolarHBondContact O-CB 3.23Å; E86-N227 PolarHBondContact O-N 3.31Å |
| 87 | G | 92.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 2.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | G85 G173 M174 | G85-G87 PolarHBondContact O-N 3.34Å; G87-G173 CarbonylContact O-C 3.55Å; G87-G173 VanDerWaalsContact O-CA 3.28Å; G87-G173 WeakPolarHBondContact O-CA 3.42Å; G87-M174 PolarHBondContact O-N 3.46Å |
| 88 | V | 92.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.1 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 111 | G85 E86 F171 E172 F225 N227 F230 | G85-V88 PolarHBondContact O-N 2.91Å; E86-V88 PolarHBondContact O-N 3.2Å; E86-V88 VanDerWaalsContact O-N 3.13Å; V88-F171 HydrophobicContact CG1-CD2 4.4Å; V88-F171 HydrophobicContact CG1-CE2 3.55Å; V88-F171 HydrophobicContact CG1-CZ 3.76Å; V88-F171 HydrophobicContact CG2-CZ 4.49Å; V88-E172 CarbonylContact C-O 3.51Å; V88-E172 VanDerWaalsContact CA-O 3.3Å; V88-E172 WeakPolarHBondContact CA-O 3.33Å; V88-F225 HydrophobicContact CG2-CB 3.69Å; V88-F225 HydrophobicContact CG2-CG 4.26Å; V88-N227 HydrophobicContact CB-CB 3.91Å; V88-N227 HydrophobicContact CG2-CB 3.64Å; V88-F230 HydrophobicContact CB-CD2 4.29Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.87Å; V88-F230 HydrophobicContact CG1-CG 4.23Å; V88-F230 HydrophobicContact CG1-CZ 4.43Å; V88-F230 HydrophobicContact CG2-CD2 4.34Å |
| 89 | E | 91.7 | Very high | 92.7 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.4 | 168.3 | -175 | 169.6 | -139.7 | 0 | 0 | 109.9 | R84 M91 K145 E172 | R84-E89 IonicContact CZ-OE1 3.59Å; R84-E89 IonicContact NE-OE1 3.53Å; R84-E89 IonicContact NH2-OE1 2.85Å; R84-E89 PolarHBondContact NH2-OE1 3.25Å; E89-M91 HydrophobicContact CG-CG 4.26Å; E89-K145 WeakPolarHBondContact OE2-CE 3.43Å; E89-K145 IonicContact OE2-NZ 2.57Å; E89-K145 PolarHBondContact OE2-NZ 2.85Å; E89-E172 PolarHBondContact N-O 3.23Å; E89-E172 PolarHBondContact O-N 3.09Å |
| 90 | I | 91.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134 | 172.2 | -171.4 | 174.1 | 0 | 0 | 0 | 109 | C81 F92 T169 Y170 F171 I376 F377 | C81-I90 WeakPolarHBondContact O-CG2 3.33Å; I90-F92 HydrophobicContact CD1-CE1 3.9Å; I90-F92 HydrophobicContact CD1-CE2 3.77Å; I90-F92 HydrophobicContact CD1-CZ 3.3Å; I90-F92 HydrophobicContact CG1-CE1 4.44Å; I90-F92 HydrophobicContact CG1-CE2 4.06Å; I90-F92 HydrophobicContact CG1-CZ 3.99Å; I90-F92 HydrophobicContact CG2-CE2 4.32Å; I90-T169 HydrophobicContact CD1-CG2 4.29Å; I90-T169 HydrophobicContact CG1-CG2 4.25Å; I90-Y170 CarbonylContact C-O 3.6Å; I90-Y170 WeakPolarHBondContact CA-O 3.35Å; I90-Y170 WeakPolarHBondContact CG1-O 3.3Å; I90-F171 HydrophobicContact CB-CD2 4.05Å; I90-F171 HydrophobicContact CD1-CD2 4.12Å; I90-F171 HydrophobicContact CG1-CD2 4.17Å; I90-I376 HydrophobicContact CD1-CG2 3.6Å; I90-F377 HydrophobicContact CD1-CE2 4.41Å |
| 91 | M | 89.3 | Confident | 92.5 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.1 | 177.1 | -60.2 | -174.7 | -69.8 | 0 | 0 | 109.4 | E89 L143 K145 T169 Y170 | E89-M91 HydrophobicContact CG-CG 4.26Å; M91-L143 WeakPolarHBondContact CE-O 3.35Å; M91-K145 HydrophobicContact CE-CD 4.19Å; M91-K145 HydrophobicContact CE-CG 3.99Å; M91-T169 WeakPolarHBondContact O-CA 3.35Å; M91-Y170 HydrophobicContact CE-CD1 3.26Å; M91-Y170 HydrophobicContact CE-CE1 3.79Å; M91-Y170 HydrophobicContact CE-CG 3.86Å; M91-Y170 HydrophobicContact CG-CD1 4.46Å; M91-Y170 PolarHBondContact N-O 3.3Å; M91-Y170 PolarHBondContact O-N 2.89Å |
| 92 | F | 90.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.9 | 171.7 | -61.4 | -75.6 | 0 | 0 | 0 | 108.4 | F34 N35 L78 C81 I90 T169 I376 | F34-F92 HydrophobicContact CD1-CD1 4.22Å; F34-F92 AromaticContact CD1-CE1 3.41Å; F34-F92 HydrophobicContact CD1-CE1 3.41Å; F34-F92 VanDerWaalsContact CD1-CE1 3.41Å; F34-F92 HydrophobicContact CD1-CE2 4.32Å; F34-F92 AromaticContact CD1-CZ 3.46Å; F34-F92 HydrophobicContact CD1-CZ 3.46Å; F34-F92 VanDerWaalsContact CD1-CZ 3.46Å; F34-F92 AromaticContact CE1-CE1 3.82Å; F34-F92 HydrophobicContact CE1-CE1 3.82Å; F34-F92 AromaticContact CE1-CE2 3.89Å; F34-F92 HydrophobicContact CE1-CE2 3.89Å; F34-F92 AromaticContact CE1-CZ 3.45Å; F34-F92 HydrophobicContact CE1-CZ 3.45Å; F34-F92 VanDerWaalsContact CE1-CZ 3.45Å; F34-F92 HydrophobicContact CG-CE1 4.35Å; F34-F92 HydrophobicContact CG-CZ 4.36Å; F34-F92 HydrophobicContact CZ-CZ 4.34Å; N35-F92 HydrophobicContact CB-CD1 3.83Å; N35-F92 HydrophobicContact CB-CE1 4.24Å; L78-F92 HydrophobicContact CD2-CB 3.86Å; L78-F92 HydrophobicContact CD2-CD2 3.89Å; L78-F92 HydrophobicContact CD2-CG 3.92Å; C81-F92 HydrophobicContact CB-CE2 4.2Å; I90-F92 HydrophobicContact CD1-CE1 3.9Å; I90-F92 HydrophobicContact CD1-CE2 3.77Å; I90-F92 HydrophobicContact CD1-CZ 3.3Å; I90-F92 HydrophobicContact CG1-CE1 4.44Å; I90-F92 HydrophobicContact CG1-CE2 4.06Å; I90-F92 HydrophobicContact CG1-CZ 3.99Å; I90-F92 HydrophobicContact CG2-CE2 4.32Å; F92-T169 HydrophobicContact CD1-CG2 3.58Å; F92-T169 HydrophobicContact CE1-CG2 3.53Å; F92-T169 HydrophobicContact CZ-CG2 4.48Å; F92-I376 HydrophobicContact CE1-CG2 4.29Å; F92-I376 HydrophobicContact CZ-CG2 4.22Å |
| 93 | G | 90.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T167 T168 | G93-T167 CarbonylContact O-C 3.56Å; G93-T167 WeakPolarHBondContact O-CA 3.28Å; G93-T168 PolarHBondContact N-O 3.36Å; G93-T168 PolarHBondContact O-N 2.86Å; G93-T168 PolarHBondContact O-OG1 3Å |
| 94 | N | 93.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.9 | -179 | -68.8 | -54.8 | 0 | 0 | 0 | 109.9 | N35 M42 A118 Q119 W139 I166 | N35-N94 PolarHBondContact OD1-ND2 3.38Å; N35-N94 PolarHBondContact OD1-OD1 2.91Å; M42-N94 HydrophobicContact CE-CB 4.38Å; M42-N94 HydrophobicContact SD-CB 3.74Å; N94-A118 HydrophobicContact CB-CB 3.72Å; N94-A118 CarbonylContact O-C 3.58Å; N94-A118 WeakPolarHBondContact O-CA 3.41Å; N94-Q119 PolarHBondContact O-N 2.93Å; N94-W139 WeakPolarHBondContact O-CZ2 3.34Å; N94-I166 WeakPolarHBondContact CA-O 3.25Å |
| 95 | G | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q119 V165 I166 | G95-Q119 CarbonylContact C-O 3.57Å; G95-Q119 WeakPolarHBondContact CA-O 3.48Å; G95-V165 CarbonylContact O-C 3.56Å; G95-V165 WeakPolarHBondContact O-CA 3.4Å; G95-I166 PolarHBondContact N-O 3.48Å; G95-I166 PolarHBondContact O-N 3.33Å |
| 96 | L | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.4 | 167.4 | 179.7 | 86.5 | 0 | 0 | 0 | 108 | T98 Y108 L112 Q119 T120 E121 V163 V165 M309 | L96-T98 HydrophobicContact CD2-CG2 3.97Å; L96-T98 HydrophobicContact CG-CG2 3.99Å; L96-Y108 HydrophobicContact CD2-CD1 4.46Å; L96-Y108 HydrophobicContact CD2-CE1 3.69Å; L96-L112 HydrophobicContact CB-CD1 4.15Å; L96-L112 HydrophobicContact CD2-CD1 4.02Å; L96-Q119 PolarHBondContact N-O 3.07Å; L96-T120 HydrophobicContact CB-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 3.97Å; L96-T120 CarbonylContact O-C 3.55Å; L96-T120 WeakPolarHBondContact O-CA 3.37Å; L96-E121 PolarHBondContact O-N 2.91Å; L96-V163 HydrophobicContact CD1-CG1 3.57Å; L96-V163 HydrophobicContact CG-CG1 4.41Å; L96-V165 HydrophobicContact CD1-CG2 3.81Å; L96-M309 HydrophobicContact CD1-CE 4.23Å |
| 97 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.6 | 178.2 | -61.1 | -90.2 | 0 | 0 | 0 | 108.8 | E121 V123 F125 I136 W139 V163 L164 I166 | F97-E121 CarbonylContact C-O 3.58Å; F97-E121 VanDerWaalsContact CA-O 3.29Å; F97-E121 WeakPolarHBondContact CA-O 3.38Å; F97-E121 HydrophobicContact CD1-CB 3.86Å; F97-E121 HydrophobicContact CD1-CG 4.39Å; F97-E121 HydrophobicContact CE1-CB 4Å; F97-E121 HydrophobicContact CE1-CG 4.49Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.28Å; F97-V123 HydrophobicContact CB-CG2 4.27Å; F97-V123 HydrophobicContact CD1-CG1 4.09Å; F97-F125 HydrophobicContact CB-CE2 4.38Å; F97-F125 HydrophobicContact CB-CZ 3.91Å; F97-I136 HydrophobicContact CB-CD1 4.13Å; F97-I136 HydrophobicContact CD1-CD1 4.19Å; F97-I136 HydrophobicContact CD1-CG1 3.65Å; F97-I136 HydrophobicContact CD2-CD1 4.37Å; F97-I136 HydrophobicContact CD2-CG1 4.15Å; F97-I136 HydrophobicContact CE1-CG1 3.8Å; F97-I136 HydrophobicContact CE2-CG1 4.3Å; F97-I136 HydrophobicContact CG-CD1 3.97Å; F97-I136 HydrophobicContact CG-CG1 3.83Å; F97-I136 HydrophobicContact CZ-CG1 4.12Å; F97-W139 HydrophobicContact CE2-CD2 4.24Å; F97-W139 AromaticContact CE2-CE3 3.91Å; F97-W139 HydrophobicContact CE2-CE3 3.91Å; F97-W139 HydrophobicContact CE2-CH2 4.33Å; F97-W139 AromaticContact CE2-CZ3 3.98Å; F97-W139 HydrophobicContact CE2-CZ3 3.98Å; F97-W139 HydrophobicContact CZ-CB 4.41Å; F97-W139 AromaticContact CZ-CD2 3.62Å; F97-W139 HydrophobicContact CZ-CD2 3.62Å; F97-W139 AromaticContact CZ-CE3 3.68Å; F97-W139 HydrophobicContact CZ-CE3 3.68Å; F97-W139 AromaticContact CZ-CG 3.96Å; F97-W139 HydrophobicContact CZ-CG 3.96Å; F97-W139 HydrophobicContact CZ-CZ3 4.19Å; F97-V163 CarbonylContact O-C 3.4Å; F97-V163 WeakPolarHBondContact O-CA 3.35Å; F97-L164 HydrophobicContact CB-CB 4.42Å; F97-L164 PolarHBondContact N-O 2.95Å; F97-L164 PolarHBondContact O-N 3Å; F97-I166 HydrophobicContact CD2-CD1 3.61Å; F97-I166 HydrophobicContact CD2-CG1 3.98Å; F97-I166 HydrophobicContact CE2-CB 4.25Å; F97-I166 HydrophobicContact CE2-CD1 3.67Å; F97-I166 HydrophobicContact CE2-CG1 4.13Å |
| 98 | T | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153 | -176.9 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | L96 V102 V104 E121 S122 V123 S162 V163 | L96-T98 HydrophobicContact CD2-CG2 3.97Å; L96-T98 HydrophobicContact CG-CG2 3.99Å; T98-V102 HydrophobicContact CG2-CG1 4.31Å; T98-V104 HydrophobicContact CG2-CG2 3.69Å; T98-E121 PolarHBondContact N-O 3.42Å; T98-S122 CarbonylContact O-C 3.48Å; T98-S122 WeakPolarHBondContact O-CA 3.08Å; T98-V123 PolarHBondContact O-N 3.06Å; T98-S162 CarbonylContact C-O 3.51Å; T98-S162 WeakPolarHBondContact CA-O 3.45Å; T98-V163 HydrophobicContact CG2-CG1 4.3Å; T98-V163 HydrophobicContact CG2-CG2 4.02Å |
| 99 | A | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 156.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D101 V102 F125 S162 | A99-D101 WeakPolarHBondContact CB-OD1 3.34Å; A99-D101 PolarHBondContact O-N 3.42Å; A99-V102 HydrophobicContact CB-CG2 4.28Å; A99-V102 PolarHBondContact O-N 3.01Å; A99-V102 VanDerWaalsContact O-N 3.11Å; A99-F125 HydrophobicContact CB-CD2 4.11Å; A99-S162 PolarHBondContact N-O 2.98Å |
| 100 | E | 93.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 43 Ų | 43 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.2 | -176.7 | -66.7 | 179.1 | 129.5 | 0 | 0 | 114 | V102 S122 | E100-V102 VanDerWaalsContact C-N 3.34Å; E100-S122 WeakPolarHBondContact CA-OG 3.41Å |
| 101 | D | 91.5 | Very high | 94.6 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.9 | 176.8 | 61.8 | -16.1 | 0 | 0 | 0 | 113.8 | A99 N103 Q126 S312 | A99-D101 WeakPolarHBondContact CB-OD1 3.34Å; A99-D101 PolarHBondContact O-N 3.42Å; D101-N103 PolarHBondContact O-N 2.89Å; D101-Q126 VanDerWaalsContact CG-NE2 3.33Å; D101-Q126 PolarHBondContact OD1-NE2 3.47Å; D101-Q126 PolarHBondContact OD2-NE2 3.36Å; D101-S312 PolarHBondContact O-OG 2.87Å |
| 102 | V | 94 | Very high | 94.9 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -91.1 | 100.2 | 175 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | T98 A99 E100 V104 F315 | T98-V102 HydrophobicContact CG2-CG1 4.31Å; A99-V102 HydrophobicContact CB-CG2 4.28Å; A99-V102 PolarHBondContact O-N 3.01Å; A99-V102 VanDerWaalsContact O-N 3.11Å; E100-V102 VanDerWaalsContact C-N 3.34Å; V102-V104 HydrophobicContact CG1-CG2 4.2Å; V102-V104 PolarHBondContact O-N 2.97Å; V102-F315 HydrophobicContact CG1-CD1 4.36Å; V102-F315 HydrophobicContact CG1-CE1 4.31Å; V102-F315 HydrophobicContact CG1-CE2 4.44Å; V102-F315 HydrophobicContact CG1-CG 4.46Å; V102-F315 HydrophobicContact CG1-CZ 4.34Å; V102-F315 HydrophobicContact CG2-CB 4.38Å; V102-F315 HydrophobicContact CG2-CG 4.38Å | ||
| 103 | N | 94.7 | Very high | 95.2 | Very high | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | trans | -79.1 | 83.1 | 179.6 | -66 | -48.2 | 0 | 0 | 0 | 111.5 | D101 K105 S310 E311 S312 | D101-N103 PolarHBondContact O-N 2.89Å; N103-K105 PolarHBondContact O-N 3.44Å; N103-S310 VanDerWaalsContact C-OG 3.3Å; N103-S310 PolarHBondContact N-OG 3.16Å; N103-S310 VanDerWaalsContact O-CA 3.28Å; N103-S310 WeakPolarHBondContact O-CA 3.47Å; N103-S310 WeakPolarHBondContact O-CB 3.26Å; N103-S310 PolarHBondContact O-OG 3.37Å; N103-E311 PolarHBondContact O-N 3.35Å; N103-E311 VanDerWaalsContact O-N 3.11Å; N103-S312 PolarHBondContact N-OG 2.91Å; N103-S312 PolarHBondContact ND2-OG 3.3Å | ||
| 104 | V | 96.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 52 Ų | 52 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 126.1 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | T98 V102 Y108 Q109 M309 | T98-V104 HydrophobicContact CG2-CG2 3.69Å; V102-V104 HydrophobicContact CG1-CG2 4.2Å; V102-V104 PolarHBondContact O-N 2.97Å; V104-Y108 HydrophobicContact CG1-CD1 3.71Å; V104-Y108 HydrophobicContact CG1-CE1 4.46Å; V104-Q109 HydrophobicContact CB-CG 4.43Å; V104-Q109 HydrophobicContact CG1-CG 3.71Å; V104-Q109 PolarHBondContact O-NE2 3.01Å; V104-Q109 VanDerWaalsContact O-NE2 3.16Å; V104-M309 CarbonylContact C-O 3.58Å; V104-M309 WeakPolarHBondContact CA-O 3.32Å; V104-M309 WeakPolarHBondContact CG1-O 3.41Å |
| 105 | K | 97.1 | Very high | 95.5 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | trans | -64.2 | 139.3 | -179.5 | -70 | 178.6 | 174.2 | -177.2 | 0 | 111.9 | N103 D107 Y108 Q109 T307 M309 E311 | N103-K105 PolarHBondContact O-N 3.44Å; K105-D107 VanDerWaalsContact C-N 3.33Å; K105-D107 PolarHBondContact O-N 3.44Å; K105-Y108 WeakPolarHBondContact O-CB 3.37Å; K105-Y108 PolarHBondContact O-N 2.61Å; K105-Y108 VanDerWaalsContact O-N 3.1Å; K105-Q109 WeakPolarHBondContact O-CG 3.42Å; K105-Q109 PolarHBondContact O-N 2.76Å; K105-T307 WeakPolarHBondContact CE-O 3.29Å; K105-T307 PolarHBondContact NZ-O 2.93Å; K105-M309 PolarHBondContact N-O 3.45Å; K105-E311 HydrophobicContact CG-CG 4Å | ||
| 106 | E | 96.7 | Very high | 95.5 | Very high | 142 Ų | 142 | 54.4 Ų | 54.4 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | 178 | -170.5 | 179.5 | 172.9 | 0 | 0 | 112.2 | Y108 Q109 N110 | E106-Y108 PolarHBondContact O-N 3.49Å; E106-Q109 PolarHBondContact O-N 3.4Å; E106-N110 WeakPolarHBondContact O-CB 3.27Å; E106-N110 PolarHBondContact O-N 3.1Å; E106-N110 PolarHBondContact O-ND2 2.93Å |
| 107 | D | 95.8 | Very high | 95.3 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59 | -36.5 | 176.7 | -73.6 | -16.1 | 0 | 0 | 0 | 112.6 | K105 T111 | K105-D107 VanDerWaalsContact C-N 3.33Å; K105-D107 PolarHBondContact O-N 3.44Å; D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 3.43Å; D107-T111 PolarHBondContact O-OG1 2.79Å |
| 108 | Y | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 176.2 | -177.6 | -106.2 | 0 | 0 | 0 | 111.3 | M42 S45 G46 L96 V104 K105 E106 N110 T111 L112 M309 | M42-Y108 PolarHBondContact O-OH 3.27Å; S45-Y108 WeakPolarHBondContact OG-CE2 3.39Å; G46-Y108 VanDerWaalsContact N-CE2 3.33Å; L96-Y108 HydrophobicContact CD2-CD1 4.46Å; L96-Y108 HydrophobicContact CD2-CE1 3.69Å; V104-Y108 HydrophobicContact CG1-CD1 3.71Å; V104-Y108 HydrophobicContact CG1-CE1 4.46Å; K105-Y108 WeakPolarHBondContact O-CB 3.37Å; K105-Y108 PolarHBondContact O-N 2.61Å; K105-Y108 VanDerWaalsContact O-N 3.1Å; E106-Y108 PolarHBondContact O-N 3.49Å; Y108-N110 VanDerWaalsContact C-N 3.28Å; Y108-N110 PolarHBondContact O-N 2.47Å; Y108-T111 WeakPolarHBondContact O-CB 3.48Å; Y108-T111 PolarHBondContact O-N 3.12Å; Y108-T111 VanDerWaalsContact O-N 3.12Å; Y108-L112 HydrophobicContact CD1-CD1 4.05Å; Y108-L112 HydrophobicContact CD1-CG 4.24Å; Y108-L112 HydrophobicContact CE1-CD1 3.36Å; Y108-L112 HydrophobicContact CE1-CD2 4.36Å; Y108-L112 HydrophobicContact CE1-CG 3.83Å; Y108-L112 HydrophobicContact CE2-CD2 4.13Å; Y108-L112 HydrophobicContact CE2-CG 4.27Å; Y108-L112 WeakPolarHBondContact O-CG 3.42Å; Y108-L112 PolarHBondContact O-N 3.38Å; Y108-M309 HydrophobicContact CD1-CB 4.22Å; Y108-M309 HydrophobicContact CD1-CG 3.76Å; Y108-M309 HydrophobicContact CD2-CB 4.49Å; Y108-M309 HydrophobicContact CE1-CB 4.17Å; Y108-M309 HydrophobicContact CE1-CE 4.04Å; Y108-M309 HydrophobicContact CE1-CG 3.53Å; Y108-M309 HydrophobicContact CE1-SD 4.41Å; Y108-M309 HydrophobicContact CE2-CB 4.47Å; Y108-M309 HydrophobicContact CG-CB 4.37Å; Y108-M309 HydrophobicContact CG-CG 4.4Å; Y108-M309 WeakPolarHBondContact OH-CE 3.32Å |
| 109 | Q | 97 | Very high | 95.2 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.7 | -61.2 | 178.9 | 16.4 | 0 | 0 | 111.5 | V104 K105 E106 T111 L112 K113 T120 | V104-Q109 HydrophobicContact CB-CG 4.43Å; V104-Q109 HydrophobicContact CG1-CG 3.71Å; V104-Q109 PolarHBondContact O-NE2 3.01Å; V104-Q109 VanDerWaalsContact O-NE2 3.16Å; K105-Q109 WeakPolarHBondContact O-CG 3.42Å; K105-Q109 PolarHBondContact O-N 2.76Å; E106-Q109 PolarHBondContact O-N 3.4Å; Q109-T111 PolarHBondContact O-N 3.01Å; Q109-L112 PolarHBondContact O-N 2.78Å; Q109-K113 WeakPolarHBondContact O-CB 3.06Å; Q109-K113 PolarHBondContact O-N 3.48Å; Q109-T120 HydrophobicContact CB-CG2 4.42Å; Q109-T120 HydrophobicContact CG-CG2 4.14Å; Q109-T120 WeakPolarHBondContact CG-OG1 3.49Å |
| 110 | N | 96.5 | Very high | 95.3 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 176.5 | -74.3 | -29 | 0 | 0 | 0 | 112.1 | E106 Y108 S114 | E106-N110 WeakPolarHBondContact O-CB 3.27Å; E106-N110 PolarHBondContact O-N 3.1Å; E106-N110 PolarHBondContact O-ND2 2.93Å; Y108-N110 VanDerWaalsContact C-N 3.28Å; Y108-N110 PolarHBondContact O-N 2.47Å; N110-S114 WeakPolarHBondContact O-CB 3.27Å; N110-S114 PolarHBondContact O-N 2.88Å; N110-S114 PolarHBondContact O-OG 3.16Å |
| 111 | T | 95.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 62.4 Ų | 62.4 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 173.8 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | D107 Y108 Q109 K113 S114 Y115 | D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 3.43Å; D107-T111 PolarHBondContact O-OG1 2.79Å; Y108-T111 WeakPolarHBondContact O-CB 3.48Å; Y108-T111 PolarHBondContact O-N 3.12Å; Y108-T111 VanDerWaalsContact O-N 3.12Å; Q109-T111 PolarHBondContact O-N 3.01Å; T111-K113 PolarHBondContact O-N 2.8Å; T111-S114 PolarHBondContact O-N 2.85Å; T111-Y115 HydrophobicContact CG2-CD2 3.72Å; T111-Y115 HydrophobicContact CG2-CE2 4.14Å; T111-Y115 WeakPolarHBondContact O-CD2 3.32Å; T111-Y115 PolarHBondContact O-N 3.06Å |
| 112 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 178.1 | -69.4 | -163.5 | 0 | 0 | 0 | 112.7 | M42 L96 Y108 Q109 Y116 N117 A118 T120 | M42-L112 HydrophobicContact CB-CD2 3.55Å; M42-L112 HydrophobicContact CE-CD1 4.22Å; M42-L112 HydrophobicContact CE-CD2 4.38Å; M42-L112 HydrophobicContact CG-CD2 3.78Å; L96-L112 HydrophobicContact CB-CD1 4.15Å; L96-L112 HydrophobicContact CD2-CD1 4.02Å; Y108-L112 HydrophobicContact CD1-CD1 4.05Å; Y108-L112 HydrophobicContact CD1-CG 4.24Å; Y108-L112 HydrophobicContact CE1-CD1 3.36Å; Y108-L112 HydrophobicContact CE1-CD2 4.36Å; Y108-L112 HydrophobicContact CE1-CG 3.83Å; Y108-L112 HydrophobicContact CE2-CD2 4.13Å; Y108-L112 HydrophobicContact CE2-CG 4.27Å; Y108-L112 WeakPolarHBondContact O-CG 3.42Å; Y108-L112 PolarHBondContact O-N 3.38Å; Q109-L112 PolarHBondContact O-N 2.78Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 4.42Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.3Å; L112-Y116 WeakPolarHBondContact O-CB 3.41Å; L112-Y116 PolarHBondContact O-N 2.92Å; L112-Y116 VanDerWaalsContact O-N 3.09Å; L112-N117 PolarHBondContact O-N 3.13Å; L112-A118 HydrophobicContact CB-CB 4.22Å; L112-A118 PolarHBondContact O-N 3.44Å; L112-A118 VanDerWaalsContact O-N 3.12Å; L112-T120 HydrophobicContact CB-CG2 4.3Å; L112-T120 HydrophobicContact CD1-CG2 3.5Å; L112-T120 VanDerWaalsContact CD1-CG2 3.5Å; L112-T120 HydrophobicContact CG-CG2 4.42Å |
| 113 | K | 96.3 | Very high | 95.5 | Very high | 146 Ų | 146 | 61.4 Ų | 61.4 | 64% | 0.635 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 176.7 | -173.3 | 177.1 | -179.1 | 178.7 | 0 | 112.1 | Q109 T111 N117 | Q109-K113 WeakPolarHBondContact O-CB 3.06Å; Q109-K113 PolarHBondContact O-N 3.48Å; T111-K113 PolarHBondContact O-N 2.8Å; K113-N117 WeakPolarHBondContact O-CA 3.48Å; K113-N117 PolarHBondContact O-N 3.22Å |
| 114 | S | 94.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 58 Ų | 58 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -76.6 | -43.1 | -171.5 | -55.6 | 0 | 0 | 0 | 0 | 113.2 | N110 T111 | N110-S114 WeakPolarHBondContact O-CB 3.27Å; N110-S114 PolarHBondContact O-N 2.88Å; N110-S114 PolarHBondContact O-OG 3.16Å; T111-S114 PolarHBondContact O-N 2.85Å |
| 115 | Y | 95.5 | Very high | 95.2 | Very high | 52 Ų | 52 | 57 Ų | 57 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -91.2 | -32.9 | -176.9 | -66.8 | -70.3 | 0 | 0 | 0 | 113.2 | H68 H71 Y72 S75 T111 | H68-Y115 PolarHBondContact CE1-OH 3.25Å; H68-Y115 PolarHBondContact ND1-OH 2.83Å; H71-Y115 HydrophobicContact CB-CD1 4.08Å; H71-Y115 HydrophobicContact CB-CD2 4.05Å; H71-Y115 HydrophobicContact CB-CE1 4.41Å; H71-Y115 HydrophobicContact CB-CE2 4.4Å; H71-Y115 HydrophobicContact CB-CG 3.89Å; Y72-Y115 HydrophobicContact CD2-CE1 4.37Å; S75-Y115 VanDerWaalsContact CA-O 3.27Å; S75-Y115 WeakPolarHBondContact CA-O 3.49Å; S75-Y115 WeakPolarHBondContact CB-O 3.45Å; S75-Y115 WeakPolarHBondContact OG-CA 3.38Å; S75-Y115 PolarHBondContact OG-O 2.88Å; T111-Y115 HydrophobicContact CG2-CD2 3.72Å; T111-Y115 HydrophobicContact CG2-CE2 4.14Å; T111-Y115 WeakPolarHBondContact O-CD2 3.32Å; T111-Y115 PolarHBondContact O-N 3.06Å |
| 116 | Y | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -116.2 | -3.6 | -167.4 | -58.6 | -66.7 | 0 | 0 | 0 | 114.1 | T38 G41 M42 H71 I74 L78 L112 A118 | T38-Y116 HydrophobicContact CG2-CD1 3.72Å; T38-Y116 HydrophobicContact CG2-CE1 4.37Å; G41-Y116 VanDerWaalsContact C-CZ 3.47Å; G41-Y116 VanDerWaalsContact CA-OH 3.32Å; G41-Y116 WeakPolarHBondContact CA-OH 3.49Å; G41-Y116 PolarHBondContact O-OH 3.25Å; M42-Y116 HydrophobicContact CB-CD2 4.4Å; M42-Y116 HydrophobicContact CG-CD1 4.07Å; M42-Y116 HydrophobicContact CG-CD2 3.64Å; M42-Y116 HydrophobicContact CG-CE2 4.16Å; M42-Y116 HydrophobicContact CG-CG 3.56Å; H71-Y116 AromaticContact ND1-CZ 3.74Å; H71-Y116 PolarHBondContact ND1-OH 2.89Å; I74-Y116 HydrophobicContact CB-CE1 4.01Å; I74-Y116 HydrophobicContact CD1-CE1 4.34Å; I74-Y116 HydrophobicContact CG2-CD1 4.17Å; I74-Y116 HydrophobicContact CG2-CE1 3.58Å; L78-Y116 HydrophobicContact CD1-CD1 4.06Å; L112-Y116 HydrophobicContact CD2-CD2 3.9Å; L112-Y116 HydrophobicContact CD2-CE2 4.42Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.3Å; L112-Y116 WeakPolarHBondContact O-CB 3.41Å; L112-Y116 PolarHBondContact O-N 2.92Å; L112-Y116 VanDerWaalsContact O-N 3.09Å; Y116-A118 PolarHBondContact O-N 3.32Å; Y116-A118 VanDerWaalsContact O-N 3.13Å |
| 117 | N | 93 | Very high | 94.7 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | trans | 47.9 | 36 | -170.1 | -168.3 | 43.2 | 0 | 0 | 0 | 111.7 | L112 K113 | L112-N117 PolarHBondContact O-N 3.13Å; K113-N117 WeakPolarHBondContact O-CA 3.48Å; K113-N117 PolarHBondContact O-N 3.22Å | ||
| 118 | A | 95.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | trans | -94.7 | 141.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M42 N94 L112 Y116 | M42-A118 HydrophobicContact CE-CB 3.57Å; M42-A118 HydrophobicContact SD-CB 3.86Å; N94-A118 HydrophobicContact CB-CB 3.72Å; N94-A118 CarbonylContact O-C 3.58Å; N94-A118 WeakPolarHBondContact O-CA 3.41Å; L112-A118 HydrophobicContact CB-CB 4.22Å; L112-A118 PolarHBondContact O-N 3.44Å; L112-A118 VanDerWaalsContact O-N 3.12Å; Y116-A118 PolarHBondContact O-N 3.32Å; Y116-A118 VanDerWaalsContact O-N 3.13Å | ||
| 119 | Q | 94.2 | Very high | 94.4 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.5 | 173.1 | 179.9 | 164.4 | -32.7 | 0 | 0 | 110 | N94 G95 L96 E121 | N94-Q119 PolarHBondContact O-N 2.93Å; G95-Q119 CarbonylContact C-O 3.57Å; G95-Q119 WeakPolarHBondContact CA-O 3.48Å; L96-Q119 PolarHBondContact N-O 3.07Å; Q119-E121 PolarHBondContact NE2-OE2 3.12Å |
| 120 | T | 95.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 58 Ų | 58 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.3 | 166.5 | 51 | 0 | 0 | 0 | 0 | 108.1 | L96 Q109 L112 | L96-T120 HydrophobicContact CB-CG2 4.19Å; L96-T120 HydrophobicContact CD2-CG2 3.97Å; L96-T120 CarbonylContact O-C 3.55Å; L96-T120 WeakPolarHBondContact O-CA 3.37Å; Q109-T120 HydrophobicContact CB-CG2 4.42Å; Q109-T120 HydrophobicContact CG-CG2 4.14Å; Q109-T120 WeakPolarHBondContact CG-OG1 3.49Å; L112-T120 HydrophobicContact CB-CG2 4.3Å; L112-T120 HydrophobicContact CD1-CG2 3.5Å; L112-T120 VanDerWaalsContact CD1-CG2 3.5Å; L112-T120 HydrophobicContact CG-CG2 4.42Å |
| 121 | E | 95.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 132.3 | -177.3 | -172.5 | 161.9 | -161.5 | 0 | 0 | 111.7 | L96 F97 T98 Q119 V123 R135 | L96-E121 PolarHBondContact O-N 2.91Å; F97-E121 CarbonylContact C-O 3.58Å; F97-E121 VanDerWaalsContact CA-O 3.29Å; F97-E121 WeakPolarHBondContact CA-O 3.38Å; F97-E121 HydrophobicContact CD1-CB 3.86Å; F97-E121 HydrophobicContact CD1-CG 4.39Å; F97-E121 HydrophobicContact CE1-CB 4Å; F97-E121 HydrophobicContact CE1-CG 4.49Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.28Å; T98-E121 PolarHBondContact N-O 3.42Å; Q119-E121 PolarHBondContact NE2-OE2 3.12Å; E121-V123 HydrophobicContact CG-CG1 3.96Å; E121-R135 IonicContact OE1-CZ 3.05Å; E121-R135 IonicContact OE1-NE 2.64Å; E121-R135 PolarHBondContact OE1-NE 2.89Å; E121-R135 IonicContact OE1-NH2 2.66Å; E121-R135 PolarHBondContact OE1-NH2 3.16Å |
| 122 | S | 94.9 | Very high | 94 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.1 | 170.9 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | T98 E100 | T98-S122 CarbonylContact O-C 3.48Å; T98-S122 WeakPolarHBondContact O-CA 3.08Å; E100-S122 WeakPolarHBondContact CA-OG 3.41Å |
| 123 | V | 93.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 149.6 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | F97 T98 E121 F125 A132 | F97-V123 HydrophobicContact CB-CG2 4.27Å; F97-V123 HydrophobicContact CD1-CG1 4.09Å; T98-V123 PolarHBondContact O-N 3.06Å; E121-V123 HydrophobicContact CG-CG1 3.96Å; V123-F125 HydrophobicContact CG2-CD1 3.81Å; V123-F125 HydrophobicContact CG2-CD2 3.66Å; V123-F125 HydrophobicContact CG2-CE1 3.44Å; V123-F125 VanDerWaalsContact CG2-CE1 3.44Å; V123-F125 HydrophobicContact CG2-CE2 3.31Å; V123-F125 HydrophobicContact CG2-CG 3.9Å; V123-F125 HydrophobicContact CG2-CZ 3.19Å; V123-F125 PolarHBondContact O-N 3.28Å; V123-A132 HydrophobicContact CB-CB 4.11Å; V123-A132 HydrophobicContact CG2-CB 4.16Å |
