| 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 | 94.9 | Very high | 88.3 | Confident | 17 Ų | 17 | 18.2 Ų | 18.2 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | 0 | 90.4 | 0 | -60.2 | -179.2 | 72.4 | 0 | 0 | 107.7 | A30 Y32 F100 I113 I114 D115 | M1-A30 HydrophobicContact CG-CB 4.2Å; M1-Y32 HydrophobicContact CE-CE2 4.39Å; M1-F100 HydrophobicContact CE-CE1 4.22Å; M1-F100 HydrophobicContact CE-CZ 4.08Å; M1-I113 PolarHBondContact N-O 2.8Å; M1-I114 HydrophobicContact CB-CG1 4.45Å; M1-I114 HydrophobicContact SD-CG1 4.28Å; M1-D115 WeakPolarHBondContact O-CB 3.45Å; M1-D115 PolarHBondContact O-N 3.48Å | |||
| 2 | P | 92.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 165 | 173.4 | -16.9 | 32.8 | 0 | 0 | 0 | 112 | H9 V10 M13 L29 A30 Q119 | P2-H9 HydrophobicContact CB-CB 4.44Å; P2-V10 HydrophobicContact CB-CB 4.27Å; P2-V10 HydrophobicContact CB-CG2 3.73Å; P2-V10 HydrophobicContact CG-CB 4.2Å; P2-V10 HydrophobicContact CG-CG1 4.32Å; P2-V10 HydrophobicContact CG-CG2 3.9Å; P2-M13 VanDerWaalsContact CA-SD 3.56Å; P2-M13 HydrophobicContact CB-SD 3.81Å; P2-M13 HydrophobicContact CG-SD 3.73Å; P2-L29 HydrophobicContact CG-CD2 4.22Å; P2-A30 VanDerWaalsContact CD-O 3.28Å; P2-A30 WeakPolarHBondContact CD-O 3.47Å; P2-Q119 WeakPolarHBondContact O-CG 3.36Å |
| 3 | A | 90.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -46.8 | 145.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | T5 V6 H9 D115 L117 F118 | A3-T5 PolarHBondContact O-N 3.11Å; A3-V6 HydrophobicContact CB-CB 4.1Å; A3-V6 HydrophobicContact CB-CG2 4.07Å; A3-H9 HydrophobicContact CB-CB 3.85Å; A3-H9 VanDerWaalsContact CB-ND1 3.28Å; A3-H9 WeakPolarHBondContact CB-ND1 3.29Å; A3-D115 PolarHBondContact N-OD2 2.9Å; A3-D115 VanDerWaalsContact N-OD2 3.17Å; A3-L117 WeakPolarHBondContact CB-O 3.48Å; A3-F118 HydrophobicContact CB-CB 4.32Å |
| 4 | L | 86.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 130.2 | 177.7 | -60.5 | 175.4 | 0 | 0 | 0 | 110.1 | V6 Y32 A84 I87 F118 P120 | L4-V6 WeakPolarHBondContact O-CG2 3.23Å; L4-V6 PolarHBondContact O-N 3.24Å; L4-Y32 HydrophobicContact CD2-CD1 3.51Å; L4-Y32 HydrophobicContact CD2-CD2 3.5Å; L4-Y32 VanDerWaalsContact CD2-CD2 3.5Å; L4-Y32 HydrophobicContact CD2-CE1 3.79Å; L4-Y32 HydrophobicContact CD2-CE2 3.82Å; L4-Y32 HydrophobicContact CD2-CG 3.32Å; L4-A84 HydrophobicContact CD1-CB 4.45Å; L4-I87 HydrophobicContact CD1-CB 4.16Å; L4-I87 HydrophobicContact CD1-CG2 3.9Å; L4-F118 WeakPolarHBondContact CG-O 3.29Å; L4-F118 PolarHBondContact N-O 2.99Å; L4-P120 HydrophobicContact CD1-CG 4Å |
| 5 | T | 82.2 | Confident | 89 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 5% | 0.049 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 22.1 | 172.4 | 62.9 | 0 | 0 | 0 | 0 | 116.1 | A3 P7 T52 | A3-T5 PolarHBondContact O-N 3.11Å; T5-P7 WeakPolarHBondContact O-CD 3.33Å; T5-T52 VanDerWaalsContact CG2-OG1 3.26Å; T5-T52 WeakPolarHBondContact CG2-OG1 3.43Å |
| 6 | V | 84.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 16.3 Ų | 16.3 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | trans | -115.9 | 90.9 | 178 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | A3 L4 S8 H9 V10 F57 M58 F275 | A3-V6 HydrophobicContact CB-CB 4.1Å; A3-V6 HydrophobicContact CB-CG2 4.07Å; L4-V6 WeakPolarHBondContact O-CG2 3.23Å; L4-V6 PolarHBondContact O-N 3.24Å; V6-S8 WeakPolarHBondContact CG1-OG 3.26Å; V6-S8 PolarHBondContact O-N 3.24Å; V6-H9 HydrophobicContact CB-CB 4.29Å; V6-H9 HydrophobicContact CG1-CB 4.43Å; V6-H9 WeakPolarHBondContact CG1-CD2 3.45Å; V6-H9 WeakPolarHBondContact O-CB 3.27Å; V6-H9 PolarHBondContact O-N 3.32Å; V6-V10 PolarHBondContact O-N 3.4Å; V6-F57 HydrophobicContact CG2-CE2 4.45Å; V6-F57 HydrophobicContact CG2-CZ 3.89Å; V6-M58 HydrophobicContact CG2-CE 4.29Å; V6-F275 HydrophobicContact CG1-CE1 4.22Å; V6-F275 HydrophobicContact CG1-CE2 4.45Å; V6-F275 HydrophobicContact CG1-CZ 3.52Å | ||
| 7 | P | 84.7 | Confident | 89.5 | Confident | 33 Ų | 33 | 15.7 Ų | 15.7 | 21% | 0.214 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.9 | -29.4 | -177.9 | -28.1 | 35.1 | 0 | 0 | 0 | 114.2 | T5 H9 V10 K11 E38 L40 | T5-P7 WeakPolarHBondContact O-CD 3.33Å; P7-H9 VanDerWaalsContact C-N 3.29Å; P7-H9 PolarHBondContact O-N 2.85Å; P7-V10 WeakPolarHBondContact O-CB 3.43Å; P7-V10 PolarHBondContact O-N 3.12Å; P7-K11 WeakPolarHBondContact O-CG 3.4Å; P7-K11 PolarHBondContact O-N 2.62Å; P7-E38 HydrophobicContact CG-CB 4.1Å; P7-E38 HydrophobicContact CG-CG 4.36Å; P7-L40 HydrophobicContact CB-CD1 4.17Å; P7-L40 HydrophobicContact CB-CG 4.45Å; P7-L40 WeakPolarHBondContact O-CD1 3.38Å |
| 8 | S | 85.3 | Confident | 89.7 | Confident | 20 Ų | 20 | 20.4 Ų | 20.4 | 14% | 0.14 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.1 | -30.8 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 112.7 | V6 S12 F275 K345 | V6-S8 WeakPolarHBondContact CG1-OG 3.26Å; V6-S8 PolarHBondContact O-N 3.24Å; S8-S12 PolarHBondContact O-N 2.84Å; S8-S12 VanDerWaalsContact O-N 3.08Å; S8-S12 PolarHBondContact O-OG 3.42Å; S8-F275 WeakPolarHBondContact OG-CE2 3.25Å; S8-F275 VanDerWaalsContact OG-CZ 3.24Å; S8-F275 WeakPolarHBondContact OG-CZ 3.28Å; S8-K345 PolarHBondContact O-NZ 2.96Å |
| 9 | H | 90.1 | Very high | 89.8 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 11% | 0.111 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.1 | -40.1 | 175.9 | -76.9 | -129.8 | 0 | 0 | 0 | 111.3 | P2 A3 V6 P7 K11 S12 M13 D115 L117 T139 | P2-H9 HydrophobicContact CB-CB 4.44Å; A3-H9 HydrophobicContact CB-CB 3.85Å; A3-H9 VanDerWaalsContact CB-ND1 3.28Å; A3-H9 WeakPolarHBondContact CB-ND1 3.29Å; V6-H9 HydrophobicContact CB-CB 4.29Å; V6-H9 HydrophobicContact CG1-CB 4.43Å; V6-H9 WeakPolarHBondContact CG1-CD2 3.45Å; V6-H9 WeakPolarHBondContact O-CB 3.27Å; V6-H9 PolarHBondContact O-N 3.32Å; P7-H9 VanDerWaalsContact C-N 3.29Å; P7-H9 PolarHBondContact O-N 2.85Å; H9-K11 VanDerWaalsContact C-N 3.31Å; H9-K11 PolarHBondContact O-N 3Å; H9-S12 WeakPolarHBondContact O-CA 3.34Å; H9-S12 VanDerWaalsContact O-CB 3.29Å; H9-S12 WeakPolarHBondContact O-CB 3.33Å; H9-S12 PolarHBondContact O-N 2.87Å; H9-M13 PolarHBondContact O-N 2.94Å; H9-M13 VanDerWaalsContact O-N 3.15Å; H9-D115 WeakPolarHBondContact CB-OD2 3.21Å; H9-D115 IonicContact CE1-OD2 3.33Å; H9-D115 IonicContact CG-OD2 3.51Å; H9-D115 IonicContact ND1-OD1 3.58Å; H9-D115 IonicContact ND1-OD2 2.72Å; H9-D115 PolarHBondContact ND1-OD2 3.28Å; H9-L117 VanDerWaalsContact CE1-CD2 3.5Å; H9-L117 WeakPolarHBondContact CE1-CD2 3.38Å; H9-T139 HydrophobicContact CB-CG2 4.17Å; H9-T139 PolarHBondContact CE1-OG1 3.41Å; H9-T139 PolarHBondContact ND1-OG1 2.91Å |
| 10 | V | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 170.6 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | P2 V6 P7 S12 M13 L14 Q31 L40 F47 | P2-V10 HydrophobicContact CB-CB 4.27Å; P2-V10 HydrophobicContact CB-CG2 3.73Å; P2-V10 HydrophobicContact CG-CB 4.2Å; P2-V10 HydrophobicContact CG-CG1 4.32Å; P2-V10 HydrophobicContact CG-CG2 3.9Å; V6-V10 PolarHBondContact O-N 3.4Å; P7-V10 WeakPolarHBondContact O-CB 3.43Å; P7-V10 PolarHBondContact O-N 3.12Å; V10-S12 PolarHBondContact O-N 3.33Å; V10-M13 PolarHBondContact O-N 3.49Å; V10-M13 VanDerWaalsContact O-N 3.13Å; V10-L14 PolarHBondContact O-N 3.19Å; V10-Q31 HydrophobicContact CG2-CG 4.04Å; V10-L40 HydrophobicContact CB-CD1 3.84Å; V10-L40 HydrophobicContact CG1-CD1 3.85Å; V10-F47 HydrophobicContact CG1-CE1 3.92Å |
| 11 | K | 88.9 | Confident | 90.2 | Very high | 87 Ų | 87 | 23.2 Ų | 23.2 | 38% | 0.378 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58.6 | -32.4 | 175.4 | -68.9 | 176 | -174.3 | 178.2 | 0 | 112.8 | P7 H9 P15 L40 | P7-K11 WeakPolarHBondContact O-CG 3.4Å; P7-K11 PolarHBondContact O-N 2.62Å; H9-K11 VanDerWaalsContact C-N 3.31Å; H9-K11 PolarHBondContact O-N 3Å; K11-P15 WeakPolarHBondContact O-CD 3.4Å; K11-L40 HydrophobicContact CD-CD1 4.42Å; K11-L40 HydrophobicContact CG-CD1 3.65Å |
| 12 | S | 88.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70 | -32 | 178.1 | -63 | 0 | 0 | 0 | 0 | 113.6 | S8 H9 V10 Y243 K345 | S8-S12 PolarHBondContact O-N 2.84Å; S8-S12 VanDerWaalsContact O-N 3.08Å; S8-S12 PolarHBondContact O-OG 3.42Å; H9-S12 WeakPolarHBondContact O-CA 3.34Å; H9-S12 VanDerWaalsContact O-CB 3.29Å; H9-S12 WeakPolarHBondContact O-CB 3.33Å; H9-S12 PolarHBondContact O-N 2.87Å; V10-S12 PolarHBondContact O-N 3.33Å; S12-Y243 VanDerWaalsContact CB-OH 3.28Å; S12-Y243 WeakPolarHBondContact CB-OH 3.42Å; S12-Y243 VanDerWaalsContact OG-CE1 3.27Å; S12-Y243 WeakPolarHBondContact OG-CE1 3.23Å; S12-Y243 PolarHBondContact OG-OH 3.27Å; S12-K345 WeakPolarHBondContact OG-CE 3.15Å; S12-K345 PolarHBondContact OG-NZ 3.05Å |
| 13 | M | 92.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -88.1 | -17 | -179.6 | -61.7 | -177.2 | 78.8 | 0 | 0 | 113.2 | P2 H9 V10 L16 A17 I113 D115 Y137 T139 | P2-M13 VanDerWaalsContact CA-SD 3.56Å; P2-M13 HydrophobicContact CB-SD 3.81Å; P2-M13 HydrophobicContact CG-SD 3.73Å; H9-M13 PolarHBondContact O-N 2.94Å; H9-M13 VanDerWaalsContact O-N 3.15Å; V10-M13 PolarHBondContact O-N 3.49Å; V10-M13 VanDerWaalsContact O-N 3.13Å; M13-L16 PolarHBondContact O-N 2.84Å; M13-A17 PolarHBondContact O-N 3.13Å; M13-A17 VanDerWaalsContact O-N 3.08Å; M13-I113 HydrophobicContact CE-CB 4.18Å; M13-I113 HydrophobicContact CE-CG2 3.56Å; M13-D115 HydrophobicContact SD-CB 4.34Å; M13-Y137 HydrophobicContact CE-CD1 4.16Å; M13-Y137 HydrophobicContact CE-CG 4.16Å; M13-Y137 HydrophobicContact CG-CD1 4.12Å; M13-Y137 HydrophobicContact CG-CE1 3.91Å; M13-Y137 HydrophobicContact SD-CD1 4.46Å; M13-T139 HydrophobicContact CG-CG2 4.3Å |
| 14 | L | 92 | Very high | 90.5 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.8 | -44.3 | -179 | -82.5 | 173.6 | 0 | 0 | 0 | 114.6 | V10 L16 A17 R18 L29 E42 V45 F47 | V10-L14 PolarHBondContact O-N 3.19Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.39Å; L14-R18 WeakPolarHBondContact O-CG 3.29Å; L14-R18 PolarHBondContact O-N 3.29Å; L14-L29 HydrophobicContact CD2-CD1 3.43Å; L14-L29 VanDerWaalsContact CD2-CD1 3.43Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; L14-E42 HydrophobicContact CD2-CB 4.22Å; L14-E42 HydrophobicContact CD2-CG 4.39Å; L14-V45 HydrophobicContact CD2-CG1 4.43Å; L14-V45 HydrophobicContact CD2-CG2 4.31Å; L14-F47 HydrophobicContact CD2-CZ 3.98Å |
| 15 | P | 90.6 | Very high | 90.9 | Very high | 34 Ų | 34 | 40 Ų | 40 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | 178.8 | -27.1 | 36.1 | 0 | 0 | 0 | 112.9 | K11 R18 A19 T424 | K11-P15 WeakPolarHBondContact O-CD 3.4Å; P15-R18 PolarHBondContact O-N 2.81Å; P15-A19 WeakPolarHBondContact O-CB 3.43Å; P15-A19 PolarHBondContact O-N 2.93Å; P15-T424 HydrophobicContact CB-CG2 4.44Å |
| 16 | L | 92.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 177.2 | -178.2 | 60.3 | 0 | 0 | 0 | 111.7 | M13 L14 R18 A19 L20 I113 Y137 K428 I431 | M13-L16 PolarHBondContact O-N 2.84Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.09Å; L16-R18 PolarHBondContact O-N 3.49Å; L16-A19 PolarHBondContact O-N 3.29Å; L16-A19 VanDerWaalsContact O-N 3.17Å; L16-L20 HydrophobicContact CD1-CD1 4.2Å; L16-L20 HydrophobicContact CD1-CG 4.26Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 2.67Å; L16-I113 HydrophobicContact CD2-CD1 4.27Å; L16-Y137 HydrophobicContact CD2-CD2 4.12Å; L16-Y137 HydrophobicContact CD2-CE2 3.7Å; L16-K428 HydrophobicContact CD1-CB 4.42Å; L16-I431 HydrophobicContact CD1-CD1 4.15Å; L16-I431 HydrophobicContact CD2-CD1 3.87Å; L16-I431 HydrophobicContact CG-CD1 4.35Å |
| 17 | A | 93.9 | Very high | 92 | Very high | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M13 L14 A19 L20 R21 I27 L29 | M13-A17 PolarHBondContact O-N 3.13Å; M13-A17 VanDerWaalsContact O-N 3.08Å; L14-A17 PolarHBondContact O-N 3.39Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.21Å; A17-L20 PolarHBondContact O-N 3.05Å; A17-R21 WeakPolarHBondContact O-CB 3.23Å; A17-R21 PolarHBondContact O-N 2.76Å; A17-I27 HydrophobicContact CB-CG2 3.88Å; A17-L29 HydrophobicContact CB-CD1 4.37Å |
| 18 | R | 92.4 | Very high | 92.4 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -40.7 | 175.3 | -67.2 | -179.2 | -150.6 | 136.9 | -3.9 | 111.6 | L14 P15 L16 K22 E42 V45 | L14-R18 WeakPolarHBondContact O-CG 3.29Å; L14-R18 PolarHBondContact O-N 3.29Å; P15-R18 PolarHBondContact O-N 2.81Å; L16-R18 PolarHBondContact O-N 3.49Å; R18-K22 WeakPolarHBondContact O-CG 3.35Å; R18-K22 PolarHBondContact O-N 3.3Å; R18-K22 VanDerWaalsContact O-N 3.13Å; R18-E42 IonicContact CZ-OE2 2.67Å; R18-E42 IonicContact NE-OE2 2.94Å; R18-E42 IonicContact NH2-OE2 3.46Å; R18-E42 PolarHBondContact NH2-OE2 3Å; R18-V45 HydrophobicContact CG-CG2 4.22Å |
| 19 | A | 92.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 45 Ų | 45 | 12% | 0.116 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P15 L16 A17 K22 T424 K428 | P15-A19 WeakPolarHBondContact O-CB 3.43Å; P15-A19 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 3.29Å; L16-A19 VanDerWaalsContact O-N 3.17Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A17-A19 PolarHBondContact O-N 3.21Å; A19-K22 WeakPolarHBondContact O-CB 3.41Å; A19-K22 PolarHBondContact O-N 3.3Å; A19-T424 HydrophobicContact CB-CG2 3.56Å; A19-K428 HydrophobicContact CB-CD 3.9Å; A19-K428 HydrophobicContact CB-CG 4.48Å; A19-K428 VanDerWaalsContact O-CD 3.28Å; A19-K428 WeakPolarHBondContact O-CD 3.45Å |
| 20 | L | 94.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.3 | -71.9 | 166.3 | 0 | 0 | 0 | 112.2 | L16 A17 K22 D23 H25 I27 I113 K428 I431 | L16-L20 HydrophobicContact CD1-CD1 4.2Å; L16-L20 HydrophobicContact CD1-CG 4.26Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 2.67Å; A17-L20 PolarHBondContact O-N 3.05Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.85Å; L20-D23 WeakPolarHBondContact O-CA 3.31Å; L20-D23 WeakPolarHBondContact O-CB 3.41Å; L20-D23 PolarHBondContact O-N 2.83Å; L20-H25 PolarHBondContact O-CD2 3.14Å; L20-H25 VanDerWaalsContact O-CD2 3.22Å; L20-H25 PolarHBondContact O-N 2.91Å; L20-I27 HydrophobicContact CB-CD1 3.93Å; L20-I27 HydrophobicContact CB-CG1 4.14Å; L20-I27 HydrophobicContact CD1-CD1 4.35Å; L20-I113 HydrophobicContact CD1-CD1 3.81Å; L20-K428 HydrophobicContact CD2-CG 3.9Å; L20-K428 HydrophobicContact CG-CG 4.38Å; L20-I431 HydrophobicContact CD1-CD1 3.98Å; L20-I431 HydrophobicContact CD1-CG2 4.31Å; L20-I431 HydrophobicContact CD2-CB 4.05Å; L20-I431 HydrophobicContact CD2-CD1 4.46Å; L20-I431 HydrophobicContact CD2-CG2 3.62Å |
| 21 | R | 93.8 | Very high | 93.3 | Very high | 101 Ų | 101 | 44 Ų | 44 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -36.7 | 177 | -172.5 | 179.3 | 177.2 | 122 | -5 | 112.6 | A17 D23 G24 I27 N44 | A17-R21 WeakPolarHBondContact O-CB 3.23Å; A17-R21 PolarHBondContact O-N 2.76Å; R21-D23 PolarHBondContact O-N 2.92Å; R21-G24 PolarHBondContact O-N 3.08Å; R21-I27 HydrophobicContact CB-CG1 4.23Å; R21-N44 WeakPolarHBondContact CD-O 3.26Å; R21-N44 PolarHBondContact NE-O 2.7Å; R21-N44 PolarHBondContact NH1-O 2.82Å |
| 22 | K | 93.5 | Very high | 93.5 | Very high | 176 Ų | 176 | 40.1 Ų | 40.1 | 77% | 0.765 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.7 | -24.8 | 173.8 | -75.3 | 174.6 | -179.4 | -178 | 0 | 112.9 | R18 A19 L20 | R18-K22 WeakPolarHBondContact O-CG 3.35Å; R18-K22 PolarHBondContact O-N 3.3Å; R18-K22 VanDerWaalsContact O-N 3.13Å; A19-K22 WeakPolarHBondContact O-CB 3.41Å; A19-K22 PolarHBondContact O-N 3.3Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.85Å |
| 23 | D | 94.6 | Very high | 93.6 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 6.5 | 174.5 | -70.1 | 4.3 | 0 | 0 | 0 | 112.8 | L20 R21 K428 N432 | L20-D23 WeakPolarHBondContact O-CA 3.31Å; L20-D23 WeakPolarHBondContact O-CB 3.41Å; L20-D23 PolarHBondContact O-N 2.83Å; R21-D23 PolarHBondContact O-N 2.92Å; D23-K428 VanDerWaalsContact CG-NZ 3.3Å; D23-K428 IonicContact OD1-NZ 2.65Å; D23-K428 PolarHBondContact OD1-NZ 3.38Å; D23-K428 WeakPolarHBondContact OD2-CD 3.45Å; D23-K428 WeakPolarHBondContact OD2-CE 3.29Å; D23-K428 WeakPolarHBondContact OD2-CG 3.24Å; D23-K428 IonicContact OD2-NZ 3.78Å; D23-K428 PolarHBondContact OD2-NZ 3.39Å; D23-K428 VanDerWaalsContact OD2-NZ 3.08Å; D23-N432 PolarHBondContact OD2-ND2 2.93Å |
| 24 | G | 94.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | 3.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R21 | R21-G24 PolarHBondContact O-N 3.08Š|
| 25 | H | 95.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.269 | 26% | 0.26 | S | S | . | . | trans | -73 | 142.4 | 177.9 | -63.3 | -61.3 | 0 | 0 | 0 | 112.4 | L20 I27 N432 L435 | L20-H25 PolarHBondContact O-CD2 3.14Å; L20-H25 VanDerWaalsContact O-CD2 3.22Å; L20-H25 PolarHBondContact O-N 2.91Å; H25-I27 HydrophobicContact CB-CD1 3.73Å; H25-I27 HydrophobicContact CB-CG1 4Å; H25-I27 PolarHBondContact O-N 2.93Å; H25-N432 PolarHBondContact NE2-OD1 3.06Å; H25-L435 VanDerWaalsContact CE1-CD1 3.47Å; H25-L435 WeakPolarHBondContact CE1-CD1 3.46Å | ||
| 26 | S | 94.4 | Very high | 93 | Very high | 107 Ų | 107 | 51.8 Ų | 51.8 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | trans | -79.4 | 115.2 | 165.5 | -169.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | I | 94.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | trans | -123 | 127.1 | -173.8 | -56.1 | -64.5 | 0 | 0 | 0 | 110 | A17 L20 R21 H25 | A17-I27 HydrophobicContact CB-CG2 3.88Å; L20-I27 HydrophobicContact CB-CD1 3.93Å; L20-I27 HydrophobicContact CB-CG1 4.14Å; L20-I27 HydrophobicContact CD1-CD1 4.35Å; R21-I27 HydrophobicContact CB-CG1 4.23Å; H25-I27 HydrophobicContact CB-CD1 3.73Å; H25-I27 HydrophobicContact CB-CG1 4Å; H25-I27 PolarHBondContact O-N 2.93Å | ||
| 28 | S | 94.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139 | 172.2 | -35.2 | 0 | 0 | 0 | 0 | 110.2 | E46 | S28-E46 CarbonylContact C-O 3.47Å; S28-E46 VanDerWaalsContact CA-O 3.27Å; S28-E46 WeakPolarHBondContact CA-O 3.42Å; S28-E46 PolarHBondContact OG-OE2 3.35Å |
| 29 | L | 95.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.1 | 174.9 | -76.7 | 170.2 | 0 | 0 | 0 | 109.8 | P2 L14 A17 Q31 V45 E46 F47 I48 | P2-L29 HydrophobicContact CG-CD2 4.22Å; L14-L29 HydrophobicContact CD2-CD1 3.43Å; L14-L29 VanDerWaalsContact CD2-CD1 3.43Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; A17-L29 HydrophobicContact CB-CD1 4.37Å; L29-Q31 PolarHBondContact O-N 3.14Å; L29-Q31 VanDerWaalsContact O-N 3.1Å; L29-V45 HydrophobicContact CD1-CG1 3.6Å; L29-V45 HydrophobicContact CG-CG1 3.98Å; L29-E46 PolarHBondContact N-O 2.89Å; L29-F47 HydrophobicContact CB-CD1 4.24Å; L29-F47 HydrophobicContact CB-CE1 4.37Å; L29-F47 HydrophobicContact CD1-CE1 4.16Å; L29-F47 HydrophobicContact CD1-CZ 4.12Å; L29-F47 WeakPolarHBondContact O-CA 3.37Å; L29-I48 PolarHBondContact O-N 3.42Å |
| 30 | A | 94.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 94.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 P2 I48 L50 F100 | M1-A30 HydrophobicContact CG-CB 4.2Å; P2-A30 VanDerWaalsContact CD-O 3.28Å; P2-A30 WeakPolarHBondContact CD-O 3.47Å; A30-I48 CarbonylContact C-O 3.54Å; A30-I48 WeakPolarHBondContact CA-O 3.4Å; A30-L50 HydrophobicContact CB-CD1 3.99Å; A30-F100 HydrophobicContact CB-CE2 3.88Å; A30-F100 HydrophobicContact CB-CZ 3.73Å |
| 31 | Q | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.3 | 179.4 | 177.8 | 175.2 | -8.8 | 0 | 0 | 110 | V10 L29 E38 F47 I48 Y49 L50 | V10-Q31 HydrophobicContact CG2-CG 4.04Å; L29-Q31 PolarHBondContact O-N 3.14Å; L29-Q31 VanDerWaalsContact O-N 3.1Å; Q31-E38 PolarHBondContact NE2-O 3.16Å; Q31-F47 HydrophobicContact CB-CD1 4.16Å; Q31-I48 PolarHBondContact N-O 3.35Å; Q31-Y49 HydrophobicContact CB-CD1 4.33Å; Q31-Y49 WeakPolarHBondContact O-CA 3.17Å; Q31-L50 PolarHBondContact O-N 3.14Å |