| 124 | A | 92.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 22% | 0.223 | 29% | 0.288 | C | S | . | . | trans | -78.8 | 51.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q126 M127 D128 | A124-Q126 PolarHBondContact O-N 3.22Å; A124-Q126 VanDerWaalsContact O-N 3.14Å; A124-M127 HydrophobicContact CB-CB 4.28Å; A124-M127 PolarHBondContact O-N 3.14Å; A124-M127 VanDerWaalsContact O-N 3.13Å; A124-D128 CarbonylContact O-C 3.6Å; A124-D128 PolarHBondContact O-N 3.02Å | ||
| 125 | F | 91.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -37.8 | -179.1 | -69.3 | -51 | 0 | 0 | 0 | 113.2 | F97 A99 V123 P129 A132 I136 L157 T159 T161 L164 | F97-F125 HydrophobicContact CB-CE2 4.38Å; F97-F125 HydrophobicContact CB-CZ 3.91Å; A99-F125 HydrophobicContact CB-CD2 4.11Å; V123-F125 HydrophobicContact CG2-CD1 3.81Å; V123-F125 HydrophobicContact CG2-CD2 3.66Å; V123-F125 HydrophobicContact CG2-CE1 3.44Å; V123-F125 VanDerWaalsContact CG2-CE1 3.44Å; V123-F125 HydrophobicContact CG2-CE2 3.31Å; V123-F125 HydrophobicContact CG2-CG 3.9Å; V123-F125 HydrophobicContact CG2-CZ 3.19Å; V123-F125 PolarHBondContact O-N 3.28Å; F125-P129 WeakPolarHBondContact O-CB 3.48Å; F125-P129 WeakPolarHBondContact O-CD 3.45Å; F125-A132 HydrophobicContact CD1-CB 3.65Å; F125-A132 HydrophobicContact CE1-CB 3.9Å; F125-I136 HydrophobicContact CE1-CD1 3.88Å; F125-I136 HydrophobicContact CZ-CD1 4.04Å; F125-L157 HydrophobicContact CD1-CD1 4.08Å; F125-L157 HydrophobicContact CE1-CD1 3.75Å; F125-T159 WeakPolarHBondContact O-CA 3.37Å; F125-T161 WeakPolarHBondContact CB-O 3.24Å; F125-T161 HydrophobicContact CD1-CG2 4.03Å; F125-T161 HydrophobicContact CD2-CG2 3.86Å; F125-T161 VanDerWaalsContact CD2-O 3.25Å; F125-T161 WeakPolarHBondContact CD2-O 3.07Å; F125-T161 HydrophobicContact CE1-CG2 4.07Å; F125-T161 HydrophobicContact CE2-CG2 3.88Å; F125-T161 HydrophobicContact CG-CG2 3.94Å; F125-T161 HydrophobicContact CZ-CG2 3.99Å; F125-L164 HydrophobicContact CE1-CD1 3.8Å; F125-L164 HydrophobicContact CE1-CG 4.5Å; F125-L164 HydrophobicContact CZ-CB 4.43Å; F125-L164 HydrophobicContact CZ-CD1 3.63Å; F125-L164 HydrophobicContact CZ-CG 3.92Å |
| 126 | Q | 90.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -33.7 | -177.6 | -67.5 | 174.9 | -7.9 | 0 | 0 | 113.1 | D101 A124 T159 | D101-Q126 VanDerWaalsContact CG-NE2 3.33Å; D101-Q126 PolarHBondContact OD1-NE2 3.47Å; D101-Q126 PolarHBondContact OD2-NE2 3.36Å; A124-Q126 PolarHBondContact O-N 3.22Å; A124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-T159 WeakPolarHBondContact CG-O 3.39Å; Q126-T159 WeakPolarHBondContact O-CG2 3.5Å |
| 127 | M | 92.2 | Very high | 93.5 | Very high | 159 Ų | 159 | 53.7 Ų | 53.7 | 78% | 0.783 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -42.1 | -175 | -66.9 | -67.8 | -69.5 | 0 | 0 | 112.2 | A124 | A124-M127 HydrophobicContact CB-CB 4.28Å; A124-M127 PolarHBondContact O-N 3.14Å; A124-M127 VanDerWaalsContact O-N 3.13Å |
| 128 | D | 93.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | trans | -148 | 77.6 | -176.8 | -163.5 | -20.8 | 0 | 0 | 0 | 111 | A124 E130 D131 A132 | A124-D128 CarbonylContact O-C 3.6Å; A124-D128 PolarHBondContact O-N 3.02Å; D128-E130 PolarHBondContact O-N 2.91Å; D128-E130 PolarHBondContact OD1-N 3.1Å; D128-D131 HydrophobicContact CB-CB 4.09Å; D128-D131 VanDerWaalsContact CG-CB 3.43Å; D128-D131 PolarHBondContact O-N 3.01Å; D128-D131 PolarHBondContact OD1-N 3.08Å; D128-A132 PolarHBondContact O-N 3.4Å; D128-A132 VanDerWaalsContact O-N 3.09Å | ||
| 129 | P | 92.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -26.6 | 179.4 | 23.5 | -32.1 | 0 | 0 | 0 | 112.9 | F125 G133 L157 T159 | F125-P129 WeakPolarHBondContact O-CB 3.48Å; F125-P129 WeakPolarHBondContact O-CD 3.45Å; P129-G133 PolarHBondContact O-N 3.18Å; P129-L157 HydrophobicContact CB-CB 3.96Å; P129-T159 HydrophobicContact CG-CG2 4.12Å |
| 130 | E | 93.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 179 | -168.7 | -171 | 142.9 | 0 | 0 | 111.4 | D128 G133 K134 | D128-E130 PolarHBondContact O-N 2.91Å; D128-E130 PolarHBondContact OD1-N 3.1Å; E130-G133 PolarHBondContact O-N 2.82Å; E130-K134 WeakPolarHBondContact O-CG 3.18Å; E130-K134 PolarHBondContact O-N 3.04Å; E130-K134 VanDerWaalsContact OE1-CE 3.27Å; E130-K134 WeakPolarHBondContact OE1-CE 3.16Å; E130-K134 IonicContact OE1-NZ 3.85Å; E130-K134 PolarHBondContact OE1-NZ 2.79Å |
| 131 | D | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 174 | -171.2 | 68.6 | 0 | 0 | 0 | 111.6 | D128 G133 K134 R135 | D128-D131 HydrophobicContact CB-CB 4.09Å; D128-D131 VanDerWaalsContact CG-CB 3.43Å; D128-D131 PolarHBondContact O-N 3.01Å; D128-D131 PolarHBondContact OD1-N 3.08Å; D131-G133 VanDerWaalsContact C-N 3.29Å; D131-G133 PolarHBondContact O-N 2.76Å; D131-K134 PolarHBondContact O-N 2.84Å; D131-K134 VanDerWaalsContact O-N 3.16Å; D131-R135 WeakPolarHBondContact O-CB 3.34Å; D131-R135 PolarHBondContact O-N 3.01Å |
| 132 | A | 93.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V123 F125 D128 R135 I136 | V123-A132 HydrophobicContact CB-CB 4.11Å; V123-A132 HydrophobicContact CG2-CB 4.16Å; F125-A132 HydrophobicContact CD1-CB 3.65Å; F125-A132 HydrophobicContact CE1-CB 3.9Å; D128-A132 PolarHBondContact O-N 3.4Å; D128-A132 VanDerWaalsContact O-N 3.09Å; A132-R135 PolarHBondContact O-N 2.75Å; A132-I136 WeakPolarHBondContact O-CB 3.27Å; A132-I136 VanDerWaalsContact O-CG1 3.32Å; A132-I136 WeakPolarHBondContact O-CG1 3.44Å; A132-I136 PolarHBondContact O-N 2.74Å |
| 133 | G | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P129 E130 D131 R135 I136 N137 | P129-G133 PolarHBondContact O-N 3.18Å; E130-G133 PolarHBondContact O-N 2.82Å; D131-G133 VanDerWaalsContact C-N 3.29Å; D131-G133 PolarHBondContact O-N 2.76Å; G133-R135 PolarHBondContact O-N 3.06Å; G133-I136 PolarHBondContact O-N 3.08Å; G133-N137 WeakPolarHBondContact O-CB 3.41Å; G133-N137 PolarHBondContact O-N 3.37Å; G133-N137 PolarHBondContact O-ND2 3.31Å |
| 134 | K | 94 | Very high | 91.8 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.5 | -72.6 | 170.1 | -173.6 | 156.9 | 0 | 111.7 | E130 D131 N137 Q138 | E130-K134 WeakPolarHBondContact O-CG 3.18Å; E130-K134 PolarHBondContact O-N 3.04Å; E130-K134 VanDerWaalsContact OE1-CE 3.27Å; E130-K134 WeakPolarHBondContact OE1-CE 3.16Å; E130-K134 IonicContact OE1-NZ 3.85Å; E130-K134 PolarHBondContact OE1-NZ 2.79Å; D131-K134 PolarHBondContact O-N 2.84Å; D131-K134 VanDerWaalsContact O-N 3.16Å; K134-N137 PolarHBondContact O-N 3.22Å; K134-Q138 WeakPolarHBondContact O-CB 3.5Å; K134-Q138 VanDerWaalsContact O-CG 3.27Å; K134-Q138 WeakPolarHBondContact O-CG 3.47Å; K134-Q138 PolarHBondContact O-N 3.18Å |
| 135 | R | 94.2 | Very high | 91.6 | Very high | 125 Ų | 125 | 56 Ų | 56 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 179.4 | -172.7 | 170 | -175.6 | 125.1 | -2.8 | 112.1 | E121 D131 A132 G133 Q138 W139 | E121-R135 IonicContact OE1-CZ 3.05Å; E121-R135 IonicContact OE1-NE 2.64Å; E121-R135 PolarHBondContact OE1-NE 2.89Å; E121-R135 IonicContact OE1-NH2 2.66Å; E121-R135 PolarHBondContact OE1-NH2 3.16Å; D131-R135 WeakPolarHBondContact O-CB 3.34Å; D131-R135 PolarHBondContact O-N 3.01Å; A132-R135 PolarHBondContact O-N 2.75Å; G133-R135 PolarHBondContact O-N 3.06Å; R135-Q138 PolarHBondContact O-N 3.4Å; R135-W139 PolarHBondContact O-N 2.98Å |
| 136 | I | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.4 | -74 | 167.1 | 0 | 0 | 0 | 111.4 | F97 F125 A132 G133 Q138 W139 A140 L151 F152 L157 L164 I166 | F97-I136 HydrophobicContact CB-CD1 4.13Å; F97-I136 HydrophobicContact CD1-CD1 4.19Å; F97-I136 HydrophobicContact CD1-CG1 3.65Å; F97-I136 HydrophobicContact CD2-CD1 4.37Å; F97-I136 HydrophobicContact CD2-CG1 4.15Å; F97-I136 HydrophobicContact CE1-CG1 3.8Å; F97-I136 HydrophobicContact CE2-CG1 4.3Å; F97-I136 HydrophobicContact CG-CD1 3.97Å; F97-I136 HydrophobicContact CG-CG1 3.83Å; F97-I136 HydrophobicContact CZ-CG1 4.12Å; F125-I136 HydrophobicContact CE1-CD1 3.88Å; F125-I136 HydrophobicContact CZ-CD1 4.04Å; A132-I136 WeakPolarHBondContact O-CB 3.27Å; A132-I136 VanDerWaalsContact O-CG1 3.32Å; A132-I136 WeakPolarHBondContact O-CG1 3.44Å; A132-I136 PolarHBondContact O-N 2.74Å; G133-I136 PolarHBondContact O-N 3.08Å; I136-Q138 VanDerWaalsContact C-N 3.35Å; I136-Q138 PolarHBondContact O-N 3.41Å; I136-W139 WeakPolarHBondContact O-CB 3.37Å; I136-W139 PolarHBondContact O-N 2.91Å; I136-A140 PolarHBondContact O-N 3.44Å; I136-L151 HydrophobicContact CG2-CD1 3.97Å; I136-F152 HydrophobicContact CB-CZ 4.12Å; I136-F152 HydrophobicContact CD1-CZ 4.2Å; I136-F152 HydrophobicContact CG2-CE1 3.64Å; I136-F152 HydrophobicContact CG2-CZ 3.63Å; I136-L157 HydrophobicContact CD1-CD1 4.33Å; I136-L164 HydrophobicContact CD1-CD1 4.04Å; I136-I166 HydrophobicContact CB-CD1 4.35Å; I136-I166 HydrophobicContact CD1-CD1 4.3Å; I136-I166 HydrophobicContact CG1-CD1 4.35Å; I136-I166 HydrophobicContact CG2-CD1 3.15Å |
| 137 | N | 93 | Very high | 91.1 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.7 | -78.2 | -29.1 | 0 | 0 | 0 | 111.9 | G133 K134 A140 S141 L151 F152 | G133-N137 WeakPolarHBondContact O-CB 3.41Å; G133-N137 PolarHBondContact O-N 3.37Å; G133-N137 PolarHBondContact O-ND2 3.31Å; K134-N137 PolarHBondContact O-N 3.22Å; N137-A140 PolarHBondContact O-N 3.13Å; N137-S141 VanDerWaalsContact O-CB 3.3Å; N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 2.93Å; N137-L151 WeakPolarHBondContact OD1-CB 3.47Å; N137-L151 PolarHBondContact OD1-N 3.08Å; N137-F152 PolarHBondContact ND2-O 3.21Å |
| 138 | Q | 94.2 | Very high | 90.6 | Very high | 135 Ų | 135 | 48.4 Ų | 48.4 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.9 | -43.3 | 175.2 | -74.1 | 171.7 | 6.7 | 0 | 0 | 112.3 | K134 R135 I136 S141 S142 | K134-Q138 WeakPolarHBondContact O-CB 3.5Å; K134-Q138 VanDerWaalsContact O-CG 3.27Å; K134-Q138 WeakPolarHBondContact O-CG 3.47Å; K134-Q138 PolarHBondContact O-N 3.18Å; R135-Q138 PolarHBondContact O-N 3.4Å; I136-Q138 VanDerWaalsContact C-N 3.35Å; I136-Q138 PolarHBondContact O-N 3.41Å; Q138-S141 PolarHBondContact O-N 3.42Å; Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.42Å |
| 139 | W | 93.2 | Very high | 90.2 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -51.6 | 174.3 | 167.8 | 83.4 | 0 | 0 | 0 | 111.1 | N94 F97 R135 I136 S141 S142 L143 I166 | N94-W139 WeakPolarHBondContact O-CZ2 3.34Å; F97-W139 HydrophobicContact CE2-CD2 4.24Å; F97-W139 AromaticContact CE2-CE3 3.91Å; F97-W139 HydrophobicContact CE2-CE3 3.91Å; F97-W139 HydrophobicContact CE2-CH2 4.33Å; F97-W139 AromaticContact CE2-CZ3 3.98Å; F97-W139 HydrophobicContact CE2-CZ3 3.98Å; F97-W139 HydrophobicContact CZ-CB 4.41Å; F97-W139 AromaticContact CZ-CD2 3.62Å; F97-W139 HydrophobicContact CZ-CD2 3.62Å; F97-W139 AromaticContact CZ-CE3 3.68Å; F97-W139 HydrophobicContact CZ-CE3 3.68Å; F97-W139 AromaticContact CZ-CG 3.96Å; F97-W139 HydrophobicContact CZ-CG 3.96Å; F97-W139 HydrophobicContact CZ-CZ3 4.19Å; R135-W139 PolarHBondContact O-N 2.98Å; I136-W139 WeakPolarHBondContact O-CB 3.37Å; I136-W139 PolarHBondContact O-N 2.91Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.27Å; W139-S142 PolarHBondContact O-N 3.23Å; W139-S142 PolarHBondContact O-OG 3.41Å; W139-L143 HydrophobicContact CD2-CD1 3.89Å; W139-L143 HydrophobicContact CE3-CD1 4.41Å; W139-L143 HydrophobicContact CG-CD1 4.49Å; W139-L143 HydrophobicContact CH2-CD1 3.87Å; W139-L143 HydrophobicContact CZ2-CD1 3.28Å; W139-L143 HydrophobicContact CZ3-CD1 4.39Å; W139-L143 PolarHBondContact O-N 3.39Å; W139-L143 VanDerWaalsContact O-N 3.12Å; W139-I166 HydrophobicContact CH2-CB 4.41Å; W139-I166 HydrophobicContact CH2-CG2 4.37Å; W139-I166 HydrophobicContact CZ3-CB 4Å; W139-I166 HydrophobicContact CZ3-CG2 3.68Å |
| 140 | A | 89.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I136 N137 L143 T144 L151 T168 | I136-A140 PolarHBondContact O-N 3.44Å; N137-A140 PolarHBondContact O-N 3.13Å; A140-L143 PolarHBondContact O-N 2.93Å; A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 VanDerWaalsContact O-CG2 3.28Å; A140-T144 WeakPolarHBondContact O-CG2 3.3Å; A140-T144 PolarHBondContact O-N 2.78Å; A140-T144 VanDerWaalsContact O-N 3.1Å; A140-T144 PolarHBondContact O-OG1 3.34Å; A140-L151 HydrophobicContact CB-CD1 3.39Å; A140-L151 HydrophobicContact CB-CD2 4.17Å; A140-L151 HydrophobicContact CB-CG 3.65Å; A140-T168 HydrophobicContact CB-CG2 4.33Å |
| 141 | S | 91.1 | Very high | 89.5 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 112 | N137 Q138 W139 L143 T144 K145 G146 I148 | N137-S141 VanDerWaalsContact O-CB 3.3Å; N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 2.93Å; Q138-S141 PolarHBondContact O-N 3.42Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.27Å; S141-L143 PolarHBondContact O-N 3.49Å; S141-T144 CarbonylContact O-C 3.51Å; S141-T144 PolarHBondContact O-N 3.24Å; S141-T144 PolarHBondContact O-OG1 3Å; S141-K145 PolarHBondContact O-N 2.81Å; S141-G146 PolarHBondContact O-N 3.43Å; S141-I148 WeakPolarHBondContact CA-O 3.13Å; S141-I148 WeakPolarHBondContact CB-O 3.47Å; S141-I148 PolarHBondContact N-O 2.99Å |
| 142 | S | 91.4 | Very high | 89.1 | Confident | 84 Ų | 84 | 47.3 Ų | 47.3 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.5 | -42.6 | 178.9 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | Q138 W139 T144 K145 | Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.42Å; W139-S142 PolarHBondContact O-N 3.23Å; W139-S142 PolarHBondContact O-OG 3.41Å; S142-T144 VanDerWaalsContact C-N 3.28Å; S142-T144 PolarHBondContact O-N 2.94Å; S142-K145 PolarHBondContact O-N 3.23Å |
| 143 | L | 85.7 | Confident | 88.8 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.7 | -29.3 | 178.6 | -70.1 | 178.5 | 0 | 0 | 0 | 112.9 | M91 W139 A140 S141 | M91-L143 WeakPolarHBondContact CE-O 3.35Å; W139-L143 HydrophobicContact CD2-CD1 3.89Å; W139-L143 HydrophobicContact CE3-CD1 4.41Å; W139-L143 HydrophobicContact CG-CD1 4.49Å; W139-L143 HydrophobicContact CH2-CD1 3.87Å; W139-L143 HydrophobicContact CZ2-CD1 3.28Å; W139-L143 HydrophobicContact CZ3-CD1 4.39Å; W139-L143 PolarHBondContact O-N 3.39Å; W139-L143 VanDerWaalsContact O-N 3.12Å; A140-L143 PolarHBondContact O-N 2.93Å; S141-L143 PolarHBondContact O-N 3.49Å |
| 144 | T | 82.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 19.5 | -174.6 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | A140 S141 S142 G146 K147 I148 | A140-T144 WeakPolarHBondContact O-CB 3.46Å; A140-T144 VanDerWaalsContact O-CG2 3.28Å; A140-T144 WeakPolarHBondContact O-CG2 3.3Å; A140-T144 PolarHBondContact O-N 2.78Å; A140-T144 VanDerWaalsContact O-N 3.1Å; A140-T144 PolarHBondContact O-OG1 3.34Å; S141-T144 CarbonylContact O-C 3.51Å; S141-T144 PolarHBondContact O-N 3.24Å; S141-T144 PolarHBondContact O-OG1 3Å; S142-T144 VanDerWaalsContact C-N 3.28Å; S142-T144 PolarHBondContact O-N 2.94Å; T144-G146 PolarHBondContact O-N 2.61Å; T144-G146 VanDerWaalsContact O-N 3.14Å; T144-K147 VanDerWaalsContact O-CB 3.23Å; T144-K147 WeakPolarHBondContact O-CB 3.31Å; T144-K147 VanDerWaalsContact O-CG 3.25Å; T144-K147 WeakPolarHBondContact O-CG 3.46Å; T144-K147 PolarHBondContact O-N 3.01Å; T144-I148 HydrophobicContact CG2-CB 4.01Å; T144-I148 HydrophobicContact CG2-CD1 3.71Å; T144-I148 HydrophobicContact CG2-CG1 3.92Å; T144-I148 WeakPolarHBondContact OG1-CB 3.41Å; T144-I148 PolarHBondContact OG1-N 2.79Å |
| 145 | K | 86.9 | Confident | 87.6 | Confident | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.457 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 37.7 | -177.7 | -58.1 | 174.1 | -175.7 | 177.4 | 0 | 113 | E89 M91 S141 S142 K147 Y170 E172 | E89-K145 WeakPolarHBondContact OE2-CE 3.43Å; E89-K145 IonicContact OE2-NZ 2.57Å; E89-K145 PolarHBondContact OE2-NZ 2.85Å; M91-K145 HydrophobicContact CE-CD 4.19Å; M91-K145 HydrophobicContact CE-CG 3.99Å; S141-K145 PolarHBondContact O-N 2.81Å; S142-K145 PolarHBondContact O-N 3.23Å; K145-K147 VanDerWaalsContact C-N 3.3Å; K145-K147 PolarHBondContact O-N 2.95Å; K145-Y170 HydrophobicContact CD-CE1 4.44Å; K145-E172 IonicContact NZ-OE2 2.89Å; K145-E172 PolarHBondContact NZ-OE2 2.91Å |
| 146 | G | 87.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S141 T144 Q149 | S141-G146 PolarHBondContact O-N 3.43Å; T144-G146 PolarHBondContact O-N 2.61Å; T144-G146 VanDerWaalsContact O-N 3.14Å; G146-Q149 WeakPolarHBondContact O-CG 3.4Å; G146-Q149 PolarHBondContact O-NE2 2.79Å |
| 147 | K | 84 | Confident | 86.8 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -78.5 | -37.4 | 179.9 | -61.4 | -69.3 | -173.2 | 173.4 | 0 | 112.2 | T144 K145 Y170 I325 V334 | T144-K147 VanDerWaalsContact O-CB 3.23Å; T144-K147 WeakPolarHBondContact O-CB 3.31Å; T144-K147 VanDerWaalsContact O-CG 3.25Å; T144-K147 WeakPolarHBondContact O-CG 3.46Å; T144-K147 PolarHBondContact O-N 3.01Å; K145-K147 VanDerWaalsContact C-N 3.3Å; K145-K147 PolarHBondContact O-N 2.95Å; K147-Y170 HydrophobicContact CB-CD2 4.45Å; K147-Y170 HydrophobicContact CB-CE2 4.41Å; K147-Y170 HydrophobicContact CG-CD2 4.33Å; K147-Y170 HydrophobicContact CG-CE2 3.82Å; K147-I325 WeakPolarHBondContact O-CD1 3.44Å; K147-V334 HydrophobicContact CD-CG1 4.16Å |
| 148 | I | 82.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -101.2 | 89.4 | 169 | -58.6 | 178.2 | 0 | 0 | 0 | 108 | S141 T144 L151 T168 K323 I325 | S141-I148 WeakPolarHBondContact CA-O 3.13Å; S141-I148 WeakPolarHBondContact CB-O 3.47Å; S141-I148 PolarHBondContact N-O 2.99Å; T144-I148 HydrophobicContact CG2-CB 4.01Å; T144-I148 HydrophobicContact CG2-CD1 3.71Å; T144-I148 HydrophobicContact CG2-CG1 3.92Å; T144-I148 WeakPolarHBondContact OG1-CB 3.41Å; T144-I148 PolarHBondContact OG1-N 2.79Å; I148-L151 HydrophobicContact CG2-CD2 3.69Å; I148-L151 HydrophobicContact CG2-CG 4.13Å; I148-T168 HydrophobicContact CD1-CG2 4.17Å; I148-K323 HydrophobicContact CD1-CB 4.23Å; I148-K323 HydrophobicContact CD1-CG 4.1Å; I148-K323 HydrophobicContact CG2-CD 3.79Å; I148-K323 HydrophobicContact CG2-CG 4.35Å; I148-I325 HydrophobicContact CB-CD1 4.42Å; I148-I325 HydrophobicContact CD1-CD1 4.43Å; I148-I325 HydrophobicContact CD1-CG1 4.42Å; I148-I325 HydrophobicContact CG1-CD1 3.45Å; I148-I325 VanDerWaalsContact CG1-CD1 3.45Å; I148-I325 HydrophobicContact CG1-CG1 3.94Å | ||
| 149 | Q | 85.1 | Confident | 86.2 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 64% | 0.64 | 28% | 0.278 | S | S | * | . | trans | -77.7 | -35.4 | -178.8 | -62.5 | -177.4 | -3.6 | 0 | 0 | 112.7 | G146 | G146-Q149 WeakPolarHBondContact O-CG 3.4Å; G146-Q149 PolarHBondContact O-NE2 2.79Å | ||
| 150 | E | 86.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -137.5 | 121.1 | -178.4 | -173.6 | 164 | -148.6 | 0 | 0 | 107.9 | F152 S153 K323 | E150-F152 VanDerWaalsContact CG-O 3.25Å; E150-F152 WeakPolarHBondContact CG-O 3.49Å; E150-S153 WeakPolarHBondContact OE1-CA 3.45Å; E150-K323 PolarHBondContact O-NZ 3.48Å | ||
| 151 | L | 85.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -77.9 | -46.8 | 171 | -71.5 | 169 | 0 | 0 | 0 | 109.6 | I136 N137 A140 I148 I166 T168 N282 A283 K323 | I136-L151 HydrophobicContact CG2-CD1 3.97Å; N137-L151 WeakPolarHBondContact OD1-CB 3.47Å; N137-L151 PolarHBondContact OD1-N 3.08Å; A140-L151 HydrophobicContact CB-CD1 3.39Å; A140-L151 HydrophobicContact CB-CD2 4.17Å; A140-L151 HydrophobicContact CB-CG 3.65Å; I148-L151 HydrophobicContact CG2-CD2 3.69Å; I148-L151 HydrophobicContact CG2-CG 4.13Å; L151-I166 HydrophobicContact CD1-CD1 4.3Å; L151-I166 HydrophobicContact CD1-CG2 3.5Å; L151-T168 HydrophobicContact CD1-CG2 4.49Å; L151-T168 HydrophobicContact CD2-CG2 3.54Å; L151-N282 CarbonylContact O-C 3.56Å; L151-N282 WeakPolarHBondContact O-CA 3.19Å; L151-A283 HydrophobicContact CB-CB 4.3Å; L151-A283 HydrophobicContact CD2-CB 4.44Å; L151-A283 WeakPolarHBondContact O-CB 3.44Å; L151-A283 PolarHBondContact O-N 2.85Å; L151-K323 HydrophobicContact CD2-CB 3.62Å; L151-K323 HydrophobicContact CD2-CD 4.02Å; L151-K323 HydrophobicContact CD2-CG 4.39Å |
| 152 | F | 85.7 | Confident | 85.6 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -149.9 | 156.4 | -179.6 | 51.5 | -92 | 0 | 0 | 0 | 108.6 | I136 N137 E150 S154 S156 L157 I166 L321 | I136-F152 HydrophobicContact CB-CZ 4.12Å; I136-F152 HydrophobicContact CD1-CZ 4.2Å; I136-F152 HydrophobicContact CG2-CE1 3.64Å; I136-F152 HydrophobicContact CG2-CZ 3.63Å; N137-F152 PolarHBondContact ND2-O 3.21Å; E150-F152 VanDerWaalsContact CG-O 3.25Å; E150-F152 WeakPolarHBondContact CG-O 3.49Å; F152-S154 PolarHBondContact O-N 2.94Å; F152-S156 WeakPolarHBondContact CD2-OG 3.46Å; F152-L157 HydrophobicContact CD2-CD2 4.36Å; F152-L157 HydrophobicContact CD2-CG 4.3Å; F152-L157 HydrophobicContact CE2-CD1 3.67Å; F152-L157 HydrophobicContact CE2-CD2 3.78Å; F152-L157 HydrophobicContact CE2-CG 3.56Å; F152-L157 HydrophobicContact CZ-CD1 3.96Å; F152-L157 HydrophobicContact CZ-CD2 4.11Å; F152-L157 HydrophobicContact CZ-CG 4.2Å; F152-I166 HydrophobicContact CE1-CD1 4.31Å; F152-L321 HydrophobicContact CD1-CD1 3.4Å; F152-L321 HydrophobicContact CE1-CD1 3.52Å; F152-L321 HydrophobicContact CG-CD1 4.27Å; F152-L321 HydrophobicContact CZ-CD1 4.48Å |
| 153 | S | 86.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | trans | -53.5 | 125.2 | 171.4 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | E150 Q155 S156 | E150-S153 WeakPolarHBondContact OE1-CA 3.45Å; S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 PolarHBondContact OG-N 3.48Å; S153-S156 WeakPolarHBondContact O-CB 3.41Å; S153-S156 PolarHBondContact O-N 3.28Å; S153-S156 PolarHBondContact O-OG 3.03Å | ||
| 154 | S | 82 | Confident | 86.2 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -57.1 | -18.6 | -179.8 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | F152 S156 | F152-S154 PolarHBondContact O-N 2.94Å; S154-S156 VanDerWaalsContact C-N 3.33Å |
| 155 | Q | 80.2 | Confident | 86.8 | Confident | 152 Ų | 152 | 47.7 Ų | 47.7 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -82.4 | -5.2 | 176.6 | -60.5 | 176.7 | 0.1 | 0 | 0 | 113.9 | S153 L157 | S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 PolarHBondContact OG-N 3.48Å; Q155-L157 VanDerWaalsContact C-N 3.34Å |
| 156 | S | 83.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -82 | -12.1 | -178.2 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | F152 S153 S154 | F152-S156 WeakPolarHBondContact CD2-OG 3.46Å; S153-S156 WeakPolarHBondContact O-CB 3.41Å; S153-S156 PolarHBondContact O-N 3.28Å; S153-S156 PolarHBondContact O-OG 3.03Å; S154-S156 VanDerWaalsContact C-N 3.33Å |
| 157 | L | 86.7 | Confident | 87.5 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | trans | -82.5 | 144.6 | 177.1 | -61.3 | -174.7 | 0 | 0 | 0 | 111 | F125 P129 I136 F152 Q155 L164 | F125-L157 HydrophobicContact CD1-CD1 4.08Å; F125-L157 HydrophobicContact CE1-CD1 3.75Å; P129-L157 HydrophobicContact CB-CB 3.96Å; I136-L157 HydrophobicContact CD1-CD1 4.33Å; F152-L157 HydrophobicContact CD2-CD2 4.36Å; F152-L157 HydrophobicContact CD2-CG 4.3Å; F152-L157 HydrophobicContact CE2-CD1 3.67Å; F152-L157 HydrophobicContact CE2-CD2 3.78Å; F152-L157 HydrophobicContact CE2-CG 3.56Å; F152-L157 HydrophobicContact CZ-CD1 3.96Å; F152-L157 HydrophobicContact CZ-CD2 4.11Å; F152-L157 HydrophobicContact CZ-CG 4.2Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; L157-L164 HydrophobicContact CD1-CD1 4.29Å; L157-L164 HydrophobicContact CD2-CD1 3.65Å | ||
| 158 | S | 84.6 | Confident | 87.8 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | trans | -118.9 | 157.1 | -178.2 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | D160 T161 | S158-D160 WeakPolarHBondContact CB-OD1 3.16Å; S158-D160 PolarHBondContact O-N 3.19Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 PolarHBondContact OG-OD1 2.83Å; S158-T161 PolarHBondContact N-OG1 2.92Å; S158-T161 VanDerWaalsContact O-CB 3.24Å; S158-T161 WeakPolarHBondContact O-CB 3.25Å; S158-T161 PolarHBondContact O-N 2.77Å; S158-T161 PolarHBondContact O-OG1 2.86Å | ||
| 159 | T | 89.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 38.5 Ų | 38.5 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.1 | -176.7 | 53 | 0 | 0 | 0 | 0 | 114.2 | F125 Q126 P129 | F125-T159 WeakPolarHBondContact O-CA 3.37Å; Q126-T159 WeakPolarHBondContact CG-O 3.39Å; Q126-T159 WeakPolarHBondContact O-CG2 3.5Å; P129-T159 HydrophobicContact CG-CG2 4.12Å |
| 160 | D | 86.9 | Confident | 88.3 | Confident | 112 Ų | 112 | 32.6 Ų | 32.6 | 60% | 0.599 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.8 | 173.2 | 66.6 | -22.2 | 0 | 0 | 0 | 113.3 | S158 S162 | S158-D160 WeakPolarHBondContact CB-OD1 3.16Å; S158-D160 PolarHBondContact O-N 3.19Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 PolarHBondContact OG-OD1 2.83Å; D160-S162 PolarHBondContact O-N 3.38Å |
| 161 | T | 85.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | trans | -67.7 | 112.8 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | F125 S158 L164 R318 | F125-T161 WeakPolarHBondContact CB-O 3.24Å; F125-T161 HydrophobicContact CD1-CG2 4.03Å; F125-T161 HydrophobicContact CD2-CG2 3.86Å; F125-T161 VanDerWaalsContact CD2-O 3.25Å; F125-T161 WeakPolarHBondContact CD2-O 3.07Å; F125-T161 HydrophobicContact CE1-CG2 4.07Å; F125-T161 HydrophobicContact CE2-CG2 3.88Å; F125-T161 HydrophobicContact CG-CG2 3.94Å; F125-T161 HydrophobicContact CZ-CG2 3.99Å; S158-T161 PolarHBondContact N-OG1 2.92Å; S158-T161 VanDerWaalsContact O-CB 3.24Å; S158-T161 WeakPolarHBondContact O-CB 3.25Å; S158-T161 PolarHBondContact O-N 2.77Å; S158-T161 PolarHBondContact O-OG1 2.86Å; T161-L164 HydrophobicContact CG2-CD1 4.02Å; T161-L164 HydrophobicContact CG2-CD2 3.84Å; T161-L164 HydrophobicContact CG2-CG 3.66Å; T161-R318 HydrophobicContact CG2-CB 4.17Å; T161-R318 HydrophobicContact CG2-CG 4.11Å | ||
| 162 | S | 88.7 | Confident | 88.8 | Confident | 20 Ų | 20 | 30 Ų | 30 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | trans | -92.8 | -47.4 | 178.1 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | T98 A99 D160 C316 | T98-S162 CarbonylContact C-O 3.51Å; T98-S162 WeakPolarHBondContact CA-O 3.45Å; A99-S162 PolarHBondContact N-O 2.98Å; D160-S162 PolarHBondContact O-N 3.38Å; S162-C316 PolarHBondContact OG-O 2.93Å | ||
| 163 | V | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 129.6 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | L96 F97 T98 F315 I317 R318 | L96-V163 HydrophobicContact CD1-CG1 3.57Å; L96-V163 HydrophobicContact CG-CG1 4.41Å; F97-V163 CarbonylContact O-C 3.4Å; F97-V163 WeakPolarHBondContact O-CA 3.35Å; T98-V163 HydrophobicContact CG2-CG1 4.3Å; T98-V163 HydrophobicContact CG2-CG2 4.02Å; V163-F315 HydrophobicContact CG2-CD2 3.61Å; V163-F315 HydrophobicContact CG2-CE2 3.99Å; V163-I317 HydrophobicContact CG1-CG1 4.2Å; V163-R318 WeakPolarHBondContact O-CB 3.02Å; V163-R318 PolarHBondContact O-N 2.62Å |
| 164 | L | 95.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.8 | 169.3 | -63 | 177.6 | 0 | 0 | 0 | 109.7 | F97 F125 I136 L157 T161 I166 R318 D319 | F97-L164 HydrophobicContact CB-CB 4.42Å; F97-L164 PolarHBondContact N-O 2.95Å; F97-L164 PolarHBondContact O-N 3Å; F125-L164 HydrophobicContact CE1-CD1 3.8Å; F125-L164 HydrophobicContact CE1-CG 4.5Å; F125-L164 HydrophobicContact CZ-CB 4.43Å; F125-L164 HydrophobicContact CZ-CD1 3.63Å; F125-L164 HydrophobicContact CZ-CG 3.92Å; I136-L164 HydrophobicContact CD1-CD1 4.04Å; L157-L164 HydrophobicContact CD1-CD1 4.29Å; L157-L164 HydrophobicContact CD2-CD1 3.65Å; T161-L164 HydrophobicContact CG2-CD1 4.02Å; T161-L164 HydrophobicContact CG2-CD2 3.84Å; T161-L164 HydrophobicContact CG2-CG 3.66Å; L164-I166 HydrophobicContact CB-CG1 4.44Å; L164-R318 HydrophobicContact CD2-CB 4.23Å; L164-R318 HydrophobicContact CD2-CG 4.36Å; L164-D319 HydrophobicContact CD2-CB 3.63Å |
| 165 | V | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.1 | 167.9 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | A39 M42 I43 G95 L96 I317 D319 I320 L321 | A39-V165 HydrophobicContact CB-CG1 3.79Å; M42-V165 HydrophobicContact CE-CG1 4.47Å; I43-V165 HydrophobicContact CD1-CB 4.5Å; I43-V165 HydrophobicContact CD1-CG1 4.48Å; I43-V165 HydrophobicContact CD1-CG2 4.02Å; I43-V165 HydrophobicContact CG1-CG2 3.94Å; G95-V165 CarbonylContact O-C 3.56Å; G95-V165 WeakPolarHBondContact O-CA 3.4Å; L96-V165 HydrophobicContact CD1-CG2 3.81Å; V165-I317 HydrophobicContact CG2-CD1 4.26Å; V165-I317 HydrophobicContact CG2-CG2 4.48Å; V165-D319 PolarHBondContact N-O 3.1Å; V165-I320 HydrophobicContact CB-CG1 4.16Å; V165-I320 HydrophobicContact CB-CG2 4.22Å; V165-I320 HydrophobicContact CG1-CG2 4.33Å; V165-I320 CarbonylContact O-C 3.34Å; V165-I320 VanDerWaalsContact O-CA 3.27Å; V165-I320 WeakPolarHBondContact O-CA 3.42Å; V165-L321 PolarHBondContact O-N 3.29Å |
| 166 | I | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.1 | -174.6 | -54.6 | -175.3 | 0 | 0 | 0 | 109.3 | N94 G95 F97 I136 W139 L151 F152 L164 T168 L321 | N94-I166 WeakPolarHBondContact CA-O 3.25Å; G95-I166 PolarHBondContact N-O 3.48Å; G95-I166 PolarHBondContact O-N 3.33Å; F97-I166 HydrophobicContact CD2-CD1 3.61Å; F97-I166 HydrophobicContact CD2-CG1 3.98Å; F97-I166 HydrophobicContact CE2-CB 4.25Å; F97-I166 HydrophobicContact CE2-CD1 3.67Å; F97-I166 HydrophobicContact CE2-CG1 4.13Å; I136-I166 HydrophobicContact CB-CD1 4.35Å; I136-I166 HydrophobicContact CD1-CD1 4.3Å; I136-I166 HydrophobicContact CG1-CD1 4.35Å; I136-I166 HydrophobicContact CG2-CD1 3.15Å; W139-I166 HydrophobicContact CH2-CB 4.41Å; W139-I166 HydrophobicContact CH2-CG2 4.37Å; W139-I166 HydrophobicContact CZ3-CB 4Å; W139-I166 HydrophobicContact CZ3-CG2 3.68Å; L151-I166 HydrophobicContact CD1-CD1 4.3Å; L151-I166 HydrophobicContact CD1-CG2 3.5Å; F152-I166 HydrophobicContact CE1-CD1 4.31Å; L164-I166 HydrophobicContact CB-CG1 4.44Å; I166-T168 HydrophobicContact CG2-CG2 4.44Å; I166-L321 WeakPolarHBondContact CA-O 3.46Å; I166-L321 HydrophobicContact CG1-CB 4.49Å |
| 167 | T | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.2 | 175.6 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | A39 G93 L321 H322 K323 | A39-T167 HydrophobicContact CB-CG2 3.22Å; G93-T167 CarbonylContact O-C 3.56Å; G93-T167 WeakPolarHBondContact O-CA 3.28Å; T167-L321 PolarHBondContact N-O 2.7Å; T167-L321 PolarHBondContact OG1-O 3.28Å; T167-H322 WeakPolarHBondContact O-CA 3.23Å; T167-H322 PolarHBondContact OG1-ND1 3.2Å; T167-K323 PolarHBondContact O-N 2.97Å |
| 168 | T | 91.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.8 | 173.5 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | N35 G93 A140 I148 L151 I166 K323 | N35-T168 PolarHBondContact ND2-O 3.26Å; G93-T168 PolarHBondContact N-O 3.36Å; G93-T168 PolarHBondContact O-N 2.86Å; G93-T168 PolarHBondContact O-OG1 3Å; A140-T168 HydrophobicContact CB-CG2 4.33Å; I148-T168 HydrophobicContact CD1-CG2 4.17Å; L151-T168 HydrophobicContact CD1-CG2 4.49Å; L151-T168 HydrophobicContact CD2-CG2 3.54Å; I166-T168 HydrophobicContact CG2-CG2 4.44Å; T168-K323 WeakPolarHBondContact CA-O 3.48Å |
| 169 | T | 89.7 | Confident | 92.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123 | 174.2 | -44.8 | 0 | 0 | 0 | 0 | 109 | S32 N35 I90 M91 F92 K323 F377 | S32-T169 VanDerWaalsContact CB-OG1 3.29Å; S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; S32-T169 PolarHBondContact OG-OG1 3.44Å; N35-T169 WeakPolarHBondContact CB-OG1 3.35Å; N35-T169 PolarHBondContact ND2-OG1 3.39Å; I90-T169 HydrophobicContact CD1-CG2 4.29Å; I90-T169 HydrophobicContact CG1-CG2 4.25Å; M91-T169 WeakPolarHBondContact O-CA 3.35Å; F92-T169 HydrophobicContact CD1-CG2 3.58Å; F92-T169 HydrophobicContact CE1-CG2 3.53Å; F92-T169 HydrophobicContact CZ-CG2 4.48Å; T169-K323 PolarHBondContact N-O 3.2Å; T169-F377 HydrophobicContact CG2-CE1 3.78Å; T169-F377 HydrophobicContact CG2-CE2 3.99Å; T169-F377 HydrophobicContact CG2-CZ 3.26Å |
| 170 | Y | 88.4 | Confident | 92.5 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.8 | 171.6 | 173.5 | -98.5 | 0 | 0 | 0 | 109 | I90 M91 K145 K147 E172 V334 | I90-Y170 CarbonylContact C-O 3.6Å; I90-Y170 WeakPolarHBondContact CA-O 3.35Å; I90-Y170 WeakPolarHBondContact CG1-O 3.3Å; M91-Y170 HydrophobicContact CE-CD1 3.26Å; M91-Y170 HydrophobicContact CE-CE1 3.79Å; M91-Y170 HydrophobicContact CE-CG 3.86Å; M91-Y170 HydrophobicContact CG-CD1 4.46Å; M91-Y170 PolarHBondContact N-O 3.3Å; M91-Y170 PolarHBondContact O-N 2.89Å; K145-Y170 HydrophobicContact CD-CE1 4.44Å; K147-Y170 HydrophobicContact CB-CD2 4.45Å; K147-Y170 HydrophobicContact CB-CE2 4.41Å; K147-Y170 HydrophobicContact CG-CD2 4.33Å; K147-Y170 HydrophobicContact CG-CE2 3.82Å; Y170-E172 HydrophobicContact CE1-CB 3.64Å; Y170-E172 WeakPolarHBondContact OH-CB 3.27Å; Y170-E172 PolarHBondContact OH-OE2 2.9Å; Y170-V334 HydrophobicContact CE2-CB 4.37Å; Y170-V334 HydrophobicContact CE2-CG1 4.02Å |
| 171 | F | 90.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.7 | 172.2 | -179.7 | -82.5 | 0 | 0 | 0 | 109.4 | V88 I90 F225 F230 V333 I368 F377 | V88-F171 HydrophobicContact CG1-CD2 4.4Å; V88-F171 HydrophobicContact CG1-CE2 3.55Å; V88-F171 HydrophobicContact CG1-CZ 3.76Å; V88-F171 HydrophobicContact CG2-CZ 4.49Å; I90-F171 HydrophobicContact CB-CD2 4.05Å; I90-F171 HydrophobicContact CD1-CD2 4.12Å; I90-F171 HydrophobicContact CG1-CD2 4.17Å; F171-F225 HydrophobicContact CE1-CD1 4.38Å; F171-F225 HydrophobicContact CE1-CD2 4.45Å; F171-F225 AromaticContact CE1-CE1 3.85Å; F171-F225 HydrophobicContact CE1-CE1 3.85Å; F171-F225 AromaticContact CE1-CE2 3.94Å; F171-F225 HydrophobicContact CE1-CE2 3.94Å; F171-F225 AromaticContact CE1-CZ 3.61Å; F171-F225 HydrophobicContact CE1-CZ 3.61Å; F171-F225 HydrophobicContact CZ-CD1 4.49Å; F171-F225 HydrophobicContact CZ-CD2 4Å; F171-F225 HydrophobicContact CZ-CE1 4.31Å; F171-F225 AromaticContact CZ-CE2 3.8Å; F171-F225 HydrophobicContact CZ-CE2 3.8Å; F171-F225 HydrophobicContact CZ-CG 4.35Å; F171-F225 AromaticContact CZ-CZ 3.97Å; F171-F225 HydrophobicContact CZ-CZ 3.97Å; F171-F230 HydrophobicContact CE2-CB 4.5Å; F171-F230 AromaticContact CE2-CD1 3.84Å; F171-F230 HydrophobicContact CE2-CD1 3.84Å; F171-F230 HydrophobicContact CE2-CE1 4.23Å; F171-F230 HydrophobicContact CE2-CG 4.15Å; F171-F230 HydrophobicContact CZ-CB 4.36Å; F171-F230 HydrophobicContact CZ-CD1 4.5Å; F171-F230 HydrophobicContact CZ-CG 4.47Å; F171-V333 HydrophobicContact CD1-CB 3.99Å; F171-V333 HydrophobicContact CD1-CG1 3.64Å; F171-V333 HydrophobicContact CE1-CB 3.99Å; F171-V333 HydrophobicContact CE1-CG1 4.15Å; F171-I368 HydrophobicContact CB-CD1 4.2Å; F171-I368 HydrophobicContact CD1-CD1 3.42Å; F171-I368 VanDerWaalsContact CD1-CD1 3.42Å; F171-I368 HydrophobicContact CD2-CD1 4.18Å; F171-I368 HydrophobicContact CD2-CG2 4.32Å; F171-I368 HydrophobicContact CE1-CD1 3.72Å; F171-I368 HydrophobicContact CE2-CD1 4.43Å; F171-I368 HydrophobicContact CE2-CG2 3.9Å; F171-I368 HydrophobicContact CG-CD1 3.67Å; F171-I368 HydrophobicContact CZ-CD1 4.22Å; F171-I368 HydrophobicContact CZ-CG2 3.99Å; F171-F377 HydrophobicContact CB-CE2 3.65Å; F171-F377 HydrophobicContact CB-CZ 3.81Å; F171-F377 HydrophobicContact CD2-CE2 4.41Å; F171-F377 HydrophobicContact CG-CE2 4.25Å |
| 172 | E | 90.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 20% | 0.201 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127 | 170.9 | 168.4 | 165.5 | -156.8 | 0 | 0 | 107.5 | V88 E89 K145 Y170 V333 V334 | V88-E172 CarbonylContact C-O 3.51Å; V88-E172 VanDerWaalsContact CA-O 3.3Å; V88-E172 WeakPolarHBondContact CA-O 3.33Å; E89-E172 PolarHBondContact N-O 3.23Å; E89-E172 PolarHBondContact O-N 3.09Å; K145-E172 IonicContact NZ-OE2 2.89Å; K145-E172 PolarHBondContact NZ-OE2 2.91Å; Y170-E172 HydrophobicContact CE1-CB 3.64Å; Y170-E172 WeakPolarHBondContact OH-CB 3.27Å; Y170-E172 PolarHBondContact OH-OE2 2.9Å; E172-V333 CarbonylContact C-O 3.54Å; E172-V333 VanDerWaalsContact CA-O 3.27Å; E172-V333 WeakPolarHBondContact CA-O 3.42Å; E172-V334 WeakPolarHBondContact CB-O 3.37Å; E172-V334 WeakPolarHBondContact CG-O 3.44Å; E172-V334 VanDerWaalsContact OE1-O 3.1Å |
| 173 | G | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 125.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G87 F225 G332 V333 | G87-G173 CarbonylContact O-C 3.55Å; G87-G173 VanDerWaalsContact O-CA 3.28Å; G87-G173 WeakPolarHBondContact O-CA 3.42Å; G173-F225 VanDerWaalsContact C-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CD1 3.32Å; G173-F225 WeakPolarHBondContact O-CE1 3.49Å; G173-G332 CarbonylContact O-C 3.56Å; G173-G332 WeakPolarHBondContact O-CA 3.16Å; G173-V333 PolarHBondContact N-O 3.46Å; G173-V333 PolarHBondContact O-N 2.95Å |
| 174 | M | 95.5 | Very high | 93 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 138.5 | 173.3 | -64.9 | 179.6 | 177.1 | 0 | 0 | 110.1 | G87 F225 K226 Q331 | G87-M174 PolarHBondContact O-N 3.46Å; M174-F225 CarbonylContact O-C 3.52Å; M174-F225 WeakPolarHBondContact O-CA 3.39Å; M174-F225 WeakPolarHBondContact O-CB 3.4Å; M174-F225 WeakPolarHBondContact O-CD1 3.38Å; M174-K226 HydrophobicContact CB-CD 4.03Å; M174-K226 HydrophobicContact CB-CG 4.02Å; M174-K226 PolarHBondContact O-N 2.58Å; M174-K226 HydrophobicContact SD-CD 4.39Å; M174-Q331 WeakPolarHBondContact CA-O 3.45Å |
| 175 | W | 96.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -57.4 | 144.8 | 170.8 | -57.4 | 126.1 | 0 | 0 | 0 | 110.3 | L177 F179 I223 F225 K226 L232 V328 N329 E330 Q331 G332 V333 | W175-L177 VanDerWaalsContact C-N 3.29Å; W175-L177 VanDerWaalsContact CB-O 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.28Å; W175-F179 AromaticContact CD1-CD2 3.82Å; W175-F179 AromaticContact NE1-CD2 3.78Å; W175-F179 AromaticContact NE1-CE2 3.8Å; W175-I223 HydrophobicContact CD2-CG2 4.27Å; W175-I223 HydrophobicContact CE3-CB 4.49Å; W175-I223 HydrophobicContact CE3-CG2 3.63Å; W175-I223 HydrophobicContact CZ3-CB 4.29Å; W175-I223 HydrophobicContact CZ3-CG2 3.89Å; W175-F225 AromaticContact CE3-CD1 3.87Å; W175-F225 HydrophobicContact CE3-CD1 3.87Å; W175-F225 AromaticContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CZ 4.29Å; W175-F225 AromaticContact CH2-CE1 3.74Å; W175-F225 HydrophobicContact CH2-CE1 3.74Å; W175-F225 AromaticContact CH2-CZ 3.87Å; W175-F225 HydrophobicContact CH2-CZ 3.87Å; W175-F225 AromaticContact CZ3-CD1 3.88Å; W175-F225 HydrophobicContact CZ3-CD1 3.88Å; W175-F225 AromaticContact CZ3-CE1 3.27Å; W175-F225 HydrophobicContact CZ3-CE1 3.27Å; W175-F225 HydrophobicContact CZ3-CE2 4.2Å; W175-F225 AromaticContact CZ3-CZ 3.46Å; W175-F225 HydrophobicContact CZ3-CZ 3.46Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.46Å; W175-K226 WeakPolarHBondContact O-CG 3.39Å; W175-L232 HydrophobicContact CH2-CB 4.01Å; W175-L232 HydrophobicContact CH2-CD2 3.83Å; W175-L232 HydrophobicContact CH2-CG 4.42Å; W175-L232 HydrophobicContact CZ3-CB 3.84Å; W175-L232 HydrophobicContact CZ3-CD2 4.43Å; W175-V328 HydrophobicContact CH2-CG1 4.3Å; W175-V328 HydrophobicContact CZ2-CG1 3.72Å; W175-N329 PolarHBondContact NE1-O 3.41Å; W175-E330 VanDerWaalsContact CD1-O 3.29Å; W175-Q331 PolarHBondContact N-O 3.28Å; W175-G332 VanDerWaalsContact CD1-N 3.27Å; W175-G332 VanDerWaalsContact CE2-CA 3.45Å; W175-G332 VanDerWaalsContact NE1-CA 3.29Å; W175-G332 VanDerWaalsContact NE1-N 3.16Å; W175-V333 HydrophobicContact CH2-CG2 3.7Å; W175-V333 HydrophobicContact CZ2-CG2 4.14Å |
| 176 | D | 95.8 | Very high | 92.8 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -58.2 | -48.3 | 168.7 | -176.2 | 47.7 | 0 | 0 | 0 | 110 | P224 | D176-P224 HydrophobicContact CB-CB 4.16Å; D176-P224 HydrophobicContact CB-CG 4.01Å; D176-P224 PolarHBondContact N-O 2.92Å |
| 177 | L | 95.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 45 Ų | 45 | 45% | 0.445 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -113.7 | 109.9 | 168.9 | -174.3 | 65.5 | 0 | 0 | 0 | 110 | W175 M204 | W175-L177 VanDerWaalsContact C-N 3.29Å; W175-L177 VanDerWaalsContact CB-O 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.28Å; L177-M204 HydrophobicContact CD2-SD 3.97Å; L177-M204 HydrophobicContact CG-SD 4.34Å; L177-M204 WeakPolarHBondContact O-CE 3.41Å |
| 178 | P | 94.5 | Very high | 93 | Very high | 45 Ų | 45 | 49 Ų | 49 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 151.7 | 178.1 | 28.9 | -34.4 | 0 | 0 | 0 | 112.2 | E330 | P178-E330 CarbonylContact C-O 3.48Å; P178-E330 WeakPolarHBondContact CA-O 3.29Å; P178-E330 WeakPolarHBondContact CB-O 3.3Å |
| 179 | F | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -72 | 141.4 | 170.8 | -62.3 | -100.8 | 0 | 0 | 0 | 109.8 | W175 Q181 M202 M204 L271 L273 E330 | W175-F179 AromaticContact CD1-CD2 3.82Å; W175-F179 AromaticContact NE1-CD2 3.78Å; W175-F179 AromaticContact NE1-CE2 3.8Å; F179-Q181 PolarHBondContact O-N 3.34Å; F179-M202 HydrophobicContact CB-CB 4.22Å; F179-M202 HydrophobicContact CD1-CB 3.58Å; F179-M202 HydrophobicContact CD2-CB 4.49Å; F179-M202 HydrophobicContact CD2-CE 4.14Å; F179-M202 HydrophobicContact CD2-SD 4.3Å; F179-M202 HydrophobicContact CE1-CB 4.02Å; F179-M202 HydrophobicContact CE2-CE 4.03Å; F179-M202 HydrophobicContact CG-CB 3.86Å; F179-M202 HydrophobicContact CG-SD 4.4Å; F179-M202 HydrophobicContact CZ-CE 4.36Å; F179-M204 HydrophobicContact CB-CE 4.05Å; F179-M204 HydrophobicContact CD1-CB 4.13Å; F179-M204 HydrophobicContact CD1-CE 3.31Å; F179-M204 HydrophobicContact CD1-CG 3.98Å; F179-M204 HydrophobicContact CD1-SD 4.49Å; F179-M204 HydrophobicContact CD2-CE 3.41Å; F179-M204 VanDerWaalsContact CD2-CE 3.41Å; F179-M204 HydrophobicContact CE1-CB 4.4Å; F179-M204 HydrophobicContact CE1-CE 3.45Å; F179-M204 VanDerWaalsContact CE1-CE 3.45Å; F179-M204 HydrophobicContact CE1-CG 3.79Å; F179-M204 HydrophobicContact CE1-SD 4.36Å; F179-M204 HydrophobicContact CE2-CE 3.54Å; F179-M204 HydrophobicContact CG-CE 3.29Å; F179-M204 HydrophobicContact CZ-CE 3.56Å; F179-L271 HydrophobicContact CE1-CD2 4.14Å; F179-L271 HydrophobicContact CE1-CG 4.26Å; F179-L271 HydrophobicContact CZ-CD2 3.78Å; F179-L271 HydrophobicContact CZ-CG 4.29Å; F179-L273 HydrophobicContact CE1-CB 4.49Å; F179-L273 HydrophobicContact CE2-CD2 4.45Å; F179-L273 HydrophobicContact CZ-CB 4.15Å; F179-L273 HydrophobicContact CZ-CD2 4.23Å; F179-E330 HydrophobicContact CB-CB 3.87Å; F179-E330 HydrophobicContact CB-CG 3.88Å; F179-E330 PolarHBondContact N-O 3.42Å; F179-E330 WeakPolarHBondContact O-CB 3.42Å |
| 180 | L | 92.2 | Very high | 93.5 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 123.1 | 172.3 | -64.9 | 177 | 0 | 0 | 0 | 109.3 | G182 S183 | L180-G182 PolarHBondContact O-N 3.18Å; L180-G182 VanDerWaalsContact O-N 3.13Å; L180-S183 VanDerWaalsContact O-CB 3.32Å; L180-S183 WeakPolarHBondContact O-CB 3.34Å; L180-S183 PolarHBondContact O-N 2.79Å |
| 181 | Q | 88.3 | Confident | 93.7 | Very high | 131 Ų | 131 | 53.5 Ų | 53.5 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.1 | -178.3 | -67.5 | -176.7 | 5.5 | 0 | 0 | 113.4 | F179 S183 S184 E330 | F179-Q181 PolarHBondContact O-N 3.34Å; Q181-S183 PolarHBondContact O-N 3.41Å; Q181-S184 PolarHBondContact O-N 3.24Å; Q181-E330 HydrophobicContact CG-CB 4.25Å; Q181-E330 HydrophobicContact CG-CG 4.2Å |
| 182 | G | 90.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 87% | 0.866 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L180 | L180-G182 PolarHBondContact O-N 3.18Å; L180-G182 VanDerWaalsContact O-N 3.13Å |
| 183 | S | 93.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -88.8 | -16.1 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | L180 Q181 H185 Y203 | L180-S183 VanDerWaalsContact O-CB 3.32Å; L180-S183 WeakPolarHBondContact O-CB 3.34Å; L180-S183 PolarHBondContact O-N 2.79Å; Q181-S183 PolarHBondContact O-N 3.41Å; S183-H185 PolarHBondContact O-N 2.99Å; S183-H185 PolarHBondContact O-ND1 2.81Å; S183-Y203 WeakPolarHBondContact CB-O 3.33Å |
| 184 | S | 93.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | trans | -69.7 | 127.4 | 178 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | Q181 L201 E330 | Q181-S184 PolarHBondContact O-N 3.24Å; S184-L201 VanDerWaalsContact CA-O 3.28Å; S184-L201 WeakPolarHBondContact CA-O 3.48Å; S184-E330 PolarHBondContact OG-OE1 3.07Å | ||
| 185 | H | 93.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.8 | -177 | 55.5 | -81.3 | 0 | 0 | 0 | 111.2 | S183 L201 Y272 | S183-H185 PolarHBondContact O-N 2.99Å; S183-H185 PolarHBondContact O-ND1 2.81Å; H185-L201 PolarHBondContact N-O 3.22Å; H185-L201 PolarHBondContact O-N 2.86Å; H185-Y272 AromaticContact CE1-CD1 3.91Å; H185-Y272 AromaticContact CE1-CE1 3.91Å |
| 186 | E | 95.4 | Very high | 93.2 | Very high | 108 Ų | 108 | 63.6 Ų | 63.6 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137.1 | 175.6 | -61.7 | -53.1 | 148.1 | 0 | 0 | 110.5 | N198 V199 K200 | E186-N198 PolarHBondContact OE2-OD1 3.4Å; E186-V199 WeakPolarHBondContact CA-O 3.31Å; E186-K200 PolarHBondContact OE2-N 3.42Å |
| 187 | S | 95.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 159.5 | 177.8 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | N198 V199 | S187-N198 WeakPolarHBondContact O-CA 3.25Å; S187-V199 PolarHBondContact N-O 3.34Å; S187-V199 PolarHBondContact O-N 3.03Å |
| 188 | D | 95.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.4 | 170.3 | -67.1 | -20.7 | 0 | 0 | 0 | 110.8 | T196 M197 | D188-T196 HydrophobicContact CB-CG2 4.45Å; D188-M197 CarbonylContact C-O 3.4Å |
| 189 | F | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.9 | 167.2 | -172.6 | -83.8 | 0 | 0 | 0 | 109.4 | T196 M197 V199 P274 N361 H362 F364 P384 | F189-T196 CarbonylContact O-C 3.52Å; F189-T196 VanDerWaalsContact O-CA 3.27Å; F189-T196 WeakPolarHBondContact O-CA 3.26Å; F189-M197 HydrophobicContact CB-CG 4.02Å; F189-M197 HydrophobicContact CD1-CG 4.43Å; F189-M197 PolarHBondContact N-O 3.46Å; F189-M197 PolarHBondContact O-N 3.06Å; F189-V199 HydrophobicContact CB-CB 4.36Å; F189-V199 HydrophobicContact CB-CG1 3.54Å; F189-V199 HydrophobicContact CB-CG2 3.82Å; F189-V199 HydrophobicContact CD2-CG2 4.45Å; F189-V199 HydrophobicContact CG-CG1 4.24Å; F189-P274 HydrophobicContact CE2-CG 4.36Å; F189-N361 CarbonylContact C-O 3.55Å; F189-N361 WeakPolarHBondContact CA-O 3.2Å; F189-H362 WeakPolarHBondContact CE2-O 3.3Å; F189-H362 WeakPolarHBondContact CZ-O 3.43Å; F189-F364 HydrophobicContact CE2-CD1 4.21Å; F189-F364 HydrophobicContact CE2-CE1 4.06Å; F189-F364 HydrophobicContact CZ-CD1 4.26Å; F189-F364 HydrophobicContact CZ-CE1 4.29Å; F189-P384 HydrophobicContact CD1-CG 4.3Å; F189-P384 HydrophobicContact CD2-CG 3.98Å; F189-P384 HydrophobicContact CE1-CG 4.46Å; F189-P384 HydrophobicContact CE2-CG 4.15Å; F189-P384 HydrophobicContact CG-CG 4.06Å; F189-P384 HydrophobicContact CZ-CG 4.37Å |
| 190 | F | 95.5 | Very high | 93.2 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.2 | -179.4 | -56.8 | -91.2 | 0 | 0 | 0 | 110.7 | T196 N240 N361 H362 S363 | F190-T196 HydrophobicContact CD1-CG2 3.47Å; F190-T196 VanDerWaalsContact CD1-CG2 3.47Å; F190-T196 HydrophobicContact CE1-CG2 3.56Å; F190-T196 HydrophobicContact CG-CG2 4.26Å; F190-T196 HydrophobicContact CZ-CG2 4.41Å; F190-N240 HydrophobicContact CB-CB 3.92Å; F190-N240 WeakPolarHBondContact CD1-ND2 3.49Å; F190-N240 WeakPolarHBondContact CD2-ND2 3.18Å; F190-N240 HydrophobicContact CG-CB 4.4Å; F190-N240 WeakPolarHBondContact CG-ND2 3.46Å; F190-N361 VanDerWaalsContact CD2-O 3.31Å; F190-N361 WeakPolarHBondContact CD2-O 3.08Å; F190-N361 PolarHBondContact N-O 2.84Å; F190-H362 HydrophobicContact CB-CB 3.89Å; F190-H362 VanDerWaalsContact O-CA 3.28Å; F190-H362 WeakPolarHBondContact O-CA 3.4Å; F190-H362 WeakPolarHBondContact O-CB 3.48Å; F190-S363 PolarHBondContact O-N 3.04Å |
| 191 | K | 91.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | trans | -82 | 166.7 | 174.3 | -61.7 | -173.6 | -68 | 134.2 | 0 | 110.8 | D193 G194 S195 M197 | K191-D193 IonicContact NZ-OD1 2.61Å; K191-D193 PolarHBondContact NZ-OD1 3.32Å; K191-D193 IonicContact NZ-OD2 3.3Å; K191-D193 PolarHBondContact NZ-OD2 3.29Å; K191-D193 PolarHBondContact O-N 3.39Å; K191-G194 PolarHBondContact O-N 2.7Å; K191-G194 VanDerWaalsContact O-N 3.08Å; K191-S195 WeakPolarHBondContact CE-OG 3.3Å; K191-S195 PolarHBondContact N-O 3.22Å; K191-S195 PolarHBondContact NZ-OG 2.9Å; K191-M197 HydrophobicContact CD-SD 4.04Å; K191-M197 HydrophobicContact CG-SD 4.2Å | ||
| 192 | L | 90.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.4 | 178.9 | -61.5 | -178.9 | 0 | 0 | 0 | 114.2 | H25 G194 L243 L244 S363 T382 | H25-L192 WeakPolarHBondContact O-CD1 3.12Å; L192-G194 PolarHBondContact O-N 2.92Å; L192-L243 HydrophobicContact CD2-CB 3.91Å; L192-L243 HydrophobicContact CD2-CD2 4.48Å; L192-L244 HydrophobicContact CD1-CD2 4.11Å; L192-L244 HydrophobicContact CD1-CG 4.43Å; L192-S363 WeakPolarHBondContact CD2-OG 3.41Å; L192-T382 HydrophobicContact CD1-CG2 3.71Å; L192-T382 HydrophobicContact CG-CG2 4.33Å |
| 193 | D | 89.5 | Confident | 94 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 3.1 | 177.8 | 64.1 | 14 | 0 | 0 | 0 | 113.5 | K191 S195 | K191-D193 IonicContact NZ-OD1 2.61Å; K191-D193 PolarHBondContact NZ-OD1 3.32Å; K191-D193 IonicContact NZ-OD2 3.3Å; K191-D193 PolarHBondContact NZ-OD2 3.29Å; K191-D193 PolarHBondContact O-N 3.39Å; D193-S195 VanDerWaalsContact CG-OG 3.25Å; D193-S195 PolarHBondContact O-N 3.31Å; D193-S195 WeakPolarHBondContact OD1-CB 3.19Å; D193-S195 PolarHBondContact OD1-N 3.08Å; D193-S195 PolarHBondContact OD1-OG 2.85Å; D193-S195 PolarHBondContact OD2-OG 3.11Å |
| 194 | G | 89.9 | Confident | 94.1 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 80.1 | -6.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K191 L192 | K191-G194 PolarHBondContact O-N 2.7Å; K191-G194 VanDerWaalsContact O-N 3.08Å; L192-G194 PolarHBondContact O-N 2.92Å |
| 195 | S | 93 | Very high | 94.1 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | trans | -79.1 | 157.8 | 172.4 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | K191 D193 | K191-S195 WeakPolarHBondContact CE-OG 3.3Å; K191-S195 PolarHBondContact N-O 3.22Å; K191-S195 PolarHBondContact NZ-OG 2.9Å; D193-S195 VanDerWaalsContact CG-OG 3.25Å; D193-S195 PolarHBondContact O-N 3.31Å; D193-S195 WeakPolarHBondContact OD1-CB 3.19Å; D193-S195 PolarHBondContact OD1-N 3.08Å; D193-S195 PolarHBondContact OD1-OG 2.85Å; D193-S195 PolarHBondContact OD2-OG 3.11Å | ||
| 196 | T | 93.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 156.7 | 178.9 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | D188 F189 F190 | D188-T196 HydrophobicContact CB-CG2 4.45Å; F189-T196 CarbonylContact O-C 3.52Å; F189-T196 VanDerWaalsContact O-CA 3.27Å; F189-T196 WeakPolarHBondContact O-CA 3.26Å; F190-T196 HydrophobicContact CD1-CG2 3.47Å; F190-T196 VanDerWaalsContact CD1-CG2 3.47Å; F190-T196 HydrophobicContact CE1-CG2 3.56Å; F190-T196 HydrophobicContact CG-CG2 4.26Å; F190-T196 HydrophobicContact CZ-CG2 4.41Å |
| 197 | M | 93.7 | Very high | 94.2 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.4 | 167.7 | 64 | -175.3 | -62.4 | 0 | 0 | 110.6 | D188 F189 K191 V199 N383 I385 | D188-M197 CarbonylContact C-O 3.4Å; F189-M197 HydrophobicContact CB-CG 4.02Å; F189-M197 HydrophobicContact CD1-CG 4.43Å; F189-M197 PolarHBondContact N-O 3.46Å; F189-M197 PolarHBondContact O-N 3.06Å; K191-M197 HydrophobicContact CD-SD 4.04Å; K191-M197 HydrophobicContact CG-SD 4.2Å; M197-V199 HydrophobicContact CE-CG1 4.45Å; M197-V199 HydrophobicContact CG-CG1 4.02Å; M197-N383 WeakPolarHBondContact CE-OD1 3.38Å; M197-N383 PolarHBondContact SD-OD1 2.83Å; M197-I385 HydrophobicContact CE-CB 3.73Å; M197-I385 HydrophobicContact CE-CD1 3.61Å; M197-I385 HydrophobicContact CE-CG1 3.64Å |
| 198 | N | 94.5 | Very high | 94.3 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.9 | 178.4 | -167.1 | -115.7 | 0 | 0 | 0 | 110.2 | E186 S187 I385 | E186-N198 PolarHBondContact OE2-OD1 3.4Å; S187-N198 WeakPolarHBondContact O-CA 3.25Å; N198-I385 VanDerWaalsContact O-CD1 3.25Å; N198-I385 WeakPolarHBondContact O-CD1 3.33Å |
| 199 | V | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.7 | -178.9 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | E186 S187 F189 M197 L201 P274 P384 I385 | E186-V199 WeakPolarHBondContact CA-O 3.31Å; S187-V199 PolarHBondContact N-O 3.34Å; S187-V199 PolarHBondContact O-N 3.03Å; F189-V199 HydrophobicContact CB-CB 4.36Å; F189-V199 HydrophobicContact CB-CG1 3.54Å; F189-V199 HydrophobicContact CB-CG2 3.82Å; F189-V199 HydrophobicContact CD2-CG2 4.45Å; F189-V199 HydrophobicContact CG-CG1 4.24Å; M197-V199 HydrophobicContact CE-CG1 4.45Å; M197-V199 HydrophobicContact CG-CG1 4.02Å; V199-L201 PolarHBondContact O-N 3.39Å; V199-P274 HydrophobicContact CG2-CB 4.2Å; V199-P384 HydrophobicContact CB-CG 4.3Å; V199-P384 HydrophobicContact CG1-CG 3.52Å; V199-I385 HydrophobicContact CG1-CD1 4.21Å; V199-I385 HydrophobicContact CG1-CG1 4.27Å |
| 200 | K | 94.5 | Very high | 94.4 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107.5 | 172.3 | -170.4 | 154.8 | -175.2 | 161.6 | 0 | 110.4 | E186 K275 | E186-K200 PolarHBondContact OE2-N 3.42Å; K200-K275 HydrophobicContact CG-CD 4.46Å; K200-K275 PolarHBondContact O-N 3.07Å |
| 201 | L | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.6 | -178.2 | -163.9 | 68.1 | 0 | 0 | 0 | 109.8 | S184 H185 V199 Y272 P274 | S184-L201 VanDerWaalsContact CA-O 3.28Å; S184-L201 WeakPolarHBondContact CA-O 3.48Å; H185-L201 PolarHBondContact N-O 3.22Å; H185-L201 PolarHBondContact O-N 2.86Å; V199-L201 PolarHBondContact O-N 3.39Å; L201-Y272 HydrophobicContact CD2-CD1 3.79Å; L201-Y272 HydrophobicContact CD2-CG 4.08Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; L201-P274 HydrophobicContact CD1-CB 4.33Å |