| 32 | Y | 92.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.9 | 170.2 | -65 | -96.7 | 0 | 0 | 0 | 109.7 | M1 L4 L50 T52 S91 Y101 | M1-Y32 HydrophobicContact CE-CE2 4.39Å; L4-Y32 HydrophobicContact CD2-CD1 3.51Å; L4-Y32 HydrophobicContact CD2-CD2 3.5Å; L4-Y32 VanDerWaalsContact CD2-CD2 3.5Å; L4-Y32 HydrophobicContact CD2-CE1 3.79Å; L4-Y32 HydrophobicContact CD2-CE2 3.82Å; L4-Y32 HydrophobicContact CD2-CG 3.32Å; Y32-L50 VanDerWaalsContact CA-O 3.32Å; Y32-L50 WeakPolarHBondContact CA-O 3.19Å; Y32-L50 HydrophobicContact CD1-CB 3.67Å; Y32-L50 HydrophobicContact CD1-CD1 4.08Å; Y32-L50 HydrophobicContact CD2-CD1 4.22Å; Y32-L50 HydrophobicContact CE1-CB 3.86Å; Y32-L50 HydrophobicContact CE1-CD1 3.55Å; Y32-L50 HydrophobicContact CE1-CG 4.35Å; Y32-L50 HydrophobicContact CE2-CD1 3.66Å; Y32-L50 HydrophobicContact CG-CB 4.17Å; Y32-L50 HydrophobicContact CG-CD1 4.42Å; Y32-T52 HydrophobicContact CD1-CG2 3.51Å; Y32-T52 HydrophobicContact CG-CG2 4.18Å; Y32-S91 WeakPolarHBondContact CE1-OG 3.16Å; Y32-Y101 PolarHBondContact OH-OH 2.85Å |
| 33 | Y | 91.1 | Very high | 91.1 | Very high | 36 Ų | 36 | 60 Ų | 60 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144.5 | -179.8 | 73.3 | -81.4 | 0 | 0 | 0 | 111.2 | E36 E38 K39 L50 T52 | Y33-E36 WeakPolarHBondContact CE2-OE1 3.47Å; Y33-E36 PolarHBondContact OH-OE1 3.5Å; Y33-E38 VanDerWaalsContact CA-OE2 3.31Å; Y33-E38 WeakPolarHBondContact CA-OE2 3.21Å; Y33-K39 HydrophobicContact CD1-CG 4.33Å; Y33-K39 HydrophobicContact CD2-CG 4.23Å; Y33-K39 HydrophobicContact CG-CG 4.04Å; Y33-K39 VanDerWaalsContact CZ-NZ 3.32Å; Y33-K39 WeakPolarHBondContact OH-CE 3.39Å; Y33-K39 PolarHBondContact OH-NZ 3.42Å; Y33-K39 VanDerWaalsContact OH-NZ 3.08Å; Y33-L50 VanDerWaalsContact CD1-O 3.27Å; Y33-L50 WeakPolarHBondContact CD1-O 3.41Å; Y33-L50 PolarHBondContact N-O 3.21Å; Y33-T52 VanDerWaalsContact C-OG1 3.22Å; Y33-T52 PolarHBondContact O-N 3.03Å; Y33-T52 PolarHBondContact O-OG1 3.32Å |
| 34 | S | 88.1 | Confident | 90.6 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -100.7 | -30.3 | 173.2 | 83 | 0 | 0 | 0 | 0 | 111.7 | E38 | S34-E38 PolarHBondContact N-OE2 3.44Å; S34-E38 PolarHBondContact OG-OE1 2.96Å |
| 35 | Q | 86.6 | Confident | 90.3 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -131.5 | 145.3 | -179.7 | -61 | 179.4 | 22.7 | 0 | 0 | 110.5 | M37 E38 | Q35-M37 HydrophobicContact CB-CG 4.17Å; Q35-M37 PolarHBondContact O-N 2.84Å; Q35-M37 VanDerWaalsContact O-N 3.15Å; Q35-E38 HydrophobicContact CB-CG 4.37Å; Q35-E38 WeakPolarHBondContact O-CB 3.47Å; Q35-E38 PolarHBondContact O-N 3.36Å |
| 36 | E | 88.4 | Confident | 90.2 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -58.2 | -31.6 | -177.8 | -71.1 | -65.3 | 136.5 | 0 | 0 | 113.1 | Y33 E38 K39 | Y33-E36 WeakPolarHBondContact CE2-OE1 3.47Å; Y33-E36 PolarHBondContact OH-OE1 3.5Å; E36-E38 PolarHBondContact O-N 2.61Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.37Å; E36-K39 WeakPolarHBondContact OE1-CE 3.29Å; E36-K39 IonicContact OE1-NZ 3.61Å; E36-K39 PolarHBondContact OE1-NZ 2.8Å; E36-K39 WeakPolarHBondContact OE2-CD 3.4Å; E36-K39 VanDerWaalsContact OE2-CE 3.28Å; E36-K39 WeakPolarHBondContact OE2-CE 3.14Å; E36-K39 IonicContact OE2-NZ 3.73Å; E36-K39 PolarHBondContact OE2-NZ 3.29Å |
| 37 | M | 86.1 | Confident | 90.3 | Very high | 153 Ų | 153 | 57.9 Ų | 57.9 | 75% | 0.754 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.6 | 178 | 71.5 | -178.3 | -170.1 | 0 | 0 | 114 | Q35 K39 | Q35-M37 HydrophobicContact CB-CG 4.17Å; Q35-M37 PolarHBondContact O-N 2.84Å; Q35-M37 VanDerWaalsContact O-N 3.15Å; M37-K39 VanDerWaalsContact C-N 3.32Å |
| 38 | E | 85.7 | Confident | 90.3 | Very high | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -76.7 | -23 | 177.5 | -65.3 | 170.5 | -168.3 | 0 | 0 | 112 | P7 Q31 Y33 S34 Q35 E36 L40 | P7-E38 HydrophobicContact CG-CB 4.1Å; P7-E38 HydrophobicContact CG-CG 4.36Å; Q31-E38 PolarHBondContact NE2-O 3.16Å; Y33-E38 VanDerWaalsContact CA-OE2 3.31Å; Y33-E38 WeakPolarHBondContact CA-OE2 3.21Å; S34-E38 PolarHBondContact N-OE2 3.44Å; S34-E38 PolarHBondContact OG-OE1 2.96Å; Q35-E38 HydrophobicContact CB-CG 4.37Å; Q35-E38 WeakPolarHBondContact O-CB 3.47Å; Q35-E38 PolarHBondContact O-N 3.36Å; E36-E38 PolarHBondContact O-N 2.61Å; E38-L40 PolarHBondContact O-N 3.42Å |
| 39 | K | 90.9 | Very high | 90.3 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | -57.9 | 123.6 | -177.5 | -71.7 | -176.1 | 177.1 | 166.6 | 0 | 109.9 | Y33 E36 M37 Y49 | Y33-K39 HydrophobicContact CD1-CG 4.33Å; Y33-K39 HydrophobicContact CD2-CG 4.23Å; Y33-K39 HydrophobicContact CG-CG 4.04Å; Y33-K39 VanDerWaalsContact CZ-NZ 3.32Å; Y33-K39 WeakPolarHBondContact OH-CE 3.39Å; Y33-K39 PolarHBondContact OH-NZ 3.42Å; Y33-K39 VanDerWaalsContact OH-NZ 3.08Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.37Å; E36-K39 WeakPolarHBondContact OE1-CE 3.29Å; E36-K39 IonicContact OE1-NZ 3.61Å; E36-K39 PolarHBondContact OE1-NZ 2.8Å; E36-K39 WeakPolarHBondContact OE2-CD 3.4Å; E36-K39 VanDerWaalsContact OE2-CE 3.28Å; E36-K39 WeakPolarHBondContact OE2-CE 3.14Å; E36-K39 IonicContact OE2-NZ 3.73Å; E36-K39 PolarHBondContact OE2-NZ 3.29Å; M37-K39 VanDerWaalsContact C-N 3.32Å; K39-Y49 HydrophobicContact CB-CD1 4.31Å; K39-Y49 HydrophobicContact CB-CE1 3.91Å; K39-Y49 HydrophobicContact CD-CD1 3.99Å; K39-Y49 HydrophobicContact CD-CE1 4.19Å; K39-Y49 HydrophobicContact CD-CG 4.17Å; K39-Y49 HydrophobicContact CG-CD1 3.82Å; K39-Y49 HydrophobicContact CG-CE1 3.94Å; K39-Y49 HydrophobicContact CG-CG 4.48Å | ||
| 40 | L | 91.1 | Very high | 90.3 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -96.9 | 149.7 | 170 | -60.5 | 177.7 | 0 | 0 | 0 | 108.6 | P7 V10 K11 E38 F47 Y49 | P7-L40 HydrophobicContact CB-CD1 4.17Å; P7-L40 HydrophobicContact CB-CG 4.45Å; P7-L40 WeakPolarHBondContact O-CD1 3.38Å; V10-L40 HydrophobicContact CB-CD1 3.84Å; V10-L40 HydrophobicContact CG1-CD1 3.85Å; K11-L40 HydrophobicContact CD-CD1 4.42Å; K11-L40 HydrophobicContact CG-CD1 3.65Å; E38-L40 PolarHBondContact O-N 3.42Å; L40-F47 HydrophobicContact CB-CE1 4.07Å; L40-F47 HydrophobicContact CB-CZ 4.36Å; L40-F47 WeakPolarHBondContact O-CD1 3.09Å; L40-Y49 WeakPolarHBondContact O-CE1 3.47Å; L40-Y49 PolarHBondContact O-OH 3.11Å | ||
| 41 | S | 90.7 | Very high | 90.1 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | trans | -133.6 | 147.9 | 169.2 | 57.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 42 | E | 85.7 | Confident | 89.9 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | trans | -145.4 | 136.5 | 178 | -178.6 | 75.3 | -109.8 | 0 | 0 | 107.8 | L14 R18 N44 V45 F47 | L14-E42 HydrophobicContact CD2-CB 4.22Å; L14-E42 HydrophobicContact CD2-CG 4.39Å; R18-E42 IonicContact CZ-OE2 2.67Å; R18-E42 IonicContact NE-OE2 2.94Å; R18-E42 IonicContact NH2-OE2 3.46Å; R18-E42 PolarHBondContact NH2-OE2 3Å; E42-N44 PolarHBondContact O-N 3.17Å; E42-V45 HydrophobicContact CB-CB 4.42Å; E42-V45 HydrophobicContact CG-CG2 4.25Å; E42-V45 PolarHBondContact O-N 3.02Å; E42-F47 HydrophobicContact CB-CE2 3.86Å; E42-F47 HydrophobicContact CB-CZ 4.2Å | ||
| 43 | N | 83.7 | Confident | 89.6 | Confident | 136 Ų | 136 | 67.1 Ų | 67.1 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 132.3 | 176.5 | -70.1 | -22.2 | 0 | 0 | 0 | 109.5 | V45 | N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 3.04Å |
| 44 | N | 83.1 | Confident | 89 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 65% | 0.647 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 19 | 179.9 | -42.8 | -64.8 | 0 | 0 | 0 | 115.5 | R21 E42 | R21-N44 WeakPolarHBondContact CD-O 3.26Å; R21-N44 PolarHBondContact NE-O 2.7Å; R21-N44 PolarHBondContact NH1-O 2.82Å; E42-N44 PolarHBondContact O-N 3.17Å |
| 45 | V | 89.2 | Confident | 88.3 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 9% | 0.085 | 37% | 0.367 | C | S | . | . | trans | -123 | 127.3 | 164.4 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | L14 R18 L29 E42 N43 F47 | L14-V45 HydrophobicContact CD2-CG1 4.43Å; L14-V45 HydrophobicContact CD2-CG2 4.31Å; R18-V45 HydrophobicContact CG-CG2 4.22Å; L29-V45 HydrophobicContact CD1-CG1 3.6Å; L29-V45 HydrophobicContact CG-CG1 3.98Å; E42-V45 HydrophobicContact CB-CB 4.42Å; E42-V45 HydrophobicContact CG-CG2 4.25Å; E42-V45 PolarHBondContact O-N 3.02Å; N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 3.04Å; V45-F47 HydrophobicContact CB-CE2 4.04Å; V45-F47 HydrophobicContact CG1-CE2 4.17Å; V45-F47 WeakPolarHBondContact O-CD2 3.27Å | ||
| 46 | E | 93.2 | Very high | 87.7 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.7 | 176 | -176.4 | -174.9 | -165.3 | 0 | 0 | 108.8 | S28 L29 | S28-E46 CarbonylContact C-O 3.47Å; S28-E46 VanDerWaalsContact CA-O 3.27Å; S28-E46 WeakPolarHBondContact CA-O 3.42Å; S28-E46 PolarHBondContact OG-OE2 3.35Å; L29-E46 PolarHBondContact N-O 2.89Å |
| 47 | F | 95.2 | Very high | 87 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.8 | 173.4 | -75.3 | -103.6 | 0 | 0 | 0 | 109.2 | V10 L14 L29 Q31 L40 E42 V45 Y49 | V10-F47 HydrophobicContact CG1-CE1 3.92Å; L14-F47 HydrophobicContact CD2-CZ 3.98Å; L29-F47 HydrophobicContact CB-CD1 4.24Å; L29-F47 HydrophobicContact CB-CE1 4.37Å; L29-F47 HydrophobicContact CD1-CE1 4.16Å; L29-F47 HydrophobicContact CD1-CZ 4.12Å; L29-F47 WeakPolarHBondContact O-CA 3.37Å; Q31-F47 HydrophobicContact CB-CD1 4.16Å; L40-F47 HydrophobicContact CB-CE1 4.07Å; L40-F47 HydrophobicContact CB-CZ 4.36Å; L40-F47 WeakPolarHBondContact O-CD1 3.09Å; E42-F47 HydrophobicContact CB-CE2 3.86Å; E42-F47 HydrophobicContact CB-CZ 4.2Å; V45-F47 HydrophobicContact CB-CE2 4.04Å; V45-F47 HydrophobicContact CG1-CE2 4.17Å; V45-F47 WeakPolarHBondContact O-CD2 3.27Å; F47-Y49 HydrophobicContact CB-CD1 4.3Å; F47-Y49 HydrophobicContact CB-CD2 4.43Å; F47-Y49 HydrophobicContact CB-CE1 3.67Å; F47-Y49 HydrophobicContact CB-CE2 3.83Å; F47-Y49 VanDerWaalsContact CB-CZ 3.41Å; F47-Y49 HydrophobicContact CD1-CE1 4.06Å; F47-Y49 HydrophobicContact CG-CE1 4.13Å |
| 48 | I | 95.1 | Very high | 86.3 | Confident | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 104.4 | 167.3 | -59 | 171.7 | 0 | 0 | 0 | 105.6 | L29 A30 Q31 L50 F100 W109 | L29-I48 PolarHBondContact O-N 3.42Å; A30-I48 CarbonylContact C-O 3.54Å; A30-I48 WeakPolarHBondContact CA-O 3.4Å; Q31-I48 PolarHBondContact N-O 3.35Å; I48-L50 HydrophobicContact CG2-CD2 4.08Å; I48-L50 HydrophobicContact CG2-CG 4.38Å; I48-F100 HydrophobicContact CD1-CD2 4.12Å; I48-F100 HydrophobicContact CD1-CE2 4.32Å; I48-F100 HydrophobicContact CG2-CB 4.37Å; I48-F100 HydrophobicContact CG2-CD2 3.86Å; I48-F100 HydrophobicContact CG2-CG 4.3Å; I48-W109 HydrophobicContact CD1-CH2 3.77Å; I48-W109 HydrophobicContact CD1-CZ2 3.95Å |
| 49 | Y | 95 | Very high | 85.8 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.9 | 180 | -59.3 | -68 | 0 | 0 | 0 | 109.9 | Q31 K39 L40 F47 | Q31-Y49 HydrophobicContact CB-CD1 4.33Å; Q31-Y49 WeakPolarHBondContact O-CA 3.17Å; K39-Y49 HydrophobicContact CB-CD1 4.31Å; K39-Y49 HydrophobicContact CB-CE1 3.91Å; K39-Y49 HydrophobicContact CD-CD1 3.99Å; K39-Y49 HydrophobicContact CD-CE1 4.19Å; K39-Y49 HydrophobicContact CD-CG 4.17Å; K39-Y49 HydrophobicContact CG-CD1 3.82Å; K39-Y49 HydrophobicContact CG-CE1 3.94Å; K39-Y49 HydrophobicContact CG-CG 4.48Å; L40-Y49 WeakPolarHBondContact O-CE1 3.47Å; L40-Y49 PolarHBondContact O-OH 3.11Å; F47-Y49 HydrophobicContact CB-CD1 4.3Å; F47-Y49 HydrophobicContact CB-CD2 4.43Å; F47-Y49 HydrophobicContact CB-CE1 3.67Å; F47-Y49 HydrophobicContact CB-CE2 3.83Å; F47-Y49 VanDerWaalsContact CB-CZ 3.41Å; F47-Y49 HydrophobicContact CD1-CE1 4.06Å; F47-Y49 HydrophobicContact CG-CE1 4.13Å |
| 50 | L | 94.3 | Very high | 85.2 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.9 | -179.6 | -60.2 | 171.1 | 0 | 0 | 0 | 108.7 | A30 Q31 Y32 Y33 I48 N97 F100 | A30-L50 HydrophobicContact CB-CD1 3.99Å; Q31-L50 PolarHBondContact O-N 3.14Å; Y32-L50 VanDerWaalsContact CA-O 3.32Å; Y32-L50 WeakPolarHBondContact CA-O 3.19Å; Y32-L50 HydrophobicContact CD1-CB 3.67Å; Y32-L50 HydrophobicContact CD1-CD1 4.08Å; Y32-L50 HydrophobicContact CD2-CD1 4.22Å; Y32-L50 HydrophobicContact CE1-CB 3.86Å; Y32-L50 HydrophobicContact CE1-CD1 3.55Å; Y32-L50 HydrophobicContact CE1-CG 4.35Å; Y32-L50 HydrophobicContact CE2-CD1 3.66Å; Y32-L50 HydrophobicContact CG-CB 4.17Å; Y32-L50 HydrophobicContact CG-CD1 4.42Å; Y33-L50 VanDerWaalsContact CD1-O 3.27Å; Y33-L50 WeakPolarHBondContact CD1-O 3.41Å; Y33-L50 PolarHBondContact N-O 3.21Å; I48-L50 HydrophobicContact CG2-CD2 4.08Å; I48-L50 HydrophobicContact CG2-CG 4.38Å; L50-N97 VanDerWaalsContact CA-OD1 3.28Å; L50-N97 WeakPolarHBondContact CA-OD1 3.37Å; L50-N97 HydrophobicContact CD2-CB 4.09Å; L50-N97 WeakPolarHBondContact CD2-OD1 3.43Å; L50-F100 HydrophobicContact CD1-CD1 3.57Å; L50-F100 HydrophobicContact CD1-CE1 3.58Å; L50-F100 HydrophobicContact CD1-CG 4.12Å; L50-F100 HydrophobicContact CD1-CZ 4.14Å; L50-F100 HydrophobicContact CD2-CB 3.66Å; L50-F100 HydrophobicContact CD2-CD1 3.76Å; L50-F100 HydrophobicContact CD2-CG 3.73Å; L50-F100 HydrophobicContact CG-CD1 4.34Å |
| 51 | S | 91.4 | Very high | 84.7 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 138.6 | 178 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | D94 N97 | S51-D94 PolarHBondContact OG-OD2 3.08Å; S51-N97 PolarHBondContact N-OD1 3.09Å; S51-N97 PolarHBondContact O-ND2 2.74Å |
| 52 | T | 90.1 | Very high | 84.2 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | trans | -131.5 | 148.3 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | T5 Y32 Y33 I87 | T5-T52 VanDerWaalsContact CG2-OG1 3.26Å; T5-T52 WeakPolarHBondContact CG2-OG1 3.43Å; Y32-T52 HydrophobicContact CD1-CG2 3.51Å; Y32-T52 HydrophobicContact CG-CG2 4.18Å; Y33-T52 VanDerWaalsContact C-OG1 3.22Å; Y33-T52 PolarHBondContact O-N 3.03Å; Y33-T52 PolarHBondContact O-OG1 3.32Å; T52-I87 HydrophobicContact CG2-CG2 3.63Å | ||
| 53 | Y | 86.1 | Confident | 84 | Confident | 115 Ų | 115 | 66 Ų | 66 | 45% | 0.451 | 33% | 0.331 | S | S | . | . | trans | -143.8 | 157.4 | 174.3 | 54.7 | -86.7 | 0 | 0 | 0 | 108.3 | L90 D94 | Y53-L90 HydrophobicContact CD2-CB 4.43Å; Y53-L90 HydrophobicContact CD2-CD1 3.94Å; Y53-L90 HydrophobicContact CE2-CB 3.93Å; Y53-L90 HydrophobicContact CE2-CD1 3.93Å; Y53-L90 HydrophobicContact CE2-CD2 3.84Å; Y53-L90 HydrophobicContact CE2-CG 4.11Å; Y53-L90 VanDerWaalsContact O-CD1 3.24Å; Y53-L90 WeakPolarHBondContact O-CD1 3.38Å; Y53-D94 HydrophobicContact CE1-CB 4.17Å | ||
| 54 | G | 79.8 | Confident | 84 | Confident | 51 Ų | 51 | 61.8 Ų | 61.8 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 138.6 | -172.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D56 | G54-D56 PolarHBondContact O-N 3.46Š|
| 55 | E | 73.6 | Confident | 84.1 | Confident | 127 Ų | 127 | 56.6 Ų | 56.6 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | trans | -67 | 124.7 | 171.3 | -70.7 | -176.3 | 171 | 0 | 0 | 109.8 | F57 W82 | E55-F57 PolarHBondContact O-N 3.4Å; E55-W82 WeakPolarHBondContact OE2-CZ3 3.02Å | ||
| 56 | D | 72.8 | Confident | 84 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | trans | -69 | 127.8 | 168.7 | -169.6 | -4.7 | 0 | 0 | 0 | 108.7 | G54 M58 | G54-D56 PolarHBondContact O-N 3.46Å; D56-M58 PolarHBondContact O-N 3.04Å; D56-M58 PolarHBondContact OD1-N 3.46Å | ||
| 57 | F | 73.7 | Confident | 83.8 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.9 | 176 | 62.3 | -92.6 | 0 | 0 | 0 | 113.1 | V6 E55 A83 I87 F118 | V6-F57 HydrophobicContact CG2-CE2 4.45Å; V6-F57 HydrophobicContact CG2-CZ 3.89Å; E55-F57 PolarHBondContact O-N 3.4Å; F57-A83 HydrophobicContact CB-CB 3.84Å; F57-I87 HydrophobicContact CD1-CD1 4.25Å; F57-F118 HydrophobicContact CE2-CD2 4.18Å; F57-F118 HydrophobicContact CE2-CE2 4.46Å; F57-F118 HydrophobicContact CE2-CG 4.27Å; F57-F118 HydrophobicContact CZ-CB 4.31Å; F57-F118 HydrophobicContact CZ-CD2 4.45Å; F57-F118 HydrophobicContact CZ-CG 4.28Å |
| 58 | M | 71.5 | Confident | 83.4 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 21% | 0.207 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 51 | 170.3 | -62.9 | -173.5 | -65.6 | 0 | 0 | 110.9 | V6 D56 F62 F275 | V6-M58 HydrophobicContact CG2-CE 4.29Å; D56-M58 PolarHBondContact O-N 3.04Å; D56-M58 PolarHBondContact OD1-N 3.46Å; M58-F62 HydrophobicContact CB-CD1 4.35Å; M58-F62 HydrophobicContact CG-CD1 4.35Å; M58-F62 HydrophobicContact CG-CE1 4.38Å; M58-F275 HydrophobicContact CE-CE1 4.08Å; M58-F275 HydrophobicContact SD-CD1 3.97Å; M58-F275 HydrophobicContact SD-CE1 3.67Å |
| 59 | D | 74.9 | Confident | 82.8 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | trans | -77.3 | 177.4 | 178.7 | 77.5 | -12.8 | 0 | 0 | 0 | 113.3 | K61 F62 D63 | D59-K61 PolarHBondContact O-N 3.34Å; D59-K61 VanDerWaalsContact O-N 3.13Å; D59-K61 WeakPolarHBondContact OD1-CB 3.48Å; D59-K61 PolarHBondContact OD1-N 3.41Å; D59-K61 VanDerWaalsContact OD1-N 3.13Å; D59-F62 WeakPolarHBondContact O-CA 3.44Å; D59-F62 WeakPolarHBondContact O-CB 3.26Å; D59-F62 PolarHBondContact O-N 3.47Å; D59-F62 PolarHBondContact OD1-N 2.65Å; D59-D63 PolarHBondContact O-N 2.79Å | ||
| 60 | E | 78.6 | Confident | 81.7 | Confident | 152 Ų | 152 | 59 Ų | 59 | 71% | 0.71 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.6 | -29.3 | 178.1 | -168.4 | -171.4 | 165.4 | 0 | 0 | 112.6 | N64 | E60-N64 WeakPolarHBondContact O-CB 3.39Å; E60-N64 PolarHBondContact O-N 3.19Å; E60-N64 PolarHBondContact O-ND2 3.45Å |
| 61 | K | 80.8 | Confident | 80.2 | Confident | 140 Ų | 140 | 62.2 Ų | 62.2 | 61% | 0.609 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.6 | -43.4 | 176.4 | -64.2 | 175.9 | -178.1 | 167.7 | 0 | 110.6 | D59 N64 S65 E76 | D59-K61 PolarHBondContact O-N 3.34Å; D59-K61 VanDerWaalsContact O-N 3.13Å; D59-K61 WeakPolarHBondContact OD1-CB 3.48Å; D59-K61 PolarHBondContact OD1-N 3.41Å; D59-K61 VanDerWaalsContact OD1-N 3.13Å; K61-N64 PolarHBondContact O-N 3.45Å; K61-S65 WeakPolarHBondContact O-CB 3.17Å; K61-S65 PolarHBondContact O-N 2.93Å; K61-E76 HydrophobicContact CB-CG 4.23Å |
| 62 | F | 80.9 | Confident | 78.6 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.4 | -51.4 | 172 | -178.3 | -95.7 | 0 | 0 | 0 | 110.4 | M58 D59 N64 S65 V66 E76 F363 | M58-F62 HydrophobicContact CB-CD1 4.35Å; M58-F62 HydrophobicContact CG-CD1 4.35Å; M58-F62 HydrophobicContact CG-CE1 4.38Å; D59-F62 WeakPolarHBondContact O-CA 3.44Å; D59-F62 WeakPolarHBondContact O-CB 3.26Å; D59-F62 PolarHBondContact O-N 3.47Å; D59-F62 PolarHBondContact OD1-N 2.65Å; F62-N64 VanDerWaalsContact C-N 3.33Å; F62-N64 PolarHBondContact O-N 3.02Å; F62-S65 WeakPolarHBondContact O-CA 3.41Å; F62-S65 WeakPolarHBondContact O-CB 3.12Å; F62-S65 PolarHBondContact O-N 3.41Å; F62-S65 PolarHBondContact O-OG 2.95Å; F62-V66 HydrophobicContact CD1-CG2 3.83Å; F62-V66 HydrophobicContact CE1-CG2 3.48Å; F62-V66 VanDerWaalsContact CE1-CG2 3.48Å; F62-V66 HydrophobicContact CE2-CG2 4.45Å; F62-V66 HydrophobicContact CG-CG2 4.46Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 VanDerWaalsContact O-CG2 3.31Å; F62-V66 WeakPolarHBondContact O-CG2 3.3Å; F62-V66 PolarHBondContact O-N 2.91Å; F62-E76 HydrophobicContact CD2-CB 4.36Å; F62-F363 HydrophobicContact CE1-CD2 4.37Å; F62-F363 HydrophobicContact CE1-CE2 4.12Å; F62-F363 HydrophobicContact CE1-CZ 4.38Å; F62-F363 AromaticContact CZ-CD2 3.77Å; F62-F363 HydrophobicContact CZ-CD2 3.77Å; F62-F363 AromaticContact CZ-CE2 3.83Å; F62-F363 HydrophobicContact CZ-CE2 3.83Å; F62-F363 HydrophobicContact CZ-CG 4.43Å |
| 63 | D | 82.2 | Confident | 77.6 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 178.7 | -77.3 | -15.2 | 0 | 0 | 0 | 113 | D59 S65 V66 A280 | D59-D63 PolarHBondContact O-N 2.79Å; D63-S65 VanDerWaalsContact C-N 3.34Å; D63-S65 PolarHBondContact O-N 3.45Å; D63-V66 WeakPolarHBondContact O-CB 3.46Å; D63-V66 PolarHBondContact O-N 3.17Å; D63-A280 HydrophobicContact CB-CB 4.15Å |