| 202 | M | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 146.3 | 174.1 | -50.4 | -177.7 | -63.3 | 0 | 0 | 109.2 | F179 Y272 L273 K275 V328 E330 | F179-M202 HydrophobicContact CB-CB 4.22Å; F179-M202 HydrophobicContact CD1-CB 3.58Å; F179-M202 HydrophobicContact CD2-CB 4.49Å; F179-M202 HydrophobicContact CD2-CE 4.14Å; F179-M202 HydrophobicContact CD2-SD 4.3Å; F179-M202 HydrophobicContact CE1-CB 4.02Å; F179-M202 HydrophobicContact CE2-CE 4.03Å; F179-M202 HydrophobicContact CG-CB 3.86Å; F179-M202 HydrophobicContact CG-SD 4.4Å; F179-M202 HydrophobicContact CZ-CE 4.36Å; M202-Y272 VanDerWaalsContact O-CA 3.28Å; M202-Y272 WeakPolarHBondContact O-CA 3.47Å; M202-L273 WeakPolarHBondContact CA-O 3.4Å; M202-L273 VanDerWaalsContact CB-O 3.29Å; M202-L273 WeakPolarHBondContact CB-O 3.32Å; M202-L273 HydrophobicContact CE-CB 4.09Å; M202-L273 HydrophobicContact CE-CD2 3.81Å; M202-L273 HydrophobicContact CE-CG 4.05Å; M202-L273 WeakPolarHBondContact CG-O 3.47Å; M202-L273 PolarHBondContact N-O 3.48Å; M202-L273 PolarHBondContact O-N 3.3Å; M202-K275 HydrophobicContact CG-CG 3.9Å; M202-K275 HydrophobicContact SD-CG 3.87Å; M202-V328 HydrophobicContact CE-CG1 4.24Å; M202-E330 HydrophobicContact CG-CG 4.05Å; M202-E330 VanDerWaalsContact SD-CA 3.53Å; M202-E330 HydrophobicContact SD-CB 4.21Å; M202-E330 HydrophobicContact SD-CG 3.74Å; M202-E330 PolarHBondContact SD-N 3.2Å |
| 203 | Y | 96.7 | Very high | 95 | Very high | 65 Ų | 65 | 43 Ų | 43 | 26% | 0.255 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.9 | -176.3 | 168.8 | -100.6 | 0 | 0 | 0 | 112.1 | S183 H270 L271 Y272 | S183-Y203 WeakPolarHBondContact CB-O 3.33Å; Y203-H270 HydrophobicContact CE2-CB 4.12Å; Y203-H270 AromaticContact CE2-ND1 3.74Å; Y203-H270 AromaticContact CZ-ND1 3.73Å; Y203-H270 PolarHBondContact OH-CE1 3.47Å; Y203-H270 PolarHBondContact OH-ND1 2.94Å; Y203-L271 WeakPolarHBondContact CA-O 2.88Å; Y203-Y272 AromaticContact CD2-CD1 3.67Å; Y203-Y272 HydrophobicContact CD2-CD1 3.67Å; Y203-Y272 HydrophobicContact CD2-CD2 4.45Å; Y203-Y272 AromaticContact CD2-CE1 3.28Å; Y203-Y272 HydrophobicContact CD2-CE1 3.28Å; Y203-Y272 HydrophobicContact CD2-CE2 4.13Å; Y203-Y272 HydrophobicContact CD2-CG 4.24Å; Y203-Y272 AromaticContact CD2-CZ 3.54Å; Y203-Y272 AromaticContact CE2-CE1 3.8Å; Y203-Y272 HydrophobicContact CE2-CE1 3.8Å; Y203-Y272 HydrophobicContact CE2-CE2 4.16Å; Y203-Y272 AromaticContact CE2-CZ 3.58Å; Y203-Y272 HydrophobicContact CG-CD1 4.4Å; Y203-Y272 HydrophobicContact CG-CE1 4.16Å |
| 204 | M | 95.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 166 | 162 | 68.5 | 170.3 | 79 | 0 | 0 | 111.7 | L177 F179 F208 L271 | L177-M204 HydrophobicContact CD2-SD 3.97Å; L177-M204 HydrophobicContact CG-SD 4.34Å; L177-M204 WeakPolarHBondContact O-CE 3.41Å; F179-M204 HydrophobicContact CB-CE 4.05Å; F179-M204 HydrophobicContact CD1-CB 4.13Å; F179-M204 HydrophobicContact CD1-CE 3.31Å; F179-M204 HydrophobicContact CD1-CG 3.98Å; F179-M204 HydrophobicContact CD1-SD 4.49Å; F179-M204 HydrophobicContact CD2-CE 3.41Å; F179-M204 VanDerWaalsContact CD2-CE 3.41Å; F179-M204 HydrophobicContact CE1-CB 4.4Å; F179-M204 HydrophobicContact CE1-CE 3.45Å; F179-M204 VanDerWaalsContact CE1-CE 3.45Å; F179-M204 HydrophobicContact CE1-CG 3.79Å; F179-M204 HydrophobicContact CE1-SD 4.36Å; F179-M204 HydrophobicContact CE2-CE 3.54Å; F179-M204 HydrophobicContact CG-CE 3.29Å; F179-M204 HydrophobicContact CZ-CE 3.56Å; M204-F208 HydrophobicContact CG-CE2 4.36Å; M204-F208 HydrophobicContact CG-CZ 4.35Å; M204-F208 HydrophobicContact SD-CE2 4.11Å; M204-F208 HydrophobicContact SD-CZ 3.56Å; M204-F208 VanDerWaalsContact SD-CZ 3.56Å; M204-L271 HydrophobicContact CG-CB 4.2Å; M204-L271 PolarHBondContact N-O 3.46Å; M204-L271 VanDerWaalsContact N-O 3.1Å; M204-L271 PolarHBondContact O-N 3.12Å |
| 205 | N | 94.2 | Very high | 95.4 | Very high | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.6 | 169.3 | -176.1 | 6 | 0 | 0 | 0 | 108 | L269 H270 F353 | N205-L269 PolarHBondContact OD1-O 2.64Å; N205-H270 PolarHBondContact ND2-CE1 3.39Å; N205-F353 WeakPolarHBondContact OD1-CD1 3.46Å |
| 206 | S | 94.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 176.9 | -176.6 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | L269 | S206-L269 PolarHBondContact N-O 2.73Å; S206-L269 PolarHBondContact O-N 2.67Å |
| 207 | S | 95.6 | Very high | 95.7 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.7 | 172.2 | -40.5 | 0 | 0 | 0 | 0 | 111 | D266 T267 S268 | S207-D266 WeakPolarHBondContact CB-OD1 3.4Å; S207-T267 VanDerWaalsContact CA-O 3.31Å; S207-T267 WeakPolarHBondContact CA-O 3.28Å; S207-S268 PolarHBondContact OG-OG 3.09Å |
| 208 | F | 96.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.8 | 179.4 | -65.6 | -76.1 | 0 | 0 | 0 | 111.1 | M204 M210 I221 I223 T267 L269 L271 | M204-F208 HydrophobicContact CG-CE2 4.36Å; M204-F208 HydrophobicContact CG-CZ 4.35Å; M204-F208 HydrophobicContact SD-CE2 4.11Å; M204-F208 HydrophobicContact SD-CZ 3.56Å; M204-F208 VanDerWaalsContact SD-CZ 3.56Å; F208-M210 PolarHBondContact O-N 3.12Å; F208-M210 VanDerWaalsContact O-N 3.17Å; F208-I221 HydrophobicContact CB-CD1 3.73Å; F208-I221 HydrophobicContact CB-CG1 3.78Å; F208-I221 HydrophobicContact CD2-CD1 4.03Å; F208-I221 HydrophobicContact CG-CD1 3.94Å; F208-I221 HydrophobicContact CG-CG1 4.37Å; F208-I223 HydrophobicContact CE1-CG2 4.04Å; F208-T267 PolarHBondContact N-O 2.99Å; F208-T267 PolarHBondContact O-N 3.36Å; F208-L269 HydrophobicContact CD2-CD1 4.1Å; F208-L269 HydrophobicContact CD2-CG 4.35Å; F208-L271 HydrophobicContact CD2-CD2 4.24Å; F208-L271 HydrophobicContact CE1-CD2 4.41Å; F208-L271 HydrophobicContact CE2-CB 4.01Å; F208-L271 HydrophobicContact CE2-CD2 3.64Å; F208-L271 HydrophobicContact CE2-CG 4.48Å; F208-L271 HydrophobicContact CZ-CD2 3.74Å |
| 209 | D | 97 | Very high | 96.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 111.9 | 169.3 | -87 | -7.2 | 0 | 0 | 0 | 110.2 | I221 K222 F264 K265 | D209-I221 CarbonylContact O-C 3.57Å; D209-I221 WeakPolarHBondContact O-CA 3.48Å; D209-K222 HydrophobicContact CB-CB 4.03Å; D209-K222 HydrophobicContact CB-CD 4.31Å; D209-K222 PolarHBondContact O-N 2.94Å; D209-F264 HydrophobicContact CB-CB 4.02Å; D209-F264 HydrophobicContact CB-CD1 4.22Å; D209-F264 HydrophobicContact CB-CG 4.5Å; D209-K265 WeakPolarHBondContact CA-O 3.28Å |
| 210 | M | 97.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.5 | -178.4 | -175.8 | 179.4 | 161.6 | 0 | 0 | 111.8 | F208 R219 A220 F264 K265 T267 L269 E356 F358 | F208-M210 PolarHBondContact O-N 3.12Å; F208-M210 VanDerWaalsContact O-N 3.17Å; M210-R219 HydrophobicContact CE-CB 4.25Å; M210-R219 HydrophobicContact CE-CG 4.43Å; M210-A220 CarbonylContact C-O 3.46Å; M210-A220 VanDerWaalsContact CA-O 3.29Å; M210-A220 WeakPolarHBondContact CA-O 3.17Å; M210-A220 WeakPolarHBondContact CG-O 3.33Å; M210-F264 WeakPolarHBondContact O-CA 3.41Å; M210-K265 PolarHBondContact N-O 2.96Å; M210-K265 PolarHBondContact O-N 3.45Å; M210-T267 HydrophobicContact SD-CG2 4.41Å; M210-L269 HydrophobicContact CB-CD2 4.43Å; M210-L269 HydrophobicContact SD-CD2 3.5Å; M210-L269 VanDerWaalsContact SD-CD2 3.5Å; M210-E356 VanDerWaalsContact CE-OE1 3.22Å; M210-E356 WeakPolarHBondContact CE-OE1 3.29Å; M210-F358 HydrophobicContact CE-CD2 4.06Å; M210-F358 HydrophobicContact SD-CD2 4.1Å |
| 211 | T | 97.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.8 | 170.7 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | L213 R219 A220 N263 F264 | T211-L213 HydrophobicContact CG2-CD2 3.99Å; T211-L213 HydrophobicContact CG2-CG 4.21Å; T211-R219 WeakPolarHBondContact O-CA 3.32Å; T211-A220 HydrophobicContact CG2-CB 4.03Å; T211-A220 PolarHBondContact N-O 3.07Å; T211-A220 PolarHBondContact O-N 2.88Å; T211-N263 PolarHBondContact OG1-O 2.86Å; T211-F264 HydrophobicContact CG2-CD1 3.94Å; T211-F264 HydrophobicContact CG2-CD2 4.21Å; T211-F264 HydrophobicContact CG2-CE1 3.65Å; T211-F264 HydrophobicContact CG2-CE2 3.93Å; T211-F264 HydrophobicContact CG2-CG 4.21Å; T211-F264 HydrophobicContact CG2-CZ 3.64Å |
| 212 | S | 97 | Very high | 96.6 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 53% | 0.531 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 141.2 | 165.6 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | P214 | S212-P214 WeakPolarHBondContact O-CD 3.4Å |
| 213 | L | 97 | Very high | 96.6 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 74 | -179.4 | -59.8 | 167.7 | 0 | 0 | 0 | 108.4 | T211 D215 L216 K217 S218 A220 V235 I259 S262 | T211-L213 HydrophobicContact CG2-CD2 3.99Å; T211-L213 HydrophobicContact CG2-CG 4.21Å; L213-D215 VanDerWaalsContact C-N 3.29Å; L213-D215 PolarHBondContact O-N 2.79Å; L213-L216 HydrophobicContact CB-CB 4.07Å; L213-L216 HydrophobicContact CB-CD1 4.36Å; L213-L216 HydrophobicContact CD1-CD1 4.21Å; L213-L216 CarbonylContact O-C 3.45Å; L213-L216 PolarHBondContact O-N 2.72Å; L213-L216 VanDerWaalsContact O-N 3.09Å; L213-K217 PolarHBondContact O-N 3.05Å; L213-S218 CarbonylContact C-O 3.45Å; L213-S218 WeakPolarHBondContact CA-O 3.25Å; L213-S218 WeakPolarHBondContact CB-O 3.48Å; L213-S218 PolarHBondContact N-O 3.14Å; L213-S218 PolarHBondContact O-N 3Å; L213-A220 HydrophobicContact CD1-CB 3.71Å; L213-V235 HydrophobicContact CD1-CG1 3.95Å; L213-I259 HydrophobicContact CD1-CD1 4.02Å; L213-I259 HydrophobicContact CD1-CG1 4.04Å; L213-I259 HydrophobicContact CD1-CG2 4.11Å; L213-S262 WeakPolarHBondContact CD2-OG 3.41Å |
| 214 | P | 95.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -60.3 | -37.6 | -173.3 | 23.4 | -33.4 | 0 | 0 | 0 | 112.9 | S212 L216 K217 | S212-P214 WeakPolarHBondContact O-CD 3.4Å; P214-L216 PolarHBondContact O-N 2.83Å; P214-K217 PolarHBondContact O-N 3.32Å |
| 215 | D | 92.9 | Very high | 96.7 | Very high | 160 Ų | 160 | 40.1 Ų | 40.1 | 86% | 0.856 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -66.1 | -27.8 | 178.6 | -60.6 | -32.9 | 0 | 0 | 0 | 112.3 | L213 | L213-D215 VanDerWaalsContact C-N 3.29Å; L213-D215 PolarHBondContact O-N 2.79Å |
| 216 | L | 95.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -97.6 | 6.5 | 175.4 | -58.5 | 178.3 | 0 | 0 | 0 | 112.6 | L213 P214 S218 L246 A249 L250 I259 | L213-L216 HydrophobicContact CB-CB 4.07Å; L213-L216 HydrophobicContact CB-CD1 4.36Å; L213-L216 HydrophobicContact CD1-CD1 4.21Å; L213-L216 CarbonylContact O-C 3.45Å; L213-L216 PolarHBondContact O-N 2.72Å; L213-L216 VanDerWaalsContact O-N 3.09Å; P214-L216 PolarHBondContact O-N 2.83Å; L216-S218 WeakPolarHBondContact O-CB 3.44Å; L216-S218 PolarHBondContact O-N 3.01Å; L216-S218 PolarHBondContact O-OG 2.84Å; L216-L246 HydrophobicContact CB-CD1 4.09Å; L216-L246 HydrophobicContact CD1-CD1 4.2Å; L216-A249 HydrophobicContact CD2-CB 3.55Å; L216-L250 HydrophobicContact CD1-CD2 4.43Å; L216-I259 HydrophobicContact CD1-CD1 3.86Å; L216-I259 HydrophobicContact CD1-CG1 3.74Å |
| 217 | K | 96.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 48% | 0.478 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 40.3 | -173.7 | -58.8 | 175.1 | -175.7 | 164.7 | 0 | 113 | L213 P214 N238 E245 | L213-K217 PolarHBondContact O-N 3.05Å; P214-K217 PolarHBondContact O-N 3.32Å; K217-N238 VanDerWaalsContact C-ND2 3.32Å; K217-N238 WeakPolarHBondContact O-CB 3.42Å; K217-N238 PolarHBondContact O-N 2.78Å; K217-N238 PolarHBondContact O-ND2 3.46Å; K217-E245 WeakPolarHBondContact CE-OE1 3.09Å; K217-E245 VanDerWaalsContact NZ-CD 3.26Å; K217-E245 IonicContact NZ-OE1 2.67Å; K217-E245 PolarHBondContact NZ-OE1 3.22Å; K217-E245 IonicContact NZ-OE2 3.01Å; K217-E245 PolarHBondContact NZ-OE2 3.26Å |
| 218 | S | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 172.3 | -169.7 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | L213 L216 L236 P237 | L213-S218 CarbonylContact C-O 3.45Å; L213-S218 WeakPolarHBondContact CA-O 3.25Å; L213-S218 WeakPolarHBondContact CB-O 3.48Å; L213-S218 PolarHBondContact N-O 3.14Å; L213-S218 PolarHBondContact O-N 3Å; L216-S218 WeakPolarHBondContact O-CB 3.44Å; L216-S218 PolarHBondContact O-N 3.01Å; L216-S218 PolarHBondContact O-OG 2.84Å; S218-L236 CarbonylContact C-O 3.52Å; S218-L236 VanDerWaalsContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CA-O 3.43Å; S218-L236 WeakPolarHBondContact CB-O 3.44Å; S218-P237 WeakPolarHBondContact OG-CA 3.24Å |
| 219 | R | 97.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 25% | 0.249 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153 | 166 | -61.2 | -177.1 | -69 | 154.4 | 1.4 | 108.9 | M210 T211 V235 L236 E357 F358 | M210-R219 HydrophobicContact CE-CB 4.25Å; M210-R219 HydrophobicContact CE-CG 4.43Å; T211-R219 WeakPolarHBondContact O-CA 3.32Å; R219-V235 WeakPolarHBondContact O-CA 3.21Å; R219-L236 PolarHBondContact N-O 3.09Å; R219-L236 PolarHBondContact O-N 2.99Å; R219-E357 PolarHBondContact NH1-O 2.88Å; R219-E357 PolarHBondContact NH2-O 2.83Å; R219-F358 HydrophobicContact CB-CE2 3.92Å |
| 220 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M210 T211 L213 L233 I234 V235 I259 F264 | M210-A220 CarbonylContact C-O 3.46Å; M210-A220 VanDerWaalsContact CA-O 3.29Å; M210-A220 WeakPolarHBondContact CA-O 3.17Å; M210-A220 WeakPolarHBondContact CG-O 3.33Å; T211-A220 HydrophobicContact CG2-CB 4.03Å; T211-A220 PolarHBondContact N-O 3.07Å; T211-A220 PolarHBondContact O-N 2.88Å; L213-A220 HydrophobicContact CD1-CB 3.71Å; A220-L233 HydrophobicContact CB-CD1 4.04Å; A220-I234 CarbonylContact C-O 3.58Å; A220-I234 WeakPolarHBondContact CA-O 3.39Å; A220-V235 HydrophobicContact CB-CG2 4.08Å; A220-I259 HydrophobicContact CB-CG2 4.25Å; A220-F264 HydrophobicContact CB-CE1 4.02Å; A220-F264 HydrophobicContact CB-CZ 4.09Å |
| 221 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.4 | 178.1 | -168.6 | 176.3 | 0 | 0 | 0 | 110 | F208 D209 L233 I234 L269 L271 F358 | F208-I221 HydrophobicContact CB-CD1 3.73Å; F208-I221 HydrophobicContact CB-CG1 3.78Å; F208-I221 HydrophobicContact CD2-CD1 4.03Å; F208-I221 HydrophobicContact CG-CD1 3.94Å; F208-I221 HydrophobicContact CG-CG1 4.37Å; D209-I221 CarbonylContact O-C 3.57Å; D209-I221 WeakPolarHBondContact O-CA 3.48Å; I221-L233 WeakPolarHBondContact O-CA 3.48Å; I221-I234 HydrophobicContact CG2-CB 3.91Å; I221-I234 PolarHBondContact N-O 3.47Å; I221-I234 PolarHBondContact O-N 3.34Å; I221-L269 HydrophobicContact CD1-CD1 4.15Å; I221-L269 HydrophobicContact CD1-CD2 4.01Å; I221-L271 HydrophobicContact CD1-CD1 3.91Å; I221-L271 HydrophobicContact CD1-CD2 4.41Å; I221-F358 HydrophobicContact CB-CD1 4.42Å; I221-F358 HydrophobicContact CB-CD2 4.08Å; I221-F358 HydrophobicContact CB-CE1 4.26Å; I221-F358 HydrophobicContact CB-CE2 3.91Å; I221-F358 HydrophobicContact CB-CG 4.34Å; I221-F358 HydrophobicContact CB-CZ 4.01Å; I221-F358 HydrophobicContact CD1-CB 4.33Å; I221-F358 HydrophobicContact CD1-CG 4.22Å; I221-F358 HydrophobicContact CG2-CD1 3.75Å; I221-F358 HydrophobicContact CG2-CD2 4.23Å; I221-F358 HydrophobicContact CG2-CE1 3.39Å; I221-F358 HydrophobicContact CG2-CE2 3.92Å; I221-F358 HydrophobicContact CG2-CG 4.15Å; I221-F358 HydrophobicContact CG2-CZ 3.49Å; I221-F358 VanDerWaalsContact CG2-CZ 3.49Å |
| 222 | K | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.8 | 169.6 | -65.3 | 176.7 | 178.3 | -178.4 | 0 | 109.8 | D209 L232 L233 F264 D372 | D209-K222 HydrophobicContact CB-CB 4.03Å; D209-K222 HydrophobicContact CB-CD 4.31Å; D209-K222 PolarHBondContact O-N 2.94Å; K222-L232 CarbonylContact C-O 3.48Å; K222-L232 WeakPolarHBondContact CA-O 3.38Å; K222-L233 HydrophobicContact CG-CD1 4.06Å; K222-F264 HydrophobicContact CD-CD1 4.21Å; K222-F264 HydrophobicContact CD-CE1 4.29Å; K222-F264 HydrophobicContact CD-CG 4.41Å; K222-F264 HydrophobicContact CG-CD1 4.12Å; K222-F264 HydrophobicContact CG-CE1 3.88Å; K222-F264 HydrophobicContact CG-CZ 4.36Å; K222-D372 IonicContact NZ-OD1 3.89Å; K222-D372 PolarHBondContact NZ-OD1 3.12Å |
| 223 | I | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.6 | 177 | -53.3 | 169.3 | 0 | 0 | 0 | 107.3 | W175 F208 S231 L232 L271 L273 | W175-I223 HydrophobicContact CD2-CG2 4.27Å; W175-I223 HydrophobicContact CE3-CB 4.49Å; W175-I223 HydrophobicContact CE3-CG2 3.63Å; W175-I223 HydrophobicContact CZ3-CB 4.29Å; W175-I223 HydrophobicContact CZ3-CG2 3.89Å; F208-I223 HydrophobicContact CE1-CG2 4.04Å; I223-S231 CarbonylContact O-C 3.59Å; I223-S231 WeakPolarHBondContact O-CA 3.35Å; I223-L232 HydrophobicContact CB-CB 4.35Å; I223-L232 HydrophobicContact CD1-CD2 4.35Å; I223-L232 PolarHBondContact N-O 3.15Å; I223-L232 PolarHBondContact O-N 2.98Å; I223-L271 HydrophobicContact CD1-CD2 3.76Å; I223-L271 HydrophobicContact CG1-CD2 4.06Å; I223-L273 HydrophobicContact CD1-CD2 3.9Å |
| 224 | P | 97.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.6 | -174.5 | 27.9 | -33.5 | 0 | 0 | 0 | 112.5 | D176 | D176-P224 HydrophobicContact CB-CB 4.16Å; D176-P224 HydrophobicContact CB-CG 4.01Å; D176-P224 PolarHBondContact N-O 2.92Å |
| 225 | F | 96.7 | Very high | 97 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -89 | 165.1 | 163.8 | -64.6 | -79.3 | 0 | 0 | 0 | 110.2 | V88 F171 G173 M174 W175 N227 F230 L232 V333 I368 | V88-F225 HydrophobicContact CG2-CB 3.69Å; V88-F225 HydrophobicContact CG2-CG 4.26Å; F171-F225 HydrophobicContact CE1-CD1 4.38Å; F171-F225 HydrophobicContact CE1-CD2 4.45Å; F171-F225 AromaticContact CE1-CE1 3.85Å; F171-F225 HydrophobicContact CE1-CE1 3.85Å; F171-F225 AromaticContact CE1-CE2 3.94Å; F171-F225 HydrophobicContact CE1-CE2 3.94Å; F171-F225 AromaticContact CE1-CZ 3.61Å; F171-F225 HydrophobicContact CE1-CZ 3.61Å; F171-F225 HydrophobicContact CZ-CD1 4.49Å; F171-F225 HydrophobicContact CZ-CD2 4Å; F171-F225 HydrophobicContact CZ-CE1 4.31Å; F171-F225 AromaticContact CZ-CE2 3.8Å; F171-F225 HydrophobicContact CZ-CE2 3.8Å; F171-F225 HydrophobicContact CZ-CG 4.35Å; F171-F225 AromaticContact CZ-CZ 3.97Å; F171-F225 HydrophobicContact CZ-CZ 3.97Å; G173-F225 VanDerWaalsContact C-CD1 3.45Å; G173-F225 WeakPolarHBondContact O-CD1 3.32Å; G173-F225 WeakPolarHBondContact O-CE1 3.49Å; M174-F225 CarbonylContact O-C 3.52Å; M174-F225 WeakPolarHBondContact O-CA 3.39Å; M174-F225 WeakPolarHBondContact O-CB 3.4Å; M174-F225 WeakPolarHBondContact O-CD1 3.38Å; W175-F225 AromaticContact CE3-CD1 3.87Å; W175-F225 HydrophobicContact CE3-CD1 3.87Å; W175-F225 AromaticContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CZ 4.29Å; W175-F225 AromaticContact CH2-CE1 3.74Å; W175-F225 HydrophobicContact CH2-CE1 3.74Å; W175-F225 AromaticContact CH2-CZ 3.87Å; W175-F225 HydrophobicContact CH2-CZ 3.87Å; W175-F225 AromaticContact CZ3-CD1 3.88Å; W175-F225 HydrophobicContact CZ3-CD1 3.88Å; W175-F225 AromaticContact CZ3-CE1 3.27Å; W175-F225 HydrophobicContact CZ3-CE1 3.27Å; W175-F225 HydrophobicContact CZ3-CE2 4.2Å; W175-F225 AromaticContact CZ3-CZ 3.46Å; W175-F225 HydrophobicContact CZ3-CZ 3.46Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.46Å; F225-N227 CarbonylContact O-C 3.58Å; F225-N227 PolarHBondContact O-N 3.1Å; F225-N227 VanDerWaalsContact O-N 3.1Å; F225-F230 HydrophobicContact CB-CB 4.37Å; F225-F230 HydrophobicContact CD2-CB 3.68Å; F225-F230 HydrophobicContact CE2-CB 4.47Å; F225-F230 HydrophobicContact CG-CB 4.4Å; F225-F230 PolarHBondContact N-O 2.9Å; F225-F230 VanDerWaalsContact N-O 3.14Å; F225-L232 HydrophobicContact CE2-CB 4.22Å; F225-L232 HydrophobicContact CZ-CB 4.2Å; F225-V333 HydrophobicContact CE1-CB 3.92Å; F225-V333 HydrophobicContact CE1-CG2 3.63Å; F225-V333 HydrophobicContact CZ-CB 4.13Å; F225-V333 HydrophobicContact CZ-CG2 3.55Å; F225-I368 HydrophobicContact CE2-CG2 4.39Å |
| 226 | K | 95.5 | Very high | 97.2 | Very high | 82 Ų | 82 | 26.2 Ų | 26.2 | 36% | 0.357 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -50.9 | -35.3 | 174.6 | -77.6 | -162.1 | 169 | -167.1 | 0 | 113.5 | E86 M174 W175 P228 | E86-K226 CarbonylContact O-C 3.37Å; E86-K226 WeakPolarHBondContact O-CB 3.23Å; M174-K226 HydrophobicContact CB-CD 4.03Å; M174-K226 HydrophobicContact CB-CG 4.02Å; M174-K226 PolarHBondContact O-N 2.58Å; M174-K226 HydrophobicContact SD-CD 4.39Å; W175-K226 WeakPolarHBondContact O-CG 3.39Å; K226-P228 WeakPolarHBondContact O-CD 3.08Å |
| 227 | N | 95.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -85.6 | 110.2 | 167.6 | -174.7 | -15.6 | 0 | 0 | 0 | 108.6 | E86 V88 F225 K229 F230 | E86-N227 PolarHBondContact O-N 3.31Å; V88-N227 HydrophobicContact CB-CB 3.91Å; V88-N227 HydrophobicContact CG2-CB 3.64Å; F225-N227 CarbonylContact O-C 3.58Å; F225-N227 PolarHBondContact O-N 3.1Å; F225-N227 VanDerWaalsContact O-N 3.1Å; N227-K229 PolarHBondContact O-N 3.37Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 WeakPolarHBondContact OD1-CG 3.17Å; N227-K229 PolarHBondContact OD1-N 3.32Å; N227-K229 VanDerWaalsContact OD1-N 3.12Å; N227-F230 HydrophobicContact CB-CD2 4.11Å; N227-F230 PolarHBondContact O-N 3.34Å |
| 228 | P | 95 | Very high | 97.4 | Very high | 111 Ų | 111 | 24.9 Ų | 24.9 | 72% | 0.721 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.6 | -174.6 | 29.5 | -37.3 | 0 | 0 | 0 | 113.2 | K226 F230 | K226-P228 WeakPolarHBondContact O-CD 3.08Å; P228-F230 PolarHBondContact O-N 3.28Å |
| 229 | K | 96 | Very high | 97.3 | Very high | 59 Ų | 59 | 27 Ų | 27 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.3 | 169.1 | -64.1 | -177.6 | -175.8 | -177.9 | 0 | 112.1 | D80 E83 N227 W370 K371 | D80-K229 IonicContact OD1-NZ 2.69Å; E83-K229 IonicContact OE2-NZ 2.77Å; E83-K229 PolarHBondContact OE2-NZ 3.38Å; N227-K229 PolarHBondContact O-N 3.37Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 WeakPolarHBondContact OD1-CG 3.17Å; N227-K229 PolarHBondContact OD1-N 3.32Å; N227-K229 VanDerWaalsContact OD1-N 3.12Å; K229-W370 CarbonylContact O-C 3.57Å; K229-W370 VanDerWaalsContact O-CA 3.32Å; K229-W370 WeakPolarHBondContact O-CA 3.36Å; K229-K371 PolarHBondContact O-N 2.76Å |
| 230 | F | 97.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.6 | -175.3 | -59.8 | -86.9 | 0 | 0 | 0 | 112.1 | C81 V88 F171 F225 N227 P228 I368 I369 W370 | C81-F230 WeakPolarHBondContact O-CZ 3.32Å; V88-F230 HydrophobicContact CB-CD2 4.29Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.87Å; V88-F230 HydrophobicContact CG1-CG 4.23Å; V88-F230 HydrophobicContact CG1-CZ 4.43Å; V88-F230 HydrophobicContact CG2-CD2 4.34Å; F171-F230 HydrophobicContact CE2-CB 4.5Å; F171-F230 AromaticContact CE2-CD1 3.84Å; F171-F230 HydrophobicContact CE2-CD1 3.84Å; F171-F230 HydrophobicContact CE2-CE1 4.23Å; F171-F230 HydrophobicContact CE2-CG 4.15Å; F171-F230 HydrophobicContact CZ-CB 4.36Å; F171-F230 HydrophobicContact CZ-CD1 4.5Å; F171-F230 HydrophobicContact CZ-CG 4.47Å; F225-F230 HydrophobicContact CB-CB 4.37Å; F225-F230 HydrophobicContact CD2-CB 3.68Å; F225-F230 HydrophobicContact CE2-CB 4.47Å; F225-F230 HydrophobicContact CG-CB 4.4Å; F225-F230 PolarHBondContact N-O 2.9Å; F225-F230 VanDerWaalsContact N-O 3.14Å; N227-F230 HydrophobicContact CB-CD2 4.11Å; N227-F230 PolarHBondContact O-N 3.34Å; P228-F230 PolarHBondContact O-N 3.28Å; F230-I368 HydrophobicContact CD1-CG2 4.37Å; F230-I369 VanDerWaalsContact CA-O 3.31Å; F230-I369 WeakPolarHBondContact CA-O 3.38Å; F230-W370 HydrophobicContact CD1-CB 4.21Å; F230-W370 AromaticContact CD1-CD1 3.98Å; F230-W370 HydrophobicContact CD1-CG 4.48Å; F230-W370 HydrophobicContact CE1-CB 4.05Å; F230-W370 AromaticContact CE1-CD1 3.45Å; F230-W370 VanDerWaalsContact CE1-CD1 3.45Å; F230-W370 AromaticContact CE1-CG 4Å; F230-W370 HydrophobicContact CE1-CG 4Å; F230-W370 AromaticContact CZ-CD1 3.56Å; F230-W370 HydrophobicContact CZ-CG 4.46Å |
| 231 | S | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151 | 169.6 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | I223 I368 I369 | I223-S231 CarbonylContact O-C 3.59Å; I223-S231 WeakPolarHBondContact O-CA 3.35Å; S231-I368 WeakPolarHBondContact O-CA 3.38Å; S231-I369 PolarHBondContact N-O 3.45Å; S231-I369 PolarHBondContact O-N 2.86Å |
| 232 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.4 | 164.5 | -172.4 | 80.5 | 0 | 0 | 0 | 108 | W175 K222 I223 F225 I234 L273 V366 I368 | W175-L232 HydrophobicContact CH2-CB 4.01Å; W175-L232 HydrophobicContact CH2-CD2 3.83Å; W175-L232 HydrophobicContact CH2-CG 4.42Å; W175-L232 HydrophobicContact CZ3-CB 3.84Å; W175-L232 HydrophobicContact CZ3-CD2 4.43Å; K222-L232 CarbonylContact C-O 3.48Å; K222-L232 WeakPolarHBondContact CA-O 3.38Å; I223-L232 HydrophobicContact CB-CB 4.35Å; I223-L232 HydrophobicContact CD1-CD2 4.35Å; I223-L232 PolarHBondContact N-O 3.15Å; I223-L232 PolarHBondContact O-N 2.98Å; F225-L232 HydrophobicContact CE2-CB 4.22Å; F225-L232 HydrophobicContact CZ-CB 4.2Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 3.98Å; L232-I234 HydrophobicContact CG-CD1 4.26Å; L232-I234 HydrophobicContact CG-CG1 4.39Å; L232-L273 HydrophobicContact CD2-CD2 4.38Å; L232-V366 HydrophobicContact CD1-CG2 3.59Å; L232-V366 HydrophobicContact CG-CG2 4.21Å; L232-I368 HydrophobicContact CD1-CG1 4.08Å |
| 233 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.4 | 169 | 175.4 | 67.2 | 0 | 0 | 0 | 109.1 | A220 I221 K222 V235 I256 I259 L260 F264 V366 S367 I369 | A220-L233 HydrophobicContact CB-CD1 4.04Å; I221-L233 WeakPolarHBondContact O-CA 3.48Å; K222-L233 HydrophobicContact CG-CD1 4.06Å; L233-V235 HydrophobicContact CD1-CG2 4.41Å; L233-V235 HydrophobicContact CD2-CG2 4.29Å; L233-V235 HydrophobicContact CG-CG2 4.14Å; L233-I256 HydrophobicContact CD2-CD1 3.99Å; L233-I256 HydrophobicContact CD2-CG1 4.26Å; L233-I259 HydrophobicContact CD1-CG2 4.49Å; L233-I259 HydrophobicContact CD2-CG2 4.1Å; L233-L260 HydrophobicContact CD2-CD2 3.91Å; L233-F264 HydrophobicContact CD1-CE1 4.08Å; L233-F264 HydrophobicContact CD1-CZ 3.89Å; L233-V366 WeakPolarHBondContact O-CA 3.27Å; L233-S367 PolarHBondContact N-O 2.88Å; L233-S367 PolarHBondContact O-N 2.97Å; L233-I369 HydrophobicContact CB-CD1 4.47Å; L233-I369 HydrophobicContact CB-CG1 3.78Å; L233-I369 HydrophobicContact CD2-CD1 4.26Å; L233-I369 HydrophobicContact CD2-CG1 4.22Å |
| 234 | I | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.2 | 167.8 | -59.7 | -68.1 | 0 | 0 | 0 | 108.4 | A220 I221 L232 L273 F358 V360 F364 F365 V366 | A220-I234 CarbonylContact C-O 3.58Å; A220-I234 WeakPolarHBondContact CA-O 3.39Å; I221-I234 HydrophobicContact CG2-CB 3.91Å; I221-I234 PolarHBondContact N-O 3.47Å; I221-I234 PolarHBondContact O-N 3.34Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 3.98Å; L232-I234 HydrophobicContact CG-CD1 4.26Å; L232-I234 HydrophobicContact CG-CG1 4.39Å; I234-L273 HydrophobicContact CD1-CD1 4.29Å; I234-L273 HydrophobicContact CG1-CD1 4.15Å; I234-F358 HydrophobicContact CB-CE1 4.41Å; I234-F358 HydrophobicContact CG2-CE1 3.94Å; I234-F358 HydrophobicContact CG2-CZ 4.27Å; I234-V360 HydrophobicContact CG2-CG1 4.49Å; I234-V360 HydrophobicContact CG2-CG2 3.95Å; I234-F364 HydrophobicContact CD1-CD2 3.74Å; I234-F364 HydrophobicContact CD1-CE2 3.56Å; I234-F364 HydrophobicContact CG2-CB 4.38Å; I234-F364 HydrophobicContact CG2-CD2 3.98Å; I234-F364 HydrophobicContact CG2-CG 4.39Å; I234-F365 WeakPolarHBondContact CA-O 3.21Å; I234-V366 HydrophobicContact CD1-CB 3.93Å; I234-V366 HydrophobicContact CD1-CG2 3.71Å |