| 64 | N | 83.5 | Confident | 76.8 | Confident | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 174.3 | -84.1 | -55.9 | 0 | 0 | 0 | 112.1 | E60 K61 F62 V66 R68 | E60-N64 WeakPolarHBondContact O-CB 3.39Å; E60-N64 PolarHBondContact O-N 3.19Å; E60-N64 PolarHBondContact O-ND2 3.45Å; K61-N64 PolarHBondContact O-N 3.45Å; F62-N64 VanDerWaalsContact C-N 3.33Å; F62-N64 PolarHBondContact O-N 3.02Å; N64-V66 VanDerWaalsContact C-N 3.33Å; N64-R68 WeakPolarHBondContact O-CB 3.31Å; N64-R68 WeakPolarHBondContact O-CG 3.13Å; N64-R68 PolarHBondContact O-N 3.17Å |
| 65 | S | 85 | Confident | 76.8 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.9 | 82.5 | 0 | 0 | 0 | 0 | 111.7 | K61 F62 D63 W67 R68 V69 | K61-S65 WeakPolarHBondContact O-CB 3.17Å; K61-S65 PolarHBondContact O-N 2.93Å; F62-S65 WeakPolarHBondContact O-CA 3.41Å; F62-S65 WeakPolarHBondContact O-CB 3.12Å; F62-S65 PolarHBondContact O-N 3.41Å; F62-S65 PolarHBondContact O-OG 2.95Å; D63-S65 VanDerWaalsContact C-N 3.34Å; D63-S65 PolarHBondContact O-N 3.45Å; S65-W67 VanDerWaalsContact C-N 3.26Å; S65-W67 PolarHBondContact O-N 3.23Å; S65-R68 PolarHBondContact O-N 3.07Å; S65-V69 WeakPolarHBondContact O-CB 3.35Å; S65-V69 PolarHBondContact O-N 2.97Å |
| 66 | V | 87.5 | Confident | 77.1 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.9 | -40.1 | -179.4 | 161.1 | 0 | 0 | 0 | 0 | 111.6 | F62 D63 N64 L362 F363 K384 | F62-V66 HydrophobicContact CD1-CG2 3.83Å; F62-V66 HydrophobicContact CE1-CG2 3.48Å; F62-V66 VanDerWaalsContact CE1-CG2 3.48Å; F62-V66 HydrophobicContact CE2-CG2 4.45Å; F62-V66 HydrophobicContact CG-CG2 4.46Å; F62-V66 HydrophobicContact CZ-CG2 3.83Å; F62-V66 VanDerWaalsContact O-CG2 3.31Å; F62-V66 WeakPolarHBondContact O-CG2 3.3Å; F62-V66 PolarHBondContact O-N 2.91Å; D63-V66 WeakPolarHBondContact O-CB 3.46Å; D63-V66 PolarHBondContact O-N 3.17Å; N64-V66 VanDerWaalsContact C-N 3.33Å; V66-L362 HydrophobicContact CG1-CB 3.81Å; V66-L362 HydrophobicContact CG1-CD1 4.43Å; V66-F363 HydrophobicContact CB-CD1 4.2Å; V66-F363 HydrophobicContact CG1-CD1 3.47Å; V66-F363 VanDerWaalsContact CG1-CD1 3.47Å; V66-F363 HydrophobicContact CG1-CE1 3.94Å; V66-F363 HydrophobicContact CG1-CG 4.32Å; V66-F363 HydrophobicContact CG2-CB 4.1Å; V66-F363 HydrophobicContact CG2-CD1 3.68Å; V66-F363 HydrophobicContact CG2-CD2 4.46Å; V66-F363 HydrophobicContact CG2-CE1 4.14Å; V66-F363 HydrophobicContact CG2-CG 3.85Å; V66-K384 WeakPolarHBondContact O-CD 3.48Å; V66-K384 WeakPolarHBondContact O-CE 3.49Å; V66-K384 PolarHBondContact O-NZ 2.79Å; V66-K384 VanDerWaalsContact O-NZ 3.16Å |
| 67 | W | 88.2 | Confident | 77.4 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.1 | -30.6 | 179.8 | -72 | 104.1 | 0 | 0 | 0 | 114.1 | S65 F272 A276 D277 W278 A281 T285 L362 K384 | S65-W67 VanDerWaalsContact C-N 3.26Å; S65-W67 PolarHBondContact O-N 3.23Å; W67-F272 AromaticContact CH2-CD2 3.66Å; W67-F272 HydrophobicContact CH2-CD2 3.66Å; W67-F272 AromaticContact CH2-CE2 3.75Å; W67-F272 HydrophobicContact CH2-CE2 3.75Å; W67-F272 HydrophobicContact CZ2-CD2 4.49Å; W67-F272 HydrophobicContact CZ3-CD2 4.32Å; W67-F272 AromaticContact CZ3-CE2 4Å; W67-F272 HydrophobicContact CZ3-CE2 4Å; W67-A276 HydrophobicContact CZ2-CB 4.12Å; W67-D277 PolarHBondContact NE1-O 3.35Å; W67-W278 HydrophobicContact CH2-CD2 4.02Å; W67-W278 AromaticContact CH2-CE3 3.88Å; W67-W278 HydrophobicContact CH2-CE3 3.88Å; W67-W278 HydrophobicContact CH2-CH2 4.07Å; W67-W278 HydrophobicContact CH2-CZ2 4.19Å; W67-W278 AromaticContact CH2-CZ3 3.91Å; W67-W278 HydrophobicContact CH2-CZ3 3.91Å; W67-W278 HydrophobicContact CZ2-CD2 4.35Å; W67-W278 HydrophobicContact CZ2-CE3 4.41Å; W67-W278 HydrophobicContact CZ3-CH2 4.47Å; W67-W278 HydrophobicContact CZ3-CZ3 4.26Å; W67-A281 HydrophobicContact CD2-CB 3.76Å; W67-A281 HydrophobicContact CE3-CB 3.95Å; W67-A281 HydrophobicContact CG-CB 4.31Å; W67-A281 HydrophobicContact CH2-CB 4Å; W67-A281 HydrophobicContact CZ2-CB 3.84Å; W67-A281 HydrophobicContact CZ3-CB 4.06Å; W67-T285 HydrophobicContact CZ3-CG2 4.3Å; W67-L362 HydrophobicContact CD2-CD2 4.44Å; W67-L362 HydrophobicContact CE3-CD2 3.85Å; W67-L362 HydrophobicContact CH2-CD1 4.31Å; W67-L362 HydrophobicContact CH2-CD2 4.38Å; W67-L362 HydrophobicContact CZ2-CD1 4.33Å; W67-L362 HydrophobicContact CZ3-CD2 3.82Å; W67-K384 WeakPolarHBondContact O-CD 3.31Å; W67-K384 WeakPolarHBondContact O-CE 3.36Å |
| 68 | R | 86.8 | Confident | 77.9 | Confident | 151 Ų | 151 | 62.5 Ų | 62.5 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -101.6 | -22.1 | -165.7 | -63.7 | 174.1 | -175.3 | -94.1 | 1 | 114.5 | N64 S65 P282 T385 | N64-R68 WeakPolarHBondContact O-CB 3.31Å; N64-R68 WeakPolarHBondContact O-CG 3.13Å; N64-R68 PolarHBondContact O-N 3.17Å; S65-R68 PolarHBondContact O-N 3.07Å; R68-P282 HydrophobicContact CG-CG 4.2Å; R68-T385 WeakPolarHBondContact O-CG2 3.38Å |
| 69 | V | 81.8 | Confident | 78.5 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | trans | -99.9 | 120.7 | -174.3 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | S65 A72 P74 K384 | S65-V69 WeakPolarHBondContact O-CB 3.35Å; S65-V69 PolarHBondContact O-N 2.97Å; V69-A72 HydrophobicContact CG1-CB 4.37Å; V69-A72 VanDerWaalsContact CG1-O 3.22Å; V69-A72 WeakPolarHBondContact CG1-O 3.36Å; V69-P74 HydrophobicContact CB-CG 4.32Å; V69-P74 HydrophobicContact CG1-CG 4.25Å; V69-P74 HydrophobicContact CG2-CG 4.48Å; V69-K384 WeakPolarHBondContact O-CE 3.3Å; V69-K384 PolarHBondContact O-NZ 3.49Å | ||
| 70 | K | 73.1 | Confident | 79 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -76.5 | -52.4 | -177.6 | -171.2 | -172 | 170.2 | 155.8 | 0 | 113.7 | D383 T385 | K70-D383 WeakPolarHBondContact CD-OD2 3.39Å; K70-D383 WeakPolarHBondContact CE-OD2 3.15Å; K70-D383 IonicContact NZ-OD2 3.8Å; K70-D383 PolarHBondContact NZ-OD2 3.3Å; K70-T385 HydrophobicContact CB-CG2 3.81Å |
| 71 | T | 61.7 | Low | 79.3 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -133 | -38.5 | -159.3 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | I73 | T71-I73 PolarHBondContact O-N 3.44Š|
| 72 | A | 58.9 | Low | 79.7 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -70.3 | 132.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V69 P74 | V69-A72 HydrophobicContact CG1-CB 4.37Å; V69-A72 VanDerWaalsContact CG1-O 3.22Å; V69-A72 WeakPolarHBondContact CG1-O 3.36Å; A72-P74 WeakPolarHBondContact O-CD 3.18Å; A72-P74 VanDerWaalsContact O-N 3.08Å |
| 73 | I | 69 | Low | 80 | Confident | 63 Ų | 63 | 49 Ų | 49 | 32% | 0.323 | 24% | 0.242 | S | C | . | . | trans | -62.6 | 113.2 | 170.3 | -59.2 | 169.6 | 0 | 0 | 0 | 106.7 | T71 F188 | T71-I73 PolarHBondContact O-N 3.44Å; I73-F188 HydrophobicContact CB-CD2 4.24Å; I73-F188 HydrophobicContact CD1-CB 3.41Å; I73-F188 VanDerWaalsContact CD1-CB 3.41Å; I73-F188 HydrophobicContact CD1-CD1 3.85Å; I73-F188 HydrophobicContact CD1-CD2 3.98Å; I73-F188 HydrophobicContact CD1-CG 3.46Å; I73-F188 VanDerWaalsContact CD1-CG 3.46Å; I73-F188 HydrophobicContact CG2-CD2 3.38Å; I73-F188 HydrophobicContact CG2-CE1 4.46Å; I73-F188 HydrophobicContact CG2-CE2 3.31Å; I73-F188 HydrophobicContact CG2-CG 4.01Å; I73-F188 HydrophobicContact CG2-CZ 3.88Å | ||
| 74 | P | 69.5 | Low | 80.4 | Confident | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.156 | 23% | 0.231 | C | C | . | . | trans | -59 | 149.2 | -174.6 | -21.7 | 31.5 | 0 | 0 | 0 | 110.9 | V69 A72 E76 S77 L78 | V69-P74 HydrophobicContact CB-CG 4.32Å; V69-P74 HydrophobicContact CG1-CG 4.25Å; V69-P74 HydrophobicContact CG2-CG 4.48Å; A72-P74 WeakPolarHBondContact O-CD 3.18Å; A72-P74 VanDerWaalsContact O-N 3.08Å; P74-E76 HydrophobicContact CB-CB 4.32Å; P74-E76 WeakPolarHBondContact CB-OE2 3.48Å; P74-E76 PolarHBondContact O-N 3.18Å; P74-E76 VanDerWaalsContact O-N 3.16Å; P74-S77 WeakPolarHBondContact CD-OG 3.02Å; P74-S77 WeakPolarHBondContact O-CA 3.28Å; P74-S77 WeakPolarHBondContact O-CB 3.22Å; P74-S77 PolarHBondContact O-N 3.41Å; P74-L78 PolarHBondContact O-N 3.22Å | ||
| 75 | W | 79.9 | Confident | 80.7 | Confident | 168 Ų | 168 | 44.8 Ų | 44.8 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -53 | -36.1 | 172.4 | 169.4 | -105.7 | 0 | 0 | 0 | 111.1 | S77 L78 M79 | W75-S77 VanDerWaalsContact C-N 3.3Å; W75-S77 PolarHBondContact O-N 3.11Å; W75-L78 HydrophobicContact CE3-CD2 4.07Å; W75-L78 HydrophobicContact CZ3-CD2 3.81Å; W75-L78 WeakPolarHBondContact O-CB 3.4Å; W75-L78 PolarHBondContact O-N 2.96Å; W75-L78 VanDerWaalsContact O-N 3.07Å; W75-M79 HydrophobicContact CD2-CG 4.17Å; W75-M79 HydrophobicContact CG-CG 4.48Å; W75-M79 HydrophobicContact CH2-SD 3.94Å; W75-M79 HydrophobicContact CZ2-CG 3.79Å; W75-M79 HydrophobicContact CZ2-SD 3.42Å; W75-M79 WeakPolarHBondContact CZ2-SD 3.37Å; W75-M79 WeakPolarHBondContact O-CG 3.21Å; W75-M79 PolarHBondContact O-N 3.05Å |
| 76 | E | 79.8 | Confident | 80.9 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 175 | -60.9 | 73.7 | -163.8 | 0 | 0 | 111.6 | K61 F62 P74 L78 M79 S80 | K61-E76 HydrophobicContact CB-CG 4.23Å; F62-E76 HydrophobicContact CD2-CB 4.36Å; P74-E76 HydrophobicContact CB-CB 4.32Å; P74-E76 WeakPolarHBondContact CB-OE2 3.48Å; P74-E76 PolarHBondContact O-N 3.18Å; P74-E76 VanDerWaalsContact O-N 3.16Å; E76-L78 VanDerWaalsContact C-N 3.34Å; E76-L78 PolarHBondContact O-N 3.01Å; E76-M79 PolarHBondContact O-N 2.7Å; E76-S80 PolarHBondContact O-N 3.47Å; E76-S80 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 78.4 | Confident | 81.1 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 175.3 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | P74 W75 S80 | P74-S77 WeakPolarHBondContact CD-OG 3.02Å; P74-S77 WeakPolarHBondContact O-CA 3.28Å; P74-S77 WeakPolarHBondContact O-CB 3.22Å; P74-S77 PolarHBondContact O-N 3.41Å; W75-S77 VanDerWaalsContact C-N 3.3Å; W75-S77 PolarHBondContact O-N 3.11Å; S77-S80 PolarHBondContact O-OG 2.78Å |
| 78 | L | 83.4 | Confident | 81.2 | Confident | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 174 | 178 | 61.4 | 0 | 0 | 0 | 111.5 | P74 W75 E76 S80 G81 F188 L191 I192 L195 | P74-L78 PolarHBondContact O-N 3.22Å; W75-L78 HydrophobicContact CE3-CD2 4.07Å; W75-L78 HydrophobicContact CZ3-CD2 3.81Å; W75-L78 WeakPolarHBondContact O-CB 3.4Å; W75-L78 PolarHBondContact O-N 2.96Å; W75-L78 VanDerWaalsContact O-N 3.07Å; E76-L78 VanDerWaalsContact C-N 3.34Å; E76-L78 PolarHBondContact O-N 3.01Å; L78-S80 PolarHBondContact O-N 2.85Å; L78-G81 PolarHBondContact O-N 2.71Å; L78-F188 HydrophobicContact CB-CE2 4.36Å; L78-F188 HydrophobicContact CD1-CD2 4.42Å; L78-L191 HydrophobicContact CD1-CB 3.53Å; L78-L191 HydrophobicContact CD2-CB 4.43Å; L78-L191 HydrophobicContact CD2-CD1 4.44Å; L78-I192 HydrophobicContact CD1-CB 4.04Å; L78-L195 HydrophobicContact CD1-CD1 3.69Å; L78-L195 HydrophobicContact CD2-CD1 4.25Å; L78-L195 HydrophobicContact CG-CD1 3.63Å |
| 79 | M | 85.8 | Confident | 81.3 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -19.5 | 178.5 | -71.1 | -55 | -61 | 0 | 0 | 113.6 | W75 E76 G81 W82 A83 | W75-M79 HydrophobicContact CD2-CG 4.17Å; W75-M79 HydrophobicContact CG-CG 4.48Å; W75-M79 HydrophobicContact CH2-SD 3.94Å; W75-M79 HydrophobicContact CZ2-CG 3.79Å; W75-M79 HydrophobicContact CZ2-SD 3.42Å; W75-M79 WeakPolarHBondContact CZ2-SD 3.37Å; W75-M79 WeakPolarHBondContact O-CG 3.21Å; W75-M79 PolarHBondContact O-N 3.05Å; E76-M79 PolarHBondContact O-N 2.7Å; M79-G81 PolarHBondContact O-N 3.27Å; M79-W82 HydrophobicContact CE-CB 3.8Å; M79-W82 HydrophobicContact CE-CD2 3.88Å; M79-W82 HydrophobicContact CE-CE3 4.05Å; M79-W82 HydrophobicContact CE-CG 3.76Å; M79-W82 WeakPolarHBondContact O-CB 3.28Å; M79-W82 PolarHBondContact O-N 3.06Å; M79-W82 VanDerWaalsContact O-N 3.07Å; M79-W82 HydrophobicContact SD-CB 4.42Å; M79-A83 PolarHBondContact O-N 3.08Å |
| 80 | S | 83.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -32.8 | 172.1 | 72.2 | 0 | 0 | 0 | 0 | 113.5 | E76 S77 L78 A84 F118 | E76-S80 PolarHBondContact O-N 3.47Å; E76-S80 VanDerWaalsContact O-N 3.13Å; S77-S80 PolarHBondContact O-OG 2.78Å; L78-S80 PolarHBondContact O-N 2.85Å; S80-A84 VanDerWaalsContact O-CB 3.23Å; S80-A84 WeakPolarHBondContact O-CB 3.43Å; S80-A84 PolarHBondContact O-N 2.81Å; S80-F118 VanDerWaalsContact OG-CE1 3.22Å; S80-F118 WeakPolarHBondContact OG-CE1 3.01Å |
| 81 | G | 86.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L78 M79 G85 I192 M196 | L78-G81 PolarHBondContact O-N 2.71Å; M79-G81 PolarHBondContact O-N 3.27Å; G81-G85 PolarHBondContact O-N 3.25Å; G81-I192 VanDerWaalsContact CA-CG1 3.48Å; G81-M196 WeakPolarHBondContact O-CA 3.39Å; G81-M196 WeakPolarHBondContact O-CB 3.23Å |
| 82 | W | 88.5 | Confident | 83.9 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 27% | 0.273 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.4 | -50 | 174.2 | -178.7 | 94.4 | 0 | 0 | 0 | 110.9 | E55 M79 G85 E86 L195 | E55-W82 WeakPolarHBondContact OE2-CZ3 3.02Å; M79-W82 HydrophobicContact CE-CB 3.8Å; M79-W82 HydrophobicContact CE-CD2 3.88Å; M79-W82 HydrophobicContact CE-CE3 4.05Å; M79-W82 HydrophobicContact CE-CG 3.76Å; M79-W82 WeakPolarHBondContact O-CB 3.28Å; M79-W82 PolarHBondContact O-N 3.06Å; M79-W82 VanDerWaalsContact O-N 3.07Å; M79-W82 HydrophobicContact SD-CB 4.42Å; W82-G85 PolarHBondContact O-N 3.04Å; W82-E86 HydrophobicContact CH2-CB 4.38Å; W82-E86 HydrophobicContact CH2-CG 4.28Å; W82-E86 HydrophobicContact CZ3-CB 4.3Å; W82-E86 HydrophobicContact CZ3-CG 4.49Å; W82-E86 PolarHBondContact O-N 3.09Å; W82-L195 HydrophobicContact CB-CB 4.24Å |
| 83 | A | 88.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 35 Ų | 35 | 5% | 0.05 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F57 M79 G85 E86 I87 | F57-A83 HydrophobicContact CB-CB 3.84Å; M79-A83 PolarHBondContact O-N 3.08Å; A83-G85 PolarHBondContact O-N 3.16Å; A83-E86 PolarHBondContact O-N 3.11Å; A83-I87 WeakPolarHBondContact O-CB 3.42Å; A83-I87 VanDerWaalsContact O-CG1 3.3Å; A83-I87 WeakPolarHBondContact O-CG1 3.5Å; A83-I87 PolarHBondContact O-N 2.85Å |
| 84 | A | 89.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L4 S80 E86 C88 F118 P120 | L4-A84 HydrophobicContact CD1-CB 4.45Å; S80-A84 VanDerWaalsContact O-CB 3.23Å; S80-A84 WeakPolarHBondContact O-CB 3.43Å; S80-A84 PolarHBondContact O-N 2.81Å; A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 2.89Å; A84-C88 WeakPolarHBondContact O-CB 3.26Å; A84-C88 PolarHBondContact O-N 3.23Å; A84-F118 HydrophobicContact CB-CD1 4.49Å; A84-P120 HydrophobicContact CB-CG 3.86Å; A84-P120 WeakPolarHBondContact O-CG 3.26Å |
| 85 | G | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G81 W82 A83 C88 R89 | G81-G85 PolarHBondContact O-N 3.25Å; W82-G85 PolarHBondContact O-N 3.04Å; A83-G85 PolarHBondContact O-N 3.16Å; G85-C88 PolarHBondContact O-N 3.31Å; G85-R89 PolarHBondContact O-N 3.44Å |
| 86 | E | 89.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -48.6 | 177.6 | 176.8 | 60.8 | 160.8 | 0 | 0 | 112.8 | W82 A83 A84 C88 R89 L90 R199 | W82-E86 HydrophobicContact CH2-CB 4.38Å; W82-E86 HydrophobicContact CH2-CG 4.28Å; W82-E86 HydrophobicContact CZ3-CB 4.3Å; W82-E86 HydrophobicContact CZ3-CG 4.49Å; W82-E86 PolarHBondContact O-N 3.09Å; A83-E86 PolarHBondContact O-N 3.11Å; A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 2.89Å; E86-C88 PolarHBondContact O-N 3.36Å; E86-R89 WeakPolarHBondContact O-CB 3.05Å; E86-R89 PolarHBondContact O-N 2.78Å; E86-R89 IonicContact OE1-CZ 3.72Å; E86-R89 IonicContact OE1-NE 3.79Å; E86-R89 IonicContact OE1-NH2 3.94Å; E86-R89 PolarHBondContact OE1-NH2 2.92Å; E86-R89 IonicContact OE2-CZ 3.31Å; E86-R89 IonicContact OE2-NE 2.76Å; E86-R89 PolarHBondContact OE2-NE 3.01Å; E86-R89 IonicContact OE2-NH2 3.13Å; E86-R89 PolarHBondContact OE2-NH2 3.28Å; E86-L90 HydrophobicContact CG-CD1 3.86Å; E86-L90 HydrophobicContact CG-CG 4.21Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; E86-L90 PolarHBondContact O-N 3.02Å; E86-R199 HydrophobicContact CB-CG 3.74Å; E86-R199 VanDerWaalsContact CD-NE 3.32Å; E86-R199 IonicContact OE1-CZ 3.67Å; E86-R199 IonicContact OE1-NE 3.84Å; E86-R199 IonicContact OE1-NH2 2.71Å; E86-R199 PolarHBondContact OE1-NH2 3.35Å; E86-R199 IonicContact OE2-CZ 2.96Å; E86-R199 IonicContact OE2-NE 2.69Å; E86-R199 PolarHBondContact OE2-NE 3.29Å; E86-R199 IonicContact OE2-NH2 3.8Å; E86-R199 PolarHBondContact OE2-NH2 3.48Å |
| 87 | I | 90.5 | Very high | 88.8 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -40.9 | 176.5 | -71.1 | 166.8 | 0 | 0 | 0 | 109.7 | L4 T52 F57 A83 L90 S91 | L4-I87 HydrophobicContact CD1-CB 4.16Å; L4-I87 HydrophobicContact CD1-CG2 3.9Å; T52-I87 HydrophobicContact CG2-CG2 3.63Å; F57-I87 HydrophobicContact CD1-CD1 4.25Å; A83-I87 WeakPolarHBondContact O-CB 3.42Å; A83-I87 VanDerWaalsContact O-CG1 3.3Å; A83-I87 WeakPolarHBondContact O-CG1 3.5Å; A83-I87 PolarHBondContact O-N 2.85Å; I87-L90 PolarHBondContact O-N 3.32Å; I87-S91 WeakPolarHBondContact O-CB 3.25Å; I87-S91 PolarHBondContact O-N 3.11Å |
| 88 | C | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | A84 G85 E86 L90 S91 W92 P120 C121 I203 | A84-C88 WeakPolarHBondContact O-CB 3.26Å; A84-C88 PolarHBondContact O-N 3.23Å; G85-C88 PolarHBondContact O-N 3.31Å; E86-C88 PolarHBondContact O-N 3.36Å; C88-L90 VanDerWaalsContact C-N 3.33Å; C88-L90 PolarHBondContact O-N 3.28Å; C88-S91 PolarHBondContact O-N 3.47Å; C88-W92 WeakPolarHBondContact O-CB 3.35Å; C88-W92 PolarHBondContact O-N 3.09Å; C88-P120 HydrophobicContact CB-CB 4.19Å; C88-P120 HydrophobicContact CB-CG 3.9Å; C88-C121 WeakPolarHBondContact CA-SG 3.49Å; C88-C121 HydrophobicContact CB-CB 4.2Å; C88-C121 WeakPolarHBondContact CB-SG 3.33Å; C88-C121 WeakPolarHBondContact SG-CA 3.33Å; C88-C121 WeakPolarHBondContact SG-CB 3.48Å; C88-C121 PolarHBondContact SG-N 2.86Å; C88-C121 CovalentContact SG-SG 2.04Å; C88-C121 PolarHBondContact SG-SG 3.08Å; C88-I203 VanDerWaalsContact SG-CD1 3.54Å |
| 89 | R | 89.9 | Confident | 89.9 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 23% | 0.226 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.6 | -171.1 | -165.1 | 68.5 | 80.9 | 0.7 | 111.6 | G85 E86 N93 | G85-R89 PolarHBondContact O-N 3.44Å; E86-R89 WeakPolarHBondContact O-CB 3.05Å; E86-R89 PolarHBondContact O-N 2.78Å; E86-R89 IonicContact OE1-CZ 3.72Å; E86-R89 IonicContact OE1-NE 3.79Å; E86-R89 IonicContact OE1-NH2 3.94Å; E86-R89 PolarHBondContact OE1-NH2 2.92Å; E86-R89 IonicContact OE2-CZ 3.31Å; E86-R89 IonicContact OE2-NE 2.76Å; E86-R89 PolarHBondContact OE2-NE 3.01Å; E86-R89 IonicContact OE2-NH2 3.13Å; E86-R89 PolarHBondContact OE2-NH2 3.28Å; R89-N93 PolarHBondContact O-N 2.03Å; R89-N93 PolarHBondContact O-ND2 2.95Å |
| 90 | L | 90.4 | Very high | 90.2 | Very high | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -48.2 | 176.8 | -69.4 | 176.5 | 0 | 0 | 0 | 111 | Y53 E86 I87 C88 W92 N93 D94 | Y53-L90 HydrophobicContact CD2-CB 4.43Å; Y53-L90 HydrophobicContact CD2-CD1 3.94Å; Y53-L90 HydrophobicContact CE2-CB 3.93Å; Y53-L90 HydrophobicContact CE2-CD1 3.93Å; Y53-L90 HydrophobicContact CE2-CD2 3.84Å; Y53-L90 HydrophobicContact CE2-CG 4.11Å; Y53-L90 VanDerWaalsContact O-CD1 3.24Å; Y53-L90 WeakPolarHBondContact O-CD1 3.38Å; E86-L90 HydrophobicContact CG-CD1 3.86Å; E86-L90 HydrophobicContact CG-CG 4.21Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; E86-L90 PolarHBondContact O-N 3.02Å; I87-L90 PolarHBondContact O-N 3.32Å; C88-L90 VanDerWaalsContact C-N 3.33Å; C88-L90 PolarHBondContact O-N 3.28Å; L90-W92 VanDerWaalsContact C-N 3.28Å; L90-W92 PolarHBondContact O-N 3.37Å; L90-N93 CarbonylContact O-C 3.54Å; L90-N93 PolarHBondContact O-N 3.19Å; L90-D94 PolarHBondContact O-N 3.42Å |
| 91 | S | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.1 | -41.5 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | Y32 I87 C88 N93 D94 N97 Y101 | Y32-S91 WeakPolarHBondContact CE1-OG 3.16Å; I87-S91 WeakPolarHBondContact O-CB 3.25Å; I87-S91 PolarHBondContact O-N 3.11Å; C88-S91 PolarHBondContact O-N 3.47Å; S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.32Å; S91-D94 WeakPolarHBondContact O-CB 3.47Å; S91-D94 PolarHBondContact O-N 2.74Å; S91-N97 WeakPolarHBondContact O-CB 3.24Å; S91-N97 PolarHBondContact O-ND2 2.59Å; S91-N97 PolarHBondContact OG-ND2 3.16Å; S91-N97 VanDerWaalsContact OG-ND2 3.1Å; S91-Y101 VanDerWaalsContact O-CE2 3.3Å; S91-Y101 WeakPolarHBondContact O-CE2 3.46Å; S91-Y101 PolarHBondContact OG-OH 2.91Å |
| 92 | W | 88.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 175.5 | 176.7 | -88.8 | 0 | 0 | 0 | 113.1 | C88 L90 Y101 T105 L125 I203 P204 F205 | C88-W92 WeakPolarHBondContact O-CB 3.35Å; C88-W92 PolarHBondContact O-N 3.09Å; L90-W92 VanDerWaalsContact C-N 3.28Å; L90-W92 PolarHBondContact O-N 3.37Å; W92-Y101 HydrophobicContact CD2-CG 4.42Å; W92-Y101 AromaticContact CE3-CD1 3.4Å; W92-Y101 HydrophobicContact CE3-CD1 3.4Å; W92-Y101 VanDerWaalsContact CE3-CD1 3.4Å; W92-Y101 HydrophobicContact CE3-CD2 4.04Å; W92-Y101 AromaticContact CE3-CE1 3.84Å; W92-Y101 HydrophobicContact CE3-CE1 3.84Å; W92-Y101 HydrophobicContact CE3-CE2 4.44Å; W92-Y101 AromaticContact CE3-CG 3.5Å; W92-Y101 HydrophobicContact CE3-CG 3.5Å; W92-Y101 VanDerWaalsContact CE3-CG 3.5Å; W92-Y101 AromaticContact CZ3-CD1 3.48Å; W92-Y101 HydrophobicContact CZ3-CD1 3.48Å; W92-Y101 VanDerWaalsContact CZ3-CD1 3.48Å; W92-Y101 HydrophobicContact CZ3-CE1 4.31Å; W92-Y101 AromaticContact CZ3-CG 3.59Å; W92-Y101 HydrophobicContact CZ3-CG 3.59Å; W92-T105 HydrophobicContact CH2-CG2 4.01Å; W92-T105 HydrophobicContact CZ3-CG2 4.38Å; W92-L125 HydrophobicContact CE3-CD2 4.02Å; W92-L125 HydrophobicContact CH2-CD2 4.21Å; W92-L125 HydrophobicContact CZ3-CD2 3.4Å; W92-I203 HydrophobicContact CB-CG1 4.26Å; W92-I203 HydrophobicContact CD2-CG2 3.81Å; W92-I203 HydrophobicContact CE3-CG2 4.05Å; W92-I203 HydrophobicContact CG-CG1 4.27Å; W92-I203 HydrophobicContact CG-CG2 4.12Å; W92-P204 VanDerWaalsContact CE2-CD 3.41Å; W92-P204 HydrophobicContact CH2-CG 4.33Å; W92-P204 HydrophobicContact CZ2-CG 3.36Å; W92-F205 AromaticContact CH2-CE2 3.74Å; W92-F205 HydrophobicContact CH2-CE2 3.74Å; W92-F205 AromaticContact CH2-CZ 3.93Å; W92-F205 HydrophobicContact CH2-CZ 3.93Å; W92-F205 HydrophobicContact CZ2-CE2 4.25Å; W92-F205 HydrophobicContact CZ3-CE2 4.07Å |
| 93 | N | 89.4 | Confident | 90.7 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.5 | -179 | -66.1 | -55.4 | 0 | 0 | 0 | 113.2 | R89 L90 S91 | R89-N93 PolarHBondContact O-N 2.03Å; R89-N93 PolarHBondContact O-ND2 2.95Å; L90-N93 CarbonylContact O-C 3.54Å; L90-N93 PolarHBondContact O-N 3.19Å; S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.32Å |
| 94 | D | 91.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | trans | -80.4 | 120.4 | 175.8 | -171.8 | -18.5 | 0 | 0 | 0 | 109.7 | S51 Y53 L90 S91 N96 N97 T98 | S51-D94 PolarHBondContact OG-OD2 3.08Å; Y53-D94 HydrophobicContact CE1-CB 4.17Å; L90-D94 PolarHBondContact O-N 3.42Å; S91-D94 WeakPolarHBondContact O-CB 3.47Å; S91-D94 PolarHBondContact O-N 2.74Å; D94-N96 PolarHBondContact O-N 3.42Å; D94-N96 VanDerWaalsContact O-N 3.16Å; D94-N96 VanDerWaalsContact OD1-CB 3.29Å; D94-N96 WeakPolarHBondContact OD1-CB 3.35Å; D94-N96 PolarHBondContact OD1-N 3.38Å; D94-N96 PolarHBondContact OD1-ND2 3.06Å; D94-N97 HydrophobicContact CB-CB 4.4Å; D94-N97 PolarHBondContact O-N 2.9Å; D94-T98 PolarHBondContact O-N 3.09Å; D94-T98 PolarHBondContact O-OG1 3.44Å | ||
| 95 | D | 92.3 | Very high | 90.6 | Very high | 140 Ų | 140 | 42.2 Ų | 42.2 | 75% | 0.749 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -55.7 | -32.3 | 178 | -72.9 | -27 | 0 | 0 | 0 | 111.8 | N97 T98 | D95-N97 PolarHBondContact O-N 3.35Å; D95-T98 WeakPolarHBondContact O-CB 3.5Å; D95-T98 PolarHBondContact O-N 3.15Å; D95-T98 PolarHBondContact O-OG1 3.17Å |
| 96 | N | 93.2 | Very high | 90.4 | Very high | 131 Ų | 131 | 45.4 Ų | 45.4 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -64.6 | -28.6 | 177.8 | -63.3 | -48.1 | 0 | 0 | 0 | 112.6 | D94 | D94-N96 PolarHBondContact O-N 3.42Å; D94-N96 VanDerWaalsContact O-N 3.16Å; D94-N96 VanDerWaalsContact OD1-CB 3.29Å; D94-N96 WeakPolarHBondContact OD1-CB 3.35Å; D94-N96 PolarHBondContact OD1-N 3.38Å; D94-N96 PolarHBondContact OD1-ND2 3.06Å |
| 97 | N | 93.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -97.2 | -7.6 | -177.3 | -62.3 | -29.5 | 0 | 0 | 0 | 112.9 | L50 S51 S91 D94 D95 N99 F100 Y101 | L50-N97 VanDerWaalsContact CA-OD1 3.28Å; L50-N97 WeakPolarHBondContact CA-OD1 3.37Å; L50-N97 HydrophobicContact CD2-CB 4.09Å; L50-N97 WeakPolarHBondContact CD2-OD1 3.43Å; S51-N97 PolarHBondContact N-OD1 3.09Å; S51-N97 PolarHBondContact O-ND2 2.74Å; S91-N97 WeakPolarHBondContact O-CB 3.24Å; S91-N97 PolarHBondContact O-ND2 2.59Å; S91-N97 PolarHBondContact OG-ND2 3.16Å; S91-N97 VanDerWaalsContact OG-ND2 3.1Å; D94-N97 HydrophobicContact CB-CB 4.4Å; D94-N97 PolarHBondContact O-N 2.9Å; D95-N97 PolarHBondContact O-N 3.35Å; N97-N99 VanDerWaalsContact C-N 3.3Å; N97-N99 PolarHBondContact O-N 2.71Å; N97-F100 WeakPolarHBondContact O-CB 3.25Å; N97-F100 PolarHBondContact O-N 2.8Å; N97-Y101 HydrophobicContact CB-CD2 3.94Å; N97-Y101 HydrophobicContact CB-CE2 3.66Å; N97-Y101 VanDerWaalsContact O-CD2 3.29Å; N97-Y101 WeakPolarHBondContact O-CD2 3.36Å; N97-Y101 PolarHBondContact O-N 2.9Å |
| 98 | T | 91.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.4 | -40.7 | -173.4 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | D94 D95 F100 Y101 A102 | D94-T98 PolarHBondContact O-N 3.09Å; D94-T98 PolarHBondContact O-OG1 3.44Å; D95-T98 WeakPolarHBondContact O-CB 3.5Å; D95-T98 PolarHBondContact O-N 3.15Å; D95-T98 PolarHBondContact O-OG1 3.17Å; T98-F100 PolarHBondContact O-N 3.33Å; T98-Y101 PolarHBondContact O-N 3.03Å; T98-A102 VanDerWaalsContact O-CB 3.29Å; T98-A102 WeakPolarHBondContact O-CB 3.17Å; T98-A102 PolarHBondContact O-N 2.92Å |
| 99 | N | 92.5 | Very high | 89.6 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 178.5 | -179.6 | 37.1 | 0 | 0 | 0 | 112.3 | N97 Q103 | N97-N99 VanDerWaalsContact C-N 3.3Å; N97-N99 PolarHBondContact O-N 2.71Å; N99-Q103 PolarHBondContact ND2-NE2 2.86Å; N99-Q103 VanDerWaalsContact O-CG 3.3Å; N99-Q103 WeakPolarHBondContact O-CG 3.43Å; N99-Q103 PolarHBondContact O-N 2.94Å; N99-Q103 PolarHBondContact OD1-NE2 3.28Å |
| 100 | F | 92.7 | Very high | 89.8 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 177.7 | 168.6 | -104.7 | 0 | 0 | 0 | 111 | M1 A30 I48 L50 N97 T98 A102 Q103 L104 | M1-F100 HydrophobicContact CE-CE1 4.22Å; M1-F100 HydrophobicContact CE-CZ 4.08Å; A30-F100 HydrophobicContact CB-CE2 3.88Å; A30-F100 HydrophobicContact CB-CZ 3.73Å; I48-F100 HydrophobicContact CD1-CD2 4.12Å; I48-F100 HydrophobicContact CD1-CE2 4.32Å; I48-F100 HydrophobicContact CG2-CB 4.37Å; I48-F100 HydrophobicContact CG2-CD2 3.86Å; I48-F100 HydrophobicContact CG2-CG 4.3Å; L50-F100 HydrophobicContact CD1-CD1 3.57Å; L50-F100 HydrophobicContact CD1-CE1 3.58Å; L50-F100 HydrophobicContact CD1-CG 4.12Å; L50-F100 HydrophobicContact CD1-CZ 4.14Å; L50-F100 HydrophobicContact CD2-CB 3.66Å; L50-F100 HydrophobicContact CD2-CD1 3.76Å; L50-F100 HydrophobicContact CD2-CG 3.73Å; L50-F100 HydrophobicContact CG-CD1 4.34Å; N97-F100 WeakPolarHBondContact O-CB 3.25Å; N97-F100 PolarHBondContact O-N 2.8Å; T98-F100 PolarHBondContact O-N 3.33Å; F100-A102 PolarHBondContact O-N 3.02Å; F100-Q103 PolarHBondContact O-N 2.8Å; F100-L104 HydrophobicContact CE1-CD2 4.45Å; F100-L104 HydrophobicContact CZ-CD1 4.49Å; F100-L104 HydrophobicContact CZ-CD2 4.45Å; F100-L104 WeakPolarHBondContact O-CB 3.29Å; F100-L104 PolarHBondContact O-N 3.36Å |
| 101 | Y | 90.5 | Very high | 90 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 179.7 | -70.9 | -60 | 0 | 0 | 0 | 113 | Y32 S91 W92 N97 T98 L104 T105 C121 L125 | Y32-Y101 PolarHBondContact OH-OH 2.85Å; S91-Y101 VanDerWaalsContact O-CE2 3.3Å; S91-Y101 WeakPolarHBondContact O-CE2 3.46Å; S91-Y101 PolarHBondContact OG-OH 2.91Å; W92-Y101 HydrophobicContact CD2-CG 4.42Å; W92-Y101 AromaticContact CE3-CD1 3.4Å; W92-Y101 HydrophobicContact CE3-CD1 3.4Å; W92-Y101 VanDerWaalsContact CE3-CD1 3.4Å; W92-Y101 HydrophobicContact CE3-CD2 4.04Å; W92-Y101 AromaticContact CE3-CE1 3.84Å; W92-Y101 HydrophobicContact CE3-CE1 3.84Å; W92-Y101 HydrophobicContact CE3-CE2 4.44Å; W92-Y101 AromaticContact CE3-CG 3.5Å; W92-Y101 HydrophobicContact CE3-CG 3.5Å; W92-Y101 VanDerWaalsContact CE3-CG 3.5Å; W92-Y101 AromaticContact CZ3-CD1 3.48Å; W92-Y101 HydrophobicContact CZ3-CD1 3.48Å; W92-Y101 VanDerWaalsContact CZ3-CD1 3.48Å; W92-Y101 HydrophobicContact CZ3-CE1 4.31Å; W92-Y101 AromaticContact CZ3-CG 3.59Å; W92-Y101 HydrophobicContact CZ3-CG 3.59Å; N97-Y101 HydrophobicContact CB-CD2 3.94Å; N97-Y101 HydrophobicContact CB-CE2 3.66Å; N97-Y101 VanDerWaalsContact O-CD2 3.29Å; N97-Y101 WeakPolarHBondContact O-CD2 3.36Å; N97-Y101 PolarHBondContact O-N 2.9Å; T98-Y101 PolarHBondContact O-N 3.03Å; Y101-L104 PolarHBondContact O-N 3.24Å; Y101-T105 WeakPolarHBondContact O-CB 3.4Å; Y101-T105 VanDerWaalsContact O-CG2 3.31Å; Y101-T105 WeakPolarHBondContact O-CG2 3.42Å; Y101-T105 PolarHBondContact O-N 3.38Å; Y101-T105 PolarHBondContact O-OG1 3.06Å; Y101-C121 PolarHBondContact OH-SG 2.73Å; Y101-C121 VanDerWaalsContact OH-SG 3.32Å; Y101-L125 HydrophobicContact CD1-CD1 3.69Å; Y101-L125 HydrophobicContact CE1-CD1 3.51Å |
| 102 | A | 89.3 | Confident | 90.2 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | T98 F100 T105 A106 | T98-A102 VanDerWaalsContact O-CB 3.29Å; T98-A102 WeakPolarHBondContact O-CB 3.17Å; T98-A102 PolarHBondContact O-N 2.92Å; F100-A102 PolarHBondContact O-N 3.02Å; A102-T105 PolarHBondContact O-OG1 3.1Å; A102-A106 WeakPolarHBondContact O-CB 3.44Å; A102-A106 PolarHBondContact O-N 2.87Å |
| 103 | Q | 89.1 | Confident | 90.6 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 27% | 0.271 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 176.5 | -71.3 | -177.8 | 46.6 | 0 | 0 | 112.7 | N99 F100 K108 | N99-Q103 PolarHBondContact ND2-NE2 2.86Å; N99-Q103 VanDerWaalsContact O-CG 3.3Å; N99-Q103 WeakPolarHBondContact O-CG 3.43Å; N99-Q103 PolarHBondContact O-N 2.94Å; N99-Q103 PolarHBondContact OD1-NE2 3.28Å; F100-Q103 PolarHBondContact O-N 2.8Å; Q103-K108 HydrophobicContact CB-CD 4.28Å; Q103-K108 HydrophobicContact CG-CD 4.18Å; Q103-K108 PolarHBondContact O-N 2.55Å |
| 104 | L | 88 | Confident | 90.9 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 177.7 | -165.4 | 73.5 | 0 | 0 | 0 | 110.9 | F100 Y101 A106 G107 W109 L112 L125 L132 | F100-L104 HydrophobicContact CE1-CD2 4.45Å; F100-L104 HydrophobicContact CZ-CD1 4.49Å; F100-L104 HydrophobicContact CZ-CD2 4.45Å; F100-L104 WeakPolarHBondContact O-CB 3.29Å; F100-L104 PolarHBondContact O-N 3.36Å; Y101-L104 PolarHBondContact O-N 3.24Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.42Å; L104-G107 PolarHBondContact O-N 2.88Å; L104-G107 VanDerWaalsContact O-N 3.16Å; L104-W109 HydrophobicContact CD1-CG 4.29Å; L104-L112 HydrophobicContact CD1-CD1 3.85Å; L104-L112 HydrophobicContact CD1-CD2 3.57Å; L104-L112 HydrophobicContact CD1-CG 4.36Å; L104-L125 HydrophobicContact CD2-CB 3.81Å; L104-L125 HydrophobicContact CD2-CD1 3.41Å; L104-L125 VanDerWaalsContact CD2-CD1 3.41Å; L104-L125 HydrophobicContact CD2-CD2 4.45Å; L104-L125 HydrophobicContact CD2-CG 4.04Å; L104-L132 HydrophobicContact CG-CD1 4.27Å |
| 105 | T | 85.5 | Confident | 91 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.1 | -26.6 | -178.9 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | W92 Y101 A102 G107 L125 F205 | W92-T105 HydrophobicContact CH2-CG2 4.01Å; W92-T105 HydrophobicContact CZ3-CG2 4.38Å; Y101-T105 WeakPolarHBondContact O-CB 3.4Å; Y101-T105 VanDerWaalsContact O-CG2 3.31Å; Y101-T105 WeakPolarHBondContact O-CG2 3.42Å; Y101-T105 PolarHBondContact O-N 3.38Å; Y101-T105 PolarHBondContact O-OG1 3.06Å; A102-T105 PolarHBondContact O-OG1 3.1Å; T105-G107 PolarHBondContact O-N 2.89Å; T105-G107 VanDerWaalsContact O-N 3.16Å; T105-L125 HydrophobicContact CG2-CD2 4.37Å; T105-F205 HydrophobicContact CG2-CE1 4.46Å; T105-F205 HydrophobicContact CG2-CE2 4.49Å; T105-F205 HydrophobicContact CG2-CZ 3.65Å |
| 106 | A | 86.3 | Confident | 91 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -5.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A102 L104 K108 | A102-A106 WeakPolarHBondContact O-CB 3.44Å; A102-A106 PolarHBondContact O-N 2.87Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.42Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 HydrophobicContact CB-CG 4.22Å; A106-K108 PolarHBondContact O-N 2.78Å |
| 107 | G | 79.8 | Confident | 90.7 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 28.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L104 T105 W109 | L104-G107 PolarHBondContact O-N 2.88Å; L104-G107 VanDerWaalsContact O-N 3.16Å; T105-G107 PolarHBondContact O-N 2.89Å; T105-G107 VanDerWaalsContact O-N 3.16Å; G107-W109 PolarHBondContact O-N 3.31Å |
| 108 | K | 84.8 | Confident | 90.1 | Very high | 146 Ų | 146 | 45.4 Ų | 45.4 | 64% | 0.635 | 26% | 0.256 | S | S | * | . | trans | -72.7 | -3.3 | 177.4 | -70 | -171.8 | 175.2 | -176.3 | 0 | 114.2 | Q103 A106 | Q103-K108 HydrophobicContact CB-CD 4.28Å; Q103-K108 HydrophobicContact CG-CD 4.18Å; Q103-K108 PolarHBondContact O-N 2.55Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 HydrophobicContact CB-CG 4.22Å; A106-K108 PolarHBondContact O-N 2.78Å | ||
| 109 | W | 91 | Very high | 90.1 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | trans | -113.3 | 124.5 | -174.5 | -57.9 | 87.4 | 0 | 0 | 0 | 110 | I48 L104 G107 L111 L112 | I48-W109 HydrophobicContact CD1-CH2 3.77Å; I48-W109 HydrophobicContact CD1-CZ2 3.95Å; L104-W109 HydrophobicContact CD1-CG 4.29Å; G107-W109 PolarHBondContact O-N 3.31Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L112 HydrophobicContact CB-CD2 3.87Å; W109-L112 HydrophobicContact CG-CD2 4.12Å | ||
| 110 | D | 92.5 | Very high | 90 | Very high | 142 Ų | 142 | 37 Ų | 37 | 76% | 0.759 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -69.6 | -32.7 | 179.6 | -57.1 | -62.7 | 0 | 0 | 0 | 112.5 | ||
| 111 | L | 95.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | trans | -155.3 | 134.6 | -178.1 | -173.7 | 68 | 0 | 0 | 0 | 111.4 | W109 T133 V135 I431 Y434 L435 | W109-L111 VanDerWaalsContact C-N 3.34Å; L111-T133 HydrophobicContact CD1-CG2 3.57Å; L111-V135 HydrophobicContact CD1-CG2 4.24Å; L111-V135 HydrophobicContact CD2-CG2 4.18Å; L111-I431 HydrophobicContact CD2-CG2 3.75Å; L111-Y434 HydrophobicContact CD1-CD1 4.28Å; L111-Y434 HydrophobicContact CD1-CE1 4.14Å; L111-L435 HydrophobicContact CB-CD2 4.3Å | ||
| 112 | L | 96 | Very high | 90 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.3 | 170.6 | -55.5 | -179.5 | 0 | 0 | 0 | 110.4 | L104 W109 I114 L132 T133 W134 V135 | L104-L112 HydrophobicContact CD1-CD1 3.85Å; L104-L112 HydrophobicContact CD1-CD2 3.57Å; L104-L112 HydrophobicContact CD1-CG 4.36Å; W109-L112 HydrophobicContact CB-CD2 3.87Å; W109-L112 HydrophobicContact CG-CD2 4.12Å; L112-I114 HydrophobicContact CB-CD1 3.93Å; L112-I114 HydrophobicContact CB-CG1 3.94Å; L112-I114 HydrophobicContact CD1-CD1 4.26Å; L112-L132 HydrophobicContact CD1-CB 4.34Å; L112-L132 HydrophobicContact CD1-CD1 3.92Å; L112-L132 HydrophobicContact CD1-CD2 4.18Å; L112-L132 HydrophobicContact CD1-CG 4.38Å; L112-T133 PolarHBondContact N-O 3.01Å; L112-W134 HydrophobicContact CB-CB 4.02Å; L112-W134 CarbonylContact O-C 3.44Å; L112-W134 WeakPolarHBondContact O-CA 3.18Å; L112-W134 WeakPolarHBondContact O-CB 3.44Å; L112-V135 PolarHBondContact O-N 3.33Å |
| 113 | I | 96 | Very high | 90.1 | Very high | 31 Ų | 31 | 34 Ų | 34 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.4 | 168.7 | -53.9 | 174.3 | 0 | 0 | 0 | 106.2 | M1 M13 L16 L20 Y137 I431 | M1-I113 PolarHBondContact N-O 2.8Å; M13-I113 HydrophobicContact CE-CB 4.18Å; M13-I113 HydrophobicContact CE-CG2 3.56Å; L16-I113 HydrophobicContact CD2-CD1 4.27Å; L20-I113 HydrophobicContact CD1-CD1 3.81Å; I113-Y137 HydrophobicContact CG2-CD2 3.9Å; I113-Y137 HydrophobicContact CG2-CG 4.01Å; I113-I431 HydrophobicContact CD1-CD1 3.77Å |
| 114 | I | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125 | -167.6 | -60.6 | 167.2 | 0 | 0 | 0 | 108.7 | M1 L112 N116 Q119 G122 W134 V135 Y137 F213 | M1-I114 HydrophobicContact CB-CG1 4.45Å; M1-I114 HydrophobicContact SD-CG1 4.28Å; L112-I114 HydrophobicContact CB-CD1 3.93Å; L112-I114 HydrophobicContact CB-CG1 3.94Å; L112-I114 HydrophobicContact CD1-CD1 4.26Å; I114-N116 PolarHBondContact O-N 3.45Å; I114-Q119 HydrophobicContact CG2-CB 4.39Å; I114-G122 WeakPolarHBondContact CD1-O 3.5Å; I114-W134 HydrophobicContact CD1-CB 3.72Å; I114-W134 HydrophobicContact CD1-CG 4.13Å; I114-W134 HydrophobicContact CG1-CB 4.45Å; I114-V135 PolarHBondContact N-O 2.89Å; I114-Y137 WeakPolarHBondContact O-CB 3.34Å; I114-Y137 PolarHBondContact O-N 3.38Å; I114-F213 HydrophobicContact CB-CE2 3.87Å; I114-F213 HydrophobicContact CB-CZ 3.98Å; I114-F213 HydrophobicContact CD1-CE2 3.95Å; I114-F213 HydrophobicContact CG2-CE2 3.76Å; I114-F213 HydrophobicContact CG2-CZ 3.83Å |
| 115 | D | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 126.3 | 171.9 | -163.4 | -16.3 | 0 | 0 | 0 | 109.7 | M1 A3 H9 M13 L117 Q119 Y137 T139 | M1-D115 WeakPolarHBondContact O-CB 3.45Å; M1-D115 PolarHBondContact O-N 3.48Å; A3-D115 PolarHBondContact N-OD2 2.9Å; A3-D115 VanDerWaalsContact N-OD2 3.17Å; H9-D115 WeakPolarHBondContact CB-OD2 3.21Å; H9-D115 IonicContact CE1-OD2 3.33Å; H9-D115 IonicContact CG-OD2 3.51Å; H9-D115 IonicContact ND1-OD1 3.58Å; H9-D115 IonicContact ND1-OD2 2.72Å; H9-D115 PolarHBondContact ND1-OD2 3.28Å; M13-D115 HydrophobicContact SD-CB 4.34Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact OD1-N 2.95Å; D115-L117 VanDerWaalsContact OD1-N 3.12Å; D115-Q119 HydrophobicContact CB-CB 4.3Å; D115-Q119 WeakPolarHBondContact O-CB 3.41Å; D115-Y137 CarbonylContact C-O 3.5Å; D115-Y137 WeakPolarHBondContact CA-O 3.36Å; D115-T139 PolarHBondContact OD1-OG1 2.81Å; D115-T139 VanDerWaalsContact OD2-CG2 3.22Å; D115-T139 WeakPolarHBondContact OD2-CG2 2.88Å; D115-T139 PolarHBondContact OD2-OG1 3.16Å |
| 116 | N | 92.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84.8 | -4 | -179.9 | 71.1 | 10.5 | 0 | 0 | 0 | 114 | I114 M123 D136 Y137 S138 F213 Y214 | I114-N116 PolarHBondContact O-N 3.45Å; N116-M123 HydrophobicContact CB-CE 4.18Å; N116-M123 WeakPolarHBondContact O-CE 3.3Å; N116-D136 WeakPolarHBondContact CB-OD1 3.39Å; N116-D136 VanDerWaalsContact CG-OD1 3.3Å; N116-D136 PolarHBondContact ND2-OD1 2.87Å; N116-Y137 PolarHBondContact N-O 3.39Å; N116-S138 WeakPolarHBondContact ND2-CB 3.36Å; N116-S138 WeakPolarHBondContact OD1-CA 3.22Å; N116-S138 VanDerWaalsContact OD1-CB 3.31Å; N116-S138 WeakPolarHBondContact OD1-CB 3.41Å; N116-S138 PolarHBondContact OD1-OG 2.92Å; N116-F213 HydrophobicContact CB-CE1 3.81Å; N116-F213 HydrophobicContact CB-CZ 4.42Å; N116-Y214 HydrophobicContact CB-CE1 3.79Å |
| 117 | L | 87 | Confident | 90.6 | Very high | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.115 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -100.4 | 119.9 | 172.6 | -159.6 | 66.9 | 0 | 0 | 0 | 109.5 | A3 H9 D115 Q119 M143 W189 | A3-L117 WeakPolarHBondContact CB-O 3.48Å; H9-L117 VanDerWaalsContact CE1-CD2 3.5Å; H9-L117 WeakPolarHBondContact CE1-CD2 3.38Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact OD1-N 2.95Å; D115-L117 VanDerWaalsContact OD1-N 3.12Å; L117-Q119 VanDerWaalsContact C-N 3.27Å; L117-Q119 PolarHBondContact O-N 2.92Å; L117-M143 HydrophobicContact CD1-CE 3.58Å; L117-M143 HydrophobicContact CD1-SD 4.38Å; L117-W189 HydrophobicContact CD1-CH2 4.32Å |