| 235 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.7 | 171.6 | -172.3 | 0 | 0 | 0 | 0 | 107.3 | L213 R219 A220 L233 L246 I259 F365 | L213-V235 HydrophobicContact CD1-CG1 3.95Å; R219-V235 WeakPolarHBondContact O-CA 3.21Å; A220-V235 HydrophobicContact CB-CG2 4.08Å; L233-V235 HydrophobicContact CD1-CG2 4.41Å; L233-V235 HydrophobicContact CD2-CG2 4.29Å; L233-V235 HydrophobicContact CG-CG2 4.14Å; V235-L246 HydrophobicContact CB-CD2 4.19Å; V235-L246 HydrophobicContact CG1-CD1 4.01Å; V235-L246 HydrophobicContact CG1-CD2 3.72Å; V235-I259 HydrophobicContact CB-CD1 4.34Å; V235-I259 HydrophobicContact CG1-CD1 3.93Å; V235-I259 HydrophobicContact CG2-CD1 3.59Å; V235-I259 HydrophobicContact CG2-CG2 4.27Å; V235-F365 HydrophobicContact CB-CB 4.17Å; V235-F365 HydrophobicContact CB-CD1 4.08Å; V235-F365 HydrophobicContact CG2-CD1 3.79Å; V235-F365 HydrophobicContact CG2-CE1 4.45Å; V235-F365 PolarHBondContact N-O 3.34Å; V235-F365 PolarHBondContact O-N 3.05Å |
| 236 | L | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115 | -173.2 | -172.2 | 68.9 | 0 | 0 | 0 | 108.9 | S218 R219 F358 R359 V360 H362 F364 | S218-L236 CarbonylContact C-O 3.52Å; S218-L236 VanDerWaalsContact CA-O 3.3Å; S218-L236 WeakPolarHBondContact CA-O 3.43Å; S218-L236 WeakPolarHBondContact CB-O 3.44Å; R219-L236 PolarHBondContact N-O 3.09Å; R219-L236 PolarHBondContact O-N 2.99Å; L236-F358 HydrophobicContact CB-CE1 4.02Å; L236-F358 HydrophobicContact CB-CE2 4.45Å; L236-F358 HydrophobicContact CB-CZ 3.63Å; L236-F358 HydrophobicContact CD2-CD1 4.49Å; L236-F358 HydrophobicContact CD2-CE1 4.08Å; L236-F358 HydrophobicContact CD2-CZ 4.27Å; L236-R359 VanDerWaalsContact CD2-O 3.26Å; L236-R359 WeakPolarHBondContact CD2-O 3.29Å; L236-V360 HydrophobicContact CD1-CG1 4.27Å; L236-V360 HydrophobicContact CD2-CG2 4.47Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.36Å; L236-H362 VanDerWaalsContact CD1-NE2 3.33Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.28Å; L236-F364 HydrophobicContact CD1-CB 3.87Å |
| 237 | P | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 152.7 | 169 | -23.6 | 33.7 | 0 | 0 | 0 | 112.1 | S218 A239 L243 L246 H362 | S218-P237 WeakPolarHBondContact OG-CA 3.24Å; P237-A239 VanDerWaalsContact C-N 3.32Å; P237-L243 HydrophobicContact CG-CB 4.4Å; P237-L246 HydrophobicContact CG-CB 4.28Å; P237-L246 HydrophobicContact CG-CD2 3.9Å; P237-H362 PolarHBondContact O-CE1 3.09Å; P237-H362 PolarHBondContact O-NE2 3.33Å |
| 238 | N | 97.4 | Very high | 96 | Very high | 100 Ų | 100 | 36.5 Ų | 36.5 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -75 | -26.5 | 175.7 | -68.4 | -28.6 | 0 | 0 | 0 | 112.1 | K217 | K217-N238 VanDerWaalsContact C-ND2 3.32Å; K217-N238 WeakPolarHBondContact O-CB 3.42Å; K217-N238 PolarHBondContact O-N 2.78Å; K217-N238 PolarHBondContact O-ND2 3.46Å |
| 239 | A | 96.7 | Very high | 95.9 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 40% | 0.397 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -103.9 | 144.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P237 D241 G242 | P237-A239 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 3.06Å; A239-D241 VanDerWaalsContact O-N 3.15Å; A239-G242 PolarHBondContact O-N 3.49Å |
| 240 | N | 95.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 34% | 0.342 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.3 | -175.7 | -69 | -9.5 | 0 | 0 | 0 | 114.2 | F190 H362 | F190-N240 HydrophobicContact CB-CB 3.92Å; F190-N240 WeakPolarHBondContact CD1-ND2 3.49Å; F190-N240 WeakPolarHBondContact CD2-ND2 3.18Å; F190-N240 HydrophobicContact CG-CB 4.4Å; F190-N240 WeakPolarHBondContact CG-ND2 3.46Å; N240-H362 HydrophobicContact CB-CB 4.09Å; N240-H362 PolarHBondContact OD1-ND1 3.06Å |
| 241 | D | 93 | Very high | 95.3 | Very high | 106 Ų | 106 | 31.3 Ų | 31.3 | 57% | 0.567 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 3.5 | 178.9 | 60 | -13.4 | 0 | 0 | 0 | 113.1 | A239 L243 | A239-D241 PolarHBondContact O-N 3.06Å; A239-D241 VanDerWaalsContact O-N 3.15Å; D241-L243 PolarHBondContact O-N 3.49Å; D241-L243 VanDerWaalsContact O-N 3.12Å |
| 242 | G | 95.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -2.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A239 L244 E245 L246 | A239-G242 PolarHBondContact O-N 3.49Å; G242-L244 VanDerWaalsContact C-N 3.31Å; G242-L244 PolarHBondContact O-N 2.83Å; G242-E245 PolarHBondContact O-N 3.1Å; G242-L246 PolarHBondContact O-N 3.43Å |
| 243 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | -178.3 | 179.4 | 63.7 | 0 | 0 | 0 | 111.8 | L192 P237 D241 L246 L247 F365 H380 T382 | L192-L243 HydrophobicContact CD2-CB 3.91Å; L192-L243 HydrophobicContact CD2-CD2 4.48Å; P237-L243 HydrophobicContact CG-CB 4.4Å; D241-L243 PolarHBondContact O-N 3.49Å; D241-L243 VanDerWaalsContact O-N 3.12Å; L243-L246 HydrophobicContact CD1-CD2 4.31Å; L243-L246 WeakPolarHBondContact O-CB 3.45Å; L243-L246 PolarHBondContact O-N 3.39Å; L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CD2 4.35Å; L243-L247 HydrophobicContact CD1-CG 4.04Å; L243-L247 HydrophobicContact CD2-CD1 4.42Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.16Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.24Å; L243-L247 PolarHBondContact O-N 3.21Å; L243-F365 HydrophobicContact CD1-CB 4.33Å; L243-H380 HydrophobicContact CD1-CB 4.2Å; L243-H380 HydrophobicContact CD2-CB 4.05Å; L243-T382 HydrophobicContact CD2-CG2 3.99Å |
| 244 | L | 93 | Very high | 93.1 | Very high | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | -179.2 | -59.9 | -176.4 | 0 | 0 | 0 | 111.2 | H25 L192 G242 L246 L247 D248 | H25-L244 HydrophobicContact CB-CD2 3.28Å; L192-L244 HydrophobicContact CD1-CD2 4.11Å; L192-L244 HydrophobicContact CD1-CG 4.43Å; G242-L244 VanDerWaalsContact C-N 3.31Å; G242-L244 PolarHBondContact O-N 2.83Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.03Å; L244-L247 PolarHBondContact O-N 3.22Å; L244-D248 WeakPolarHBondContact O-CB 3.29Å; L244-D248 VanDerWaalsContact O-CG 3.32Å; L244-D248 PolarHBondContact O-N 3.32Å |
| 245 | E | 93.8 | Very high | 92.6 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 175.9 | -174.1 | 176.8 | -176 | 0 | 0 | 111.6 | K217 G242 A249 | K217-E245 WeakPolarHBondContact CE-OE1 3.09Å; K217-E245 VanDerWaalsContact NZ-CD 3.26Å; K217-E245 IonicContact NZ-OE1 2.67Å; K217-E245 PolarHBondContact NZ-OE1 3.22Å; K217-E245 IonicContact NZ-OE2 3.01Å; K217-E245 PolarHBondContact NZ-OE2 3.26Å; G242-E245 PolarHBondContact O-N 3.1Å; E245-A249 VanDerWaalsContact O-CB 3.3Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.77Å |
| 246 | L | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 175.1 | 171.4 | 63.5 | 0 | 0 | 0 | 111.9 | L216 V235 P237 G242 L243 L244 A249 L250 F365 | L216-L246 HydrophobicContact CB-CD1 4.09Å; L216-L246 HydrophobicContact CD1-CD1 4.2Å; V235-L246 HydrophobicContact CB-CD2 4.19Å; V235-L246 HydrophobicContact CG1-CD1 4.01Å; V235-L246 HydrophobicContact CG1-CD2 3.72Å; P237-L246 HydrophobicContact CG-CB 4.28Å; P237-L246 HydrophobicContact CG-CD2 3.9Å; G242-L246 PolarHBondContact O-N 3.43Å; L243-L246 HydrophobicContact CD1-CD2 4.31Å; L243-L246 WeakPolarHBondContact O-CB 3.45Å; L243-L246 PolarHBondContact O-N 3.39Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.03Å; L246-A249 PolarHBondContact O-N 2.85Å; L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CG 4.13Å; L246-L250 HydrophobicContact CG-CD1 4.08Å; L246-L250 WeakPolarHBondContact O-CG 3.12Å; L246-L250 PolarHBondContact O-N 2.89Å; L246-F365 HydrophobicContact CD2-CB 3.96Å |
| 247 | L | 93.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | -179.9 | -68.2 | 175.7 | 0 | 0 | 0 | 111.1 | Y15 V19 L243 L244 A249 L250 H251 F365 H380 | Y15-L247 HydrophobicContact CE1-CD2 3.92Å; V19-L247 HydrophobicContact CG1-CD1 4.35Å; L243-L247 HydrophobicContact CD1-CD1 4.27Å; L243-L247 HydrophobicContact CD1-CD2 4.35Å; L243-L247 HydrophobicContact CD1-CG 4.04Å; L243-L247 HydrophobicContact CD2-CD1 4.42Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.16Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.24Å; L243-L247 PolarHBondContact O-N 3.21Å; L244-L247 PolarHBondContact O-N 3.22Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 3.31Å; L247-L250 PolarHBondContact O-N 2.89Å; L247-H251 PolarHBondContact O-N 2.83Å; L247-F365 HydrophobicContact CD2-CD2 3.97Å; L247-H380 HydrophobicContact CD2-CB 4.37Å |
| 248 | D | 91.8 | Very high | 91.5 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.1 | -79.8 | -0.8 | 0 | 0 | 0 | 112.1 | L244 H251 R252 | L244-D248 WeakPolarHBondContact O-CB 3.29Å; L244-D248 VanDerWaalsContact O-CG 3.32Å; L244-D248 PolarHBondContact O-N 3.32Å; D248-H251 PolarHBondContact O-N 2.81Å; D248-R252 WeakPolarHBondContact O-CG 3.36Å; D248-R252 PolarHBondContact O-N 2.78Å; D248-R252 PolarHBondContact O-NH1 2.81Å |
| 249 | A | 92.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L216 E245 L246 L247 H251 R252 D253 | L216-A249 HydrophobicContact CD2-CB 3.55Å; E245-A249 VanDerWaalsContact O-CB 3.3Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.77Å; L246-A249 PolarHBondContact O-N 2.85Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 3.31Å; A249-H251 VanDerWaalsContact C-N 3.31Å; A249-H251 PolarHBondContact O-N 2.73Å; A249-R252 PolarHBondContact O-N 2.86Å; A249-D253 WeakPolarHBondContact O-CB 3.11Å; A249-D253 PolarHBondContact O-N 2.91Å |
| 250 | L | 91.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 176.1 | -72.3 | 171.3 | 0 | 0 | 0 | 112.2 | L216 L246 L247 R252 G255 I259 F365 | L216-L250 HydrophobicContact CD1-CD2 4.43Å; L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CG 4.13Å; L246-L250 HydrophobicContact CG-CD1 4.08Å; L246-L250 WeakPolarHBondContact O-CG 3.12Å; L246-L250 PolarHBondContact O-N 2.89Å; L247-L250 PolarHBondContact O-N 2.89Å; L250-R252 VanDerWaalsContact C-N 3.32Å; L250-R252 PolarHBondContact O-N 2.97Å; L250-G255 WeakPolarHBondContact O-CA 3.48Å; L250-G255 PolarHBondContact O-N 2.93Å; L250-G255 VanDerWaalsContact O-N 3.12Å; L250-I259 HydrophobicContact CD2-CD1 3.71Å; L250-I259 HydrophobicContact CD2-CG1 4.13Å; L250-F365 HydrophobicContact CD1-CD2 4.1Å; L250-F365 HydrophobicContact CD1-CE2 4.19Å; L250-F365 HydrophobicContact CD1-CG 4.34Å |
| 251 | H | 89.3 | Confident | 91.2 | Very high | 49 Ų | 49 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -36.1 | 177 | -176 | -141.1 | 0 | 0 | 0 | 112.5 | G16 D17 E20 L247 D248 A249 | G16-H251 VanDerWaalsContact CA-CD2 3.48Å; G16-H251 WeakPolarHBondContact CA-CD2 3.43Å; D17-H251 IonicContact OD1-CD2 3.3Å; D17-H251 IonicContact OD1-CE1 3.21Å; D17-H251 IonicContact OD1-NE2 3.38Å; D17-H251 PolarHBondContact OD1-NE2 3.17Å; E20-H251 IonicContact OE1-CE1 2.88Å; E20-H251 PolarHBondContact OE1-CE1 2.83Å; E20-H251 IonicContact OE1-ND1 3.21Å; E20-H251 PolarHBondContact OE1-ND1 2.91Å; E20-H251 IonicContact OE2-CE1 3.54Å; E20-H251 PolarHBondContact OE2-CE1 3.11Å; L247-H251 PolarHBondContact O-N 2.83Å; D248-H251 PolarHBondContact O-N 2.81Å; A249-H251 VanDerWaalsContact C-N 3.31Å; A249-H251 PolarHBondContact O-N 2.73Å |
| 252 | R | 86.7 | Confident | 91.3 | Very high | 159 Ų | 159 | 44.7 Ų | 44.7 | 60% | 0.6 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -77.6 | -40.5 | 177.6 | -68.7 | -171.3 | -57.4 | -94 | -3.3 | 114 | D248 A249 L250 | D248-R252 WeakPolarHBondContact O-CG 3.36Å; D248-R252 PolarHBondContact O-N 2.78Å; D248-R252 PolarHBondContact O-NH1 2.81Å; A249-R252 PolarHBondContact O-N 2.86Å; L250-R252 VanDerWaalsContact C-N 3.32Å; L250-R252 PolarHBondContact O-N 2.97Å |
| 253 | D | 81.4 | Confident | 91.3 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 81.5 | -162 | -58.8 | -31.5 | 0 | 0 | 0 | 112.4 | A249 G255 S258 | A249-D253 WeakPolarHBondContact O-CB 3.11Å; A249-D253 PolarHBondContact O-N 2.91Å; D253-G255 PolarHBondContact O-N 2.94Å; D253-S258 PolarHBondContact O-OG 3.32Å |
| 254 | D | 80.2 | Confident | 91.3 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 13.9 | 175.9 | -72.8 | -29 | 0 | 0 | 0 | 116.4 | S257 | D254-S257 WeakPolarHBondContact O-CB 3.36Å; D254-S257 PolarHBondContact O-N 2.79Å; D254-S257 PolarHBondContact O-OG 3.3Å |
| 255 | G | 86.6 | Confident | 91.5 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -153.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L250 D253 S257 S258 | L250-G255 WeakPolarHBondContact O-CA 3.48Å; L250-G255 PolarHBondContact O-N 2.93Å; L250-G255 VanDerWaalsContact O-N 3.12Å; D253-G255 PolarHBondContact O-N 2.94Å; G255-S257 PolarHBondContact O-N 3.26Å; G255-S258 PolarHBondContact O-N 2.85Å; G255-S258 PolarHBondContact O-OG 3.42Å |
| 256 | I | 92 | Very high | 91.6 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -16.5 | 176.6 | -164.3 | 171.7 | 0 | 0 | 0 | 113.9 | L233 S258 I259 L260 F365 I369 P375 L378 | L233-I256 HydrophobicContact CD2-CD1 3.99Å; L233-I256 HydrophobicContact CD2-CG1 4.26Å; I256-S258 VanDerWaalsContact C-N 3.25Å; I256-S258 PolarHBondContact O-N 2.95Å; I256-I259 WeakPolarHBondContact O-CB 3.44Å; I256-I259 PolarHBondContact O-N 3.02Å; I256-I259 VanDerWaalsContact O-N 3.09Å; I256-L260 HydrophobicContact CG1-CD1 4.27Å; I256-L260 HydrophobicContact CG1-CG 4.16Å; I256-L260 HydrophobicContact CG2-CD1 4.38Å; I256-L260 WeakPolarHBondContact O-CG 3.11Å; I256-L260 PolarHBondContact O-N 3.04Å; I256-F365 HydrophobicContact CD1-CE1 3.78Å; I256-F365 HydrophobicContact CD1-CZ 3.95Å; I256-F365 HydrophobicContact CG1-CE1 4.37Å; I256-I369 HydrophobicContact CD1-CD1 3.91Å; I256-P375 HydrophobicContact CD1-CB 4.24Å; I256-P375 HydrophobicContact CG2-CB 4.11Å; I256-P375 HydrophobicContact CG2-CG 3.8Å; I256-L378 HydrophobicContact CB-CD2 4.33Å; I256-L378 HydrophobicContact CD1-CD2 3.4Å; I256-L378 VanDerWaalsContact CD1-CD2 3.4Å; I256-L378 HydrophobicContact CG1-CD2 4.46Å; I256-L378 HydrophobicContact CG2-CD2 4.18Å |
| 257 | S | 90.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -32.8 | 180 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | D254 G255 I259 L260 S261 | D254-S257 WeakPolarHBondContact O-CB 3.36Å; D254-S257 PolarHBondContact O-N 2.79Å; D254-S257 PolarHBondContact O-OG 3.3Å; G255-S257 PolarHBondContact O-N 3.26Å; S257-I259 VanDerWaalsContact C-N 3.32Å; S257-L260 PolarHBondContact O-N 2.53Å; S257-S261 WeakPolarHBondContact O-CB 3.06Å; S257-S261 PolarHBondContact O-N 3.07Å; S257-S261 VanDerWaalsContact O-N 3.1Å; S257-S261 PolarHBondContact O-OG 3.14Å |
| 258 | S | 90.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 174.8 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | D253 G255 I256 S261 S262 | D253-S258 PolarHBondContact O-OG 3.32Å; G255-S258 PolarHBondContact O-N 2.85Å; G255-S258 PolarHBondContact O-OG 3.42Å; I256-S258 VanDerWaalsContact C-N 3.25Å; I256-S258 PolarHBondContact O-N 2.95Å; S258-S261 PolarHBondContact O-OG 2.77Å; S258-S262 PolarHBondContact O-OG 2.83Å; S258-S262 VanDerWaalsContact O-OG 3.08Å |
| 259 | I | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.1 | -49.4 | 174.8 | -60.4 | -173.9 | 0 | 0 | 0 | 110.6 | L213 L216 A220 L233 V235 L250 I256 S257 S261 S262 F264 | L213-I259 HydrophobicContact CD1-CD1 4.02Å; L213-I259 HydrophobicContact CD1-CG1 4.04Å; L213-I259 HydrophobicContact CD1-CG2 4.11Å; L216-I259 HydrophobicContact CD1-CD1 3.86Å; L216-I259 HydrophobicContact CD1-CG1 3.74Å; A220-I259 HydrophobicContact CB-CG2 4.25Å; L233-I259 HydrophobicContact CD1-CG2 4.49Å; L233-I259 HydrophobicContact CD2-CG2 4.1Å; V235-I259 HydrophobicContact CB-CD1 4.34Å; V235-I259 HydrophobicContact CG1-CD1 3.93Å; V235-I259 HydrophobicContact CG2-CD1 3.59Å; V235-I259 HydrophobicContact CG2-CG2 4.27Å; L250-I259 HydrophobicContact CD2-CD1 3.71Å; L250-I259 HydrophobicContact CD2-CG1 4.13Å; I256-I259 WeakPolarHBondContact O-CB 3.44Å; I256-I259 PolarHBondContact O-N 3.02Å; I256-I259 VanDerWaalsContact O-N 3.09Å; S257-I259 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 3.46Å; I259-S262 WeakPolarHBondContact O-CB 3.43Å; I259-S262 PolarHBondContact O-N 3.09Å; I259-S262 PolarHBondContact O-OG 3.35Å; I259-F264 HydrophobicContact CG2-CZ 4.16Å; I259-F264 WeakPolarHBondContact O-CE2 3.43Å |
| 260 | L | 94.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.8 | -23.3 | -175.4 | -65 | 175.2 | 0 | 0 | 0 | 113.9 | L233 I256 S257 I369 | L233-L260 HydrophobicContact CD2-CD2 3.91Å; I256-L260 HydrophobicContact CG1-CD1 4.27Å; I256-L260 HydrophobicContact CG1-CG 4.16Å; I256-L260 HydrophobicContact CG2-CD1 4.38Å; I256-L260 WeakPolarHBondContact O-CG 3.11Å; I256-L260 PolarHBondContact O-N 3.04Å; S257-L260 PolarHBondContact O-N 2.53Å; L260-I369 HydrophobicContact CD1-CD1 4Å; L260-I369 HydrophobicContact CD2-CD1 3.75Å; L260-I369 HydrophobicContact CD2-CG1 3.85Å; L260-I369 HydrophobicContact CD2-CG2 4.04Å; L260-I369 HydrophobicContact CG-CD1 4.44Å |
| 261 | S | 92.7 | Very high | 92.4 | Very high | 99 Ų | 99 | 54.9 Ų | 54.9 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | S257 S258 I259 | S257-S261 WeakPolarHBondContact O-CB 3.06Å; S257-S261 PolarHBondContact O-N 3.07Å; S257-S261 VanDerWaalsContact O-N 3.1Å; S257-S261 PolarHBondContact O-OG 3.14Å; S258-S261 PolarHBondContact O-OG 2.77Å; I259-S261 PolarHBondContact O-N 3.46Å |
| 262 | S | 95.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.1 | 157.5 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 112 | L213 S258 I259 F264 | L213-S262 WeakPolarHBondContact CD2-OG 3.41Å; S258-S262 PolarHBondContact O-OG 2.83Å; S258-S262 VanDerWaalsContact O-OG 3.08Å; I259-S262 WeakPolarHBondContact O-CB 3.43Å; I259-S262 PolarHBondContact O-N 3.09Å; I259-S262 PolarHBondContact O-OG 3.35Å; S262-F264 WeakPolarHBondContact O-CD2 3.49Å; S262-F264 PolarHBondContact O-N 2.9Å; S262-F264 VanDerWaalsContact O-N 3.07Å |
| 263 | N | 95.2 | Very high | 93.4 | Very high | 116 Ų | 116 | 46.2 Ų | 46.2 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | trans | -82.2 | 86.4 | -178.8 | -174.2 | 31.6 | 0 | 0 | 0 | 111.4 | T211 K265 | T211-N263 PolarHBondContact OG1-O 2.86Å; N263-K265 WeakPolarHBondContact ND2-CE 3.46Å | ||
| 264 | F | 97 | Very high | 94.1 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | trans | -66.6 | 135.8 | 169 | -71.6 | -97.5 | 0 | 0 | 0 | 110.5 | D209 M210 T211 A220 K222 L233 I259 S262 | D209-F264 HydrophobicContact CB-CB 4.02Å; D209-F264 HydrophobicContact CB-CD1 4.22Å; D209-F264 HydrophobicContact CB-CG 4.5Å; M210-F264 WeakPolarHBondContact O-CA 3.41Å; T211-F264 HydrophobicContact CG2-CD1 3.94Å; T211-F264 HydrophobicContact CG2-CD2 4.21Å; T211-F264 HydrophobicContact CG2-CE1 3.65Å; T211-F264 HydrophobicContact CG2-CE2 3.93Å; T211-F264 HydrophobicContact CG2-CG 4.21Å; T211-F264 HydrophobicContact CG2-CZ 3.64Å; A220-F264 HydrophobicContact CB-CE1 4.02Å; A220-F264 HydrophobicContact CB-CZ 4.09Å; K222-F264 HydrophobicContact CD-CD1 4.21Å; K222-F264 HydrophobicContact CD-CE1 4.29Å; K222-F264 HydrophobicContact CD-CG 4.41Å; K222-F264 HydrophobicContact CG-CD1 4.12Å; K222-F264 HydrophobicContact CG-CE1 3.88Å; K222-F264 HydrophobicContact CG-CZ 4.36Å; L233-F264 HydrophobicContact CD1-CE1 4.08Å; L233-F264 HydrophobicContact CD1-CZ 3.89Å; I259-F264 HydrophobicContact CG2-CZ 4.16Å; I259-F264 WeakPolarHBondContact O-CE2 3.43Å; S262-F264 WeakPolarHBondContact O-CD2 3.49Å; S262-F264 PolarHBondContact O-N 2.9Å; S262-F264 VanDerWaalsContact O-N 3.07Å | ||
| 265 | K | 96.4 | Very high | 94.7 | Very high | 130 Ų | 130 | 38.7 Ų | 38.7 | 57% | 0.565 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.3 | 177.4 | -63 | 179.8 | -176.9 | 176.1 | 0 | 109.4 | D209 M210 N263 T267 | D209-K265 WeakPolarHBondContact CA-O 3.28Å; M210-K265 PolarHBondContact N-O 2.96Å; M210-K265 PolarHBondContact O-N 3.45Å; N263-K265 WeakPolarHBondContact ND2-CE 3.46Å; K265-T267 PolarHBondContact O-N 3.32Å; K265-T267 VanDerWaalsContact O-N 3.16Å; K265-T267 PolarHBondContact O-OG1 3.21Å |
| 266 | D | 96.2 | Very high | 94.9 | Very high | 114 Ų | 114 | 38.7 Ų | 38.7 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 111.7 | 170.1 | -175.4 | 36.1 | 0 | 0 | 0 | 109.7 | S207 | S207-D266 WeakPolarHBondContact CB-OD1 3.4Å |
| 267 | T | 95.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.1 | -172.8 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | S207 F208 M210 K265 L269 E356 | S207-T267 VanDerWaalsContact CA-O 3.31Å; S207-T267 WeakPolarHBondContact CA-O 3.28Å; F208-T267 PolarHBondContact N-O 2.99Å; F208-T267 PolarHBondContact O-N 3.36Å; M210-T267 HydrophobicContact SD-CG2 4.41Å; K265-T267 PolarHBondContact O-N 3.32Å; K265-T267 VanDerWaalsContact O-N 3.16Å; K265-T267 PolarHBondContact O-OG1 3.21Å; T267-L269 HydrophobicContact CG2-CD2 4.27Å; T267-E356 WeakPolarHBondContact CG2-OE2 3.37Å |
| 268 | S | 96 | Very high | 94.4 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.3 | 175.4 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | S207 S354 | S207-S268 PolarHBondContact OG-OG 3.09Å; S268-S354 PolarHBondContact O-OG 2.92Å |
| 269 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164.6 | -169.6 | 64 | 82.5 | 0 | 0 | 0 | 113.7 | N205 S206 F208 M210 I221 T267 L271 E356 F358 | N205-L269 PolarHBondContact OD1-O 2.64Å; S206-L269 PolarHBondContact N-O 2.73Å; S206-L269 PolarHBondContact O-N 2.67Å; F208-L269 HydrophobicContact CD2-CD1 4.1Å; F208-L269 HydrophobicContact CD2-CG 4.35Å; M210-L269 HydrophobicContact CB-CD2 4.43Å; M210-L269 HydrophobicContact SD-CD2 3.5Å; M210-L269 VanDerWaalsContact SD-CD2 3.5Å; I221-L269 HydrophobicContact CD1-CD1 4.15Å; I221-L269 HydrophobicContact CD1-CD2 4.01Å; T267-L269 HydrophobicContact CG2-CD2 4.27Å; L269-L271 HydrophobicContact CD1-CB 3.72Å; L269-E356 CarbonylContact C-O 3.46Å; L269-E356 VanDerWaalsContact CA-O 3.3Å; L269-E356 WeakPolarHBondContact CA-O 3.33Å; L269-E356 HydrophobicContact CB-CB 4.24Å; L269-E356 HydrophobicContact CB-CG 4.41Å; L269-E356 VanDerWaalsContact CB-O 3.29Å; L269-E356 WeakPolarHBondContact CB-O 3.49Å; L269-F358 HydrophobicContact CD1-CB 3.95Å; L269-F358 HydrophobicContact CD2-CB 4.28Å |
| 270 | H | 96.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.8 | 166.1 | -65.7 | -67.4 | 0 | 0 | 0 | 110.7 | Y203 N205 Y272 E356 E357 F358 | Y203-H270 HydrophobicContact CE2-CB 4.12Å; Y203-H270 AromaticContact CE2-ND1 3.74Å; Y203-H270 AromaticContact CZ-ND1 3.73Å; Y203-H270 PolarHBondContact OH-CE1 3.47Å; Y203-H270 PolarHBondContact OH-ND1 2.94Å; N205-H270 PolarHBondContact ND2-CE1 3.39Å; H270-Y272 HydrophobicContact CB-CE2 3.76Å; H270-E356 PolarHBondContact N-O 3.32Å; H270-E357 HydrophobicContact CB-CG 4.18Å; H270-F358 PolarHBondContact O-N 2.7Å |
| 271 | L | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.4 | 179.7 | 178.6 | 57.7 | 0 | 0 | 0 | 110.2 | F179 Y203 M204 F208 I221 I223 L269 F358 | F179-L271 HydrophobicContact CE1-CD2 4.14Å; F179-L271 HydrophobicContact CE1-CG 4.26Å; F179-L271 HydrophobicContact CZ-CD2 3.78Å; F179-L271 HydrophobicContact CZ-CG 4.29Å; Y203-L271 WeakPolarHBondContact CA-O 2.88Å; M204-L271 HydrophobicContact CG-CB 4.2Å; M204-L271 PolarHBondContact N-O 3.46Å; M204-L271 VanDerWaalsContact N-O 3.1Å; M204-L271 PolarHBondContact O-N 3.12Å; F208-L271 HydrophobicContact CD2-CD2 4.24Å; F208-L271 HydrophobicContact CE1-CD2 4.41Å; F208-L271 HydrophobicContact CE2-CB 4.01Å; F208-L271 HydrophobicContact CE2-CD2 3.64Å; F208-L271 HydrophobicContact CE2-CG 4.48Å; F208-L271 HydrophobicContact CZ-CD2 3.74Å; I221-L271 HydrophobicContact CD1-CD1 3.91Å; I221-L271 HydrophobicContact CD1-CD2 4.41Å; I223-L271 HydrophobicContact CD1-CD2 3.76Å; I223-L271 HydrophobicContact CG1-CD2 4.06Å; L269-L271 HydrophobicContact CD1-CB 3.72Å; L271-F358 HydrophobicContact CD1-CB 4.24Å; L271-F358 HydrophobicContact CD1-CD1 4.05Å |
| 272 | Y | 97.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.1 | 169.7 | -53.2 | -103 | 0 | 0 | 0 | 110.1 | H185 L201 M202 Y203 H270 E357 F358 R359 V360 | H185-Y272 AromaticContact CE1-CD1 3.91Å; H185-Y272 AromaticContact CE1-CE1 3.91Å; L201-Y272 HydrophobicContact CD2-CD1 3.79Å; L201-Y272 HydrophobicContact CD2-CG 4.08Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; M202-Y272 VanDerWaalsContact O-CA 3.28Å; M202-Y272 WeakPolarHBondContact O-CA 3.47Å; Y203-Y272 AromaticContact CD2-CD1 3.67Å; Y203-Y272 HydrophobicContact CD2-CD1 3.67Å; Y203-Y272 HydrophobicContact CD2-CD2 4.45Å; Y203-Y272 AromaticContact CD2-CE1 3.28Å; Y203-Y272 HydrophobicContact CD2-CE1 3.28Å; Y203-Y272 HydrophobicContact CD2-CE2 4.13Å; Y203-Y272 HydrophobicContact CD2-CG 4.24Å; Y203-Y272 AromaticContact CD2-CZ 3.54Å; Y203-Y272 AromaticContact CE2-CE1 3.8Å; Y203-Y272 HydrophobicContact CE2-CE1 3.8Å; Y203-Y272 HydrophobicContact CE2-CE2 4.16Å; Y203-Y272 AromaticContact CE2-CZ 3.58Å; Y203-Y272 HydrophobicContact CG-CD1 4.4Å; Y203-Y272 HydrophobicContact CG-CE1 4.16Å; H270-Y272 HydrophobicContact CB-CE2 3.76Å; Y272-E357 HydrophobicContact CE2-CG 4.41Å; Y272-E357 WeakPolarHBondContact CE2-OE1 3.37Å; Y272-E357 PolarHBondContact OH-OE1 3.12Å; Y272-E357 VanDerWaalsContact OH-OE1 3.12Å; Y272-F358 PolarHBondContact N-O 2.87Å; Y272-R359 HydrophobicContact CD2-CB 4.06Å; Y272-R359 HydrophobicContact CD2-CG 4.27Å; Y272-R359 HydrophobicContact CG-CB 4.48Å; Y272-R359 HydrophobicContact CG-CG 4.26Å; Y272-R359 PolarHBondContact OH-NH2 2.81Å; Y272-R359 VanDerWaalsContact OH-NH2 3.17Å; Y272-V360 WeakPolarHBondContact O-CB 3.3Å; Y272-V360 PolarHBondContact O-N 3.34Å |
| 273 | L | 97.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.9 | -176.2 | -174.2 | 71.7 | 0 | 0 | 0 | 109.4 | F179 M202 I223 L232 I234 F276 V328 V360 | F179-L273 HydrophobicContact CE1-CB 4.49Å; F179-L273 HydrophobicContact CE2-CD2 4.45Å; F179-L273 HydrophobicContact CZ-CB 4.15Å; F179-L273 HydrophobicContact CZ-CD2 4.23Å; M202-L273 WeakPolarHBondContact CA-O 3.4Å; M202-L273 VanDerWaalsContact CB-O 3.29Å; M202-L273 WeakPolarHBondContact CB-O 3.32Å; M202-L273 HydrophobicContact CE-CB 4.09Å; M202-L273 HydrophobicContact CE-CD2 3.81Å; M202-L273 HydrophobicContact CE-CG 4.05Å; M202-L273 WeakPolarHBondContact CG-O 3.47Å; M202-L273 PolarHBondContact N-O 3.48Å; M202-L273 PolarHBondContact O-N 3.3Å; I223-L273 HydrophobicContact CD1-CD2 3.9Å; L232-L273 HydrophobicContact CD2-CD2 4.38Å; I234-L273 HydrophobicContact CD1-CD1 4.29Å; I234-L273 HydrophobicContact CG1-CD1 4.15Å; L273-F276 HydrophobicContact CD1-CE1 4.42Å; L273-V328 HydrophobicContact CD2-CG1 3.97Å; L273-V360 HydrophobicContact CD1-CB 4.2Å; L273-V360 HydrophobicContact CD1-CG1 4.35Å; L273-V360 HydrophobicContact CD1-CG2 3.96Å |
| 274 | P | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 151.7 | 178.8 | 28.7 | -31.2 | 0 | 0 | 0 | 108.5 | F189 V199 L201 F276 V360 F364 P384 | F189-P274 HydrophobicContact CE2-CG 4.36Å; V199-P274 HydrophobicContact CG2-CB 4.2Å; L201-P274 HydrophobicContact CD1-CB 4.33Å; P274-F276 HydrophobicContact CG-CD1 4.33Å; P274-F276 VanDerWaalsContact O-CD1 3.31Å; P274-F276 WeakPolarHBondContact O-CD1 3.12Å; P274-V360 VanDerWaalsContact CD-O 3.27Å; P274-V360 WeakPolarHBondContact CD-O 3.28Å; P274-V360 HydrophobicContact CG-CG1 4.22Å; P274-F364 HydrophobicContact CG-CE1 4Å; P274-F364 HydrophobicContact CG-CZ 4.33Å; P274-P384 HydrophobicContact CB-CB 4.25Å; P274-P384 HydrophobicContact CG-CB 4.45Å |