| 118 | F | 81.4 | Confident | 90.8 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 20% | 0.202 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 52.6 | 38.7 | 175.8 | -52.8 | -59.5 | 0 | 0 | 0 | 114.8 | A3 L4 F57 S80 A84 P120 I192 | A3-F118 HydrophobicContact CB-CB 4.32Å; L4-F118 WeakPolarHBondContact CG-O 3.29Å; L4-F118 PolarHBondContact N-O 2.99Å; F57-F118 HydrophobicContact CE2-CD2 4.18Å; F57-F118 HydrophobicContact CE2-CE2 4.46Å; F57-F118 HydrophobicContact CE2-CG 4.27Å; F57-F118 HydrophobicContact CZ-CB 4.31Å; F57-F118 HydrophobicContact CZ-CD2 4.45Å; F57-F118 HydrophobicContact CZ-CG 4.28Å; S80-F118 VanDerWaalsContact OG-CE1 3.22Å; S80-F118 WeakPolarHBondContact OG-CE1 3.01Å; A84-F118 HydrophobicContact CB-CD1 4.49Å; F118-P120 VanDerWaalsContact C-CD 3.4Å; F118-I192 HydrophobicContact CE1-CD1 4.29Å |
| 119 | Q | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -126.3 | 66.2 | 173.3 | -130.2 | -52.6 | -16.2 | 0 | 0 | 113.6 | P2 I114 D115 L117 C121 M123 | P2-Q119 WeakPolarHBondContact O-CG 3.36Å; I114-Q119 HydrophobicContact CG2-CB 4.39Å; D115-Q119 HydrophobicContact CB-CB 4.3Å; D115-Q119 WeakPolarHBondContact O-CB 3.41Å; L117-Q119 VanDerWaalsContact C-N 3.27Å; L117-Q119 PolarHBondContact O-N 2.92Å; Q119-C121 VanDerWaalsContact C-N 3.32Å; Q119-C121 PolarHBondContact O-N 2.67Å; Q119-M123 VanDerWaalsContact O-CG 3.3Å; Q119-M123 WeakPolarHBondContact O-CG 3.46Å; Q119-M123 PolarHBondContact O-N 2.94Å | ||
| 120 | P | 90 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -31.8 | 178.4 | 14.2 | -22.5 | 0 | 0 | 0 | 114.3 | L4 A84 C88 F118 M123 V124 M196 W208 | L4-P120 HydrophobicContact CD1-CG 4Å; A84-P120 HydrophobicContact CB-CG 3.86Å; A84-P120 WeakPolarHBondContact O-CG 3.26Å; C88-P120 HydrophobicContact CB-CB 4.19Å; C88-P120 HydrophobicContact CB-CG 3.9Å; F118-P120 VanDerWaalsContact C-CD 3.4Å; P120-M123 PolarHBondContact O-N 2.83Å; P120-V124 WeakPolarHBondContact O-CB 3.3Å; P120-V124 WeakPolarHBondContact O-CG2 3.33Å; P120-V124 PolarHBondContact O-N 3.42Å; P120-M196 HydrophobicContact CB-CG 3.67Å; P120-M196 HydrophobicContact CB-SD 3.68Å; P120-M196 HydrophobicContact CG-CG 4.06Å; P120-M196 HydrophobicContact CG-SD 3.89Å; P120-W208 HydrophobicContact CB-CH2 4.47Å |
| 121 | C | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -48.8 | -178.1 | -79.7 | 0 | 0 | 0 | 0 | 112.8 | C88 Y101 Q119 M123 L125 | C88-C121 WeakPolarHBondContact CA-SG 3.49Å; C88-C121 HydrophobicContact CB-CB 4.2Å; C88-C121 WeakPolarHBondContact CB-SG 3.33Å; C88-C121 WeakPolarHBondContact SG-CA 3.33Å; C88-C121 WeakPolarHBondContact SG-CB 3.48Å; C88-C121 PolarHBondContact SG-N 2.86Å; C88-C121 CovalentContact SG-SG 2.04Å; C88-C121 PolarHBondContact SG-SG 3.08Å; Y101-C121 PolarHBondContact OH-SG 2.73Å; Y101-C121 VanDerWaalsContact OH-SG 3.32Å; Q119-C121 VanDerWaalsContact C-N 3.32Å; Q119-C121 PolarHBondContact O-N 2.67Å; C121-M123 VanDerWaalsContact C-N 3.31Å; C121-M123 PolarHBondContact O-N 2.84Å; C121-L125 HydrophobicContact CB-CD1 4.29Å; C121-L125 WeakPolarHBondContact O-CB 3.44Å; C121-L125 WeakPolarHBondContact O-CD1 3.49Å; C121-L125 WeakPolarHBondContact O-CG 2.92Å; C121-L125 PolarHBondContact O-N 3.08Å |
| 122 | G | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | I114 L125 S126 | I114-G122 WeakPolarHBondContact CD1-O 3.5Å; G122-L125 PolarHBondContact O-N 2.71Å; G122-S126 WeakPolarHBondContact O-CB 3.37Å; G122-S126 PolarHBondContact O-N 2.99Å; G122-S126 PolarHBondContact O-OG 3.36Å |
| 123 | M | 92.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -51.1 | 179.1 | -63.3 | 176 | -173.9 | 0 | 0 | 112.6 | N116 Q119 P120 C121 L125 S126 T127 M196 W208 V210 F213 | N116-M123 HydrophobicContact CB-CE 4.18Å; N116-M123 WeakPolarHBondContact O-CE 3.3Å; Q119-M123 VanDerWaalsContact O-CG 3.3Å; Q119-M123 WeakPolarHBondContact O-CG 3.46Å; Q119-M123 PolarHBondContact O-N 2.94Å; P120-M123 PolarHBondContact O-N 2.83Å; C121-M123 VanDerWaalsContact C-N 3.31Å; C121-M123 PolarHBondContact O-N 2.84Å; M123-L125 PolarHBondContact O-N 3.42Å; M123-S126 PolarHBondContact O-OG 3.48Å; M123-S126 VanDerWaalsContact O-OG 3.11Å; M123-T127 WeakPolarHBondContact O-CB 3.37Å; M123-T127 VanDerWaalsContact O-CG2 3.29Å; M123-T127 WeakPolarHBondContact O-CG2 3.02Å; M123-T127 PolarHBondContact O-N 3.35Å; M123-T127 PolarHBondContact O-OG1 3Å; M123-M196 HydrophobicContact SD-CE 3.82Å; M123-W208 HydrophobicContact CB-CE3 4.43Å; M123-W208 HydrophobicContact CB-CH2 4.2Å; M123-W208 HydrophobicContact CB-CZ3 3.64Å; M123-W208 HydrophobicContact SD-CZ3 4.49Å; M123-V210 HydrophobicContact SD-CG2 4.43Å; M123-F213 HydrophobicContact CB-CB 4.23Å; M123-F213 HydrophobicContact CB-CD2 4Å; M123-F213 HydrophobicContact CB-CG 4.06Å; M123-F213 HydrophobicContact CE-CD1 4.28Å; M123-F213 HydrophobicContact CE-CE1 4.11Å; M123-F213 HydrophobicContact CG-CB 4.26Å; M123-F213 HydrophobicContact CG-CD1 3.85Å; M123-F213 HydrophobicContact CG-CD2 3.73Å; M123-F213 HydrophobicContact CG-CE1 4.08Å; M123-F213 HydrophobicContact CG-CE2 3.95Å; M123-F213 HydrophobicContact CG-CG 3.66Å; M123-F213 HydrophobicContact CG-CZ 4.12Å; M123-F213 HydrophobicContact SD-CD1 4.34Å |
| 124 | V | 90.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -51 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 110 | P120 S126 T127 A128 A200 I203 F205 W208 | P120-V124 WeakPolarHBondContact O-CB 3.3Å; P120-V124 WeakPolarHBondContact O-CG2 3.33Å; P120-V124 PolarHBondContact O-N 3.42Å; V124-S126 PolarHBondContact O-N 3.42Å; V124-T127 PolarHBondContact O-N 2.85Å; V124-T127 PolarHBondContact O-OG1 2.87Å; V124-A128 WeakPolarHBondContact O-CB 3.3Å; V124-A128 PolarHBondContact O-N 3.14Å; V124-A200 HydrophobicContact CG2-CB 3.8Å; V124-I203 HydrophobicContact CB-CD1 4.33Å; V124-I203 HydrophobicContact CG1-CB 4.22Å; V124-I203 HydrophobicContact CG1-CD1 3.98Å; V124-I203 HydrophobicContact CG1-CG2 4.04Å; V124-I203 HydrophobicContact CG2-CD1 4.17Å; V124-F205 HydrophobicContact CG1-CD2 4.43Å; V124-W208 HydrophobicContact CB-CD2 4.31Å; V124-W208 HydrophobicContact CG1-CG 4.47Å; V124-W208 HydrophobicContact CG2-CD2 3.6Å; V124-W208 HydrophobicContact CG2-CE3 4.07Å; V124-W208 HydrophobicContact CG2-CG 4.13Å; V124-W208 HydrophobicContact CG2-CH2 3.88Å; V124-W208 HydrophobicContact CG2-CZ2 3.4Å; V124-W208 HydrophobicContact CG2-CZ3 4.19Å |
| 125 | L | 88.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68 | -43.7 | -171.7 | -67.3 | 159.3 | 0 | 0 | 0 | 111.3 | W92 Y101 L104 T105 C121 G122 M123 S129 L132 F205 | W92-L125 HydrophobicContact CE3-CD2 4.02Å; W92-L125 HydrophobicContact CH2-CD2 4.21Å; W92-L125 HydrophobicContact CZ3-CD2 3.4Å; Y101-L125 HydrophobicContact CD1-CD1 3.69Å; Y101-L125 HydrophobicContact CE1-CD1 3.51Å; L104-L125 HydrophobicContact CD2-CB 3.81Å; L104-L125 HydrophobicContact CD2-CD1 3.41Å; L104-L125 VanDerWaalsContact CD2-CD1 3.41Å; L104-L125 HydrophobicContact CD2-CD2 4.45Å; L104-L125 HydrophobicContact CD2-CG 4.04Å; T105-L125 HydrophobicContact CG2-CD2 4.37Å; C121-L125 HydrophobicContact CB-CD1 4.29Å; C121-L125 WeakPolarHBondContact O-CB 3.44Å; C121-L125 WeakPolarHBondContact O-CD1 3.49Å; C121-L125 WeakPolarHBondContact O-CG 2.92Å; C121-L125 PolarHBondContact O-N 3.08Å; G122-L125 PolarHBondContact O-N 2.71Å; M123-L125 PolarHBondContact O-N 3.42Å; L125-S129 WeakPolarHBondContact O-CB 3.45Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 PolarHBondContact O-OG 2.96Å; L125-L132 WeakPolarHBondContact O-CD1 3.29Å; L125-F205 HydrophobicContact CD2-CD2 4.31Å; L125-F205 HydrophobicContact CD2-CE2 3.51Å; L125-F205 HydrophobicContact CD2-CZ 4.14Å |
| 126 | S | 90.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 178.4 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | G122 M123 V124 W134 | G122-S126 WeakPolarHBondContact O-CB 3.37Å; G122-S126 PolarHBondContact O-N 2.99Å; G122-S126 PolarHBondContact O-OG 3.36Å; M123-S126 PolarHBondContact O-OG 3.48Å; M123-S126 VanDerWaalsContact O-OG 3.11Å; V124-S126 PolarHBondContact O-N 3.42Å; S126-W134 WeakPolarHBondContact O-CZ3 3.02Å |
| 127 | T | 89.4 | Confident | 89 | Confident | 34 Ų | 34 | 27.6 Ų | 27.6 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.1 | -33 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | M123 V124 W134 D212 F213 | M123-T127 WeakPolarHBondContact O-CB 3.37Å; M123-T127 VanDerWaalsContact O-CG2 3.29Å; M123-T127 WeakPolarHBondContact O-CG2 3.02Å; M123-T127 PolarHBondContact O-N 3.35Å; M123-T127 PolarHBondContact O-OG1 3Å; V124-T127 PolarHBondContact O-N 2.85Å; V124-T127 PolarHBondContact O-OG1 2.87Å; T127-W134 HydrophobicContact CG2-CH2 4.47Å; T127-W134 HydrophobicContact CG2-CZ2 4.24Å; T127-D212 HydrophobicContact CG2-CB 4.02Å; T127-F213 HydrophobicContact CG2-CB 3.67Å |
| 128 | A | 83.8 | Confident | 89.3 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 26% | 0.264 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -96.4 | -13.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V124 F205 | V124-A128 WeakPolarHBondContact O-CB 3.3Å; V124-A128 PolarHBondContact O-N 3.14Å; A128-F205 HydrophobicContact CB-CB 3.21Å; A128-F205 HydrophobicContact CB-CD1 4.26Å; A128-F205 HydrophobicContact CB-CD2 4.33Å; A128-F205 HydrophobicContact CB-CG 3.71Å |
| 129 | S | 82 | Confident | 89.8 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -95.9 | 126.9 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | L125 N131 | L125-S129 WeakPolarHBondContact O-CB 3.45Å; L125-S129 PolarHBondContact O-N 2.85Å; L125-S129 PolarHBondContact O-OG 2.96Å; S129-N131 VanDerWaalsContact C-N 3.26Å; S129-N131 PolarHBondContact O-N 3.07Å |
| 130 | K | 75.9 | Confident | 89.8 | Confident | 207 Ų | 207 | 24.7 Ų | 24.7 | 90% | 0.9 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.7 | -173.9 | -67.6 | -174.5 | 178.5 | -179.8 | 0 | 115.6 | ||
| 131 | N | 79.7 | Confident | 89.7 | Confident | 140 Ų | 140 | 25.1 Ų | 25.1 | 75% | 0.749 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | 15.2 | -169 | -64.8 | -13.6 | 0 | 0 | 0 | 113.3 | S129 | S129-N131 VanDerWaalsContact C-N 3.26Å; S129-N131 PolarHBondContact O-N 3.07Å |
| 132 | L | 90.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | trans | -97.6 | 133.4 | 176.7 | -68.1 | -179.4 | 0 | 0 | 0 | 110.4 | L104 L112 L125 W134 | L104-L132 HydrophobicContact CG-CD1 4.27Å; L112-L132 HydrophobicContact CD1-CB 4.34Å; L112-L132 HydrophobicContact CD1-CD1 3.92Å; L112-L132 HydrophobicContact CD1-CD2 4.18Å; L112-L132 HydrophobicContact CD1-CG 4.38Å; L125-L132 WeakPolarHBondContact O-CD1 3.29Å; L132-W134 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 133 | T | 93.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 27.1 Ų | 27.1 | 23% | 0.233 | 14% | 0.141 | C | C | . | . | trans | -109.9 | 136.3 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 108 | L111 L112 V218 Y434 | L111-T133 HydrophobicContact CD1-CG2 3.57Å; L112-T133 PolarHBondContact N-O 3.01Å; T133-V218 HydrophobicContact CG2-CG2 3.27Å; T133-Y434 HydrophobicContact CG2-CE1 3.56Å; T133-Y434 WeakPolarHBondContact CG2-OH 3.05Å | ||
| 134 | W | 95.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 155.6 | -180 | 70.1 | 100.6 | 0 | 0 | 0 | 114.7 | L112 I114 S126 T127 L132 F213 N216 V218 | L112-W134 HydrophobicContact CB-CB 4.02Å; L112-W134 CarbonylContact O-C 3.44Å; L112-W134 WeakPolarHBondContact O-CA 3.18Å; L112-W134 WeakPolarHBondContact O-CB 3.44Å; I114-W134 HydrophobicContact CD1-CB 3.72Å; I114-W134 HydrophobicContact CD1-CG 4.13Å; I114-W134 HydrophobicContact CG1-CB 4.45Å; S126-W134 WeakPolarHBondContact O-CZ3 3.02Å; T127-W134 HydrophobicContact CG2-CH2 4.47Å; T127-W134 HydrophobicContact CG2-CZ2 4.24Å; L132-W134 WeakPolarHBondContact O-CZ3 3.43Å; W134-F213 AromaticContact CD1-CD2 3.7Å; W134-F213 AromaticContact CD1-CE2 3.36Å; W134-F213 HydrophobicContact CG-CE2 4.31Å; W134-F213 WeakPolarHBondContact CZ2-O 3.35Å; W134-F213 AromaticContact NE1-CD2 3.31Å; W134-F213 VanDerWaalsContact NE1-CD2 3.31Å; W134-F213 AromaticContact NE1-CE2 3.5Å; W134-F213 PolarHBondContact NE1-O 3.13Å; W134-N216 HydrophobicContact CH2-CB 3.56Å; W134-N216 HydrophobicContact CZ2-CB 3.65Å; W134-V218 WeakPolarHBondContact O-CB 3.4Å; W134-V218 PolarHBondContact O-N 3Å |
| 135 | V | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.6 | 163.1 | 173.5 | 0 | 0 | 0 | 0 | 107.7 | L111 L112 I114 Y137 Y219 I221 | L111-V135 HydrophobicContact CD1-CG2 4.24Å; L111-V135 HydrophobicContact CD2-CG2 4.18Å; L112-V135 PolarHBondContact O-N 3.33Å; I114-V135 PolarHBondContact N-O 2.89Å; V135-Y137 PolarHBondContact O-N 3.39Å; V135-Y219 HydrophobicContact CG2-CD2 4.39Å; V135-I221 HydrophobicContact CG1-CD1 3.62Å; V135-I221 HydrophobicContact CG1-CG1 3.89Å |
| 136 | D | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 111.6 | 166.6 | 159.4 | 28.3 | 0 | 0 | 0 | 107.8 | N116 F213 Y214 Y219 S220 I221 | N116-D136 WeakPolarHBondContact CB-OD1 3.39Å; N116-D136 VanDerWaalsContact CG-OD1 3.3Å; N116-D136 PolarHBondContact ND2-OD1 2.87Å; D136-F213 HydrophobicContact CB-CE1 3.96Å; D136-F213 HydrophobicContact CB-CZ 4.01Å; D136-Y214 WeakPolarHBondContact OD2-CD1 3.04Å; D136-Y219 PolarHBondContact N-O 2.95Å; D136-S220 CarbonylContact O-C 3.58Å; D136-S220 VanDerWaalsContact O-CA 3.3Å; D136-S220 WeakPolarHBondContact O-CA 3.49Å; D136-S220 VanDerWaalsContact OD2-CB 3.23Å; D136-S220 WeakPolarHBondContact OD2-CB 3.19Å; D136-S220 PolarHBondContact OD2-OG 3.4Å; D136-I221 PolarHBondContact O-N 3.33Å |
| 137 | Y | 94.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123 | -178.2 | -172.5 | -79.4 | 0 | 0 | 0 | 109.6 | M13 L16 I113 I114 D115 N116 V135 T139 I221 V241 | M13-Y137 HydrophobicContact CE-CD1 4.16Å; M13-Y137 HydrophobicContact CE-CG 4.16Å; M13-Y137 HydrophobicContact CG-CD1 4.12Å; M13-Y137 HydrophobicContact CG-CE1 3.91Å; M13-Y137 HydrophobicContact SD-CD1 4.46Å; L16-Y137 HydrophobicContact CD2-CD2 4.12Å; L16-Y137 HydrophobicContact CD2-CE2 3.7Å; I113-Y137 HydrophobicContact CG2-CD2 3.9Å; I113-Y137 HydrophobicContact CG2-CG 4.01Å; I114-Y137 WeakPolarHBondContact O-CB 3.34Å; I114-Y137 PolarHBondContact O-N 3.38Å; D115-Y137 CarbonylContact C-O 3.5Å; D115-Y137 WeakPolarHBondContact CA-O 3.36Å; N116-Y137 PolarHBondContact N-O 3.39Å; V135-Y137 PolarHBondContact O-N 3.39Å; Y137-T139 HydrophobicContact CD1-CG2 4.16Å; Y137-T139 HydrophobicContact CE1-CG2 3.9Å; Y137-I221 HydrophobicContact CD2-CB 4.02Å; Y137-I221 HydrophobicContact CD2-CD1 4.2Å; Y137-I221 HydrophobicContact CD2-CG2 3.84Å; Y137-I221 HydrophobicContact CE2-CG2 3.82Å; Y137-V241 HydrophobicContact CE2-CB 4.35Å; Y137-V241 HydrophobicContact CE2-CG1 4.42Å |
| 138 | S | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -103.8 | 120.4 | 173.1 | -153.9 | 0 | 0 | 0 | 0 | 110.1 | N116 T140 I221 S223 | N116-S138 WeakPolarHBondContact ND2-CB 3.36Å; N116-S138 WeakPolarHBondContact OD1-CA 3.22Å; N116-S138 VanDerWaalsContact OD1-CB 3.31Å; N116-S138 WeakPolarHBondContact OD1-CB 3.41Å; N116-S138 PolarHBondContact OD1-OG 2.92Å; S138-T140 PolarHBondContact O-N 3.13Å; S138-T140 VanDerWaalsContact OG-CG2 3.27Å; S138-T140 WeakPolarHBondContact OG-CG2 3.42Å; S138-I221 WeakPolarHBondContact CA-O 3.42Å; S138-I221 VanDerWaalsContact CB-O 3.3Å; S138-I221 WeakPolarHBondContact CB-O 3.22Å; S138-I221 PolarHBondContact N-O 3.06Å; S138-S223 PolarHBondContact O-OG 3.2Å | ||
| 139 | T | 91.5 | Very high | 89 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -70.8 | -2.6 | 170 | 49.6 | 0 | 0 | 0 | 0 | 113 | H9 M13 D115 Y137 Y243 | H9-T139 HydrophobicContact CB-CG2 4.17Å; H9-T139 PolarHBondContact CE1-OG1 3.41Å; H9-T139 PolarHBondContact ND1-OG1 2.91Å; M13-T139 HydrophobicContact CG-CG2 4.3Å; D115-T139 PolarHBondContact OD1-OG1 2.81Å; D115-T139 VanDerWaalsContact OD2-CG2 3.22Å; D115-T139 WeakPolarHBondContact OD2-CG2 2.88Å; D115-T139 PolarHBondContact OD2-OG1 3.16Å; Y137-T139 HydrophobicContact CD1-CG2 4.16Å; Y137-T139 HydrophobicContact CE1-CG2 3.9Å; T139-Y243 PolarHBondContact O-OH 3.31Å |
| 140 | T | 91 | Very high | 89.4 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -119.7 | -171.3 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | S138 M143 S223 D365 Y369 | S138-T140 PolarHBondContact O-N 3.13Å; S138-T140 VanDerWaalsContact OG-CG2 3.27Å; S138-T140 WeakPolarHBondContact OG-CG2 3.42Å; T140-M143 HydrophobicContact CG2-CE 3.69Å; T140-M143 HydrophobicContact CG2-CG 4.3Å; T140-S223 PolarHBondContact O-N 3.49Å; T140-D365 VanDerWaalsContact CB-OD2 3.3Å; T140-D365 WeakPolarHBondContact CB-OD2 3.43Å; T140-D365 PolarHBondContact OG1-OD2 2.91Å; T140-Y369 PolarHBondContact OG1-OH 3.08Å |
| 141 | H | 89.3 | Confident | 89.9 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.046 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -60.7 | 152.5 | 166.2 | 69.5 | -66.8 | 0 | 0 | 0 | 110.5 | M143 L224 R368 Y369 | H141-M143 PolarHBondContact O-N 3.4Å; H141-L224 HydrophobicContact CB-CB 3.85Å; H141-L224 HydrophobicContact CB-CD2 4.02Å; H141-R368 VanDerWaalsContact CD2-CD 3.46Å; H141-R368 WeakPolarHBondContact CD2-CD 3.45Å; H141-R368 PolarHBondContact CD2-NE 3.48Å; H141-R368 WeakPolarHBondContact NE2-CD 3.5Å; H141-Y369 HydrophobicContact CB-CE1 4.35Å; H141-Y369 WeakPolarHBondContact CB-OH 3.41Å; H141-Y369 PolarHBondContact N-OH 3.15Å; H141-Y369 VanDerWaalsContact N-OH 3.08Å; H141-Y369 AromaticContact ND1-CZ 3.7Å; H141-Y369 PolarHBondContact ND1-OH 3.2Å |
| 142 | M | 88.6 | Confident | 90.3 | Very high | 23 Ų | 23 | 14 Ų | 14 | 11% | 0.113 | 8% | 0.081 | C | C | . | . | trans | -64.9 | 109.5 | 175.3 | -163.5 | 178.7 | -69.3 | 0 | 0 | 109.6 | P146 R147 V152 S220 T238 | M142-P146 HydrophobicContact CG-CB 4.12Å; M142-R147 HydrophobicContact CB-CG 3.93Å; M142-R147 HydrophobicContact CG-CG 3.62Å; M142-R147 WeakPolarHBondContact O-CD 3.44Å; M142-R147 PolarHBondContact O-NE 3.16Å; M142-R147 VanDerWaalsContact O-NE 3.14Å; M142-R147 HydrophobicContact SD-CG 3.76Å; M142-V152 HydrophobicContact SD-CG2 4.2Å; M142-S220 WeakPolarHBondContact CE-O 3.27Å; M142-T238 HydrophobicContact CE-CG2 3.87Å; M142-T238 HydrophobicContact SD-CG2 4.06Å | ||
| 143 | M | 86.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 9% | 0.094 | 10% | 0.102 | C | C | . | . | trans | -64.5 | 161.9 | -175.6 | -64.3 | -178.2 | 171 | 0 | 0 | 111.7 | L117 T140 H141 L145 P146 R147 W189 | L117-M143 HydrophobicContact CD1-CE 3.58Å; L117-M143 HydrophobicContact CD1-SD 4.38Å; T140-M143 HydrophobicContact CG2-CE 3.69Å; T140-M143 HydrophobicContact CG2-CG 4.3Å; H141-M143 PolarHBondContact O-N 3.4Å; M143-L145 PolarHBondContact O-N 3.24Å; M143-P146 HydrophobicContact CB-CG 4.08Å; M143-P146 VanDerWaalsContact O-CD 3.32Å; M143-P146 WeakPolarHBondContact O-CD 3.25Å; M143-R147 WeakPolarHBondContact O-CB 3.25Å; M143-R147 WeakPolarHBondContact O-CG 3.39Å; M143-R147 PolarHBondContact O-N 3.07Å; M143-W189 HydrophobicContact CE-CH2 3.8Å; M143-W189 HydrophobicContact CE-CZ2 3.82Å; M143-W189 HydrophobicContact SD-CH2 3.37Å; M143-W189 WeakPolarHBondContact SD-CH2 3.32Å; M143-W189 HydrophobicContact SD-CZ2 3.2Å; M143-W189 WeakPolarHBondContact SD-CZ2 3.34Å; M143-W189 HydrophobicContact SD-CZ3 4.29Å | ||
| 144 | K | 87.1 | Confident | 89.8 | Confident | 31 Ų | 31 | 18.1 Ų | 18.1 | 14% | 0.135 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | -175 | -71 | -177.2 | -171 | 167.1 | 0 | 113.6 | R147 A148 D159 E185 | K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 3.39Å; K144-A148 PolarHBondContact O-N 3.39Å; K144-D159 WeakPolarHBondContact CE-OD2 3.18Å; K144-E185 WeakPolarHBondContact CD-OE1 3.48Å; K144-E185 WeakPolarHBondContact CD-OE2 3.43Å; K144-E185 WeakPolarHBondContact CE-OE2 3.22Å; K144-E185 IonicContact NZ-OE2 3.44Å; K144-E185 PolarHBondContact NZ-OE2 3.45Å |