| 275 | K | 93.1 | Very high | 88.9 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | trans | -67.5 | 136 | 155.5 | -61.7 | -171.1 | -169.1 | -161 | 0 | 107.8 | K200 M202 V328 E330 | K200-K275 HydrophobicContact CG-CD 4.46Å; K200-K275 PolarHBondContact O-N 3.07Å; M202-K275 HydrophobicContact CG-CG 3.9Å; M202-K275 HydrophobicContact SD-CG 3.87Å; K275-V328 WeakPolarHBondContact CA-O 3.34Å; K275-E330 WeakPolarHBondContact CE-OE1 3.49Å; K275-E330 WeakPolarHBondContact CE-OE2 3.37Å; K275-E330 IonicContact NZ-OE1 3.43Å; K275-E330 PolarHBondContact NZ-OE1 2.93Å; K275-E330 IonicContact NZ-OE2 2.76Å; K275-E330 PolarHBondContact NZ-OE2 3.47Å | ||
| 276 | F | 91.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.9 | 175.6 | 63.8 | -87.5 | 0 | 0 | 0 | 111.9 | L273 P274 L278 L326 V328 F364 V366 V381 P384 | L273-F276 HydrophobicContact CD1-CE1 4.42Å; P274-F276 HydrophobicContact CG-CD1 4.33Å; P274-F276 VanDerWaalsContact O-CD1 3.31Å; P274-F276 WeakPolarHBondContact O-CD1 3.12Å; F276-L278 HydrophobicContact CD2-CD1 4.46Å; F276-L278 HydrophobicContact CD2-CG 4.15Å; F276-L278 HydrophobicContact CE2-CD1 4.24Å; F276-L278 HydrophobicContact CE2-CG 4.4Å; F276-L326 HydrophobicContact CE2-CD2 3.65Å; F276-L326 HydrophobicContact CE2-CG 4.45Å; F276-L326 HydrophobicContact CZ-CD2 4.18Å; F276-V328 HydrophobicContact CD1-CB 3.78Å; F276-V328 HydrophobicContact CD1-CG1 4.18Å; F276-V328 HydrophobicContact CD1-CG2 4.02Å; F276-V328 HydrophobicContact CD2-CB 4.45Å; F276-V328 HydrophobicContact CD2-CG2 4Å; F276-V328 HydrophobicContact CE1-CB 3.57Å; F276-V328 HydrophobicContact CE1-CG1 3.7Å; F276-V328 HydrophobicContact CE1-CG2 3.49Å; F276-V328 VanDerWaalsContact CE1-CG2 3.49Å; F276-V328 HydrophobicContact CE2-CB 4.31Å; F276-V328 HydrophobicContact CE2-CG2 3.49Å; F276-V328 VanDerWaalsContact CE2-CG2 3.49Å; F276-V328 HydrophobicContact CG-CB 4.22Å; F276-V328 HydrophobicContact CG-CG2 4.26Å; F276-V328 HydrophobicContact CZ-CB 3.87Å; F276-V328 HydrophobicContact CZ-CG1 4.23Å; F276-V328 HydrophobicContact CZ-CG2 3.2Å; F276-V328 PolarHBondContact N-O 3.48Å; F276-V328 PolarHBondContact O-N 3.01Å; F276-F364 AromaticContact CD1-CZ 3.89Å; F276-F364 HydrophobicContact CD1-CZ 3.89Å; F276-F364 HydrophobicContact CE1-CE2 4.08Å; F276-F364 AromaticContact CE1-CZ 3.72Å; F276-F364 HydrophobicContact CE1-CZ 3.72Å; F276-F364 HydrophobicContact CE2-CE2 4.44Å; F276-F364 HydrophobicContact CE2-CZ 4.36Å; F276-F364 HydrophobicContact CG-CZ 4.3Å; F276-F364 AromaticContact CZ-CE2 3.94Å; F276-F364 HydrophobicContact CZ-CE2 3.94Å; F276-F364 AromaticContact CZ-CZ 3.96Å; F276-F364 HydrophobicContact CZ-CZ 3.96Å; F276-V366 HydrophobicContact CZ-CG2 4.21Å; F276-V381 HydrophobicContact CD2-CG2 3.83Å; F276-V381 HydrophobicContact CE2-CG2 3.83Å; F276-V381 HydrophobicContact CG-CG2 4.46Å; F276-P384 VanDerWaalsContact CA-O 3.25Å; F276-P384 WeakPolarHBondContact CA-O 3.4Å; F276-P384 HydrophobicContact CB-CB 3.53Å |
| 277 | K | 87.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 31.4 Ų | 31.4 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.7 | 174.7 | -174.4 | 162.3 | 158.7 | -161.4 | 0 | 109.5 | K279 L326 E327 P384 D386 | K277-K279 HydrophobicContact CD-CB 4.48Å; K277-K279 HydrophobicContact CG-CB 4.03Å; K277-L326 CarbonylContact C-O 3.6Å; K277-L326 VanDerWaalsContact CA-O 3.28Å; K277-L326 WeakPolarHBondContact CA-O 3.27Å; K277-E327 HydrophobicContact CB-CG 4.39Å; K277-E327 HydrophobicContact CD-CB 4.27Å; K277-E327 HydrophobicContact CD-CG 3.98Å; K277-E327 HydrophobicContact CG-CB 4.24Å; K277-E327 HydrophobicContact CG-CG 4.29Å; K277-P384 PolarHBondContact N-O 3.08Å; K277-D386 WeakPolarHBondContact CD-OD2 3.48Å; K277-D386 WeakPolarHBondContact CE-OD2 3.44Å; K277-D386 WeakPolarHBondContact CG-OD2 3.32Å; K277-D386 IonicContact NZ-OD2 2.63Å; K277-D386 PolarHBondContact NZ-OD2 2.96Å |
| 278 | L | 83.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 87.3 | 173.5 | -60.8 | 178.8 | 0 | 0 | 0 | 106.1 | N28 F30 F276 I325 L326 V366 V381 | N28-L278 HydrophobicContact CB-CD2 3.57Å; N28-L278 WeakPolarHBondContact ND2-CD2 3.39Å; F30-L278 HydrophobicContact CB-CB 3.8Å; F30-L278 HydrophobicContact CB-CD1 3.72Å; F30-L278 HydrophobicContact CB-CG 4.34Å; F30-L278 HydrophobicContact CD2-CD1 3.58Å; F30-L278 HydrophobicContact CE2-CD1 4.4Å; F30-L278 HydrophobicContact CG-CB 4.13Å; F30-L278 HydrophobicContact CG-CD1 3.77Å; F276-L278 HydrophobicContact CD2-CD1 4.46Å; F276-L278 HydrophobicContact CD2-CG 4.15Å; F276-L278 HydrophobicContact CE2-CD1 4.24Å; F276-L278 HydrophobicContact CE2-CG 4.4Å; L278-I325 WeakPolarHBondContact O-CA 3.4Å; L278-L326 HydrophobicContact CB-CB 4.11Å; L278-L326 HydrophobicContact CD1-CB 4.46Å; L278-L326 HydrophobicContact CD1-CD2 4.18Å; L278-L326 PolarHBondContact N-O 2.92Å; L278-L326 PolarHBondContact O-N 3.49Å; L278-V366 HydrophobicContact CD1-CG1 4.05Å; L278-V381 HydrophobicContact CD1-CG2 3.95Å; L278-V381 HydrophobicContact CD2-CG2 4.03Å; L278-V381 HydrophobicContact CG-CG2 4.31Å |
| 279 | K | 70.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 32.8 Ų | 32.8 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | trans | -122.1 | 73.1 | 175.6 | -175 | -174.6 | 174.1 | -159.5 | 0 | 107.7 | K277 I325 | K277-K279 HydrophobicContact CD-CB 4.48Å; K277-K279 HydrophobicContact CG-CB 4.03Å; K279-I325 HydrophobicContact CB-CG2 4.33Å; K279-I325 HydrophobicContact CD-CD1 4.38Å; K279-I325 HydrophobicContact CG-CD1 3.87Å; K279-I325 HydrophobicContact CG-CG1 4.15Å | ||
| 280 | E | 58.9 | Low | 88.4 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | trans | -72.3 | 149.9 | -178.4 | -56.5 | -150.7 | 130.9 | 0 | 0 | 111.9 | K22 N28 K323 | K22-E280 IonicContact NZ-OE2 2.7Å; K22-E280 PolarHBondContact NZ-OE2 3.16Å; N28-E280 WeakPolarHBondContact CA-OE1 3.15Å; N28-E280 VanDerWaalsContact CB-OE1 3.32Å; N28-E280 WeakPolarHBondContact CB-OE1 3.39Å; N28-E280 VanDerWaalsContact O-CD 3.3Å; E280-K323 WeakPolarHBondContact O-CE 3.28Å | ||
| 281 | G | 69.8 | Low | 88.3 | Confident | 55 Ų | 55 | 33.1 Ų | 33.1 | 57% | 0.567 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -48.4 | -107.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K323 | G281-K323 WeakPolarHBondContact O-CE 3.28Å; G281-K323 PolarHBondContact O-NZ 3.46Å |
| 282 | N | 79.3 | Confident | 88.1 | Confident | 107 Ų | 107 | 40 Ų | 40 | 57% | 0.572 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -74.6 | 156.7 | 175.3 | -69.5 | -36.1 | 0 | 0 | 0 | 110.2 | L151 | L151-N282 CarbonylContact O-C 3.56Å; L151-N282 WeakPolarHBondContact O-CA 3.19Å |
| 283 | A | 85.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 140.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L151 S285 L321 H322 K323 | L151-A283 HydrophobicContact CB-CB 4.3Å; L151-A283 HydrophobicContact CD2-CB 4.44Å; L151-A283 WeakPolarHBondContact O-CB 3.44Å; L151-A283 PolarHBondContact O-N 2.85Å; A283-S285 PolarHBondContact O-N 3.46Å; A283-L321 HydrophobicContact CB-CB 4.03Å; A283-H322 CarbonylContact C-O 3.56Å; A283-H322 WeakPolarHBondContact CA-O 3.12Å; A283-H322 WeakPolarHBondContact CB-O 3.1Å; A283-K323 HydrophobicContact CB-CB 4.13Å |
| 284 | I | 88.2 | Confident | 87.8 | Confident | 27 Ų | 27 | 40.9 Ų | 40.9 | 14% | 0.138 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120.7 | 178.1 | -53.1 | 174.6 | 0 | 0 | 0 | 106.9 | I18 L31 L286 H322 | I18-I284 HydrophobicContact CD1-CG2 4.47Å; L31-I284 HydrophobicContact CB-CD1 4.37Å; L31-I284 HydrophobicContact CD2-CD1 4.38Å; I284-L286 HydrophobicContact CB-CD2 4.31Å; I284-L286 HydrophobicContact CG2-CD2 3.9Å; I284-H322 PolarHBondContact N-O 2.84Å; I284-H322 PolarHBondContact O-N 2.85Å |
| 285 | S | 92 | Very high | 87.9 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 126.9 | 164.9 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | A283 D319 | A283-S285 PolarHBondContact O-N 3.46Å; S285-D319 WeakPolarHBondContact CB-OD1 3.35Å; S285-D319 VanDerWaalsContact OG-CG 3.26Å; S285-D319 PolarHBondContact OG-OD1 3.21Å; S285-D319 PolarHBondContact OG-OD2 3.3Å |
| 286 | L | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -93.9 | -4.2 | -178.4 | -53.9 | -174 | 0 | 0 | 0 | 112.9 | F14 I18 V36 I284 D288 C289 L290 I320 H322 | F14-L286 HydrophobicContact CZ-CD1 4.03Å; F14-L286 HydrophobicContact CZ-CD2 3.85Å; F14-L286 HydrophobicContact CZ-CG 4.48Å; I18-L286 HydrophobicContact CD1-CD2 4.01Å; V36-L286 HydrophobicContact CB-CD1 4.22Å; V36-L286 HydrophobicContact CG1-CD1 3.54Å; V36-L286 HydrophobicContact CG2-CD1 3.61Å; I284-L286 HydrophobicContact CB-CD2 4.31Å; I284-L286 HydrophobicContact CG2-CD2 3.9Å; L286-D288 PolarHBondContact O-N 3.35Å; L286-C289 PolarHBondContact O-N 3.13Å; L286-L290 HydrophobicContact CB-CD1 3.69Å; L286-L290 HydrophobicContact CB-CG 4.16Å; L286-L290 VanDerWaalsContact O-CB 3.3Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 WeakPolarHBondContact O-CD1 3.49Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.37Å; L286-I320 HydrophobicContact CB-CB 4.23Å; L286-I320 HydrophobicContact CB-CG2 4.48Å; L286-I320 HydrophobicContact CD1-CG2 3.89Å; L286-I320 HydrophobicContact CG-CG2 4.41Å; L286-I320 WeakPolarHBondContact CG-O 3.25Å; L286-I320 PolarHBondContact N-O 3.16Å; L286-H322 HydrophobicContact CD1-CB 4.05Å; L286-H322 HydrophobicContact CD2-CB 4.16Å; L286-H322 HydrophobicContact CG-CB 4.22Å | ||
| 287 | V | 93.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | -170.6 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | L290 Q291 F299 D319 | V287-L290 PolarHBondContact O-N 3.4Å; V287-Q291 HydrophobicContact CG1-CG 4.46Å; V287-Q291 WeakPolarHBondContact O-CB 3.41Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.48Å; V287-Q291 PolarHBondContact O-N 2.77Å; V287-F299 HydrophobicContact CG1-CB 4.38Å; V287-F299 HydrophobicContact CG1-CD1 4.17Å; V287-F299 HydrophobicContact CG1-CD2 4.29Å; V287-F299 HydrophobicContact CG1-CG 4.02Å; V287-F299 HydrophobicContact CG2-CD1 3.9Å; V287-F299 HydrophobicContact CG2-CE1 3.82Å; V287-F299 HydrophobicContact CG2-CZ 4.39Å; V287-D319 HydrophobicContact CG2-CB 4.39Å; V287-D319 WeakPolarHBondContact CG2-OD1 3.42Å |
| 288 | D | 93.3 | Very high | 88.8 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -44.4 | -176.6 | -68.9 | -24.3 | 0 | 0 | 0 | 112 | E21 L286 Q291 K292 | E21-D288 HydrophobicContact CG-CB 4.49Å; L286-D288 PolarHBondContact O-N 3.35Å; D288-Q291 PolarHBondContact O-N 2.7Å; D288-K292 WeakPolarHBondContact O-CG 3.37Å; D288-K292 PolarHBondContact O-N 3.41Å; D288-K292 VanDerWaalsContact O-N 3.1Å |
| 289 | C | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -51.1 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | I18 L286 Q291 K292 M293 | I18-C289 HydrophobicContact CD1-CB 3.62Å; I18-C289 VanDerWaalsContact CD1-SG 3.59Å; I18-C289 HydrophobicContact CG1-CB 4.49Å; L286-C289 PolarHBondContact O-N 3.13Å; C289-Q291 VanDerWaalsContact C-N 3.32Å; C289-Q291 PolarHBondContact O-N 3.02Å; C289-K292 WeakPolarHBondContact O-CB 3.49Å; C289-K292 PolarHBondContact O-N 2.8Å; C289-K292 VanDerWaalsContact O-N 3.09Å; C289-M293 WeakPolarHBondContact O-CG 2.85Å; C289-M293 PolarHBondContact O-N 2.84Å |
| 290 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | -178.6 | -69 | 170.4 | 0 | 0 | 0 | 112.5 | F14 L40 V58 L286 V287 M293 G294 M295 F299 I320 | F14-L290 HydrophobicContact CE2-CD2 4.41Å; L40-L290 HydrophobicContact CD1-CD2 4.21Å; L40-L290 HydrophobicContact CD2-CD1 4.07Å; L40-L290 HydrophobicContact CD2-CD2 4.12Å; V58-L290 HydrophobicContact CG1-CD2 3.87Å; L286-L290 HydrophobicContact CB-CD1 3.69Å; L286-L290 HydrophobicContact CB-CG 4.16Å; L286-L290 VanDerWaalsContact O-CB 3.3Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 WeakPolarHBondContact O-CD1 3.49Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.37Å; V287-L290 PolarHBondContact O-N 3.4Å; L290-M293 HydrophobicContact CD2-SD 4.22Å; L290-M293 PolarHBondContact O-N 2.63Å; L290-G294 PolarHBondContact O-N 3.26Å; L290-G294 VanDerWaalsContact O-N 3.08Å; L290-M295 HydrophobicContact CB-CB 4.41Å; L290-M295 HydrophobicContact CD1-SD 4.5Å; L290-M295 PolarHBondContact O-N 3.1Å; L290-F299 HydrophobicContact CB-CE2 3.96Å; L290-F299 HydrophobicContact CB-CZ 4.08Å; L290-F299 HydrophobicContact CD1-CZ 4.04Å; L290-I320 HydrophobicContact CD1-CD1 3.58Å |
| 291 | Q | 95.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 172.5 | -77.3 | -175.5 | 89.5 | 0 | 0 | 112.8 | V287 D288 C289 M293 G294 M295 K296 F299 H300 | V287-Q291 HydrophobicContact CG1-CG 4.46Å; V287-Q291 WeakPolarHBondContact O-CB 3.41Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.48Å; V287-Q291 PolarHBondContact O-N 2.77Å; D288-Q291 PolarHBondContact O-N 2.7Å; C289-Q291 VanDerWaalsContact C-N 3.32Å; C289-Q291 PolarHBondContact O-N 3.02Å; Q291-M293 VanDerWaalsContact C-N 3.33Å; Q291-G294 WeakPolarHBondContact O-CA 3.32Å; Q291-G294 PolarHBondContact O-N 3.05Å; Q291-G294 VanDerWaalsContact O-N 3.11Å; Q291-M295 VanDerWaalsContact CA-O 3.32Å; Q291-M295 WeakPolarHBondContact CA-O 3.29Å; Q291-M295 WeakPolarHBondContact CG-O 3.17Å; Q291-K296 WeakPolarHBondContact O-CE 3.31Å; Q291-F299 HydrophobicContact CG-CD2 3.57Å; Q291-F299 HydrophobicContact CG-CE2 4.07Å; Q291-F299 HydrophobicContact CG-CG 4.49Å; Q291-H300 PolarHBondContact OE1-CE1 2.97Å; Q291-H300 VanDerWaalsContact OE1-CE1 3.24Å |
| 292 | K | 93.6 | Very high | 92.7 | Very high | 145 Ų | 145 | 46 Ų | 46 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.5 | -36 | 174.6 | -72 | -178.9 | -171.9 | 179.8 | 0 | 112 | E21 D288 C289 G294 | E21-K292 WeakPolarHBondContact OE1-CE 3.09Å; E21-K292 IonicContact OE1-NZ 3.44Å; E21-K292 PolarHBondContact OE1-NZ 3.38Å; E21-K292 WeakPolarHBondContact OE2-CD 3.41Å; E21-K292 WeakPolarHBondContact OE2-CE 3.39Å; E21-K292 IonicContact OE2-NZ 2.7Å; E21-K292 PolarHBondContact OE2-NZ 3.44Å; D288-K292 WeakPolarHBondContact O-CG 3.37Å; D288-K292 PolarHBondContact O-N 3.41Å; D288-K292 VanDerWaalsContact O-N 3.1Å; C289-K292 WeakPolarHBondContact O-CB 3.49Å; C289-K292 PolarHBondContact O-N 2.8Å; C289-K292 VanDerWaalsContact O-N 3.09Å; K292-G294 PolarHBondContact O-N 2.74Å |
| 293 | M | 93.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 14% | 0.138 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69 | -15.8 | 172.3 | -61.7 | 177.3 | 84.7 | 0 | 0 | 113.2 | F10 F14 D17 V58 C289 L290 Q291 | F10-M293 HydrophobicContact CD2-CE 4.4Å; F10-M293 HydrophobicContact CE2-CE 4.21Å; F14-M293 HydrophobicContact CB-CE 4.33Å; F14-M293 HydrophobicContact CD2-CE 4.48Å; F14-M293 HydrophobicContact CD2-SD 3.88Å; D17-M293 WeakPolarHBondContact OD2-CG 3Å; V58-M293 HydrophobicContact CG1-CB 4.18Å; V58-M293 HydrophobicContact CG1-CE 4.05Å; V58-M293 HydrophobicContact CG1-SD 4.11Å; V58-M293 HydrophobicContact CG2-CB 3.82Å; C289-M293 WeakPolarHBondContact O-CG 2.85Å; C289-M293 PolarHBondContact O-N 2.84Å; L290-M293 HydrophobicContact CD2-SD 4.22Å; L290-M293 PolarHBondContact O-N 2.63Å; Q291-M293 VanDerWaalsContact C-N 3.33Å |
| 294 | G | 95.5 | Very high | 93.8 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 7.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E54 L290 Q291 K292 K296 | E54-G294 WeakPolarHBondContact CG-O 3.46Å; L290-G294 PolarHBondContact O-N 3.26Å; L290-G294 VanDerWaalsContact O-N 3.08Å; Q291-G294 WeakPolarHBondContact O-CA 3.32Å; Q291-G294 PolarHBondContact O-N 3.05Å; Q291-G294 VanDerWaalsContact O-N 3.11Å; K292-G294 PolarHBondContact O-N 2.74Å; G294-K296 PolarHBondContact O-N 2.73Å |
| 295 | M | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -86.5 | 92.9 | 170.2 | 178.8 | 178.6 | 172.4 | 0 | 0 | 109.2 | L40 I43 I55 V58 L290 Q291 A298 F299 I320 | L40-M295 HydrophobicContact CD2-CE 4.42Å; L40-M295 HydrophobicContact CD2-SD 3.87Å; I43-M295 HydrophobicContact CD1-CE 4.21Å; I43-M295 HydrophobicContact CG2-CE 3.99Å; I55-M295 HydrophobicContact CD1-CE 4.16Å; I55-M295 HydrophobicContact CG1-CE 3.71Å; I55-M295 HydrophobicContact CG1-CG 4.1Å; I55-M295 HydrophobicContact CG1-SD 3.79Å; V58-M295 HydrophobicContact CG2-CB 3.81Å; L290-M295 HydrophobicContact CB-CB 4.41Å; L290-M295 HydrophobicContact CD1-SD 4.5Å; L290-M295 PolarHBondContact O-N 3.1Å; Q291-M295 VanDerWaalsContact CA-O 3.32Å; Q291-M295 WeakPolarHBondContact CA-O 3.29Å; Q291-M295 WeakPolarHBondContact CG-O 3.17Å; M295-A298 HydrophobicContact CE-CB 3.35Å; M295-A298 HydrophobicContact CG-CB 3.99Å; M295-F299 HydrophobicContact CB-CE2 4.35Å; M295-F299 HydrophobicContact CE-CE1 4.42Å; M295-F299 HydrophobicContact CE-CE2 4.28Å; M295-F299 HydrophobicContact CE-CZ 3.84Å; M295-F299 HydrophobicContact CG-CE2 3.84Å; M295-F299 HydrophobicContact CG-CZ 4.31Å; M295-F299 WeakPolarHBondContact O-CD2 3.32Å; M295-F299 WeakPolarHBondContact O-CE2 3.42Å; M295-F299 HydrophobicContact SD-CE2 4.23Å; M295-F299 HydrophobicContact SD-CZ 4.12Å; M295-I320 HydrophobicContact CE-CD1 4.38Å | ||
| 296 | K | 97.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 41.6 Ų | 41.6 | 48% | 0.483 | 24% | 0.235 | S | C | . | . | trans | -110.2 | -49.8 | -173.4 | -64.3 | -175.8 | -178.8 | -175 | 0 | 111.7 | E54 Q291 G294 A298 F299 H300 | E54-K296 PolarHBondContact OE2-N 2.99Å; Q291-K296 WeakPolarHBondContact O-CE 3.31Å; G294-K296 PolarHBondContact O-N 2.73Å; K296-A298 PolarHBondContact O-N 3.1Å; K296-F299 PolarHBondContact O-N 2.7Å; K296-F299 VanDerWaalsContact O-N 3.08Å; K296-H300 PolarHBondContact O-ND1 2.85Å | ||
| 297 | E | 97.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -59 | -37.1 | -172 | -73.3 | -168.5 | 173.2 | 0 | 0 | 112.5 | N50 T51 E54 F299 H300 A304 | N50-E297 WeakPolarHBondContact CB-OE1 3.49Å; N50-E297 WeakPolarHBondContact CB-OE2 3.25Å; N50-E297 PolarHBondContact ND2-OE1 3.49Å; T51-E297 PolarHBondContact N-OE2 3.18Å; T51-E297 WeakPolarHBondContact OG1-CB 3.47Å; T51-E297 PolarHBondContact OG1-OE2 3.32Å; E54-E297 PolarHBondContact OE2-N 2.88Å; E297-F299 PolarHBondContact O-N 3.29Å; E297-H300 PolarHBondContact O-N 3.12Å; E297-A304 VanDerWaalsContact O-CA 3.22Å; E297-A304 WeakPolarHBondContact O-CA 3.33Å; E297-A304 VanDerWaalsContact O-CB 3.22Å; E297-A304 WeakPolarHBondContact O-CB 3.38Å; E297-A304 PolarHBondContact O-N 2.97Å |
| 298 | A | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -52.8 | -28 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | T51 M295 K296 F306 C316 I317 | T51-A298 HydrophobicContact CG2-CB 4.06Å; M295-A298 HydrophobicContact CE-CB 3.35Å; M295-A298 HydrophobicContact CG-CB 3.99Å; K296-A298 PolarHBondContact O-N 3.1Å; A298-F306 HydrophobicContact CB-CZ 3.81Å; A298-F306 WeakPolarHBondContact O-CE2 3.31Å; A298-C316 WeakPolarHBondContact O-CB 3.34Å; A298-I317 PolarHBondContact O-N 3.38Å |
| 299 | F | 95.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -103 | -8.1 | -176.4 | -51.4 | -63.4 | 0 | 0 | 0 | 113.5 | V287 L290 Q291 M295 K296 E297 C316 I317 I320 | V287-F299 HydrophobicContact CG1-CB 4.38Å; V287-F299 HydrophobicContact CG1-CD1 4.17Å; V287-F299 HydrophobicContact CG1-CD2 4.29Å; V287-F299 HydrophobicContact CG1-CG 4.02Å; V287-F299 HydrophobicContact CG2-CD1 3.9Å; V287-F299 HydrophobicContact CG2-CE1 3.82Å; V287-F299 HydrophobicContact CG2-CZ 4.39Å; L290-F299 HydrophobicContact CB-CE2 3.96Å; L290-F299 HydrophobicContact CB-CZ 4.08Å; L290-F299 HydrophobicContact CD1-CZ 4.04Å; Q291-F299 HydrophobicContact CG-CD2 3.57Å; Q291-F299 HydrophobicContact CG-CE2 4.07Å; Q291-F299 HydrophobicContact CG-CG 4.49Å; M295-F299 HydrophobicContact CB-CE2 4.35Å; M295-F299 HydrophobicContact CE-CE1 4.42Å; M295-F299 HydrophobicContact CE-CE2 4.28Å; M295-F299 HydrophobicContact CE-CZ 3.84Å; M295-F299 HydrophobicContact CG-CE2 3.84Å; M295-F299 HydrophobicContact CG-CZ 4.31Å; M295-F299 WeakPolarHBondContact O-CD2 3.32Å; M295-F299 WeakPolarHBondContact O-CE2 3.42Å; M295-F299 HydrophobicContact SD-CE2 4.23Å; M295-F299 HydrophobicContact SD-CZ 4.12Å; K296-F299 PolarHBondContact O-N 2.7Å; K296-F299 VanDerWaalsContact O-N 3.08Å; E297-F299 PolarHBondContact O-N 3.29Å; F299-C316 PolarHBondContact O-SG 2.95Å; F299-C316 VanDerWaalsContact O-SG 3.42Å; F299-I317 WeakPolarHBondContact CA-O 3.41Å; F299-I317 HydrophobicContact CD1-CB 4.14Å; F299-I317 HydrophobicContact CD1-CG2 4.11Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.29Å; F299-I317 HydrophobicContact CE1-CG2 3.94Å; F299-I320 HydrophobicContact CE1-CD1 3.78Å; F299-I320 HydrophobicContact CE1-CG1 4.07Å; F299-I320 HydrophobicContact CZ-CD1 3.8Å |
| 300 | H | 92.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 38% | 0.384 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -102.8 | 120.2 | -174.6 | -72.7 | 84.3 | 0 | 0 | 0 | 111.8 | Q291 K296 E297 G302 S303 A304 | Q291-H300 PolarHBondContact OE1-CE1 2.97Å; Q291-H300 VanDerWaalsContact OE1-CE1 3.24Å; K296-H300 PolarHBondContact O-ND1 2.85Å; E297-H300 PolarHBondContact O-N 3.12Å; H300-G302 PolarHBondContact O-N 3.24Å; H300-S303 PolarHBondContact O-N 3.23Å; H300-A304 PolarHBondContact O-N 3.5Å; H300-A304 VanDerWaalsContact O-N 3.16Å |
| 301 | P | 88 | Confident | 94.5 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 66% | 0.662 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 132 | 172.7 | -24.6 | 33.3 | 0 | 0 | 0 | 111.7 | S303 | P301-S303 VanDerWaalsContact C-N 3.28Å; P301-S303 PolarHBondContact O-N 2.92Å |
| 302 | G | 89.1 | Confident | 94.3 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 66% | 0.66 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -12.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H300 | H300-G302 PolarHBondContact O-N 3.24Š|
| 303 | S | 93.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -31.6 | 172.1 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | H300 P301 N305 | H300-S303 PolarHBondContact O-N 3.23Å; P301-S303 VanDerWaalsContact C-N 3.28Å; P301-S303 PolarHBondContact O-N 2.92Å; S303-N305 PolarHBondContact O-N 2.95Å |
| 304 | A | 95.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | trans | -58.1 | 125.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E297 H300 F306 C316 | E297-A304 VanDerWaalsContact O-CA 3.22Å; E297-A304 WeakPolarHBondContact O-CA 3.33Å; E297-A304 VanDerWaalsContact O-CB 3.22Å; E297-A304 WeakPolarHBondContact O-CB 3.38Å; E297-A304 PolarHBondContact O-N 2.97Å; H300-A304 PolarHBondContact O-N 3.5Å; H300-A304 VanDerWaalsContact O-N 3.16Å; A304-F306 HydrophobicContact CB-CD2 3.88Å; A304-F306 HydrophobicContact CB-CE2 3.69Å; A304-C316 HydrophobicContact CB-CB 3.81Å | ||
| 305 | N | 95.5 | Very high | 93 | Very high | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -110.3 | 99 | 171.8 | -175.4 | -8.8 | 0 | 0 | 0 | 111.4 | S47 E48 M49 T51 S303 T307 | S47-N305 WeakPolarHBondContact CA-O 3.38Å; E48-N305 WeakPolarHBondContact CB-ND2 3.49Å; E48-N305 PolarHBondContact N-O 2.83Å; M49-N305 WeakPolarHBondContact CE-ND2 3.17Å; M49-N305 WeakPolarHBondContact CG-ND2 3.29Å; T51-N305 PolarHBondContact OG1-N 3.5Å; S303-N305 PolarHBondContact O-N 2.95Å; N305-T307 WeakPolarHBondContact OD1-CB 3.36Å; N305-T307 VanDerWaalsContact OD1-CG2 3.25Å; N305-T307 WeakPolarHBondContact OD1-CG2 3.21Å; N305-T307 PolarHBondContact OD1-N 2.97Å; N305-T307 VanDerWaalsContact OD1-N 3.14Å; N305-T307 PolarHBondContact OD1-OG1 3.17Å | ||
| 306 | F | 96.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -115.4 | 36.3 | 175.8 | -65.1 | -59.3 | 0 | 0 | 0 | 112.6 | I43 G46 T51 A298 A304 N308 M309 S310 F315 I317 | I43-F306 HydrophobicContact CG2-CE1 3.66Å; I43-F306 HydrophobicContact CG2-CZ 4.1Å; G46-F306 CarbonylContact O-C 3.56Å; G46-F306 VanDerWaalsContact O-CA 3.22Å; G46-F306 WeakPolarHBondContact O-CA 3.47Å; T51-F306 HydrophobicContact CG2-CE1 4Å; T51-F306 HydrophobicContact CG2-CZ 4.07Å; A298-F306 HydrophobicContact CB-CZ 3.81Å; A298-F306 WeakPolarHBondContact O-CE2 3.31Å; A304-F306 HydrophobicContact CB-CD2 3.88Å; A304-F306 HydrophobicContact CB-CE2 3.69Å; F306-N308 PolarHBondContact O-N 2.96Å; F306-N308 VanDerWaalsContact O-N 3.15Å; F306-M309 HydrophobicContact CB-CB 3.98Å; F306-M309 HydrophobicContact CB-SD 4.37Å; F306-M309 HydrophobicContact CD1-CE 4.12Å; F306-M309 HydrophobicContact CG-CE 4.4Å; F306-M309 WeakPolarHBondContact O-CB 3.29Å; F306-M309 PolarHBondContact O-N 3.26Å; F306-S310 PolarHBondContact O-N 2.94Å; F306-F315 HydrophobicContact CB-CE1 4.42Å; F306-F315 HydrophobicContact CB-CE2 3.67Å; F306-F315 HydrophobicContact CB-CZ 3.45Å; F306-F315 VanDerWaalsContact CB-CZ 3.45Å; F306-F315 HydrophobicContact CD2-CD2 4.32Å; F306-F315 AromaticContact CD2-CE2 3.8Å; F306-F315 HydrophobicContact CD2-CE2 3.8Å; F306-F315 HydrophobicContact CD2-CZ 4.41Å; F306-F315 HydrophobicContact CG-CE2 4.05Å; F306-F315 HydrophobicContact CG-CZ 4.33Å; F306-I317 HydrophobicContact CE1-CD1 4.13Å; F306-I317 HydrophobicContact CE2-CD1 4.17Å; F306-I317 HydrophobicContact CE2-CG1 3.84Å; F306-I317 HydrophobicContact CZ-CD1 3.56Å; F306-I317 HydrophobicContact CZ-CG1 3.77Å | ||
| 307 | T | 95.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.1 | -178.8 | 48 | 0 | 0 | 0 | 0 | 113.9 | K105 N305 | K105-T307 WeakPolarHBondContact CE-O 3.29Å; K105-T307 PolarHBondContact NZ-O 2.93Å; N305-T307 WeakPolarHBondContact OD1-CB 3.36Å; N305-T307 VanDerWaalsContact OD1-CG2 3.25Å; N305-T307 WeakPolarHBondContact OD1-CG2 3.21Å; N305-T307 PolarHBondContact OD1-N 2.97Å; N305-T307 VanDerWaalsContact OD1-N 3.14Å; N305-T307 PolarHBondContact OD1-OG1 3.17Å |
| 308 | N | 95 | Very high | 92.7 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -18.5 | 171.3 | -71.4 | -19.8 | 0 | 0 | 0 | 113.1 | G46 E48 F306 | G46-N308 PolarHBondContact O-N 2.88Å; E48-N308 WeakPolarHBondContact CG-ND2 3.5Å; E48-N308 PolarHBondContact OE1-ND2 2.9Å; F306-N308 PolarHBondContact O-N 2.96Å; F306-N308 VanDerWaalsContact O-N 3.15Å |
| 309 | M | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -43.9 | 177.6 | 178.7 | -176.5 | -69.3 | 0 | 0 | 112.4 | G46 L96 V104 K105 Y108 F306 F315 | G46-M309 PolarHBondContact O-N 2.86Å; L96-M309 HydrophobicContact CD1-CE 4.23Å; V104-M309 CarbonylContact C-O 3.58Å; V104-M309 WeakPolarHBondContact CA-O 3.32Å; V104-M309 WeakPolarHBondContact CG1-O 3.41Å; K105-M309 PolarHBondContact N-O 3.45Å; Y108-M309 HydrophobicContact CD1-CB 4.22Å; Y108-M309 HydrophobicContact CD1-CG 3.76Å; Y108-M309 HydrophobicContact CD2-CB 4.49Å; Y108-M309 HydrophobicContact CE1-CB 4.17Å; Y108-M309 HydrophobicContact CE1-CE 4.04Å; Y108-M309 HydrophobicContact CE1-CG 3.53Å; Y108-M309 HydrophobicContact CE1-SD 4.41Å; Y108-M309 HydrophobicContact CE2-CB 4.47Å; Y108-M309 HydrophobicContact CG-CB 4.37Å; Y108-M309 HydrophobicContact CG-CG 4.4Å; Y108-M309 WeakPolarHBondContact OH-CE 3.32Å; F306-M309 HydrophobicContact CB-CB 3.98Å; F306-M309 HydrophobicContact CB-SD 4.37Å; F306-M309 HydrophobicContact CD1-CE 4.12Å; F306-M309 HydrophobicContact CG-CE 4.4Å; F306-M309 WeakPolarHBondContact O-CB 3.29Å; F306-M309 PolarHBondContact O-N 3.26Å; M309-F315 HydrophobicContact CB-CZ 4.46Å; M309-F315 HydrophobicContact CG-CZ 4.42Å; M309-F315 HydrophobicContact SD-CE2 3.64Å; M309-F315 HydrophobicContact SD-CZ 4Å |
| 310 | S | 94.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -144.6 | 153.2 | -168.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | N103 F306 S312 | N103-S310 VanDerWaalsContact C-OG 3.3Å; N103-S310 PolarHBondContact N-OG 3.16Å; N103-S310 VanDerWaalsContact O-CA 3.28Å; N103-S310 WeakPolarHBondContact O-CA 3.47Å; N103-S310 WeakPolarHBondContact O-CB 3.26Å; N103-S310 PolarHBondContact O-OG 3.37Å; F306-S310 PolarHBondContact O-N 2.94Å; S310-S312 WeakPolarHBondContact OG-CB 3.45Å; S310-S312 PolarHBondContact OG-N 3.26Å |
| 311 | E | 91 | Very high | 92.6 | Very high | 159 Ų | 159 | 48 Ų | 48 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -80.7 | -22.7 | 169.3 | -63.1 | -174.4 | 168.6 | 0 | 0 | 112.2 | N103 K105 | N103-E311 PolarHBondContact O-N 3.35Å; N103-E311 VanDerWaalsContact O-N 3.11Å; K105-E311 HydrophobicContact CG-CG 4Å |
| 312 | S | 90.8 | Very high | 92.8 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | -66.5 | 147.1 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | D101 N103 S310 F315 | D101-S312 PolarHBondContact O-OG 2.87Å; N103-S312 PolarHBondContact N-OG 2.91Å; N103-S312 PolarHBondContact ND2-OG 3.3Å; S310-S312 WeakPolarHBondContact OG-CB 3.45Å; S310-S312 PolarHBondContact OG-N 3.26Å; S312-F315 WeakPolarHBondContact O-CE1 3.46Å | ||
| 313 | S | 82 | Confident | 92.9 | Very high | 98 Ų | 98 | 41 Ų | 41 | 69% | 0.685 | 23% | 0.225 | S | C | * | . | trans | -105.2 | 168.1 | 173.6 | 59.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 314 | N | 84.1 | Confident | 92.6 | Very high | 141 Ų | 141 | 38.2 Ų | 38.2 | 75% | 0.754 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 63.2 | 40.5 | 172.3 | -57.3 | -29.5 | 0 | 0 | 0 | 116.1 | ||
| 315 | F | 91 | Very high | 92.1 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | trans | -120.7 | 157.4 | 165.8 | 71.1 | -86.4 | 0 | 0 | 0 | 110.8 | V102 V163 F306 M309 S312 | V102-F315 HydrophobicContact CG1-CD1 4.36Å; V102-F315 HydrophobicContact CG1-CE1 4.31Å; V102-F315 HydrophobicContact CG1-CE2 4.44Å; V102-F315 HydrophobicContact CG1-CG 4.46Å; V102-F315 HydrophobicContact CG1-CZ 4.34Å; V102-F315 HydrophobicContact CG2-CB 4.38Å; V102-F315 HydrophobicContact CG2-CG 4.38Å; V163-F315 HydrophobicContact CG2-CD2 3.61Å; V163-F315 HydrophobicContact CG2-CE2 3.99Å; F306-F315 HydrophobicContact CB-CE1 4.42Å; F306-F315 HydrophobicContact CB-CE2 3.67Å; F306-F315 HydrophobicContact CB-CZ 3.45Å; F306-F315 VanDerWaalsContact CB-CZ 3.45Å; F306-F315 HydrophobicContact CD2-CD2 4.32Å; F306-F315 AromaticContact CD2-CE2 3.8Å; F306-F315 HydrophobicContact CD2-CE2 3.8Å; F306-F315 HydrophobicContact CD2-CZ 4.41Å; F306-F315 HydrophobicContact CG-CE2 4.05Å; F306-F315 HydrophobicContact CG-CZ 4.33Å; M309-F315 HydrophobicContact CB-CZ 4.46Å; M309-F315 HydrophobicContact CG-CZ 4.42Å; M309-F315 HydrophobicContact SD-CE2 3.64Å; M309-F315 HydrophobicContact SD-CZ 4Å; S312-F315 WeakPolarHBondContact O-CE1 3.46Å | ||
| 316 | C | 93.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.081 | 20% | 0.198 | C | C | . | . | trans | -130.1 | 174.6 | 170 | 63.2 | 0 | 0 | 0 | 0 | 110 | S162 A298 F299 A304 | S162-C316 PolarHBondContact OG-O 2.93Å; A298-C316 WeakPolarHBondContact O-CB 3.34Å; F299-C316 PolarHBondContact O-SG 2.95Å; F299-C316 VanDerWaalsContact O-SG 3.42Å; A304-C316 HydrophobicContact CB-CB 3.81Å | ||
| 317 | I | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -77.2 | 121.5 | 167 | -66.5 | 174.6 | 0 | 0 | 0 | 107.3 | I43 V163 V165 A298 F299 F306 D319 I320 | I43-I317 HydrophobicContact CB-CD1 4.2Å; I43-I317 HydrophobicContact CD1-CD1 3.68Å; I43-I317 HydrophobicContact CG1-CD1 3.64Å; I43-I317 HydrophobicContact CG2-CD1 3.46Å; I43-I317 VanDerWaalsContact CG2-CD1 3.46Å; V163-I317 HydrophobicContact CG1-CG1 4.2Å; V165-I317 HydrophobicContact CG2-CD1 4.26Å; V165-I317 HydrophobicContact CG2-CG2 4.48Å; A298-I317 PolarHBondContact O-N 3.38Å; F299-I317 WeakPolarHBondContact CA-O 3.41Å; F299-I317 HydrophobicContact CD1-CB 4.14Å; F299-I317 HydrophobicContact CD1-CG2 4.11Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.29Å; F299-I317 HydrophobicContact CE1-CG2 3.94Å; F306-I317 HydrophobicContact CE1-CD1 4.13Å; F306-I317 HydrophobicContact CE2-CD1 4.17Å; F306-I317 HydrophobicContact CE2-CG1 3.84Å; F306-I317 HydrophobicContact CZ-CD1 3.56Å; F306-I317 HydrophobicContact CZ-CG1 3.77Å; I317-D319 WeakPolarHBondContact CG2-O 3.46Å; I317-I320 HydrophobicContact CG2-CG1 3.86Å | ||
| 318 | R | 94.2 | Very high | 91.2 | Very high | 105 Ų | 105 | 35.8 Ų | 35.8 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | trans | -78.1 | -39.6 | 178.5 | 175.3 | 58.4 | -178.4 | 76.2 | 5 | 111.5 | T161 V163 L164 | T161-R318 HydrophobicContact CG2-CB 4.17Å; T161-R318 HydrophobicContact CG2-CG 4.11Å; V163-R318 WeakPolarHBondContact O-CB 3.02Å; V163-R318 PolarHBondContact O-N 2.62Å; L164-R318 HydrophobicContact CD2-CB 4.23Å; L164-R318 HydrophobicContact CD2-CG 4.36Å | ||
| 319 | D | 93.8 | Very high | 91 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 157.5 | 178.1 | -141.7 | -36.8 | 0 | 0 | 0 | 112.5 | L164 V165 S285 V287 I317 L321 | L164-D319 HydrophobicContact CD2-CB 3.63Å; V165-D319 PolarHBondContact N-O 3.1Å; S285-D319 WeakPolarHBondContact CB-OD1 3.35Å; S285-D319 VanDerWaalsContact OG-CG 3.26Å; S285-D319 PolarHBondContact OG-OD1 3.21Å; S285-D319 PolarHBondContact OG-OD2 3.3Å; V287-D319 HydrophobicContact CG2-CB 4.39Å; V287-D319 WeakPolarHBondContact CG2-OD1 3.42Å; I317-D319 WeakPolarHBondContact CG2-O 3.46Å; D319-L321 HydrophobicContact CB-CD2 4.22Å; D319-L321 HydrophobicContact CB-CG 4.27Å |
| 320 | I | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 109 | 166.6 | -54.3 | 170.9 | 0 | 0 | 0 | 106.3 | I43 V165 L286 L290 M295 F299 I317 | I43-I320 HydrophobicContact CD1-CD1 3.37Å; I43-I320 HydrophobicContact CD1-CG1 4.04Å; V165-I320 HydrophobicContact CB-CG1 4.16Å; V165-I320 HydrophobicContact CB-CG2 4.22Å; V165-I320 HydrophobicContact CG1-CG2 4.33Å; V165-I320 CarbonylContact O-C 3.34Å; V165-I320 VanDerWaalsContact O-CA 3.27Å; V165-I320 WeakPolarHBondContact O-CA 3.42Å; L286-I320 HydrophobicContact CB-CB 4.23Å; L286-I320 HydrophobicContact CB-CG2 4.48Å; L286-I320 HydrophobicContact CD1-CG2 3.89Å; L286-I320 HydrophobicContact CG-CG2 4.41Å; L286-I320 WeakPolarHBondContact CG-O 3.25Å; L286-I320 PolarHBondContact N-O 3.16Å; L290-I320 HydrophobicContact CD1-CD1 3.58Å; M295-I320 HydrophobicContact CE-CD1 4.38Å; F299-I320 HydrophobicContact CE1-CD1 3.78Å; F299-I320 HydrophobicContact CE1-CG1 4.07Å; F299-I320 HydrophobicContact CZ-CD1 3.8Å; I317-I320 HydrophobicContact CG2-CG1 3.86Å |
| 321 | L | 94.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.7 | -174.5 | -60.9 | 177.6 | 0 | 0 | 0 | 110 | F152 V165 I166 T167 A283 D319 | F152-L321 HydrophobicContact CD1-CD1 3.4Å; F152-L321 HydrophobicContact CE1-CD1 3.52Å; F152-L321 HydrophobicContact CG-CD1 4.27Å; F152-L321 HydrophobicContact CZ-CD1 4.48Å; V165-L321 PolarHBondContact O-N 3.29Å; I166-L321 WeakPolarHBondContact CA-O 3.46Å; I166-L321 HydrophobicContact CG1-CB 4.49Å; T167-L321 PolarHBondContact N-O 2.7Å; T167-L321 PolarHBondContact OG1-O 3.28Å; A283-L321 HydrophobicContact CB-CB 4.03Å; D319-L321 HydrophobicContact CB-CD2 4.22Å; D319-L321 HydrophobicContact CB-CG 4.27Å |
| 322 | H | 92.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.3 | 177.2 | -178.6 | 66 | 0 | 0 | 0 | 111.9 | L31 S32 V36 T167 A283 I284 L286 | L31-H322 WeakPolarHBondContact CA-NE2 3.49Å; S32-H322 PolarHBondContact N-NE2 3.4Å; V36-H322 HydrophobicContact CG2-CB 4.26Å; T167-H322 WeakPolarHBondContact O-CA 3.23Å; T167-H322 PolarHBondContact OG1-ND1 3.2Å; A283-H322 CarbonylContact C-O 3.56Å; A283-H322 WeakPolarHBondContact CA-O 3.12Å; A283-H322 WeakPolarHBondContact CB-O 3.1Å; I284-H322 PolarHBondContact N-O 2.84Å; I284-H322 PolarHBondContact O-N 2.85Å; L286-H322 HydrophobicContact CD1-CB 4.05Å; L286-H322 HydrophobicContact CD2-CB 4.16Å; L286-H322 HydrophobicContact CG-CB 4.22Å |
| 323 | K | 89.7 | Confident | 90.1 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.078 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 132.4 | 169.7 | -165 | 161.2 | 179.4 | 169.8 | 0 | 112.3 | I148 E150 L151 T167 T168 T169 E280 G281 A283 | I148-K323 HydrophobicContact CD1-CB 4.23Å; I148-K323 HydrophobicContact CD1-CG 4.1Å; I148-K323 HydrophobicContact CG2-CD 3.79Å; I148-K323 HydrophobicContact CG2-CG 4.35Å; E150-K323 PolarHBondContact O-NZ 3.48Å; L151-K323 HydrophobicContact CD2-CB 3.62Å; L151-K323 HydrophobicContact CD2-CD 4.02Å; L151-K323 HydrophobicContact CD2-CG 4.39Å; T167-K323 PolarHBondContact O-N 2.97Å; T168-K323 WeakPolarHBondContact CA-O 3.48Å; T169-K323 PolarHBondContact N-O 3.2Å; E280-K323 WeakPolarHBondContact O-CE 3.28Å; G281-K323 WeakPolarHBondContact O-CE 3.28Å; G281-K323 PolarHBondContact O-NZ 3.46Å; A283-K323 HydrophobicContact CB-CB 4.13Å |
| 324 | A | 88.1 | Confident | 89.4 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F30 F377 | F30-A324 HydrophobicContact CD1-CB 3.73Å; F30-A324 HydrophobicContact CE1-CB 3.99Å; A324-F377 HydrophobicContact CB-CD1 3.99Å; A324-F377 HydrophobicContact CB-CE1 3.75Å |
| 325 | I | 84.7 | Confident | 87.1 | Confident | 13 Ų | 13 | 18.7 Ų | 18.7 | 7% | 0.067 | 9% | 0.09 | C | C | . | . | trans | -128.1 | 139.2 | 172.6 | -63.8 | 177.5 | 0 | 0 | 0 | 108.5 | K147 I148 L278 K279 | K147-I325 WeakPolarHBondContact O-CD1 3.44Å; I148-I325 HydrophobicContact CB-CD1 4.42Å; I148-I325 HydrophobicContact CD1-CD1 4.43Å; I148-I325 HydrophobicContact CD1-CG1 4.42Å; I148-I325 HydrophobicContact CG1-CD1 3.45Å; I148-I325 VanDerWaalsContact CG1-CD1 3.45Å; I148-I325 HydrophobicContact CG1-CG1 3.94Å; L278-I325 WeakPolarHBondContact O-CA 3.4Å; K279-I325 HydrophobicContact CB-CG2 4.33Å; K279-I325 HydrophobicContact CD-CD1 4.38Å; K279-I325 HydrophobicContact CG-CD1 3.87Å; K279-I325 HydrophobicContact CG-CG1 4.15Å | ||
| 326 | L | 86.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.3 | 169.2 | -168.4 | 69.8 | 0 | 0 | 0 | 109.2 | F30 F276 K277 L278 V328 V333 V366 I368 | F30-L326 HydrophobicContact CD1-CB 3.94Å; F30-L326 HydrophobicContact CD2-CD2 4.31Å; F30-L326 HydrophobicContact CE1-CB 3.57Å; F30-L326 HydrophobicContact CE1-CD1 4.34Å; F30-L326 HydrophobicContact CE1-CD2 4.5Å; F30-L326 HydrophobicContact CE1-CG 4.36Å; F30-L326 HydrophobicContact CE2-CB 4.19Å; F30-L326 HydrophobicContact CE2-CD2 3.67Å; F30-L326 HydrophobicContact CE2-CG 4.38Å; F30-L326 HydrophobicContact CG-CB 4.4Å; F30-L326 HydrophobicContact CZ-CB 3.69Å; F30-L326 HydrophobicContact CZ-CD1 3.86Å; F30-L326 HydrophobicContact CZ-CD2 3.77Å; F30-L326 HydrophobicContact CZ-CG 3.99Å; F276-L326 HydrophobicContact CE2-CD2 3.65Å; F276-L326 HydrophobicContact CE2-CG 4.45Å; F276-L326 HydrophobicContact CZ-CD2 4.18Å; K277-L326 CarbonylContact C-O 3.6Å; K277-L326 VanDerWaalsContact CA-O 3.28Å; K277-L326 WeakPolarHBondContact CA-O 3.27Å; L278-L326 HydrophobicContact CB-CB 4.11Å; L278-L326 HydrophobicContact CD1-CB 4.46Å; L278-L326 HydrophobicContact CD1-CD2 4.18Å; L278-L326 PolarHBondContact N-O 2.92Å; L278-L326 PolarHBondContact O-N 3.49Å; L326-V328 HydrophobicContact CD2-CG2 4.02Å; L326-V328 HydrophobicContact CG-CG2 3.9Å; L326-V333 HydrophobicContact CD1-CB 4.34Å; L326-V333 HydrophobicContact CD1-CG1 3.26Å; L326-V333 HydrophobicContact CD1-CG2 4.1Å; L326-V333 HydrophobicContact CG-CG1 4.27Å; L326-V366 HydrophobicContact CD2-CG2 4.15Å; L326-I368 HydrophobicContact CD1-CD1 3.73Å; L326-I368 HydrophobicContact CD1-CG1 4.44Å |
| 327 | E | 89.3 | Confident | 80.7 | Confident | 53 Ų | 53 | 25.4 Ų | 25.4 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.5 | 170.5 | -173.5 | -179.1 | 141.8 | 0 | 0 | 107.9 | K277 V333 V334 | K277-E327 HydrophobicContact CB-CG 4.39Å; K277-E327 HydrophobicContact CD-CB 4.27Å; K277-E327 HydrophobicContact CD-CG 3.98Å; K277-E327 HydrophobicContact CG-CB 4.24Å; K277-E327 HydrophobicContact CG-CG 4.29Å; E327-V333 CarbonylContact O-C 3.58Å; E327-V333 WeakPolarHBondContact O-CA 3.45Å; E327-V334 HydrophobicContact CB-CG2 3.79Å; E327-V334 PolarHBondContact O-N 2.91Å |
| 328 | V | 92.6 | Very high | 77.3 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.1 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | W175 M202 L273 K275 F276 L326 V333 | W175-V328 HydrophobicContact CH2-CG1 4.3Å; W175-V328 HydrophobicContact CZ2-CG1 3.72Å; M202-V328 HydrophobicContact CE-CG1 4.24Å; L273-V328 HydrophobicContact CD2-CG1 3.97Å; K275-V328 WeakPolarHBondContact CA-O 3.34Å; F276-V328 HydrophobicContact CD1-CB 3.78Å; F276-V328 HydrophobicContact CD1-CG1 4.18Å; F276-V328 HydrophobicContact CD1-CG2 4.02Å; F276-V328 HydrophobicContact CD2-CB 4.45Å; F276-V328 HydrophobicContact CD2-CG2 4Å; F276-V328 HydrophobicContact CE1-CB 3.57Å; F276-V328 HydrophobicContact CE1-CG1 3.7Å; F276-V328 HydrophobicContact CE1-CG2 3.49Å; F276-V328 VanDerWaalsContact CE1-CG2 3.49Å; F276-V328 HydrophobicContact CE2-CB 4.31Å; F276-V328 HydrophobicContact CE2-CG2 3.49Å; F276-V328 VanDerWaalsContact CE2-CG2 3.49Å; F276-V328 HydrophobicContact CG-CB 4.22Å; F276-V328 HydrophobicContact CG-CG2 4.26Å; F276-V328 HydrophobicContact CZ-CB 3.87Å; F276-V328 HydrophobicContact CZ-CG1 4.23Å; F276-V328 HydrophobicContact CZ-CG2 3.2Å; F276-V328 PolarHBondContact N-O 3.48Å; F276-V328 PolarHBondContact O-N 3.01Å; L326-V328 HydrophobicContact CD2-CG2 4.02Å; L326-V328 HydrophobicContact CG-CG2 3.9Å; V328-V333 HydrophobicContact CG2-CG2 4.11Å |
| 329 | N | 91.1 | Very high | 74 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | trans | -141.3 | -173.8 | 179.8 | 70.7 | 35.2 | 0 | 0 | 0 | 111.9 | W175 Q331 G332 A335 | W175-N329 PolarHBondContact NE1-O 3.41Å; N329-Q331 PolarHBondContact O-N 3.02Å; N329-Q331 PolarHBondContact OD1-N 3.04Å; N329-G332 PolarHBondContact N-O 2.9Å; N329-G332 PolarHBondContact O-N 2.8Å; N329-G332 PolarHBondContact OD1-N 3.14Å; N329-G332 VanDerWaalsContact OD1-N 3.12Å; N329-G332 PolarHBondContact OD1-O 3.39Å; N329-A335 PolarHBondContact ND2-O 2.88Å; N329-A335 VanDerWaalsContact ND2-O 3.12Å | ||
| 330 | E | 91.2 | Very high | 70.7 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -65.3 | -23.6 | -174.1 | -69.8 | 93 | 159.1 | 0 | 0 | 114.1 | W175 P178 F179 Q181 S184 M202 K275 | W175-E330 VanDerWaalsContact CD1-O 3.29Å; P178-E330 CarbonylContact C-O 3.48Å; P178-E330 WeakPolarHBondContact CA-O 3.29Å; P178-E330 WeakPolarHBondContact CB-O 3.3Å; F179-E330 HydrophobicContact CB-CB 3.87Å; F179-E330 HydrophobicContact CB-CG 3.88Å; F179-E330 PolarHBondContact N-O 3.42Å; F179-E330 WeakPolarHBondContact O-CB 3.42Å; Q181-E330 HydrophobicContact CG-CB 4.25Å; Q181-E330 HydrophobicContact CG-CG 4.2Å; S184-E330 PolarHBondContact OG-OE1 3.07Å; M202-E330 HydrophobicContact CG-CG 4.05Å; M202-E330 VanDerWaalsContact SD-CA 3.53Å; M202-E330 HydrophobicContact SD-CB 4.21Å; M202-E330 HydrophobicContact SD-CG 3.74Å; M202-E330 PolarHBondContact SD-N 3.2Å; K275-E330 WeakPolarHBondContact CE-OE1 3.49Å; K275-E330 WeakPolarHBondContact CE-OE2 3.37Å; K275-E330 IonicContact NZ-OE1 3.43Å; K275-E330 PolarHBondContact NZ-OE1 2.93Å; K275-E330 IonicContact NZ-OE2 2.76Å; K275-E330 PolarHBondContact NZ-OE2 3.47Å |
| 331 | Q | 90.7 | Very high | 67.5 | Low | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92.6 | -27.7 | -177.9 | -61.3 | -57.2 | -63.9 | 0 | 0 | 112.2 | M174 W175 N329 | M174-Q331 WeakPolarHBondContact CA-O 3.45Å; W175-Q331 PolarHBondContact N-O 3.28Å; N329-Q331 PolarHBondContact O-N 3.02Å; N329-Q331 PolarHBondContact OD1-N 3.04Å |
| 332 | G | 89.5 | Confident | 64.2 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -158.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G173 W175 N329 | G173-G332 CarbonylContact O-C 3.56Å; G173-G332 WeakPolarHBondContact O-CA 3.16Å; W175-G332 VanDerWaalsContact CD1-N 3.27Å; W175-G332 VanDerWaalsContact CE2-CA 3.45Å; W175-G332 VanDerWaalsContact NE1-CA 3.29Å; W175-G332 VanDerWaalsContact NE1-N 3.16Å; N329-G332 PolarHBondContact N-O 2.9Å; N329-G332 PolarHBondContact O-N 2.8Å; N329-G332 PolarHBondContact OD1-N 3.14Å; N329-G332 VanDerWaalsContact OD1-N 3.12Å; N329-G332 PolarHBondContact OD1-O 3.39Å |
| 333 | V | 82.6 | Confident | 61.2 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.5 | 164.4 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | F171 E172 G173 W175 F225 L326 E327 V328 A335 | F171-V333 HydrophobicContact CD1-CB 3.99Å; F171-V333 HydrophobicContact CD1-CG1 3.64Å; F171-V333 HydrophobicContact CE1-CB 3.99Å; F171-V333 HydrophobicContact CE1-CG1 4.15Å; E172-V333 CarbonylContact C-O 3.54Å; E172-V333 VanDerWaalsContact CA-O 3.27Å; E172-V333 WeakPolarHBondContact CA-O 3.42Å; G173-V333 PolarHBondContact N-O 3.46Å; G173-V333 PolarHBondContact O-N 2.95Å; W175-V333 HydrophobicContact CH2-CG2 3.7Å; W175-V333 HydrophobicContact CZ2-CG2 4.14Å; F225-V333 HydrophobicContact CE1-CB 3.92Å; F225-V333 HydrophobicContact CE1-CG2 3.63Å; F225-V333 HydrophobicContact CZ-CB 4.13Å; F225-V333 HydrophobicContact CZ-CG2 3.55Å; L326-V333 HydrophobicContact CD1-CB 4.34Å; L326-V333 HydrophobicContact CD1-CG1 3.26Å; L326-V333 HydrophobicContact CD1-CG2 4.1Å; L326-V333 HydrophobicContact CG-CG1 4.27Å; E327-V333 CarbonylContact O-C 3.58Å; E327-V333 WeakPolarHBondContact O-CA 3.45Å; V328-V333 HydrophobicContact CG2-CG2 4.11Å; V333-A335 PolarHBondContact O-N 3.02Å |
| 334 | V | 67.4 | Low | 58.2 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 35.1 | 62.7 | -176.1 | -156.9 | 0 | 0 | 0 | 0 | 115.9 | K147 Y170 E172 E327 | K147-V334 HydrophobicContact CD-CG1 4.16Å; Y170-V334 HydrophobicContact CE2-CB 4.37Å; Y170-V334 HydrophobicContact CE2-CG1 4.02Å; E172-V334 WeakPolarHBondContact CB-O 3.37Å; E172-V334 WeakPolarHBondContact CG-O 3.44Å; E172-V334 VanDerWaalsContact OE1-O 3.1Å; E327-V334 HydrophobicContact CB-CG2 3.79Å; E327-V334 PolarHBondContact O-N 2.91Å |
| 335 | A | 34.4 | Very low | 55.6 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 40% | 0.403 | C | S | . | . | trans | -108.6 | 117.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N329 V333 | N329-A335 PolarHBondContact ND2-O 2.88Å; N329-A335 VanDerWaalsContact ND2-O 3.12Å; V333-A335 PolarHBondContact O-N 3.02Å | ||
| 336 | A | 27.9 | Very low | 53.5 | Low | 68 Ų | 68 | 72.2 Ų | 72.2 | 56% | 0.562 | 44% | 0.438 | S | S | * | . | trans | -96.6 | 103.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 337 | A | 23.2 | Very low | 51 | Low | 104 Ų | 104 | 78 Ų | 78 | 86% | 0.86 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 34.1 | 96 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 338 | A | 24.2 | Very low | 48.9 | Very low | 94 Ų | 94 | 79.1 Ų | 79.1 | 78% | 0.777 | 50% | 0.496 | S | S | * | . | trans | -161.4 | 144.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 339 | S | 25.7 | Very low | 46.7 | Very low | 104 Ų | 104 | 84.8 Ų | 84.8 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | 73.6 | 103.8 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 118.4 | V341 | S339-V341 PolarHBondContact O-N 3.41Š| ||
| 340 | S | 23.8 | Very low | 44.6 | Very low | 122 Ų | 122 | 90.8 Ų | 90.8 | 85% | 0.853 | 57% | 0.565 | S | S | * | * | trans | -62.2 | 120.6 | 159.8 | 50.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | V | 27.1 | Very low | 42.7 | Very low | 115 Ų | 115 | 94 Ų | 94 | 70% | 0.697 | 59% | 0.586 | S | S | * | * | trans | -101 | 114.5 | 163.4 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | S339 V343 | S339-V341 PolarHBondContact O-N 3.41Å; V341-V343 PolarHBondContact O-N 3.45Å | ||
| 342 | E | 25.3 | Very low | 41 | Very low | 182 Ų | 182 | 100.3 Ų | 100.3 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | trans | -67.9 | 108.6 | 165.5 | -78.9 | -175.7 | 153.7 | 0 | 0 | 108.3 | V344 | E342-V344 PolarHBondContact O-N 3.04Š| ||
| 343 | V | 29.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 103.4 Ų | 103.4 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | trans | -83.3 | 110.5 | 166.1 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | V341 Q345 | V341-V343 PolarHBondContact O-N 3.45Å; V343-Q345 PolarHBondContact O-N 2.97Å | ||
| 344 | V | 28 | Very low | 38.7 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | trans | -76.1 | 114.5 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | E342 L346 | E342-V344 PolarHBondContact O-N 3.04Å; V344-L346 PolarHBondContact O-N 2.71Å | ||
| 345 | Q | 33.7 | Very low | 39.3 | Very low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 68% | 0.684 | S | S | * | * | trans | -68.7 | 99.9 | 172.2 | -167.2 | 171.9 | -1.3 | 0 | 0 | 108.8 | V343 S347 | V343-Q345 PolarHBondContact O-N 2.97Å; Q345-S347 PolarHBondContact O-N 3.45Å | ||
| 346 | L | 39.4 | Very low | 42.1 | Very low | 152 Ų | 152 | 115.6 Ų | 115.6 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -76.1 | 116.8 | 165.2 | -70.9 | 170 | 0 | 0 | 0 | 107.2 | V344 A348 | V344-L346 PolarHBondContact O-N 2.71Å; L346-A348 PolarHBondContact O-N 3.16Å | ||
| 347 | S | 35.6 | Very low | 45.3 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -62 | 93.2 | 176.2 | 44 | 0 | 0 | 0 | 0 | 110.5 | Q345 | Q345-S347 PolarHBondContact O-N 3.45Š| ||
| 348 | A | 44.8 | Very low | 48.8 | Very low | 77 Ų | 77 | 110.7 Ų | 110.7 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 152.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L346 L350 | L346-A348 PolarHBondContact O-N 3.16Å; A348-L350 PolarHBondContact O-N 3.44Å |
| 349 | P | 45.8 | Very low | 52.3 | Low | 121 Ų | 121 | 109.3 Ų | 109.3 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 126.5 | 170.3 | -14.2 | 27.3 | 0 | 0 | 0 | 108.5 | P351 | P349-P351 WeakPolarHBondContact O-CD 3.49Š|
| 350 | L | 48.2 | Very low | 55.8 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 78% | 0.78 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.1 | 177 | -72.5 | 162.1 | 0 | 0 | 0 | 108.7 | A348 F353 | A348-L350 PolarHBondContact O-N 3.44Å; L350-F353 HydrophobicContact CD2-CD2 4.44Å; L350-F353 HydrophobicContact CD2-CE2 3.95Å |
| 351 | P | 50.3 | Low | 59.3 | Low | 77 Ų | 77 | 99.9 Ų | 99.9 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 144.2 | 157 | -21 | 30.7 | 0 | 0 | 0 | 108.9 | P349 F353 | P349-P351 WeakPolarHBondContact O-CD 3.49Å; P351-F353 HydrophobicContact CB-CD2 4.48Å; P351-F353 HydrophobicContact CB-CE1 4.22Å; P351-F353 HydrophobicContact CB-CE2 4.19Å; P351-F353 HydrophobicContact CB-CZ 4.04Å; P351-F353 HydrophobicContact CG-CE1 4.16Å; P351-F353 HydrophobicContact CG-CE2 4.07Å; P351-F353 HydrophobicContact CG-CZ 3.68Å; P351-F353 WeakPolarHBondContact O-CD2 3.03Å; P351-F353 WeakPolarHBondContact O-CE2 3.5Å; P351-F353 PolarHBondContact O-N 2.89Å |
| 352 | E | 54.9 | Low | 62.6 | Low | 207 Ų | 207 | 94.9 Ų | 94.9 | 97% | 0.967 | 52% | 0.517 | S | S | * | . | trans | -63.1 | 90.2 | 165 | -70.7 | -177.5 | 170.4 | 0 | 0 | 107.3 | ||||
| 353 | F | 57 | Low | 66 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | trans | -69.6 | 137.7 | 177.9 | -68.3 | -77.5 | 0 | 0 | 0 | 108.8 | N205 L350 P351 | N205-F353 WeakPolarHBondContact OD1-CD1 3.46Å; L350-F353 HydrophobicContact CD2-CD2 4.44Å; L350-F353 HydrophobicContact CD2-CE2 3.95Å; P351-F353 HydrophobicContact CB-CD2 4.48Å; P351-F353 HydrophobicContact CB-CE1 4.22Å; P351-F353 HydrophobicContact CB-CE2 4.19Å; P351-F353 HydrophobicContact CB-CZ 4.04Å; P351-F353 HydrophobicContact CG-CE1 4.16Å; P351-F353 HydrophobicContact CG-CE2 4.07Å; P351-F353 HydrophobicContact CG-CZ 3.68Å; P351-F353 WeakPolarHBondContact O-CD2 3.03Å; P351-F353 WeakPolarHBondContact O-CE2 3.5Å; P351-F353 PolarHBondContact O-N 2.89Å | ||
| 354 | S | 66.3 | Low | 69.2 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | trans | -71.8 | 152.9 | 177.1 | 84.2 | 0 | 0 | 0 | 0 | 110.6 | S268 E356 | S268-S354 PolarHBondContact O-OG 2.92Å; S354-E356 PolarHBondContact O-N 3.18Å; S354-E356 WeakPolarHBondContact OG-CB 3.26Å; S354-E356 PolarHBondContact OG-N 2.77Å | ||
| 355 | D | 81.1 | Confident | 72.4 | Confident | 159 Ų | 159 | 76.1 Ų | 76.1 | 85% | 0.85 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -71 | 13.3 | 169.8 | -66 | -37.9 | 0 | 0 | 0 | 112.4 | E357 | D355-E357 PolarHBondContact O-N 2.7Š|
| 356 | E | 92.7 | Very high | 75.4 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | trans | -71.3 | 127 | -178.7 | -168.7 | 156.5 | -166.3 | 0 | 0 | 110.8 | M210 T267 L269 H270 S354 | M210-E356 VanDerWaalsContact CE-OE1 3.22Å; M210-E356 WeakPolarHBondContact CE-OE1 3.29Å; T267-E356 WeakPolarHBondContact CG2-OE2 3.37Å; L269-E356 CarbonylContact C-O 3.46Å; L269-E356 VanDerWaalsContact CA-O 3.3Å; L269-E356 WeakPolarHBondContact CA-O 3.33Å; L269-E356 HydrophobicContact CB-CB 4.24Å; L269-E356 HydrophobicContact CB-CG 4.41Å; L269-E356 VanDerWaalsContact CB-O 3.29Å; L269-E356 WeakPolarHBondContact CB-O 3.49Å; H270-E356 PolarHBondContact N-O 3.32Å; S354-E356 PolarHBondContact O-N 3.18Å; S354-E356 WeakPolarHBondContact OG-CB 3.26Å; S354-E356 PolarHBondContact OG-N 2.77Å | ||
| 357 | E | 95.4 | Very high | 78.2 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.1 | 175.8 | -57.9 | -155.8 | 141.3 | 0 | 0 | 111.4 | R219 H270 Y272 D355 R359 | R219-E357 PolarHBondContact NH1-O 2.88Å; R219-E357 PolarHBondContact NH2-O 2.83Å; H270-E357 HydrophobicContact CB-CG 4.18Å; Y272-E357 HydrophobicContact CE2-CG 4.41Å; Y272-E357 WeakPolarHBondContact CE2-OE1 3.37Å; Y272-E357 PolarHBondContact OH-OE1 3.12Å; Y272-E357 VanDerWaalsContact OH-OE1 3.12Å; D355-E357 PolarHBondContact O-N 2.7Å; E357-R359 IonicContact OE1-NH2 2.73Å; E357-R359 PolarHBondContact OE1-NH2 3.06Å; E357-R359 IonicContact OE2-CZ 2.78Å; E357-R359 IonicContact OE2-NE 2.53Å; E357-R359 PolarHBondContact OE2-NE 3.23Å; E357-R359 IonicContact OE2-NH2 3.26Å; E357-R359 PolarHBondContact OE2-NH2 3.37Å |
| 358 | F | 97.6 | Very high | 81 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 95.3 | 163.2 | -160.8 | -78.3 | 0 | 0 | 0 | 108.6 | M210 R219 I221 I234 L236 L269 H270 L271 Y272 V360 | M210-F358 HydrophobicContact CE-CD2 4.06Å; M210-F358 HydrophobicContact SD-CD2 4.1Å; R219-F358 HydrophobicContact CB-CE2 3.92Å; I221-F358 HydrophobicContact CB-CD1 4.42Å; I221-F358 HydrophobicContact CB-CD2 4.08Å; I221-F358 HydrophobicContact CB-CE1 4.26Å; I221-F358 HydrophobicContact CB-CE2 3.91Å; I221-F358 HydrophobicContact CB-CG 4.34Å; I221-F358 HydrophobicContact CB-CZ 4.01Å; I221-F358 HydrophobicContact CD1-CB 4.33Å; I221-F358 HydrophobicContact CD1-CG 4.22Å; I221-F358 HydrophobicContact CG2-CD1 3.75Å; I221-F358 HydrophobicContact CG2-CD2 4.23Å; I221-F358 HydrophobicContact CG2-CE1 3.39Å; I221-F358 HydrophobicContact CG2-CE2 3.92Å; I221-F358 HydrophobicContact CG2-CG 4.15Å; I221-F358 HydrophobicContact CG2-CZ 3.49Å; I221-F358 VanDerWaalsContact CG2-CZ 3.49Å; I234-F358 HydrophobicContact CB-CE1 4.41Å; I234-F358 HydrophobicContact CG2-CE1 3.94Å; I234-F358 HydrophobicContact CG2-CZ 4.27Å; L236-F358 HydrophobicContact CB-CE1 4.02Å; L236-F358 HydrophobicContact CB-CE2 4.45Å; L236-F358 HydrophobicContact CB-CZ 3.63Å; L236-F358 HydrophobicContact CD2-CD1 4.49Å; L236-F358 HydrophobicContact CD2-CE1 4.08Å; L236-F358 HydrophobicContact CD2-CZ 4.27Å; L269-F358 HydrophobicContact CD1-CB 3.95Å; L269-F358 HydrophobicContact CD2-CB 4.28Å; H270-F358 PolarHBondContact O-N 2.7Å; L271-F358 HydrophobicContact CD1-CB 4.24Å; L271-F358 HydrophobicContact CD1-CD1 4.05Å; Y272-F358 PolarHBondContact N-O 2.87Å; F358-V360 HydrophobicContact CD1-CG2 3.77Å; F358-V360 HydrophobicContact CE1-CG2 3.53Å |