| 145 | L | 85.9 | Confident | 89.5 | Confident | 23 Ų | 23 | 20.3 Ų | 20.3 | 12% | 0.12 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.4 | -49.7 | -177.4 | -175.6 | 72.4 | 0 | 0 | 0 | 112.4 | M143 R147 A148 F149 L186 W189 N193 | M143-L145 PolarHBondContact O-N 3.24Å; L145-R147 VanDerWaalsContact C-N 3.29Å; L145-R147 PolarHBondContact O-N 2.87Å; L145-A148 WeakPolarHBondContact O-CB 3.3Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-A148 VanDerWaalsContact O-N 3.09Å; L145-F149 HydrophobicContact CD1-CE1 4.44Å; L145-F149 HydrophobicContact CD1-CE2 3.77Å; L145-F149 HydrophobicContact CD1-CZ 3.7Å; L145-F149 HydrophobicContact CD2-CE2 3.89Å; L145-F149 HydrophobicContact CD2-CZ 4.35Å; L145-F149 HydrophobicContact CG-CD2 4.15Å; L145-F149 HydrophobicContact CG-CE2 3.49Å; L145-F149 VanDerWaalsContact CG-CE2 3.49Å; L145-F149 HydrophobicContact CG-CZ 3.97Å; L145-F149 WeakPolarHBondContact O-CD2 3.4Å; L145-F149 PolarHBondContact O-N 2.77Å; L145-F149 VanDerWaalsContact O-N 3.16Å; L145-L186 HydrophobicContact CD1-CD1 4.1Å; L145-W189 HydrophobicContact CD2-CB 3.95Å; L145-N193 VanDerWaalsContact CD2-ND2 3.27Å; L145-N193 WeakPolarHBondContact CD2-ND2 3.26Å |
| 146 | P | 88.2 | Confident | 89 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.7 | -44.1 | 169.5 | -26.4 | 31 | 0 | 0 | 0 | 113.1 | M142 M143 A148 F149 R150 Y214 | M142-P146 HydrophobicContact CG-CB 4.12Å; M143-P146 HydrophobicContact CB-CG 4.08Å; M143-P146 VanDerWaalsContact O-CD 3.32Å; M143-P146 WeakPolarHBondContact O-CD 3.25Å; P146-A148 VanDerWaalsContact C-N 3.3Å; P146-A148 PolarHBondContact O-N 3.42Å; P146-F149 PolarHBondContact O-N 3.38Å; P146-R150 WeakPolarHBondContact O-CG 3.25Å; P146-R150 PolarHBondContact O-N 3.35Å; P146-R150 VanDerWaalsContact O-N 3.08Å; P146-Y214 HydrophobicContact CB-CD1 3.84Å; P146-Y214 HydrophobicContact CB-CE1 3.78Å; P146-Y214 HydrophobicContact CB-CG 4.48Å; P146-Y214 HydrophobicContact CG-CD1 4.12Å; P146-Y214 HydrophobicContact CG-CE1 3.58Å; P146-Y214 HydrophobicContact CG-CE2 4.31Å |
| 147 | R | 89 | Confident | 88.7 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -40.3 | 176.5 | -76.1 | -168.6 | -69.9 | 167.3 | 5 | 112.6 | M142 M143 K144 L145 R150 G151 V152 D159 | M142-R147 HydrophobicContact CB-CG 3.93Å; M142-R147 HydrophobicContact CG-CG 3.62Å; M142-R147 WeakPolarHBondContact O-CD 3.44Å; M142-R147 PolarHBondContact O-NE 3.16Å; M142-R147 VanDerWaalsContact O-NE 3.14Å; M142-R147 HydrophobicContact SD-CG 3.76Å; M143-R147 WeakPolarHBondContact O-CB 3.25Å; M143-R147 WeakPolarHBondContact O-CG 3.39Å; M143-R147 PolarHBondContact O-N 3.07Å; K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 3.39Å; L145-R147 VanDerWaalsContact C-N 3.29Å; L145-R147 PolarHBondContact O-N 2.87Å; R147-R150 CarbonylContact O-C 3.54Å; R147-R150 PolarHBondContact O-N 2.83Å; R147-G151 PolarHBondContact O-N 3.46Å; R147-V152 HydrophobicContact CB-CG2 3.8Å; R147-V152 HydrophobicContact CG-CG2 3.84Å; R147-V152 WeakPolarHBondContact O-CG2 3.34Å; R147-V152 PolarHBondContact O-N 3.39Å; R147-D159 IonicContact CZ-OD2 3.08Å; R147-D159 IonicContact NH2-OD2 2.73Å; R147-D159 PolarHBondContact NH2-OD2 3.08Å |
| 148 | A | 88.1 | Confident | 88.5 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 26% | 0.256 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K144 L145 P146 R150 G151 Q153 | K144-A148 PolarHBondContact O-N 3.39Å; L145-A148 WeakPolarHBondContact O-CB 3.3Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-A148 VanDerWaalsContact O-N 3.09Å; P146-A148 VanDerWaalsContact C-N 3.3Å; P146-A148 PolarHBondContact O-N 3.42Å; A148-R150 PolarHBondContact O-N 3.19Å; A148-G151 PolarHBondContact O-N 3.45Å; A148-Q153 HydrophobicContact CB-CB 4.38Å |
| 149 | F | 89 | Confident | 88.3 | Confident | 37 Ų | 37 | 27.5 Ų | 27.5 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -21 | 177.5 | -62.5 | -43.9 | 0 | 0 | 0 | 113.8 | L145 P146 Q211 Y214 T449 | L145-F149 HydrophobicContact CD1-CE1 4.44Å; L145-F149 HydrophobicContact CD1-CE2 3.77Å; L145-F149 HydrophobicContact CD1-CZ 3.7Å; L145-F149 HydrophobicContact CD2-CE2 3.89Å; L145-F149 HydrophobicContact CD2-CZ 4.35Å; L145-F149 HydrophobicContact CG-CD2 4.15Å; L145-F149 HydrophobicContact CG-CE2 3.49Å; L145-F149 VanDerWaalsContact CG-CE2 3.49Å; L145-F149 HydrophobicContact CG-CZ 3.97Å; L145-F149 WeakPolarHBondContact O-CD2 3.4Å; L145-F149 PolarHBondContact O-N 2.77Å; L145-F149 VanDerWaalsContact O-N 3.16Å; P146-F149 PolarHBondContact O-N 3.38Å; F149-Q211 HydrophobicContact CD1-CG 3.8Å; F149-Q211 HydrophobicContact CE1-CB 4.03Å; F149-Q211 VanDerWaalsContact CE1-CD 3.46Å; F149-Q211 HydrophobicContact CE1-CG 3.46Å; F149-Q211 VanDerWaalsContact CE1-CG 3.46Å; F149-Q211 HydrophobicContact CE2-CB 4.1Å; F149-Q211 HydrophobicContact CE2-CG 4.28Å; F149-Q211 HydrophobicContact CG-CG 4.37Å; F149-Q211 HydrophobicContact CZ-CB 3.72Å; F149-Q211 HydrophobicContact CZ-CG 3.71Å; F149-Y214 AromaticContact CD2-CD2 3.54Å; F149-Y214 HydrophobicContact CD2-CD2 3.54Å; F149-Y214 HydrophobicContact CD2-CE2 4.49Å; F149-Y214 AromaticContact CD2-CG 3.9Å; F149-Y214 HydrophobicContact CD2-CG 3.9Å; F149-Y214 AromaticContact CE2-CD2 3.85Å; F149-Y214 HydrophobicContact CE2-CD2 3.85Å; F149-T449 WeakPolarHBondContact O-CB 3.37Å; F149-T449 VanDerWaalsContact O-CG2 3.32Å; F149-T449 WeakPolarHBondContact O-CG2 3.29Å |
| 150 | R | 89.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.4 | 172.7 | -55.7 | -50.8 | -66.4 | -154.1 | -10.3 | 114.1 | P146 R147 A148 V152 Y214 T215 G217 V218 S220 D237 T238 | P146-R150 WeakPolarHBondContact O-CG 3.25Å; P146-R150 PolarHBondContact O-N 3.35Å; P146-R150 VanDerWaalsContact O-N 3.08Å; R147-R150 CarbonylContact O-C 3.54Å; R147-R150 PolarHBondContact O-N 2.83Å; A148-R150 PolarHBondContact O-N 3.19Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 HydrophobicContact CB-CG2 4.06Å; R150-V152 PolarHBondContact O-N 2.65Å; R150-Y214 VanDerWaalsContact CD-O 3.27Å; R150-Y214 WeakPolarHBondContact CD-O 3.5Å; R150-Y214 PolarHBondContact NH1-O 3.44Å; R150-T215 PolarHBondContact NH1-O 3.41Å; R150-G217 PolarHBondContact NH1-O 3.43Å; R150-G217 PolarHBondContact NH2-O 2.86Å; R150-V218 PolarHBondContact NH2-O 3.43Å; R150-S220 WeakPolarHBondContact CD-OG 3.48Å; R150-S220 WeakPolarHBondContact CG-OG 3.28Å; R150-D237 IonicContact CZ-OD2 3.71Å; R150-D237 IonicContact NE-OD2 2.78Å; R150-D237 PolarHBondContact NE-OD2 2.88Å; R150-D237 IonicContact NH2-OD2 3.26Å; R150-D237 PolarHBondContact NH2-OD2 2.72Å; R150-T238 HydrophobicContact CB-CG2 3.83Å; R150-T238 HydrophobicContact CG-CG2 4.14Å |
| 151 | G | 87.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R147 A148 | R147-G151 PolarHBondContact O-N 3.46Å; A148-G151 PolarHBondContact O-N 3.45Å |
| 152 | V | 87.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | trans | -112 | 28.1 | -179.7 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | M142 R147 R150 P233 T235 T238 | M142-V152 HydrophobicContact SD-CG2 4.2Å; R147-V152 HydrophobicContact CB-CG2 3.8Å; R147-V152 HydrophobicContact CG-CG2 3.84Å; R147-V152 WeakPolarHBondContact O-CG2 3.34Å; R147-V152 PolarHBondContact O-N 3.39Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 HydrophobicContact CB-CG2 4.06Å; R150-V152 PolarHBondContact O-N 2.65Å; V152-P233 WeakPolarHBondContact CB-O 3.42Å; V152-T235 HydrophobicContact CG1-CG2 3.28Å; V152-T238 HydrophobicContact CG1-CG2 4.5Å; V152-T238 HydrophobicContact CG2-CG2 4.21Å | ||
| 153 | Q | 86.2 | Confident | 87 | Confident | 110 Ų | 110 | 29.2 Ų | 29.2 | 51% | 0.514 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 148.7 | -179.8 | 65.4 | -160.1 | 7.7 | 0 | 0 | 113.1 | A148 | A148-Q153 HydrophobicContact CB-CB 4.38Š|
| 154 | L | 87.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 29 Ų | 29 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -91.4 | 151.7 | 169.5 | -76.2 | 175.9 | 0 | 0 | 0 | 111.1 | V158 D159 V230 L232 | L154-V158 HydrophobicContact CD2-CG2 4.36Å; L154-D159 HydrophobicContact CB-CB 3.98Å; L154-D159 HydrophobicContact CD1-CB 4.11Å; L154-V230 HydrophobicContact CD1-CB 4.4Å; L154-V230 HydrophobicContact CD1-CG2 3.38Å; L154-L232 HydrophobicContact CD1-CB 3.9Å; L154-L232 HydrophobicContact CD2-CB 3.83Å; L154-L232 HydrophobicContact CG-CB 3.85Å |
| 155 | S | 88.2 | Confident | 86.4 | Confident | 63 Ų | 63 | 34 Ų | 34 | 44% | 0.441 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 136.7 | 167 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | S157 V158 D159 | S155-S157 PolarHBondContact O-N 3.34Å; S155-S157 PolarHBondContact OG-N 3.49Å; S155-S157 PolarHBondContact OG-OG 3.47Å; S155-V158 WeakPolarHBondContact O-CG2 2.82Å; S155-V158 PolarHBondContact O-N 2.88Å; S155-D159 PolarHBondContact O-N 3.25Å; S155-D159 VanDerWaalsContact O-N 3.09Å |
| 156 | P | 86.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.4 | 175.8 | -26.3 | 34.5 | 0 | 0 | 0 | 114.3 | V158 S178 L179 C182 | P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 3.33Å; P156-S178 WeakPolarHBondContact O-CB 3.46Å; P156-L179 HydrophobicContact CB-CD1 4.1Å; P156-L179 HydrophobicContact CG-CD1 4.44Å; P156-C182 HydrophobicContact CB-CB 4.23Å |
| 157 | S | 88.1 | Confident | 86.2 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.2 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | S155 P169 | S155-S157 PolarHBondContact O-N 3.34Å; S155-S157 PolarHBondContact OG-N 3.49Å; S155-S157 PolarHBondContact OG-OG 3.47Å; S157-P169 WeakPolarHBondContact O-CB 3.27Å |
| 158 | V | 89.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 43 Ų | 43 | 35% | 0.352 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -10.3 | -176.7 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | L154 S155 P156 Y167 P169 | L154-V158 HydrophobicContact CD2-CG2 4.36Å; S155-V158 WeakPolarHBondContact O-CG2 2.82Å; S155-V158 PolarHBondContact O-N 2.88Å; P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 3.33Å; V158-Y167 VanDerWaalsContact O-CE2 3.23Å; V158-Y167 WeakPolarHBondContact O-CE2 3.18Å; V158-Y167 PolarHBondContact O-OH 2.91Å; V158-P169 HydrophobicContact CG1-CB 4.35Å |
| 159 | D | 88.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -71.9 | 158.1 | 170 | -154.4 | -16.4 | 0 | 0 | 0 | 110.3 | K144 R147 L154 S155 R368 | K144-D159 WeakPolarHBondContact CE-OD2 3.18Å; R147-D159 IonicContact CZ-OD2 3.08Å; R147-D159 IonicContact NH2-OD2 2.73Å; R147-D159 PolarHBondContact NH2-OD2 3.08Å; L154-D159 HydrophobicContact CB-CB 3.98Å; L154-D159 HydrophobicContact CD1-CB 4.11Å; S155-D159 PolarHBondContact O-N 3.25Å; S155-D159 VanDerWaalsContact O-N 3.09Å; D159-R368 IonicContact OD1-CZ 3.54Å; D159-R368 IonicContact OD1-NH1 2.73Å; D159-R368 PolarHBondContact OD1-NH1 3.41Å; D159-R368 VanDerWaalsContact OD1-NH1 3.13Å; D159-R368 IonicContact OD1-NH2 3.97Å; D159-R368 PolarHBondContact OD1-NH2 2.9Å |
| 160 | I | 87.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 139.1 | 172.6 | 51.1 | 169.7 | 0 | 0 | 0 | 110 | Y167 V230 R368 M371 L372 M375 | I160-Y167 HydrophobicContact CB-CD2 4.38Å; I160-Y167 HydrophobicContact CG2-CD2 3.32Å; I160-Y167 HydrophobicContact CG2-CE2 3.69Å; I160-Y167 HydrophobicContact CG2-CG 3.87Å; I160-V230 HydrophobicContact CG1-CG1 4.41Å; I160-V230 HydrophobicContact CG2-CG1 3.57Å; I160-R368 HydrophobicContact CD1-CG 3.36Å; I160-R368 HydrophobicContact CG1-CG 4.21Å; I160-R368 VanDerWaalsContact CG1-NH1 3.26Å; I160-M371 HydrophobicContact CB-CG 4.09Å; I160-M371 HydrophobicContact CD1-CG 4.28Å; I160-M371 HydrophobicContact CG2-CG 4.03Å; I160-L372 HydrophobicContact CD1-CD1 4.33Å; I160-L372 HydrophobicContact CD1-CD2 3.61Å; I160-L372 HydrophobicContact CD1-CG 3.69Å; I160-M375 HydrophobicContact CG2-SD 4.06Å |
| 161 | S | 84.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 126.8 | 160.5 | 169.1 | 0 | 0 | 0 | 0 | 109.2 | N163 A164 N181 | S161-N163 PolarHBondContact O-N 3.17Å; S161-N163 VanDerWaalsContact O-N 3.16Å; S161-N163 PolarHBondContact OG-N 3.35Å; S161-N163 VanDerWaalsContact OG-N 3.09Å; S161-A164 PolarHBondContact O-N 3.16Å; S161-A164 PolarHBondContact OG-N 3.33Å; S161-N181 WeakPolarHBondContact OG-CB 3.28Å; S161-N181 PolarHBondContact OG-ND2 3.06Å |
| 162 | A | 81.3 | Confident | 86.9 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P367 R368 R381 | A162-P367 HydrophobicContact CB-CB 4.11Å; A162-P367 WeakPolarHBondContact O-CB 3.27Å; A162-R368 HydrophobicContact CB-CB 4.41Å; A162-R381 PolarHBondContact O-NH1 3.22Å; A162-R381 PolarHBondContact O-NH2 3.3Å |
| 163 | N | 81.2 | Confident | 87 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.8 | -179.7 | -69.4 | -25.6 | 0 | 0 | 0 | 114.1 | S161 N181 | S161-N163 PolarHBondContact O-N 3.17Å; S161-N163 VanDerWaalsContact O-N 3.16Å; S161-N163 PolarHBondContact OG-N 3.35Å; S161-N163 VanDerWaalsContact OG-N 3.09Å; N163-N181 PolarHBondContact ND2-OD1 3.05Å |
| 164 | A | 81.7 | Confident | 87.1 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | trans | -73 | 151.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S161 M371 | S161-A164 PolarHBondContact O-N 3.16Å; S161-A164 PolarHBondContact OG-N 3.33Å; A164-M371 VanDerWaalsContact C-CE 3.44Å; A164-M371 HydrophobicContact CB-CE 3.81Å; A164-M371 WeakPolarHBondContact O-CE 3.45Å | ||
| 165 | D | 78.4 | Confident | 87.3 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -84.6 | -28.7 | 171.3 | -62.8 | -45 | 0 | 0 | 0 | 111.9 | ||
| 166 | V | 83.1 | Confident | 87.4 | Confident | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | trans | -140.7 | 137.3 | -176.7 | -177 | 0 | 0 | 0 | 0 | 110.7 | E168 | V166-E168 HydrophobicContact CG1-CB 4.39Š| ||
| 167 | Y | 87.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 26% | 0.259 | 35% | 0.347 | S | S | . | . | trans | -90.7 | 106.6 | 168.3 | 179.4 | -106.8 | 0 | 0 | 0 | 110.9 | V158 I160 P169 V230 M375 | V158-Y167 VanDerWaalsContact O-CE2 3.23Å; V158-Y167 WeakPolarHBondContact O-CE2 3.18Å; V158-Y167 PolarHBondContact O-OH 2.91Å; I160-Y167 HydrophobicContact CB-CD2 4.38Å; I160-Y167 HydrophobicContact CG2-CD2 3.32Å; I160-Y167 HydrophobicContact CG2-CE2 3.69Å; I160-Y167 HydrophobicContact CG2-CG 3.87Å; Y167-P169 HydrophobicContact CE1-CG 4.21Å; Y167-V230 HydrophobicContact CE2-CG1 4.34Å; Y167-M375 HydrophobicContact CD1-CG 3.8Å; Y167-M375 HydrophobicContact CD1-SD 3.41Å; Y167-M375 WeakPolarHBondContact CD1-SD 3.29Å; Y167-M375 HydrophobicContact CE1-SD 3.79Å; Y167-M375 HydrophobicContact CG-CG 4.25Å; Y167-M375 HydrophobicContact CG-SD 3.79Å | ||
| 168 | E | 91.2 | Very high | 87.4 | Confident | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | trans | -145.6 | 85 | 176.2 | -179.2 | 52.5 | -98.2 | 0 | 0 | 110.7 | V166 K170 R171 S174 | V166-E168 HydrophobicContact CG1-CB 4.39Å; E168-K170 PolarHBondContact O-N 3.45Å; E168-K170 VanDerWaalsContact O-N 3.1Å; E168-K170 WeakPolarHBondContact OE1-CB 3.41Å; E168-K170 PolarHBondContact OE1-N 2.97Å; E168-R171 HydrophobicContact CB-CG 4.42Å; E168-R171 HydrophobicContact CG-CB 4.05Å; E168-R171 HydrophobicContact CG-CG 3.58Å; E168-R171 PolarHBondContact O-N 3.48Å; E168-R171 VanDerWaalsContact O-N 3.08Å; E168-S174 WeakPolarHBondContact O-CB 3.49Å | ||
| 169 | P | 89.8 | Confident | 87.4 | Confident | 39 Ų | 39 | 67 Ų | 67 | 25% | 0.253 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.1 | -173.3 | 25.7 | -34.3 | 0 | 0 | 0 | 113.5 | S157 V158 Y167 R171 R175 | S157-P169 WeakPolarHBondContact O-CB 3.27Å; V158-P169 HydrophobicContact CG1-CB 4.35Å; Y167-P169 HydrophobicContact CE1-CG 4.21Å; P169-R171 VanDerWaalsContact C-N 3.35Å; P169-R175 VanDerWaalsContact O-CD 3.31Å; P169-R175 WeakPolarHBondContact O-CD 3.19Å; P169-R175 VanDerWaalsContact O-CG 3.32Å; P169-R175 WeakPolarHBondContact O-CG 3.05Å; P169-R175 PolarHBondContact O-NH1 2.89Å |
| 170 | K | 92.9 | Very high | 87.4 | Confident | 181 Ų | 181 | 70.8 Ų | 70.8 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -25.1 | 175.1 | -64.1 | -177.1 | 178.4 | 178.9 | 0 | 112.8 | E168 R175 | E168-K170 PolarHBondContact O-N 3.45Å; E168-K170 VanDerWaalsContact O-N 3.1Å; E168-K170 WeakPolarHBondContact OE1-CB 3.41Å; E168-K170 PolarHBondContact OE1-N 2.97Å; K170-R175 PolarHBondContact O-NH1 3.36Å |
| 171 | R | 92.3 | Very high | 87.4 | Confident | 163 Ų | 163 | 71.6 Ų | 71.6 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -82.1 | 129.8 | 179.7 | -73.9 | 176.7 | -173.7 | -173.5 | 1.9 | 111.3 | E168 P169 G173 S174 R175 | E168-R171 HydrophobicContact CB-CG 4.42Å; E168-R171 HydrophobicContact CG-CB 4.05Å; E168-R171 HydrophobicContact CG-CG 3.58Å; E168-R171 PolarHBondContact O-N 3.48Å; E168-R171 VanDerWaalsContact O-N 3.08Å; P169-R171 VanDerWaalsContact C-N 3.35Å; R171-G173 PolarHBondContact O-N 3.05Å; R171-S174 PolarHBondContact O-N 2.82Å; R171-R175 PolarHBondContact O-N 3.05Å; R171-R175 VanDerWaalsContact O-N 3.13Å |
| 172 | F | 92.7 | Very high | 87.5 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.8 | -46.1 | 177.1 | 175.3 | -96.1 | 0 | 0 | 0 | 112.4 | S174 R175 L176 | F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.28Å; F172-R175 WeakPolarHBondContact O-CB 3.34Å; F172-R175 PolarHBondContact O-N 3.39Å; F172-R175 VanDerWaalsContact O-N 3.08Å; F172-L176 HydrophobicContact CE1-CB 4.39Å; F172-L176 HydrophobicContact CE1-CD2 4.18Å; F172-L176 PolarHBondContact O-N 3.36Å |
| 173 | G | 88.1 | Confident | 87.9 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 45% | 0.454 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R171 R175 L176 M177 | R171-G173 PolarHBondContact O-N 3.05Å; G173-R175 PolarHBondContact O-N 2.72Å; G173-L176 PolarHBondContact O-N 2.98Å; G173-M177 WeakPolarHBondContact O-CG 3.32Å; G173-M177 PolarHBondContact O-N 3.13Å |
| 174 | S | 89.4 | Confident | 88.1 | Confident | 27 Ų | 27 | 78 Ų | 78 | 19% | 0.189 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | E168 R171 F172 S178 | E168-S174 WeakPolarHBondContact O-CB 3.49Å; R171-S174 PolarHBondContact O-N 2.82Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.27Å; S174-S178 PolarHBondContact O-N 2.93Å; S174-S178 PolarHBondContact O-OG 2.9Å |
| 175 | R | 91.5 | Very high | 88.3 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.1 | -66.9 | -166.3 | -63.1 | -91.6 | 3.3 | 112.5 | P169 K170 R171 F172 G173 S178 L179 | P169-R175 VanDerWaalsContact O-CD 3.31Å; P169-R175 WeakPolarHBondContact O-CD 3.19Å; P169-R175 VanDerWaalsContact O-CG 3.32Å; P169-R175 WeakPolarHBondContact O-CG 3.05Å; P169-R175 PolarHBondContact O-NH1 2.89Å; K170-R175 PolarHBondContact O-NH1 3.36Å; R171-R175 PolarHBondContact O-N 3.05Å; R171-R175 VanDerWaalsContact O-N 3.13Å; F172-R175 WeakPolarHBondContact O-CB 3.34Å; F172-R175 PolarHBondContact O-N 3.39Å; F172-R175 VanDerWaalsContact O-N 3.08Å; G173-R175 PolarHBondContact O-N 2.72Å; R175-S178 PolarHBondContact O-N 3.46Å; R175-L179 WeakPolarHBondContact O-CB 3.46Å; R175-L179 PolarHBondContact O-N 3.49Å |
| 176 | L | 89.5 | Confident | 88.7 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 177.1 | 177.4 | 61.4 | 0 | 0 | 0 | 110.8 | F172 G173 S178 L179 L180 | F172-L176 HydrophobicContact CE1-CB 4.39Å; F172-L176 HydrophobicContact CE1-CD2 4.18Å; F172-L176 PolarHBondContact O-N 3.36Å; G173-L176 PolarHBondContact O-N 2.98Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.42Å; L176-L179 PolarHBondContact O-N 3.45Å; L176-L180 HydrophobicContact CD1-CD1 4.45Å; L176-L180 HydrophobicContact CD1-CG 4.45Å; L176-L180 HydrophobicContact CG-CD1 4.34Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.03Å |
| 177 | M | 86.7 | Confident | 89 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 177.2 | -67.3 | -51.9 | -61 | 0 | 0 | 112.2 | G173 L180 N181 | G173-M177 WeakPolarHBondContact O-CG 3.32Å; G173-M177 PolarHBondContact O-N 3.13Å; M177-L180 PolarHBondContact O-N 3.23Å; M177-L180 HydrophobicContact SD-CD1 4.24Å; M177-N181 WeakPolarHBondContact O-CB 3.46Å; M177-N181 PolarHBondContact O-N 2.84Å; M177-N181 PolarHBondContact O-ND2 3.04Å |