| 359 | R | 97.7 | Very high | 83.5 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 103.8 | -173.4 | -176.8 | -176.4 | -62.1 | -86.8 | -1.4 | 111.5 | L236 Y272 E357 N361 | L236-R359 VanDerWaalsContact CD2-O 3.26Å; L236-R359 WeakPolarHBondContact CD2-O 3.29Å; Y272-R359 HydrophobicContact CD2-CB 4.06Å; Y272-R359 HydrophobicContact CD2-CG 4.27Å; Y272-R359 HydrophobicContact CG-CB 4.48Å; Y272-R359 HydrophobicContact CG-CG 4.26Å; Y272-R359 PolarHBondContact OH-NH2 2.81Å; Y272-R359 VanDerWaalsContact OH-NH2 3.17Å; E357-R359 IonicContact OE1-NH2 2.73Å; E357-R359 PolarHBondContact OE1-NH2 3.06Å; E357-R359 IonicContact OE2-CZ 2.78Å; E357-R359 IonicContact OE2-NE 2.53Å; E357-R359 PolarHBondContact OE2-NE 3.23Å; E357-R359 IonicContact OE2-NH2 3.26Å; E357-R359 PolarHBondContact OE2-NH2 3.37Å; R359-N361 VanDerWaalsContact C-N 3.31Å; R359-N361 HydrophobicContact CG-CB 4.01Å; R359-N361 PolarHBondContact O-N 3.38Å; R359-N361 PolarHBondContact O-OD1 3.37Å |
| 360 | V | 98 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -83.3 | 75.9 | 179 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | I234 L236 Y272 L273 P274 F358 F364 | I234-V360 HydrophobicContact CG2-CG1 4.49Å; I234-V360 HydrophobicContact CG2-CG2 3.95Å; L236-V360 HydrophobicContact CD1-CG1 4.27Å; L236-V360 HydrophobicContact CD2-CG2 4.47Å; Y272-V360 WeakPolarHBondContact O-CB 3.3Å; Y272-V360 PolarHBondContact O-N 3.34Å; L273-V360 HydrophobicContact CD1-CB 4.2Å; L273-V360 HydrophobicContact CD1-CG1 4.35Å; L273-V360 HydrophobicContact CD1-CG2 3.96Å; P274-V360 VanDerWaalsContact CD-O 3.27Å; P274-V360 WeakPolarHBondContact CD-O 3.28Å; P274-V360 HydrophobicContact CG-CG1 4.22Å; F358-V360 HydrophobicContact CD1-CG2 3.77Å; F358-V360 HydrophobicContact CE1-CG2 3.53Å; V360-F364 HydrophobicContact CG1-CB 4.2Å; V360-F364 HydrophobicContact CG1-CD1 3.21Å; V360-F364 HydrophobicContact CG1-CD2 4.19Å; V360-F364 HydrophobicContact CG1-CE1 3.42Å; V360-F364 VanDerWaalsContact CG1-CE1 3.42Å; V360-F364 HydrophobicContact CG1-CE2 4.36Å; V360-F364 HydrophobicContact CG1-CG 3.62Å; V360-F364 HydrophobicContact CG1-CZ 4Å | ||
| 361 | N | 97 | Very high | 88.1 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | trans | -114.2 | 17.7 | -178.4 | 69.7 | -16.5 | 0 | 0 | 0 | 113.2 | F189 F190 R359 | F189-N361 CarbonylContact C-O 3.55Å; F189-N361 WeakPolarHBondContact CA-O 3.2Å; F190-N361 VanDerWaalsContact CD2-O 3.31Å; F190-N361 WeakPolarHBondContact CD2-O 3.08Å; F190-N361 PolarHBondContact N-O 2.84Å; R359-N361 VanDerWaalsContact C-N 3.31Å; R359-N361 HydrophobicContact CG-CB 4.01Å; R359-N361 PolarHBondContact O-N 3.38Å; R359-N361 PolarHBondContact O-OD1 3.37Å | ||
| 362 | H | 96.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -155.7 | 172.4 | 176.4 | 59.5 | -89.5 | 0 | 0 | 0 | 109.2 | F189 F190 L236 P237 N240 F364 | F189-H362 WeakPolarHBondContact CE2-O 3.3Å; F189-H362 WeakPolarHBondContact CZ-O 3.43Å; F190-H362 HydrophobicContact CB-CB 3.89Å; F190-H362 VanDerWaalsContact O-CA 3.28Å; F190-H362 WeakPolarHBondContact O-CA 3.4Å; F190-H362 WeakPolarHBondContact O-CB 3.48Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.36Å; L236-H362 VanDerWaalsContact CD1-NE2 3.33Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.28Å; P237-H362 PolarHBondContact O-CE1 3.09Å; P237-H362 PolarHBondContact O-NE2 3.33Å; N240-H362 HydrophobicContact CB-CB 4.09Å; N240-H362 PolarHBondContact OD1-ND1 3.06Å; H362-F364 WeakPolarHBondContact O-CD1 3.36Å; H362-F364 PolarHBondContact O-N 3.05Å |
| 363 | S | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -53.9 | 132.1 | -171.1 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | F190 L192 V381 | F190-S363 PolarHBondContact O-N 3.04Å; L192-S363 WeakPolarHBondContact CD2-OG 3.41Å; S363-V381 CarbonylContact C-O 3.35Å; S363-V381 WeakPolarHBondContact CA-O 3.31Å; S363-V381 WeakPolarHBondContact CB-O 3.46Å | ||
| 364 | F | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.6 | -168.9 | 62.9 | -88.7 | 0 | 0 | 0 | 112.6 | F189 I234 L236 P274 F276 V360 H362 V366 H380 V381 | F189-F364 HydrophobicContact CE2-CD1 4.21Å; F189-F364 HydrophobicContact CE2-CE1 4.06Å; F189-F364 HydrophobicContact CZ-CD1 4.26Å; F189-F364 HydrophobicContact CZ-CE1 4.29Å; I234-F364 HydrophobicContact CD1-CD2 3.74Å; I234-F364 HydrophobicContact CD1-CE2 3.56Å; I234-F364 HydrophobicContact CG2-CB 4.38Å; I234-F364 HydrophobicContact CG2-CD2 3.98Å; I234-F364 HydrophobicContact CG2-CG 4.39Å; L236-F364 HydrophobicContact CD1-CB 3.87Å; P274-F364 HydrophobicContact CG-CE1 4Å; P274-F364 HydrophobicContact CG-CZ 4.33Å; F276-F364 AromaticContact CD1-CZ 3.89Å; F276-F364 HydrophobicContact CD1-CZ 3.89Å; F276-F364 HydrophobicContact CE1-CE2 4.08Å; F276-F364 AromaticContact CE1-CZ 3.72Å; F276-F364 HydrophobicContact CE1-CZ 3.72Å; F276-F364 HydrophobicContact CE2-CE2 4.44Å; F276-F364 HydrophobicContact CE2-CZ 4.36Å; F276-F364 HydrophobicContact CG-CZ 4.3Å; F276-F364 AromaticContact CZ-CE2 3.94Å; F276-F364 HydrophobicContact CZ-CE2 3.94Å; F276-F364 AromaticContact CZ-CZ 3.96Å; F276-F364 HydrophobicContact CZ-CZ 3.96Å; V360-F364 HydrophobicContact CG1-CB 4.2Å; V360-F364 HydrophobicContact CG1-CD1 3.21Å; V360-F364 HydrophobicContact CG1-CD2 4.19Å; V360-F364 HydrophobicContact CG1-CE1 3.42Å; V360-F364 VanDerWaalsContact CG1-CE1 3.42Å; V360-F364 HydrophobicContact CG1-CE2 4.36Å; V360-F364 HydrophobicContact CG1-CG 3.62Å; V360-F364 HydrophobicContact CG1-CZ 4Å; H362-F364 WeakPolarHBondContact O-CD1 3.36Å; H362-F364 PolarHBondContact O-N 3.05Å; F364-V366 HydrophobicContact CD2-CB 4.31Å; F364-V366 HydrophobicContact CE2-CB 4.1Å; F364-H380 CarbonylContact O-C 3.44Å; F364-H380 VanDerWaalsContact O-CA 3.29Å; F364-H380 WeakPolarHBondContact O-CA 3.28Å; F364-V381 HydrophobicContact CD1-CB 4.03Å; F364-V381 HydrophobicContact CD2-CB 4.35Å; F364-V381 HydrophobicContact CD2-CG2 4.24Å; F364-V381 HydrophobicContact CE1-CB 3.59Å; F364-V381 HydrophobicContact CE1-CG1 3.82Å; F364-V381 HydrophobicContact CE1-CG2 4.02Å; F364-V381 HydrophobicContact CE2-CB 3.92Å; F364-V381 HydrophobicContact CE2-CG2 3.51Å; F364-V381 HydrophobicContact CG-CB 4.42Å; F364-V381 HydrophobicContact CZ-CB 3.54Å; F364-V381 HydrophobicContact CZ-CG1 3.95Å; F364-V381 HydrophobicContact CZ-CG2 3.4Å; F364-V381 VanDerWaalsContact CZ-CG2 3.4Å; F364-V381 PolarHBondContact N-O 3.04Å; F364-V381 PolarHBondContact O-N 3.12Å |
| 365 | F | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 144.1 | 171.9 | 173 | -83.4 | 0 | 0 | 0 | 110.5 | Y15 I234 V235 L243 L246 L247 L250 I256 L378 G379 | Y15-F365 HydrophobicContact CD1-CE2 4.18Å; Y15-F365 HydrophobicContact CE1-CD2 4.11Å; Y15-F365 AromaticContact CE1-CE2 3.58Å; Y15-F365 HydrophobicContact CE1-CE2 3.58Å; Y15-F365 AromaticContact CZ-CE2 3.97Å; I234-F365 WeakPolarHBondContact CA-O 3.21Å; V235-F365 HydrophobicContact CB-CB 4.17Å; V235-F365 HydrophobicContact CB-CD1 4.08Å; V235-F365 HydrophobicContact CG2-CD1 3.79Å; V235-F365 HydrophobicContact CG2-CE1 4.45Å; V235-F365 PolarHBondContact N-O 3.34Å; V235-F365 PolarHBondContact O-N 3.05Å; L243-F365 HydrophobicContact CD1-CB 4.33Å; L246-F365 HydrophobicContact CD2-CB 3.96Å; L247-F365 HydrophobicContact CD2-CD2 3.97Å; L250-F365 HydrophobicContact CD1-CD2 4.1Å; L250-F365 HydrophobicContact CD1-CE2 4.19Å; L250-F365 HydrophobicContact CD1-CG 4.34Å; I256-F365 HydrophobicContact CD1-CE1 3.78Å; I256-F365 HydrophobicContact CD1-CZ 3.95Å; I256-F365 HydrophobicContact CG1-CE1 4.37Å; F365-L378 HydrophobicContact CE1-CD2 4.49Å; F365-L378 HydrophobicContact CZ-CD2 3.69Å; F365-G379 WeakPolarHBondContact CD2-O 3.49Å |
| 366 | V | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.7 | -175.7 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | F30 L232 L233 I234 F276 L278 L326 F364 G379 V381 | F30-V366 HydrophobicContact CD2-CG1 4.46Å; L232-V366 HydrophobicContact CD1-CG2 3.59Å; L232-V366 HydrophobicContact CG-CG2 4.21Å; L233-V366 WeakPolarHBondContact O-CA 3.27Å; I234-V366 HydrophobicContact CD1-CB 3.93Å; I234-V366 HydrophobicContact CD1-CG2 3.71Å; F276-V366 HydrophobicContact CZ-CG2 4.21Å; L278-V366 HydrophobicContact CD1-CG1 4.05Å; L326-V366 HydrophobicContact CD2-CG2 4.15Å; F364-V366 HydrophobicContact CD2-CB 4.31Å; F364-V366 HydrophobicContact CE2-CB 4.1Å; V366-G379 PolarHBondContact N-O 2.9Å; V366-G379 PolarHBondContact O-N 3.08Å; V366-G379 VanDerWaalsContact O-O 3.13Å; V366-V381 HydrophobicContact CG1-CG2 4.15Å |
| 367 | S | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.8 | 173.6 | -176 | 0 | 0 | 0 | 0 | 111.1 | L233 I369 F377 | L233-S367 PolarHBondContact N-O 2.88Å; L233-S367 PolarHBondContact O-N 2.97Å; S367-I369 WeakPolarHBondContact OG-CD1 3.22Å; S367-F377 VanDerWaalsContact CA-O 3.29Å; S367-F377 WeakPolarHBondContact CA-O 3.49Å; S367-F377 VanDerWaalsContact CB-O 3.28Å; S367-F377 WeakPolarHBondContact CB-O 3.21Å; S367-F377 PolarHBondContact OG-O 3.23Å |
| 368 | I | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.2 | 162.8 | -60.3 | 179.2 | 0 | 0 | 0 | 106.9 | F171 F225 F230 S231 L232 L326 I376 F377 | F171-I368 HydrophobicContact CB-CD1 4.2Å; F171-I368 HydrophobicContact CD1-CD1 3.42Å; F171-I368 VanDerWaalsContact CD1-CD1 3.42Å; F171-I368 HydrophobicContact CD2-CD1 4.18Å; F171-I368 HydrophobicContact CD2-CG2 4.32Å; F171-I368 HydrophobicContact CE1-CD1 3.72Å; F171-I368 HydrophobicContact CE2-CD1 4.43Å; F171-I368 HydrophobicContact CE2-CG2 3.9Å; F171-I368 HydrophobicContact CG-CD1 3.67Å; F171-I368 HydrophobicContact CZ-CD1 4.22Å; F171-I368 HydrophobicContact CZ-CG2 3.99Å; F225-I368 HydrophobicContact CE2-CG2 4.39Å; F230-I368 HydrophobicContact CD1-CG2 4.37Å; S231-I368 WeakPolarHBondContact O-CA 3.38Å; L232-I368 HydrophobicContact CD1-CG1 4.08Å; L326-I368 HydrophobicContact CD1-CD1 3.73Å; L326-I368 HydrophobicContact CD1-CG1 4.44Å; I368-I376 PolarHBondContact O-N 3.3Å; I368-F377 HydrophobicContact CB-CB 4.5Å; I368-F377 HydrophobicContact CB-CD2 3.92Å; I368-F377 HydrophobicContact CD1-CD2 3.83Å; I368-F377 HydrophobicContact CD1-CE2 4.09Å; I368-F377 HydrophobicContact CG1-CD2 4.2Å; I368-F377 PolarHBondContact N-O 2.93Å |
| 369 | I | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.5 | -176.2 | -54 | -58.9 | 0 | 0 | 0 | 109.5 | F230 S231 L233 I256 L260 S367 D372 V374 P375 | F230-I369 VanDerWaalsContact CA-O 3.31Å; F230-I369 WeakPolarHBondContact CA-O 3.38Å; S231-I369 PolarHBondContact N-O 3.45Å; S231-I369 PolarHBondContact O-N 2.86Å; L233-I369 HydrophobicContact CB-CD1 4.47Å; L233-I369 HydrophobicContact CB-CG1 3.78Å; L233-I369 HydrophobicContact CD2-CD1 4.26Å; L233-I369 HydrophobicContact CD2-CG1 4.22Å; I256-I369 HydrophobicContact CD1-CD1 3.91Å; L260-I369 HydrophobicContact CD1-CD1 4Å; L260-I369 HydrophobicContact CD2-CD1 3.75Å; L260-I369 HydrophobicContact CD2-CG1 3.85Å; L260-I369 HydrophobicContact CD2-CG2 4.04Å; L260-I369 HydrophobicContact CG-CD1 4.44Å; S367-I369 WeakPolarHBondContact OG-CD1 3.22Å; I369-D372 VanDerWaalsContact CG2-C 3.41Å; I369-V374 WeakPolarHBondContact CA-O 3.42Å; I369-P375 HydrophobicContact CD1-CB 4.18Å |
| 370 | W | 95.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.015 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132 | 172.5 | 177.8 | 60.9 | 0 | 0 | 0 | 110.6 | L77 D80 C81 K229 F230 D372 S373 V374 I376 | L77-W370 HydrophobicContact CD2-CH2 4.28Å; L77-W370 HydrophobicContact CD2-CZ3 3.99Å; D80-W370 HydrophobicContact CB-CH2 4.04Å; D80-W370 HydrophobicContact CB-CZ2 3.92Å; D80-W370 VanDerWaalsContact CG-CZ2 3.44Å; D80-W370 WeakPolarHBondContact OD2-CH2 3.4Å; D80-W370 WeakPolarHBondContact OD2-CZ2 3.47Å; C81-W370 HydrophobicContact CB-CD2 4.16Å; C81-W370 HydrophobicContact CB-CE3 4.33Å; C81-W370 HydrophobicContact CB-CH2 4.22Å; C81-W370 HydrophobicContact CB-CZ2 4.01Å; C81-W370 HydrophobicContact CB-CZ3 4.36Å; K229-W370 CarbonylContact O-C 3.57Å; K229-W370 VanDerWaalsContact O-CA 3.32Å; K229-W370 WeakPolarHBondContact O-CA 3.36Å; F230-W370 HydrophobicContact CD1-CB 4.21Å; F230-W370 AromaticContact CD1-CD1 3.98Å; F230-W370 HydrophobicContact CD1-CG 4.48Å; F230-W370 HydrophobicContact CE1-CB 4.05Å; F230-W370 AromaticContact CE1-CD1 3.45Å; F230-W370 VanDerWaalsContact CE1-CD1 3.45Å; F230-W370 AromaticContact CE1-CG 4Å; F230-W370 HydrophobicContact CE1-CG 4Å; F230-W370 AromaticContact CZ-CD1 3.56Å; F230-W370 HydrophobicContact CZ-CG 4.46Å; W370-D372 PolarHBondContact O-N 3.43Å; W370-S373 PolarHBondContact O-N 2.77Å; W370-V374 HydrophobicContact CB-CB 4.38Å; W370-V374 HydrophobicContact CE3-CB 3.91Å; W370-V374 HydrophobicContact CE3-CG1 4.16Å; W370-V374 HydrophobicContact CE3-CG2 3.94Å; W370-V374 HydrophobicContact CZ3-CG2 4.38Å; W370-V374 PolarHBondContact N-O 3.21Å; W370-V374 PolarHBondContact O-N 2.93Å; W370-I376 HydrophobicContact CB-CD1 3.66Å; W370-I376 HydrophobicContact CB-CG1 3.59Å; W370-I376 HydrophobicContact CE3-CD1 4.37Å; W370-I376 HydrophobicContact CG-CD1 4.32Å |
| 371 | K | 94.7 | Very high | 94.9 | Very high | 85 Ų | 85 | 12.1 Ų | 12.1 | 37% | 0.37 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 43.5 | -178.7 | -62.9 | 179.9 | 178.1 | -179 | 0 | 112.5 | D80 K229 S373 | D80-K371 IonicContact OD1-NZ 2.86Å; D80-K371 PolarHBondContact OD1-NZ 3.36Å; D80-K371 IonicContact OD2-NZ 3.72Å; D80-K371 PolarHBondContact OD2-NZ 2.7Å; K229-K371 PolarHBondContact O-N 2.76Å; K371-S373 PolarHBondContact O-N 3.28Å; K371-S373 PolarHBondContact O-OG 2.8Å |
| 372 | D | 92.5 | Very high | 94.7 | Very high | 79 Ų | 79 | 11.2 Ų | 11.2 | 42% | 0.422 | 6% | 0.059 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 2.6 | 179.4 | -71.8 | -58.1 | 0 | 0 | 0 | 117.7 | K222 I369 W370 | K222-D372 IonicContact NZ-OD1 3.89Å; K222-D372 PolarHBondContact NZ-OD1 3.12Å; I369-D372 VanDerWaalsContact CG2-C 3.41Å; W370-D372 PolarHBondContact O-N 3.43Å |
| 373 | S | 90.7 | Very high | 94.4 | Very high | 40 Ų | 40 | 11.5 Ų | 11.5 | 28% | 0.28 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | -10.4 | -166 | 74.4 | 0 | 0 | 0 | 0 | 114.8 | K8 W370 K371 | K8-S373 WeakPolarHBondContact CE-O 3.41Å; K8-S373 VanDerWaalsContact NZ-CB 3.27Å; K8-S373 PolarHBondContact NZ-O 3.17Å; K8-S373 PolarHBondContact NZ-OG 2.88Å; W370-S373 PolarHBondContact O-N 2.77Å; K371-S373 PolarHBondContact O-N 3.28Å; K371-S373 PolarHBondContact O-OG 2.8Å |
| 374 | V | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.8 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 110 | L4 L7 F34 I369 W370 I376 | L4-V374 HydrophobicContact CD1-CG2 3.54Å; L7-V374 HydrophobicContact CD2-CG1 3.93Å; F34-V374 HydrophobicContact CD2-CG1 3.99Å; F34-V374 HydrophobicContact CE2-CG1 4.34Å; I369-V374 WeakPolarHBondContact CA-O 3.42Å; W370-V374 HydrophobicContact CB-CB 4.38Å; W370-V374 HydrophobicContact CE3-CB 3.91Å; W370-V374 HydrophobicContact CE3-CG1 4.16Å; W370-V374 HydrophobicContact CE3-CG2 3.94Å; W370-V374 HydrophobicContact CZ3-CG2 4.38Å; W370-V374 PolarHBondContact N-O 3.21Å; W370-V374 PolarHBondContact O-N 2.93Å; V374-I376 HydrophobicContact CG1-CD1 4.1Å; V374-I376 PolarHBondContact O-N 2.8Å |
| 375 | P | 93.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 114.3 | 171 | 29.7 | -34.3 | 0 | 0 | 0 | 110.6 | I256 I369 L378 | I256-P375 HydrophobicContact CD1-CB 4.24Å; I256-P375 HydrophobicContact CG2-CB 4.11Å; I256-P375 HydrophobicContact CG2-CG 3.8Å; I369-P375 HydrophobicContact CD1-CB 4.18Å; P375-L378 HydrophobicContact CB-CD1 4.5Å; P375-L378 HydrophobicContact CB-CD2 3.61Å; P375-L378 HydrophobicContact CB-CG 4.08Å; P375-L378 HydrophobicContact CG-CD2 4.46Å |
| 376 | I | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -40.4 | 173.5 | -56.3 | -55.2 | 0 | 0 | 0 | 110.2 | S32 F34 C81 I90 F92 I368 W370 V374 | S32-I376 WeakPolarHBondContact CA-O 3.3Å; S32-I376 VanDerWaalsContact CB-O 3.3Å; S32-I376 WeakPolarHBondContact CB-O 3.16Å; S32-I376 PolarHBondContact OG-O 3.02Å; F34-I376 HydrophobicContact CB-CD1 4.29Å; F34-I376 HydrophobicContact CB-CG2 4.46Å; F34-I376 HydrophobicContact CD2-CD1 3.45Å; F34-I376 VanDerWaalsContact CD2-CD1 3.45Å; F34-I376 HydrophobicContact CE2-CD1 3.89Å; F34-I376 HydrophobicContact CG-CD1 3.9Å; C81-I376 VanDerWaalsContact SG-CD1 3.56Å; I90-I376 HydrophobicContact CD1-CG2 3.6Å; F92-I376 HydrophobicContact CE1-CG2 4.29Å; F92-I376 HydrophobicContact CZ-CG2 4.22Å; I368-I376 PolarHBondContact O-N 3.3Å; W370-I376 HydrophobicContact CB-CD1 3.66Å; W370-I376 HydrophobicContact CB-CG1 3.59Å; W370-I376 HydrophobicContact CE3-CD1 4.37Å; W370-I376 HydrophobicContact CG-CD1 4.32Å; V374-I376 HydrophobicContact CG1-CD1 4.1Å; V374-I376 PolarHBondContact O-N 2.8Å |
| 377 | F | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.2 | 176.5 | -62.5 | -95.6 | 0 | 0 | 0 | 110.6 | F30 L31 I90 T169 F171 A324 S367 I368 | F30-F377 HydrophobicContact CD1-CD1 4.15Å; F30-F377 HydrophobicContact CE1-CB 4.04Å; F30-F377 AromaticContact CE1-CD1 3.22Å; F30-F377 HydrophobicContact CE1-CD1 3.22Å; F30-F377 AromaticContact CE1-CE1 3.73Å; F30-F377 HydrophobicContact CE1-CE1 3.73Å; F30-F377 AromaticContact CE1-CG 3.81Å; F30-F377 HydrophobicContact CE1-CG 3.81Å; F30-F377 HydrophobicContact CE2-CB 3.59Å; F30-F377 HydrophobicContact CE2-CD1 4.36Å; F30-F377 HydrophobicContact CE2-CG 4.25Å; F30-F377 HydrophobicContact CZ-CB 3.26Å; F30-F377 AromaticContact CZ-CD1 3.37Å; F30-F377 HydrophobicContact CZ-CD1 3.37Å; F30-F377 HydrophobicContact CZ-CD2 4.32Å; F30-F377 HydrophobicContact CZ-CE1 4.19Å; F30-F377 AromaticContact CZ-CG 3.42Å; F30-F377 HydrophobicContact CZ-CG 3.42Å; F30-F377 VanDerWaalsContact CZ-CG 3.42Å; L31-F377 CarbonylContact O-C 3.55Å; L31-F377 VanDerWaalsContact O-CA 3.24Å; L31-F377 WeakPolarHBondContact O-CA 3.45Å; I90-F377 HydrophobicContact CD1-CE2 4.41Å; T169-F377 HydrophobicContact CG2-CE1 3.78Å; T169-F377 HydrophobicContact CG2-CE2 3.99Å; T169-F377 HydrophobicContact CG2-CZ 3.26Å; F171-F377 HydrophobicContact CB-CE2 3.65Å; F171-F377 HydrophobicContact CB-CZ 3.81Å; F171-F377 HydrophobicContact CD2-CE2 4.41Å; F171-F377 HydrophobicContact CG-CE2 4.25Å; A324-F377 HydrophobicContact CB-CD1 3.99Å; A324-F377 HydrophobicContact CB-CE1 3.75Å; S367-F377 VanDerWaalsContact CA-O 3.29Å; S367-F377 WeakPolarHBondContact CA-O 3.49Å; S367-F377 VanDerWaalsContact CB-O 3.28Å; S367-F377 WeakPolarHBondContact CB-O 3.21Å; S367-F377 PolarHBondContact OG-O 3.23Å; I368-F377 HydrophobicContact CB-CB 4.5Å; I368-F377 HydrophobicContact CB-CD2 3.92Å; I368-F377 HydrophobicContact CD1-CD2 3.83Å; I368-F377 HydrophobicContact CD1-CE2 4.09Å; I368-F377 HydrophobicContact CG1-CD2 4.2Å; I368-F377 PolarHBondContact N-O 2.93Å |
| 378 | L | 93.4 | Very high | 86.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.6 | 172.6 | -62.2 | 175.9 | 0 | 0 | 0 | 108.6 | S11 Y15 L31 P33 I256 F365 P375 | S11-L378 VanDerWaalsContact O-CD1 3.24Å; S11-L378 WeakPolarHBondContact O-CD1 3.27Å; Y15-L378 HydrophobicContact CD1-CB 4.45Å; Y15-L378 HydrophobicContact CD2-CB 3.52Å; Y15-L378 HydrophobicContact CD2-CD1 4.48Å; Y15-L378 HydrophobicContact CE2-CB 3.95Å; Y15-L378 HydrophobicContact CG-CB 3.8Å; Y15-L378 HydrophobicContact CG-CD1 4.01Å; L31-L378 PolarHBondContact N-O 2.91Å; L31-L378 PolarHBondContact O-N 3.35Å; P33-L378 HydrophobicContact CG-CB 4.26Å; P33-L378 HydrophobicContact CG-CD1 3.51Å; P33-L378 HydrophobicContact CG-CG 3.8Å; I256-L378 HydrophobicContact CB-CD2 4.33Å; I256-L378 HydrophobicContact CD1-CD2 3.4Å; I256-L378 VanDerWaalsContact CD1-CD2 3.4Å; I256-L378 HydrophobicContact CG1-CD2 4.46Å; I256-L378 HydrophobicContact CG2-CD2 4.18Å; F365-L378 HydrophobicContact CE1-CD2 4.49Å; F365-L378 HydrophobicContact CZ-CD2 3.69Å; P375-L378 HydrophobicContact CB-CD1 4.5Å; P375-L378 HydrophobicContact CB-CD2 3.61Å; P375-L378 HydrophobicContact CB-CG 4.08Å; P375-L378 HydrophobicContact CG-CD2 4.46Å |
| 379 | G | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 177 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y15 T29 F365 V366 | Y15-G379 VanDerWaalsContact OH-CA 3.28Å; Y15-G379 WeakPolarHBondContact OH-CA 2.9Å; Y15-G379 PolarHBondContact OH-O 3.43Å; T29-G379 CarbonylContact O-C 3.52Å; T29-G379 WeakPolarHBondContact O-CA 3.32Å; F365-G379 WeakPolarHBondContact CD2-O 3.49Å; V366-G379 PolarHBondContact N-O 2.9Å; V366-G379 PolarHBondContact O-N 3.08Å; V366-G379 VanDerWaalsContact O-O 3.13Å |
| 380 | H | 93.5 | Very high | 85 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.7 | 172.6 | 63.6 | -84.2 | 0 | 0 | 0 | 110.2 | Y15 E27 T29 L243 L247 F364 | Y15-H380 AromaticContact CZ-ND1 3.93Å; Y15-H380 PolarHBondContact OH-N 2.69Å; Y15-H380 PolarHBondContact OH-ND1 2.94Å; E27-H380 PolarHBondContact O-CD2 3.48Å; E27-H380 PolarHBondContact O-NE2 3.15Å; T29-H380 VanDerWaalsContact CB-CE1 3.47Å; T29-H380 WeakPolarHBondContact CB-CE1 3.29Å; T29-H380 PolarHBondContact N-O 3.46Å; T29-H380 PolarHBondContact O-N 3.11Å; L243-H380 HydrophobicContact CD1-CB 4.2Å; L243-H380 HydrophobicContact CD2-CB 4.05Å; L247-H380 HydrophobicContact CD2-CB 4.37Å; F364-H380 CarbonylContact O-C 3.44Å; F364-H380 VanDerWaalsContact O-CA 3.29Å; F364-H380 WeakPolarHBondContact O-CA 3.28Å |
| 381 | V | 93.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.4 | -179.9 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | N28 F276 L278 S363 F364 V366 P384 | N28-V381 WeakPolarHBondContact OD1-CA 3.38Å; F276-V381 HydrophobicContact CD2-CG2 3.83Å; F276-V381 HydrophobicContact CE2-CG2 3.83Å; F276-V381 HydrophobicContact CG-CG2 4.46Å; L278-V381 HydrophobicContact CD1-CG2 3.95Å; L278-V381 HydrophobicContact CD2-CG2 4.03Å; L278-V381 HydrophobicContact CG-CG2 4.31Å; S363-V381 CarbonylContact C-O 3.35Å; S363-V381 WeakPolarHBondContact CA-O 3.31Å; S363-V381 WeakPolarHBondContact CB-O 3.46Å; F364-V381 HydrophobicContact CD1-CB 4.03Å; F364-V381 HydrophobicContact CD2-CB 4.35Å; F364-V381 HydrophobicContact CD2-CG2 4.24Å; F364-V381 HydrophobicContact CE1-CB 3.59Å; F364-V381 HydrophobicContact CE1-CG1 3.82Å; F364-V381 HydrophobicContact CE1-CG2 4.02Å; F364-V381 HydrophobicContact CE2-CB 3.92Å; F364-V381 HydrophobicContact CE2-CG2 3.51Å; F364-V381 HydrophobicContact CG-CB 4.42Å; F364-V381 HydrophobicContact CZ-CB 3.54Å; F364-V381 HydrophobicContact CZ-CG1 3.95Å; F364-V381 HydrophobicContact CZ-CG2 3.4Å; F364-V381 VanDerWaalsContact CZ-CG2 3.4Å; F364-V381 PolarHBondContact N-O 3.04Å; F364-V381 PolarHBondContact O-N 3.12Å; V366-V381 HydrophobicContact CG1-CG2 4.15Å; V381-P384 HydrophobicContact CG1-CB 4.17Å |
| 382 | T | 92.5 | Very high | 83.8 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -96.1 | -25 | 168.6 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | S26 N28 L192 L243 | S26-T382 WeakPolarHBondContact O-CB 3.33Å; S26-T382 PolarHBondContact O-OG1 3.44Å; N28-T382 PolarHBondContact OD1-N 2.97Å; N28-T382 PolarHBondContact OD1-OG1 2.77Å; L192-T382 HydrophobicContact CD1-CG2 3.71Å; L192-T382 HydrophobicContact CG-CG2 4.33Å; L243-T382 HydrophobicContact CD2-CG2 3.99Å |
| 383 | N | 89.9 | Confident | 83.3 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | trans | -143.1 | 115.3 | 175.3 | 174.1 | 8.9 | 0 | 0 | 0 | 110.8 | N28 M197 I385 Q387 | N28-N383 PolarHBondContact ND2-O 3.37Å; N28-N383 PolarHBondContact OD1-N 3.04Å; N28-N383 PolarHBondContact OD1-O 3.03Å; M197-N383 WeakPolarHBondContact CE-OD1 3.38Å; M197-N383 PolarHBondContact SD-OD1 2.83Å; N383-I385 PolarHBondContact ND2-O 3.01Å; N383-I385 PolarHBondContact O-N 2.96Å; N383-I385 PolarHBondContact OD1-N 3.17Å; N383-I385 PolarHBondContact OD1-O 2.67Å; N383-Q387 WeakPolarHBondContact ND2-CG 3.22Å; N383-Q387 PolarHBondContact ND2-NE2 2.88Å | ||
| 384 | P | 88.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -76.5 | -17 | -178 | 30.2 | -35.1 | 0 | 0 | 0 | 114.5 | F189 V199 P274 F276 K277 V381 | F189-P384 HydrophobicContact CD1-CG 4.3Å; F189-P384 HydrophobicContact CD2-CG 3.98Å; F189-P384 HydrophobicContact CE1-CG 4.46Å; F189-P384 HydrophobicContact CE2-CG 4.15Å; F189-P384 HydrophobicContact CG-CG 4.06Å; F189-P384 HydrophobicContact CZ-CG 4.37Å; V199-P384 HydrophobicContact CB-CG 4.3Å; V199-P384 HydrophobicContact CG1-CG 3.52Å; P274-P384 HydrophobicContact CB-CB 4.25Å; P274-P384 HydrophobicContact CG-CB 4.45Å; F276-P384 VanDerWaalsContact CA-O 3.25Å; F276-P384 WeakPolarHBondContact CA-O 3.4Å; F276-P384 HydrophobicContact CB-CB 3.53Å; K277-P384 PolarHBondContact N-O 3.08Å; V381-P384 HydrophobicContact CG1-CB 4.17Å |
| 385 | I | 82 | Confident | 82 | Confident | 82 Ų | 82 | 45.2 Ų | 45.2 | 42% | 0.421 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -95.5 | 118.9 | 179.2 | -56 | -173.3 | 0 | 0 | 0 | 109.2 | M197 N198 V199 N383 Q387 | M197-I385 HydrophobicContact CE-CB 3.73Å; M197-I385 HydrophobicContact CE-CD1 3.61Å; M197-I385 HydrophobicContact CE-CG1 3.64Å; N198-I385 VanDerWaalsContact O-CD1 3.25Å; N198-I385 WeakPolarHBondContact O-CD1 3.33Å; V199-I385 HydrophobicContact CG1-CD1 4.21Å; V199-I385 HydrophobicContact CG1-CG1 4.27Å; N383-I385 PolarHBondContact ND2-O 3.01Å; N383-I385 PolarHBondContact O-N 2.96Å; N383-I385 PolarHBondContact OD1-N 3.17Å; N383-I385 PolarHBondContact OD1-O 2.67Å; I385-Q387 PolarHBondContact O-N 2.54Å |
| 386 | D | 60 | Low | 81 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 34% | 0.337 | 22% | 0.218 | S | C | . | . | trans | -45.6 | 111.5 | 169.9 | -95 | -9.7 | 0 | 0 | 0 | 109.1 | K277 Y388 | K277-D386 WeakPolarHBondContact CD-OD2 3.48Å; K277-D386 WeakPolarHBondContact CE-OD2 3.44Å; K277-D386 WeakPolarHBondContact CG-OD2 3.32Å; K277-D386 IonicContact NZ-OD2 2.63Å; K277-D386 PolarHBondContact NZ-OD2 2.96Å; D386-Y388 PolarHBondContact O-N 3.35Å | ||
| 387 | Q | 43.5 | Very low | 79.9 | Confident | 154 Ų | 154 | 52.7 Ų | 52.7 | 72% | 0.72 | 24% | 0.237 | S | C | * | . | trans | -84.4 | 98.3 | 163.4 | -69.5 | -175.4 | 20.9 | 0 | 0 | 106.8 | N383 I385 | N383-Q387 WeakPolarHBondContact ND2-CG 3.22Å; N383-Q387 PolarHBondContact ND2-NE2 2.88Å; I385-Q387 PolarHBondContact O-N 2.54Å | ||
| 388 | Y | 34.1 | Very low | 78.5 | Confident | 301 Ų | 301 | 57.5 Ų | 57.5 | 100% | 1.18 | 26% | 0.258 | S | S | * | . | trans | 39.1 | 0 | 167.2 | -66.8 | -80.3 | 0 | 0 | 0 | 119.2 | D386 | D386-Y388 PolarHBondContact O-N 3.35Š|
Retrieved 388 of 388 residues in 92.1 ms
(Link to these results)