| 178 | S | 89.1 | Confident | 89 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | P156 S174 R175 L176 C182 | P156-S178 WeakPolarHBondContact O-CB 3.46Å; S174-S178 WeakPolarHBondContact O-CB 3.27Å; S174-S178 PolarHBondContact O-N 2.93Å; S174-S178 PolarHBondContact O-OG 2.9Å; R175-S178 PolarHBondContact O-N 3.46Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.42Å; S178-C182 VanDerWaalsContact O-CB 3.25Å; S178-C182 WeakPolarHBondContact O-CB 3.33Å; S178-C182 PolarHBondContact O-N 2.93Å |
| 179 | L | 89.3 | Confident | 88.9 | Confident | 78 Ų | 78 | 72.4 Ų | 72.4 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 173.9 | 178.7 | 61.5 | 0 | 0 | 0 | 112 | P156 R175 L176 N181 C182 I183 | P156-L179 HydrophobicContact CB-CD1 4.1Å; P156-L179 HydrophobicContact CG-CD1 4.44Å; R175-L179 WeakPolarHBondContact O-CB 3.46Å; R175-L179 PolarHBondContact O-N 3.49Å; L176-L179 PolarHBondContact O-N 3.45Å; L179-N181 PolarHBondContact O-N 2.88Å; L179-C182 WeakPolarHBondContact O-CB 3.43Å; L179-C182 PolarHBondContact O-N 3.12Å; L179-C182 VanDerWaalsContact O-N 3.12Å; L179-I183 HydrophobicContact CD1-CD1 4.36Å; L179-I183 HydrophobicContact CD1-CG1 4.48Å; L179-I183 HydrophobicContact CG-CD1 4.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.36Å; L179-I183 PolarHBondContact O-N 3.26Å |
| 180 | L | 88.5 | Confident | 88.8 | Confident | 88 Ų | 88 | 74 Ų | 74 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 178.5 | -69.6 | 174.5 | 0 | 0 | 0 | 111.7 | L176 M177 C182 I183 E184 | L176-L180 HydrophobicContact CD1-CD1 4.45Å; L176-L180 HydrophobicContact CD1-CG 4.45Å; L176-L180 HydrophobicContact CG-CD1 4.34Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.03Å; M177-L180 PolarHBondContact O-N 3.23Å; M177-L180 HydrophobicContact SD-CD1 4.24Å; L180-C182 VanDerWaalsContact C-N 3.27Å; L180-C182 PolarHBondContact O-N 3.22Å; L180-I183 PolarHBondContact O-N 3.37Å; L180-E184 PolarHBondContact O-N 3.22Å |
| 181 | N | 86.7 | Confident | 88.7 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 175 | -73.2 | -62.6 | 0 | 0 | 0 | 112 | S161 N163 M177 L179 E184 E185 | S161-N181 WeakPolarHBondContact OG-CB 3.28Å; S161-N181 PolarHBondContact OG-ND2 3.06Å; N163-N181 PolarHBondContact ND2-OD1 3.05Å; M177-N181 WeakPolarHBondContact O-CB 3.46Å; M177-N181 PolarHBondContact O-N 2.84Å; M177-N181 PolarHBondContact O-ND2 3.04Å; L179-N181 PolarHBondContact O-N 2.88Å; N181-E184 PolarHBondContact O-N 3.01Å; N181-E185 VanDerWaalsContact O-CB 3.25Å; N181-E185 WeakPolarHBondContact O-CB 3.15Å; N181-E185 PolarHBondContact O-N 3.42Å |
| 182 | C | 87.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 175 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | P156 S178 L179 L180 L186 | P156-C182 HydrophobicContact CB-CB 4.23Å; S178-C182 VanDerWaalsContact O-CB 3.25Å; S178-C182 WeakPolarHBondContact O-CB 3.33Å; S178-C182 PolarHBondContact O-N 2.93Å; L179-C182 WeakPolarHBondContact O-CB 3.43Å; L179-C182 PolarHBondContact O-N 3.12Å; L179-C182 VanDerWaalsContact O-N 3.12Å; L180-C182 VanDerWaalsContact C-N 3.27Å; L180-C182 PolarHBondContact O-N 3.22Å; C182-L186 VanDerWaalsContact O-CB 3.28Å; C182-L186 WeakPolarHBondContact O-CB 3.34Å; C182-L186 PolarHBondContact O-N 2.83Å |
| 183 | I | 88.4 | Confident | 88.5 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 175.5 | -67.2 | 167.9 | 0 | 0 | 0 | 110.2 | L179 L180 L186 A187 | L179-I183 HydrophobicContact CD1-CD1 4.36Å; L179-I183 HydrophobicContact CD1-CG1 4.48Å; L179-I183 HydrophobicContact CG-CD1 4.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.36Å; L179-I183 PolarHBondContact O-N 3.26Å; L180-I183 PolarHBondContact O-N 3.37Å; I183-L186 PolarHBondContact O-N 3.12Å; I183-A187 WeakPolarHBondContact O-CB 3.47Å; I183-A187 PolarHBondContact O-N 3.22Å |
| 184 | E | 85.7 | Confident | 88.6 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.5 | -175.9 | -178.2 | 178.4 | 0 | 0 | 111.5 | L180 N181 L186 A187 F188 | L180-E184 PolarHBondContact O-N 3.22Å; N181-E184 PolarHBondContact O-N 3.01Å; E184-L186 PolarHBondContact O-N 3.44Å; E184-A187 PolarHBondContact O-N 2.9Å; E184-F188 WeakPolarHBondContact O-CB 3.36Å; E184-F188 PolarHBondContact O-N 3.03Å |
| 185 | E | 86.3 | Confident | 88.6 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 178.1 | -175.1 | -179 | 163 | 0 | 0 | 111.7 | K144 N181 F188 W189 | K144-E185 WeakPolarHBondContact CD-OE1 3.48Å; K144-E185 WeakPolarHBondContact CD-OE2 3.43Å; K144-E185 WeakPolarHBondContact CE-OE2 3.22Å; K144-E185 IonicContact NZ-OE2 3.44Å; K144-E185 PolarHBondContact NZ-OE2 3.45Å; N181-E185 VanDerWaalsContact O-CB 3.25Å; N181-E185 WeakPolarHBondContact O-CB 3.15Å; N181-E185 PolarHBondContact O-N 3.42Å; E185-F188 PolarHBondContact O-N 3.08Å; E185-W189 PolarHBondContact O-N 3.45Å |
| 186 | L | 86.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 48% | 0.482 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.9 | -178.9 | 64.1 | 0 | 0 | 0 | 111.5 | L145 C182 I183 E184 F188 W189 V190 | L145-L186 HydrophobicContact CD1-CD1 4.1Å; C182-L186 VanDerWaalsContact O-CB 3.28Å; C182-L186 WeakPolarHBondContact O-CB 3.34Å; C182-L186 PolarHBondContact O-N 2.83Å; I183-L186 PolarHBondContact O-N 3.12Å; E184-L186 PolarHBondContact O-N 3.44Å; L186-F188 VanDerWaalsContact C-N 3.32Å; L186-F188 PolarHBondContact O-N 3.32Å; L186-W189 PolarHBondContact O-N 3.2Å; L186-V190 HydrophobicContact CD1-CG2 4.36Å; L186-V190 VanDerWaalsContact O-CG2 3.31Å; L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 3.46Å |
| 187 | A | 89 | Confident | 88.5 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | I183 E184 V190 L191 | I183-A187 WeakPolarHBondContact O-CB 3.47Å; I183-A187 PolarHBondContact O-N 3.22Å; E184-A187 PolarHBondContact O-N 2.9Å; A187-V190 PolarHBondContact O-N 3.17Å; A187-L191 WeakPolarHBondContact O-CB 3.37Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 2.97Å |
| 188 | F | 87.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 173.8 | 169.2 | -108.2 | 0 | 0 | 0 | 112.3 | I73 L78 E184 E185 L186 V190 L191 I192 | I73-F188 HydrophobicContact CB-CD2 4.24Å; I73-F188 HydrophobicContact CD1-CB 3.41Å; I73-F188 VanDerWaalsContact CD1-CB 3.41Å; I73-F188 HydrophobicContact CD1-CD1 3.85Å; I73-F188 HydrophobicContact CD1-CD2 3.98Å; I73-F188 HydrophobicContact CD1-CG 3.46Å; I73-F188 VanDerWaalsContact CD1-CG 3.46Å; I73-F188 HydrophobicContact CG2-CD2 3.38Å; I73-F188 HydrophobicContact CG2-CE1 4.46Å; I73-F188 HydrophobicContact CG2-CE2 3.31Å; I73-F188 HydrophobicContact CG2-CG 4.01Å; I73-F188 HydrophobicContact CG2-CZ 3.88Å; L78-F188 HydrophobicContact CB-CE2 4.36Å; L78-F188 HydrophobicContact CD1-CD2 4.42Å; E184-F188 WeakPolarHBondContact O-CB 3.36Å; E184-F188 PolarHBondContact O-N 3.03Å; E185-F188 PolarHBondContact O-N 3.08Å; L186-F188 VanDerWaalsContact C-N 3.32Å; L186-F188 PolarHBondContact O-N 3.32Å; F188-V190 VanDerWaalsContact C-N 3.31Å; F188-V190 PolarHBondContact O-N 2.78Å; F188-L191 PolarHBondContact O-N 2.73Å; F188-I192 HydrophobicContact CE1-CD1 4.42Å; F188-I192 HydrophobicContact CE2-CB 4.41Å; F188-I192 HydrophobicContact CE2-CD1 4.24Å; F188-I192 HydrophobicContact CZ-CB 4.48Å; F188-I192 HydrophobicContact CZ-CD1 3.75Å; F188-I192 WeakPolarHBondContact O-CG2 3.29Å; F188-I192 PolarHBondContact O-N 3.38Å |
| 189 | W | 87.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -34.2 | -179.6 | -74.5 | 119.8 | 0 | 0 | 0 | 113.1 | L117 M143 L145 E185 L186 I192 N193 | L117-W189 HydrophobicContact CD1-CH2 4.32Å; M143-W189 HydrophobicContact CE-CH2 3.8Å; M143-W189 HydrophobicContact CE-CZ2 3.82Å; M143-W189 HydrophobicContact SD-CH2 3.37Å; M143-W189 WeakPolarHBondContact SD-CH2 3.32Å; M143-W189 HydrophobicContact SD-CZ2 3.2Å; M143-W189 WeakPolarHBondContact SD-CZ2 3.34Å; M143-W189 HydrophobicContact SD-CZ3 4.29Å; L145-W189 HydrophobicContact CD2-CB 3.95Å; E185-W189 PolarHBondContact O-N 3.45Å; L186-W189 PolarHBondContact O-N 3.2Å; W189-I192 HydrophobicContact CD2-CG2 4.44Å; W189-I192 HydrophobicContact CE3-CG2 3.53Å; W189-I192 HydrophobicContact CZ3-CG2 4.02Å; W189-I192 WeakPolarHBondContact O-CG2 3.45Å; W189-N193 WeakPolarHBondContact O-CB 3.39Å; W189-N193 PolarHBondContact O-N 3.48Å; W189-N193 VanDerWaalsContact O-N 3.16Å; W189-N193 PolarHBondContact O-ND2 3.44Å |
| 190 | V | 89.1 | Confident | 88.4 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 173.3 | 169 | 0 | 0 | 0 | 0 | 110.6 | L186 A187 F188 T194 | L186-V190 HydrophobicContact CD1-CG2 4.36Å; L186-V190 VanDerWaalsContact O-CG2 3.31Å; L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 3.46Å; A187-V190 PolarHBondContact O-N 3.17Å; F188-V190 VanDerWaalsContact C-N 3.31Å; F188-V190 PolarHBondContact O-N 2.78Å; V190-T194 WeakPolarHBondContact O-CB 3.33Å; V190-T194 PolarHBondContact O-N 3.02Å; V190-T194 PolarHBondContact O-OG1 2.81Å |
| 191 | L | 90.9 | Very high | 87.7 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 48% | 0.482 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67 | -47.4 | -178.3 | -70 | 170.5 | 0 | 0 | 0 | 112.1 | L78 A187 F188 N193 T194 L195 | L78-L191 HydrophobicContact CD1-CB 3.53Å; L78-L191 HydrophobicContact CD2-CB 4.43Å; L78-L191 HydrophobicContact CD2-CD1 4.44Å; A187-L191 WeakPolarHBondContact O-CB 3.37Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.42Å; A187-L191 PolarHBondContact O-N 2.97Å; F188-L191 PolarHBondContact O-N 2.73Å; L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 2.96Å; L191-T194 PolarHBondContact O-N 3.36Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.23Å |
| 192 | I | 89.1 | Confident | 86.7 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 179.8 | -164.6 | 175.5 | 0 | 0 | 0 | 111.3 | L78 G81 F118 F188 W189 L195 M196 | L78-I192 HydrophobicContact CD1-CB 4.04Å; G81-I192 VanDerWaalsContact CA-CG1 3.48Å; F118-I192 HydrophobicContact CE1-CD1 4.29Å; F188-I192 HydrophobicContact CE1-CD1 4.42Å; F188-I192 HydrophobicContact CE2-CB 4.41Å; F188-I192 HydrophobicContact CE2-CD1 4.24Å; F188-I192 HydrophobicContact CZ-CB 4.48Å; F188-I192 HydrophobicContact CZ-CD1 3.75Å; F188-I192 WeakPolarHBondContact O-CG2 3.29Å; F188-I192 PolarHBondContact O-N 3.38Å; W189-I192 HydrophobicContact CD2-CG2 4.44Å; W189-I192 HydrophobicContact CE3-CG2 3.53Å; W189-I192 HydrophobicContact CZ3-CG2 4.02Å; W189-I192 WeakPolarHBondContact O-CG2 3.45Å; I192-L195 PolarHBondContact O-N 2.92Å; I192-M196 WeakPolarHBondContact O-CB 3.24Å; I192-M196 PolarHBondContact O-N 3.32Å |
| 193 | N | 90.4 | Very high | 85.7 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.7 | -71.2 | -22.1 | 0 | 0 | 0 | 111 | L145 W189 L191 M196 E197 V210 | L145-N193 VanDerWaalsContact CD2-ND2 3.27Å; L145-N193 WeakPolarHBondContact CD2-ND2 3.26Å; W189-N193 WeakPolarHBondContact O-CB 3.39Å; W189-N193 PolarHBondContact O-N 3.48Å; W189-N193 VanDerWaalsContact O-N 3.16Å; W189-N193 PolarHBondContact O-ND2 3.44Å; L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 2.96Å; N193-M196 PolarHBondContact O-N 3.19Å; N193-E197 VanDerWaalsContact O-CB 3.27Å; N193-E197 WeakPolarHBondContact O-CB 3.31Å; N193-E197 WeakPolarHBondContact O-CG 3.23Å; N193-E197 PolarHBondContact O-N 2.7Å; N193-V210 HydrophobicContact CB-CB 4.24Å; N193-V210 HydrophobicContact CB-CG1 4.45Å; N193-V210 HydrophobicContact CB-CG2 4.13Å |
| 194 | T | 90.1 | Very high | 84.5 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | V190 L191 E197 T198 | V190-T194 WeakPolarHBondContact O-CB 3.33Å; V190-T194 PolarHBondContact O-N 3.02Å; V190-T194 PolarHBondContact O-OG1 2.81Å; L191-T194 PolarHBondContact O-N 3.36Å; T194-E197 PolarHBondContact O-N 3.4Å; T194-T198 HydrophobicContact CG2-CG2 4.32Å; T194-T198 WeakPolarHBondContact O-CB 3.33Å; T194-T198 VanDerWaalsContact O-CG2 3.25Å; T194-T198 WeakPolarHBondContact O-CG2 3.04Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 2.98Å |
| 195 | L | 90 | Very high | 83.6 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.9 | -71.5 | 174.1 | 0 | 0 | 0 | 111.8 | L78 W82 L191 I192 T198 R199 | L78-L195 HydrophobicContact CD1-CD1 3.69Å; L78-L195 HydrophobicContact CD2-CD1 4.25Å; L78-L195 HydrophobicContact CG-CD1 3.63Å; W82-L195 HydrophobicContact CB-CB 4.24Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.23Å; I192-L195 PolarHBondContact O-N 2.92Å; L195-T198 PolarHBondContact O-OG1 3.49Å; L195-T198 VanDerWaalsContact O-OG1 3.12Å; L195-R199 VanDerWaalsContact O-CB 3.29Å; L195-R199 WeakPolarHBondContact O-CB 3.31Å; L195-R199 PolarHBondContact O-N 3.4Å |
| 196 | M | 89.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.6 | -173.3 | 173.4 | 61.9 | 0 | 0 | 112.1 | G81 P120 M123 I192 N193 R199 A200 W208 V210 | G81-M196 WeakPolarHBondContact O-CA 3.39Å; G81-M196 WeakPolarHBondContact O-CB 3.23Å; P120-M196 HydrophobicContact CB-CG 3.67Å; P120-M196 HydrophobicContact CB-SD 3.68Å; P120-M196 HydrophobicContact CG-CG 4.06Å; P120-M196 HydrophobicContact CG-SD 3.89Å; M123-M196 HydrophobicContact SD-CE 3.82Å; I192-M196 WeakPolarHBondContact O-CB 3.24Å; I192-M196 PolarHBondContact O-N 3.32Å; N193-M196 PolarHBondContact O-N 3.19Å; M196-R199 PolarHBondContact O-N 3.03Å; M196-A200 VanDerWaalsContact O-CB 3.3Å; M196-A200 WeakPolarHBondContact O-CB 3.27Å; M196-A200 PolarHBondContact O-N 3.32Å; M196-W208 HydrophobicContact CE-CH2 4.2Å; M196-W208 HydrophobicContact CG-CH2 4.38Å; M196-V210 HydrophobicContact CE-CG2 3.36Å |
| 197 | E | 89.6 | Confident | 82.5 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -59.2 | 175.9 | -76.6 | 172.7 | -173.5 | 0 | 0 | 110.2 | N193 T194 R199 A200 E201 W208 R209 V210 | N193-E197 VanDerWaalsContact O-CB 3.27Å; N193-E197 WeakPolarHBondContact O-CB 3.31Å; N193-E197 WeakPolarHBondContact O-CG 3.23Å; N193-E197 PolarHBondContact O-N 2.7Å; T194-E197 PolarHBondContact O-N 3.4Å; E197-R199 VanDerWaalsContact C-N 3.3Å; E197-R199 PolarHBondContact O-N 2.81Å; E197-A200 PolarHBondContact O-N 3.09Å; E197-E201 WeakPolarHBondContact O-CG 3.41Å; E197-E201 PolarHBondContact O-N 3.28Å; E197-W208 HydrophobicContact CB-CZ2 4.41Å; E197-W208 HydrophobicContact CG-CH2 4.33Å; E197-W208 HydrophobicContact CG-CZ2 4.16Å; E197-W208 PolarHBondContact O-NE1 3.35Å; E197-R209 WeakPolarHBondContact OE1-CA 3.45Å; E197-R209 IonicContact OE1-NE 2.76Å; E197-R209 WeakPolarHBondContact OE2-CD 3.36Å; E197-R209 IonicContact OE2-NE 2.82Å; E197-R209 PolarHBondContact OE2-NE 3.15Å; E197-R209 VanDerWaalsContact OE2-NE 3.12Å; E197-V210 HydrophobicContact CG-CG2 3.84Å; E197-V210 WeakPolarHBondContact OE1-CB 3.34Å; E197-V210 PolarHBondContact OE1-N 3.26Å |
| 198 | T | 88.8 | Confident | 82.4 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | -177.1 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | T194 L195 | T194-T198 HydrophobicContact CG2-CG2 4.32Å; T194-T198 WeakPolarHBondContact O-CB 3.33Å; T194-T198 VanDerWaalsContact O-CG2 3.25Å; T194-T198 WeakPolarHBondContact O-CG2 3.04Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 2.98Å; L195-T198 PolarHBondContact O-OG1 3.49Å; L195-T198 VanDerWaalsContact O-OG1 3.12Å |
| 199 | R | 87 | Confident | 82.5 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.7 | -30.2 | 179.3 | -165.2 | 65.4 | -168.6 | 145.2 | -4.6 | 113 | E86 L195 M196 E197 | E86-R199 HydrophobicContact CB-CG 3.74Å; E86-R199 VanDerWaalsContact CD-NE 3.32Å; E86-R199 IonicContact OE1-CZ 3.67Å; E86-R199 IonicContact OE1-NE 3.84Å; E86-R199 IonicContact OE1-NH2 2.71Å; E86-R199 PolarHBondContact OE1-NH2 3.35Å; E86-R199 IonicContact OE2-CZ 2.96Å; E86-R199 IonicContact OE2-NE 2.69Å; E86-R199 PolarHBondContact OE2-NE 3.29Å; E86-R199 IonicContact OE2-NH2 3.8Å; E86-R199 PolarHBondContact OE2-NH2 3.48Å; L195-R199 VanDerWaalsContact O-CB 3.29Å; L195-R199 WeakPolarHBondContact O-CB 3.31Å; L195-R199 PolarHBondContact O-N 3.4Å; M196-R199 PolarHBondContact O-N 3.03Å; E197-R199 VanDerWaalsContact C-N 3.3Å; E197-R199 PolarHBondContact O-N 2.81Å |
| 200 | A | 86.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -86 | -9.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V124 M196 E197 G202 I203 W208 | V124-A200 HydrophobicContact CG2-CB 3.8Å; M196-A200 VanDerWaalsContact O-CB 3.3Å; M196-A200 WeakPolarHBondContact O-CB 3.27Å; M196-A200 PolarHBondContact O-N 3.32Å; E197-A200 PolarHBondContact O-N 3.09Å; A200-G202 PolarHBondContact O-N 2.73Å; A200-I203 HydrophobicContact CB-CD1 4.27Å; A200-I203 WeakPolarHBondContact O-CB 3.36Å; A200-I203 VanDerWaalsContact O-CG1 3.31Å; A200-I203 WeakPolarHBondContact O-CG1 3.46Å; A200-I203 PolarHBondContact O-N 3.32Å; A200-I203 VanDerWaalsContact O-N 3.12Å; A200-W208 HydrophobicContact CB-CZ2 3.74Å |
| 201 | E | 74.5 | Confident | 82.6 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.4 | 176.9 | -85.8 | -179.2 | 173.9 | 0 | 0 | 114.1 | E197 I203 | E197-E201 WeakPolarHBondContact O-CG 3.41Å; E197-E201 PolarHBondContact O-N 3.28Å; E201-I203 PolarHBondContact O-N 3.06Å |
| 202 | G | 65.7 | Low | 82.6 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -0.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A200 | A200-G202 PolarHBondContact O-N 2.73Š|
| 203 | I | 65.8 | Low | 82.8 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -80.3 | 142 | 171.5 | -60.2 | 170.7 | 0 | 0 | 0 | 107.4 | C88 W92 V124 A200 E201 F205 | C88-I203 VanDerWaalsContact SG-CD1 3.54Å; W92-I203 HydrophobicContact CB-CG1 4.26Å; W92-I203 HydrophobicContact CD2-CG2 3.81Å; W92-I203 HydrophobicContact CE3-CG2 4.05Å; W92-I203 HydrophobicContact CG-CG1 4.27Å; W92-I203 HydrophobicContact CG-CG2 4.12Å; V124-I203 HydrophobicContact CB-CD1 4.33Å; V124-I203 HydrophobicContact CG1-CB 4.22Å; V124-I203 HydrophobicContact CG1-CD1 3.98Å; V124-I203 HydrophobicContact CG1-CG2 4.04Å; V124-I203 HydrophobicContact CG2-CD1 4.17Å; A200-I203 HydrophobicContact CB-CD1 4.27Å; A200-I203 WeakPolarHBondContact O-CB 3.36Å; A200-I203 VanDerWaalsContact O-CG1 3.31Å; A200-I203 WeakPolarHBondContact O-CG1 3.46Å; A200-I203 PolarHBondContact O-N 3.32Å; A200-I203 VanDerWaalsContact O-N 3.12Å; E201-I203 PolarHBondContact O-N 3.06Å; I203-F205 HydrophobicContact CG2-CD2 3.58Å; I203-F205 HydrophobicContact CG2-CE2 3.81Å; I203-F205 PolarHBondContact O-N 2.68Å |
| 204 | P | 63.9 | Low | 82.9 | Confident | 93 Ų | 93 | 53 Ų | 53 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 7.2 | -165.6 | 21.9 | -35.5 | 0 | 0 | 0 | 117.6 | W92 | W92-P204 VanDerWaalsContact CE2-CD 3.41Å; W92-P204 HydrophobicContact CH2-CG 4.33Å; W92-P204 HydrophobicContact CZ2-CG 3.36Å |
| 205 | F | 66.3 | Low | 82.9 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 2.6 | -177.3 | -52.3 | -77.9 | 0 | 0 | 0 | 115.1 | W92 T105 V124 L125 A128 I203 | W92-F205 AromaticContact CH2-CE2 3.74Å; W92-F205 HydrophobicContact CH2-CE2 3.74Å; W92-F205 AromaticContact CH2-CZ 3.93Å; W92-F205 HydrophobicContact CH2-CZ 3.93Å; W92-F205 HydrophobicContact CZ2-CE2 4.25Å; W92-F205 HydrophobicContact CZ3-CE2 4.07Å; T105-F205 HydrophobicContact CG2-CE1 4.46Å; T105-F205 HydrophobicContact CG2-CE2 4.49Å; T105-F205 HydrophobicContact CG2-CZ 3.65Å; V124-F205 HydrophobicContact CG1-CD2 4.43Å; L125-F205 HydrophobicContact CD2-CD2 4.31Å; L125-F205 HydrophobicContact CD2-CE2 3.51Å; L125-F205 HydrophobicContact CD2-CZ 4.14Å; A128-F205 HydrophobicContact CB-CB 3.21Å; A128-F205 HydrophobicContact CB-CD1 4.26Å; A128-F205 HydrophobicContact CB-CD2 4.33Å; A128-F205 HydrophobicContact CB-CG 3.71Å; I203-F205 HydrophobicContact CG2-CD2 3.58Å; I203-F205 HydrophobicContact CG2-CE2 3.81Å; I203-F205 PolarHBondContact O-N 2.68Å |
| 206 | G | 71.6 | Confident | 83 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | trans | 73.6 | -148.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 207 | K | 79.7 | Confident | 83.2 | Confident | 180 Ų | 180 | 51.7 Ų | 51.7 | 78% | 0.783 | 27% | 0.272 | S | S | * | . | trans | -74 | 131.5 | -176 | -67.6 | -167.5 | 173.8 | -173 | 0 | 111.5 | ||||
| 208 | W | 86.5 | Confident | 83.4 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | trans | -131.8 | 159.8 | 175.4 | 69.1 | -74.8 | 0 | 0 | 0 | 108.7 | P120 M123 V124 M196 E197 A200 V210 | P120-W208 HydrophobicContact CB-CH2 4.47Å; M123-W208 HydrophobicContact CB-CE3 4.43Å; M123-W208 HydrophobicContact CB-CH2 4.2Å; M123-W208 HydrophobicContact CB-CZ3 3.64Å; M123-W208 HydrophobicContact SD-CZ3 4.49Å; V124-W208 HydrophobicContact CB-CD2 4.31Å; V124-W208 HydrophobicContact CG1-CG 4.47Å; V124-W208 HydrophobicContact CG2-CD2 3.6Å; V124-W208 HydrophobicContact CG2-CE3 4.07Å; V124-W208 HydrophobicContact CG2-CG 4.13Å; V124-W208 HydrophobicContact CG2-CH2 3.88Å; V124-W208 HydrophobicContact CG2-CZ2 3.4Å; V124-W208 HydrophobicContact CG2-CZ3 4.19Å; M196-W208 HydrophobicContact CE-CH2 4.2Å; M196-W208 HydrophobicContact CG-CH2 4.38Å; E197-W208 HydrophobicContact CB-CZ2 4.41Å; E197-W208 HydrophobicContact CG-CH2 4.33Å; E197-W208 HydrophobicContact CG-CZ2 4.16Å; E197-W208 PolarHBondContact O-NE1 3.35Å; A200-W208 HydrophobicContact CB-CZ2 3.74Å; W208-V210 HydrophobicContact CH2-CG2 3.66Å; W208-V210 HydrophobicContact CZ3-CB 4.43Å; W208-V210 HydrophobicContact CZ3-CG2 3.53Å | ||
| 209 | R | 88.9 | Confident | 83.7 | Confident | 137 Ų | 137 | 47.7 Ų | 47.7 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | trans | -129.2 | 136.9 | 176.7 | -57 | -64.2 | -73.9 | -81.3 | -3.4 | 110.2 | E197 Q211 D212 F213 | E197-R209 WeakPolarHBondContact OE1-CA 3.45Å; E197-R209 IonicContact OE1-NE 2.76Å; E197-R209 WeakPolarHBondContact OE2-CD 3.36Å; E197-R209 IonicContact OE2-NE 2.82Å; E197-R209 PolarHBondContact OE2-NE 3.15Å; E197-R209 VanDerWaalsContact OE2-NE 3.12Å; R209-Q211 HydrophobicContact CB-CB 4.45Å; R209-Q211 PolarHBondContact O-N 3.1Å; R209-D212 WeakPolarHBondContact O-CB 3.48Å; R209-D212 PolarHBondContact O-N 3.32Å; R209-F213 PolarHBondContact O-N 3.27Å | ||
| 210 | V | 90.4 | Very high | 84 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -32.8 | 172.4 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | M123 N193 M196 E197 W208 D212 F213 Y214 | M123-V210 HydrophobicContact SD-CG2 4.43Å; N193-V210 HydrophobicContact CB-CB 4.24Å; N193-V210 HydrophobicContact CB-CG1 4.45Å; N193-V210 HydrophobicContact CB-CG2 4.13Å; M196-V210 HydrophobicContact CE-CG2 3.36Å; E197-V210 HydrophobicContact CG-CG2 3.84Å; E197-V210 WeakPolarHBondContact OE1-CB 3.34Å; E197-V210 PolarHBondContact OE1-N 3.26Å; W208-V210 HydrophobicContact CH2-CG2 3.66Å; W208-V210 HydrophobicContact CZ3-CB 4.43Å; W208-V210 HydrophobicContact CZ3-CG2 3.53Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.96Å; V210-F213 WeakPolarHBondContact O-CB 3.33Å; V210-F213 PolarHBondContact O-N 2.66Å; V210-Y214 HydrophobicContact CG1-CD2 3.9Å; V210-Y214 HydrophobicContact CG1-CE2 3.33Å; V210-Y214 WeakPolarHBondContact O-CD2 3.39Å; V210-Y214 PolarHBondContact O-N 3.42Å |
| 211 | Q | 90.1 | Very high | 84.3 | Confident | 89 Ų | 89 | 44.1 Ų | 44.1 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.5 | -39.4 | 172.9 | 174.7 | 170.5 | -5.9 | 0 | 0 | 113 | F149 R209 F213 Y214 T215 | F149-Q211 HydrophobicContact CD1-CG 3.8Å; F149-Q211 HydrophobicContact CE1-CB 4.03Å; F149-Q211 VanDerWaalsContact CE1-CD 3.46Å; F149-Q211 HydrophobicContact CE1-CG 3.46Å; F149-Q211 VanDerWaalsContact CE1-CG 3.46Å; F149-Q211 HydrophobicContact CE2-CB 4.1Å; F149-Q211 HydrophobicContact CE2-CG 4.28Å; F149-Q211 HydrophobicContact CG-CG 4.37Å; F149-Q211 HydrophobicContact CZ-CB 3.72Å; F149-Q211 HydrophobicContact CZ-CG 3.71Å; R209-Q211 HydrophobicContact CB-CB 4.45Å; R209-Q211 PolarHBondContact O-N 3.1Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 3.19Å; Q211-Y214 PolarHBondContact O-N 3.2Å; Q211-T215 WeakPolarHBondContact O-CB 3.3Å; Q211-T215 PolarHBondContact O-N 3.21Å; Q211-T215 PolarHBondContact O-OG1 3.08Å |
| 212 | D | 90.5 | Very high | 85.1 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.8 | -33.2 | -178.8 | -65.5 | -33.4 | 0 | 0 | 0 | 111.1 | T127 R209 V210 T215 N216 | T127-D212 HydrophobicContact CG2-CB 4.02Å; R209-D212 WeakPolarHBondContact O-CB 3.48Å; R209-D212 PolarHBondContact O-N 3.32Å; V210-D212 VanDerWaalsContact C-N 3.28Å; V210-D212 PolarHBondContact O-N 2.96Å; D212-T215 PolarHBondContact O-N 2.93Å; D212-N216 VanDerWaalsContact O-CB 3.22Å; D212-N216 WeakPolarHBondContact O-CB 3.49Å; D212-N216 PolarHBondContact O-N 2.77Å; D212-N216 PolarHBondContact O-ND2 2.91Å |
| 213 | F | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 174.5 | 168.8 | -100.1 | 0 | 0 | 0 | 111 | I114 N116 M123 T127 W134 D136 R209 V210 Q211 G217 | I114-F213 HydrophobicContact CB-CE2 3.87Å; I114-F213 HydrophobicContact CB-CZ 3.98Å; I114-F213 HydrophobicContact CD1-CE2 3.95Å; I114-F213 HydrophobicContact CG2-CE2 3.76Å; I114-F213 HydrophobicContact CG2-CZ 3.83Å; N116-F213 HydrophobicContact CB-CE1 3.81Å; N116-F213 HydrophobicContact CB-CZ 4.42Å; M123-F213 HydrophobicContact CB-CB 4.23Å; M123-F213 HydrophobicContact CB-CD2 4Å; M123-F213 HydrophobicContact CB-CG 4.06Å; M123-F213 HydrophobicContact CE-CD1 4.28Å; M123-F213 HydrophobicContact CE-CE1 4.11Å; M123-F213 HydrophobicContact CG-CB 4.26Å; M123-F213 HydrophobicContact CG-CD1 3.85Å; M123-F213 HydrophobicContact CG-CD2 3.73Å; M123-F213 HydrophobicContact CG-CE1 4.08Å; M123-F213 HydrophobicContact CG-CE2 3.95Å; M123-F213 HydrophobicContact CG-CG 3.66Å; M123-F213 HydrophobicContact CG-CZ 4.12Å; M123-F213 HydrophobicContact SD-CD1 4.34Å; T127-F213 HydrophobicContact CG2-CB 3.67Å; W134-F213 AromaticContact CD1-CD2 3.7Å; W134-F213 AromaticContact CD1-CE2 3.36Å; W134-F213 HydrophobicContact CG-CE2 4.31Å; W134-F213 WeakPolarHBondContact CZ2-O 3.35Å; W134-F213 AromaticContact NE1-CD2 3.31Å; W134-F213 VanDerWaalsContact NE1-CD2 3.31Å; W134-F213 AromaticContact NE1-CE2 3.5Å; W134-F213 PolarHBondContact NE1-O 3.13Å; D136-F213 HydrophobicContact CB-CE1 3.96Å; D136-F213 HydrophobicContact CB-CZ 4.01Å; R209-F213 PolarHBondContact O-N 3.27Å; V210-F213 WeakPolarHBondContact O-CB 3.33Å; V210-F213 PolarHBondContact O-N 2.66Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 3.19Å; F213-G217 PolarHBondContact O-N 3.13Å |
| 214 | Y | 92.6 | Very high | 87.5 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -42.5 | 178.7 | -65.8 | -62.1 | 0 | 0 | 0 | 112.5 | N116 D136 P146 F149 R150 V210 Q211 | N116-Y214 HydrophobicContact CB-CE1 3.79Å; D136-Y214 WeakPolarHBondContact OD2-CD1 3.04Å; P146-Y214 HydrophobicContact CB-CD1 3.84Å; P146-Y214 HydrophobicContact CB-CE1 3.78Å; P146-Y214 HydrophobicContact CB-CG 4.48Å; P146-Y214 HydrophobicContact CG-CD1 4.12Å; P146-Y214 HydrophobicContact CG-CE1 3.58Å; P146-Y214 HydrophobicContact CG-CE2 4.31Å; F149-Y214 AromaticContact CD2-CD2 3.54Å; F149-Y214 HydrophobicContact CD2-CD2 3.54Å; F149-Y214 HydrophobicContact CD2-CE2 4.49Å; F149-Y214 AromaticContact CD2-CG 3.9Å; F149-Y214 HydrophobicContact CD2-CG 3.9Å; F149-Y214 AromaticContact CE2-CD2 3.85Å; F149-Y214 HydrophobicContact CE2-CD2 3.85Å; R150-Y214 VanDerWaalsContact CD-O 3.27Å; R150-Y214 WeakPolarHBondContact CD-O 3.5Å; R150-Y214 PolarHBondContact NH1-O 3.44Å; V210-Y214 HydrophobicContact CG1-CD2 3.9Å; V210-Y214 HydrophobicContact CG1-CE2 3.33Å; V210-Y214 WeakPolarHBondContact O-CD2 3.39Å; V210-Y214 PolarHBondContact O-N 3.42Å; Q211-Y214 PolarHBondContact O-N 3.2Å |
| 215 | T | 90.7 | Very high | 88.7 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.6 | -38.7 | -173.9 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | R150 Q211 D212 R445 | R150-T215 PolarHBondContact NH1-O 3.41Å; Q211-T215 WeakPolarHBondContact O-CB 3.3Å; Q211-T215 PolarHBondContact O-N 3.21Å; Q211-T215 PolarHBondContact O-OG1 3.08Å; D212-T215 PolarHBondContact O-N 2.93Å; T215-R445 PolarHBondContact O-NE 3.43Å; T215-R445 PolarHBondContact O-NH1 2.91Å; T215-R445 PolarHBondContact O-NH2 2.91Å |
| 216 | N | 90.8 | Very high | 89.7 | Confident | 74 Ų | 74 | 33.1 Ų | 33.1 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -93.8 | -13.1 | -172 | -63.9 | -36.7 | 0 | 0 | 0 | 114.4 | W134 D212 R445 | W134-N216 HydrophobicContact CH2-CB 3.56Å; W134-N216 HydrophobicContact CZ2-CB 3.65Å; D212-N216 VanDerWaalsContact O-CB 3.22Å; D212-N216 WeakPolarHBondContact O-CB 3.49Å; D212-N216 PolarHBondContact O-N 2.77Å; D212-N216 PolarHBondContact O-ND2 2.91Å; N216-R445 VanDerWaalsContact C-NH2 3.28Å; N216-R445 PolarHBondContact O-NH2 2.9Å |
| 217 | G | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -54.9 | 146.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R150 F213 R445 | R150-G217 PolarHBondContact NH1-O 3.43Å; R150-G217 PolarHBondContact NH2-O 2.86Å; F213-G217 PolarHBondContact O-N 3.13Å; G217-R445 PolarHBondContact O-NH2 3.19Å |
| 218 | V | 95 | Very high | 91.4 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -61 | -55.3 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | T133 W134 R150 Y434 A441 | T133-V218 HydrophobicContact CG2-CG2 3.27Å; W134-V218 WeakPolarHBondContact O-CB 3.4Å; W134-V218 PolarHBondContact O-N 3Å; R150-V218 PolarHBondContact NH2-O 3.43Å; V218-Y434 HydrophobicContact CB-CD2 4.37Å; V218-Y434 HydrophobicContact CB-CE2 4.29Å; V218-Y434 HydrophobicContact CG1-CD1 4.22Å; V218-Y434 HydrophobicContact CG1-CD2 3.23Å; V218-Y434 HydrophobicContact CG1-CE2 3.56Å; V218-Y434 HydrophobicContact CG1-CG 3.6Å; V218-Y434 HydrophobicContact CG2-CD2 4.19Å; V218-Y434 HydrophobicContact CG2-CE1 4.16Å; V218-Y434 HydrophobicContact CG2-CE2 3.64Å; V218-A441 HydrophobicContact CG1-CB 4.03Å |
| 219 | Y | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -133.8 | 155.7 | 177.9 | -55.9 | -42.4 | 0 | 0 | 0 | 109.9 | V135 D136 D237 F239 W430 Y434 M444 | V135-Y219 HydrophobicContact CG2-CD2 4.39Å; D136-Y219 PolarHBondContact N-O 2.95Å; Y219-D237 VanDerWaalsContact CA-O 3.31Å; Y219-D237 WeakPolarHBondContact CA-O 3.24Å; Y219-D237 HydrophobicContact CD1-CB 4.21Å; Y219-F239 HydrophobicContact CD1-CD2 4.4Å; Y219-F239 AromaticContact CD1-CE2 3.54Å; Y219-F239 HydrophobicContact CD1-CE2 3.54Å; Y219-F239 HydrophobicContact CD1-CZ 4.35Å; Y219-F239 HydrophobicContact CD2-CD2 4.37Å; Y219-F239 AromaticContact CD2-CE2 3.88Å; Y219-F239 HydrophobicContact CD2-CE2 3.88Å; Y219-F239 AromaticContact CE1-CE2 3.91Å; Y219-F239 HydrophobicContact CE1-CE2 3.91Å; Y219-F239 HydrophobicContact CE1-CZ 4.39Å; Y219-F239 HydrophobicContact CE2-CE2 4.18Å; Y219-F239 HydrophobicContact CG-CD2 4.05Å; Y219-F239 AromaticContact CG-CE2 3.55Å; Y219-F239 HydrophobicContact CG-CE2 3.55Å; Y219-W430 HydrophobicContact CE2-CB 4.3Å; Y219-W430 WeakPolarHBondContact CE2-O 3.48Å; Y219-Y434 HydrophobicContact CE2-CG 4.43Å; Y219-M444 HydrophobicContact CD1-CE 4.47Å; Y219-M444 HydrophobicContact CE1-CE 3.61Å; Y219-M444 HydrophobicContact CE1-SD 3.88Å | ||
| 220 | S | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | 166.1 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | D136 M142 R150 D237 T238 F239 | D136-S220 CarbonylContact O-C 3.58Å; D136-S220 VanDerWaalsContact O-CA 3.3Å; D136-S220 WeakPolarHBondContact O-CA 3.49Å; D136-S220 VanDerWaalsContact OD2-CB 3.23Å; D136-S220 WeakPolarHBondContact OD2-CB 3.19Å; D136-S220 PolarHBondContact OD2-OG 3.4Å; M142-S220 WeakPolarHBondContact CE-O 3.27Å; R150-S220 WeakPolarHBondContact CD-OG 3.48Å; R150-S220 WeakPolarHBondContact CG-OG 3.28Å; S220-D237 PolarHBondContact N-O 3.36Å; S220-T238 CarbonylContact O-C 3.5Å; S220-T238 VanDerWaalsContact O-CA 3.31Å; S220-T238 WeakPolarHBondContact O-CA 3.29Å; S220-F239 PolarHBondContact O-N 3.29Å |
| 221 | I | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.7 | -177.5 | -64.4 | -179.5 | 0 | 0 | 0 | 109.5 | V135 D136 Y137 S138 F239 V241 | V135-I221 HydrophobicContact CG1-CD1 3.62Å; V135-I221 HydrophobicContact CG1-CG1 3.89Å; D136-I221 PolarHBondContact O-N 3.33Å; Y137-I221 HydrophobicContact CD2-CB 4.02Å; Y137-I221 HydrophobicContact CD2-CD1 4.2Å; Y137-I221 HydrophobicContact CD2-CG2 3.84Å; Y137-I221 HydrophobicContact CE2-CG2 3.82Å; S138-I221 WeakPolarHBondContact CA-O 3.42Å; S138-I221 VanDerWaalsContact CB-O 3.3Å; S138-I221 WeakPolarHBondContact CB-O 3.22Å; S138-I221 PolarHBondContact N-O 3.06Å; I221-F239 CarbonylContact C-O 3.5Å; I221-F239 VanDerWaalsContact CA-O 3.28Å; I221-F239 WeakPolarHBondContact CA-O 3.09Å; I221-F239 HydrophobicContact CG1-CB 4.49Å; I221-V241 HydrophobicContact CD1-CG2 4.08Å; I221-V241 HydrophobicContact CG2-CB 3.58Å; I221-V241 HydrophobicContact CG2-CG2 3.43Å; I221-V241 VanDerWaalsContact CG2-CG2 3.43Å |
| 222 | G | 91.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 164.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F239 V240 V241 | G222-F239 PolarHBondContact N-O 2.94Å; G222-V240 CarbonylContact O-C 3.6Å; G222-V240 VanDerWaalsContact O-CA 3.29Å; G222-V240 WeakPolarHBondContact O-CA 3.3Å; G222-V241 PolarHBondContact O-N 3.2Å |
| 223 | S | 89.4 | Confident | 91.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -107.2 | 8.6 | -175.9 | -61.7 | 0 | 0 | 0 | 0 | 115.4 | S138 T140 V241 | S138-S223 PolarHBondContact O-OG 3.2Å; T140-S223 PolarHBondContact O-N 3.49Å; S223-V241 WeakPolarHBondContact CA-O 3.3Å |
| 224 | L | 91.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -112.3 | 126.2 | -178.1 | -176.5 | 75 | 0 | 0 | 0 | 111.5 | H141 A226 L228 D229 V240 I344 F347 Y369 L372 | H141-L224 HydrophobicContact CB-CB 3.85Å; H141-L224 HydrophobicContact CB-CD2 4.02Å; L224-A226 PolarHBondContact O-N 3.13Å; L224-L228 HydrophobicContact CD1-CB 4.15Å; L224-D229 HydrophobicContact CD2-CB 3.68Å; L224-V240 VanDerWaalsContact O-CG1 3.23Å; L224-V240 WeakPolarHBondContact O-CG1 3.5Å; L224-I344 HydrophobicContact CB-CD1 4.39Å; L224-F347 HydrophobicContact CD1-CD1 4.2Å; L224-F347 HydrophobicContact CD1-CE1 3.86Å; L224-Y369 HydrophobicContact CD1-CD1 4.33Å; L224-Y369 HydrophobicContact CD1-CE1 3.96Å; L224-Y369 HydrophobicContact CD2-CE1 4.09Å; L224-L372 HydrophobicContact CD2-CD1 3.96Å |
| 225 | P | 89.7 | Confident | 90.7 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | trans | -59.6 | 132.6 | 175 | -16.7 | 23.6 | 0 | 0 | 0 | 110.8 | I227 L228 D229 D242 L348 I416 | P225-I227 HydrophobicContact CB-CG2 4.14Å; P225-I227 PolarHBondContact O-N 3.23Å; P225-L228 HydrophobicContact CB-CD1 4.46Å; P225-L228 HydrophobicContact CB-CG 4.35Å; P225-L228 HydrophobicContact CG-CD1 3.92Å; P225-L228 HydrophobicContact CG-CG 4.35Å; P225-L228 WeakPolarHBondContact O-CB 3.34Å; P225-L228 PolarHBondContact O-N 3.31Å; P225-D229 PolarHBondContact O-N 3.08Å; P225-D242 WeakPolarHBondContact CA-OD1 3.49Å; P225-D242 WeakPolarHBondContact CD-OD1 3.22Å; P225-D242 HydrophobicContact CG-CB 4.38Å; P225-D242 VanDerWaalsContact CG-CG 3.47Å; P225-D242 VanDerWaalsContact CG-OD1 3.22Å; P225-D242 WeakPolarHBondContact CG-OD1 3.13Å; P225-L348 HydrophobicContact CG-CD2 3.92Å; P225-I416 HydrophobicContact CB-CG2 4.26Å; P225-I416 HydrophobicContact CG-CG2 4.29Å | ||
| 226 | A | 88.5 | Confident | 90.7 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 31% | 0.314 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L224 L228 D229 | L224-A226 PolarHBondContact O-N 3.13Å; A226-L228 PolarHBondContact O-N 3.15Å; A226-D229 PolarHBondContact O-N 3.03Å |
| 227 | I | 91.6 | Very high | 90.8 | Very high | 78 Ų | 78 | 27.8 Ų | 27.8 | 40% | 0.4 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.1 | 176 | -164.1 | 61.9 | 0 | 0 | 0 | 113.1 | P225 F412 M415 I416 | P225-I227 HydrophobicContact CB-CG2 4.14Å; P225-I227 PolarHBondContact O-N 3.23Å; I227-F412 WeakPolarHBondContact O-CE1 3.26Å; I227-M415 HydrophobicContact CD1-SD 4.19Å; I227-M415 HydrophobicContact CG1-CB 4.11Å; I227-M415 HydrophobicContact CG1-CE 4.05Å; I227-M415 HydrophobicContact CG1-SD 4.1Å; I227-I416 HydrophobicContact CG2-CG2 3.51Å |
| 228 | L | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -15.9 | 176.6 | -64.2 | -177.8 | 0 | 0 | 0 | 112.9 | L224 P225 A226 F347 L348 V351 L372 H376 F412 I416 | L224-L228 HydrophobicContact CD1-CB 4.15Å; P225-L228 HydrophobicContact CB-CD1 4.46Å; P225-L228 HydrophobicContact CB-CG 4.35Å; P225-L228 HydrophobicContact CG-CD1 3.92Å; P225-L228 HydrophobicContact CG-CG 4.35Å; P225-L228 WeakPolarHBondContact O-CB 3.34Å; P225-L228 PolarHBondContact O-N 3.31Å; A226-L228 PolarHBondContact O-N 3.15Å; L228-F347 HydrophobicContact CB-CE1 4.14Å; L228-F347 HydrophobicContact CB-CZ 4.48Å; L228-F347 HydrophobicContact CD1-CE1 3.82Å; L228-F347 HydrophobicContact CG-CE1 4.49Å; L228-L348 HydrophobicContact CD1-CD2 3.55Å; L228-V351 HydrophobicContact CD1-CB 4.43Å; L228-V351 HydrophobicContact CD1-CG1 4.28Å; L228-V351 HydrophobicContact CD1-CG2 4.16Å; L228-V351 HydrophobicContact CD2-CG1 4.05Å; L228-V351 HydrophobicContact CD2-CG2 4.18Å; L228-L372 WeakPolarHBondContact O-CD2 3.23Å; L228-H376 PolarHBondContact O-CD2 2.96Å; L228-H376 PolarHBondContact O-NE2 2.79Å; L228-F412 HydrophobicContact CD2-CB 4.09Å; L228-F412 HydrophobicContact CD2-CD1 3.57Å; L228-F412 HydrophobicContact CD2-CE1 4.36Å; L228-F412 HydrophobicContact CD2-CG 4.09Å; L228-I416 HydrophobicContact CD1-CG2 4.02Å; L228-I416 HydrophobicContact CD2-CG2 4.12Å; L228-I416 HydrophobicContact CG-CG2 3.88Å |
| 229 | D | 91.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -85.9 | 177.4 | 173.4 | -147.7 | -19.6 | 0 | 0 | 0 | 111.2 | L224 P225 A226 L232 R368 | L224-D229 HydrophobicContact CD2-CB 3.68Å; P225-D229 PolarHBondContact O-N 3.08Å; A226-D229 PolarHBondContact O-N 3.03Å; D229-L232 HydrophobicContact CB-CD2 3.91Å; D229-R368 IonicContact OD1-CZ 3.73Å; D229-R368 IonicContact OD1-NE 3.12Å; D229-R368 IonicContact OD1-NH2 2.82Å; D229-R368 PolarHBondContact OD1-NH2 3.08Å; D229-R368 IonicContact OD2-NH2 2.71Å |
| 230 | V | 89.9 | Confident | 90 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -64.2 | 143 | 161 | -75.9 | 0 | 0 | 0 | 0 | 109.9 | L154 I160 Y167 L232 M375 | L154-V230 HydrophobicContact CD1-CB 4.4Å; L154-V230 HydrophobicContact CD1-CG2 3.38Å; I160-V230 HydrophobicContact CG1-CG1 4.41Å; I160-V230 HydrophobicContact CG2-CG1 3.57Å; Y167-V230 HydrophobicContact CE2-CG1 4.34Å; V230-L232 VanDerWaalsContact O-CD2 3.31Å; V230-L232 WeakPolarHBondContact O-CD2 3Å; V230-L232 PolarHBondContact O-N 3.43Å; V230-M375 HydrophobicContact CG1-CE 3.93Å; V230-M375 HydrophobicContact CG1-SD 3.83Å | ||
| 231 | P | 88.8 | Confident | 89.7 | Confident | 119 Ų | 119 | 30.2 Ų | 30.2 | 77% | 0.773 | 18% | 0.183 | S | C | * | . | trans | -53.6 | 119.3 | 175.1 | -26.1 | 34.5 | 0 | 0 | 0 | 111.1 | ||||
| 232 | L | 86.3 | Confident | 88.9 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | trans | -136.2 | 151.9 | -175.2 | 76 | 116 | 0 | 0 | 0 | 111.5 | L154 D229 V230 | L154-L232 HydrophobicContact CD1-CB 3.9Å; L154-L232 HydrophobicContact CD2-CB 3.83Å; L154-L232 HydrophobicContact CG-CB 3.85Å; D229-L232 HydrophobicContact CB-CD2 3.91Å; V230-L232 VanDerWaalsContact O-CD2 3.31Å; V230-L232 WeakPolarHBondContact O-CD2 3Å; V230-L232 PolarHBondContact O-N 3.43Å | ||
| 233 | P | 86.4 | Confident | 88.1 | Confident | 63 Ų | 63 | 32.5 Ų | 32.5 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | trans | -64.1 | 144.5 | 176 | 27.6 | -34.3 | 0 | 0 | 0 | 110.6 | V152 | V152-P233 WeakPolarHBondContact CB-O 3.42Š| ||
| 234 | Q | 85 | Confident | 87.5 | Confident | 116 Ų | 116 | 37.3 Ų | 37.3 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | trans | -120.7 | 149.8 | 171.3 | -67.2 | -174.6 | 36.8 | 0 | 0 | 109.7 | ||||
| 235 | T | 89.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | trans | -113.7 | 165.1 | 176.8 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | V152 D237 T238 L446 | V152-T235 HydrophobicContact CG1-CG2 3.28Å; T235-D237 WeakPolarHBondContact CB-OD1 3.15Å; T235-D237 PolarHBondContact O-N 3.2Å; T235-D237 PolarHBondContact OG1-OD1 3.14Å; T235-T238 PolarHBondContact N-OG1 3.23Å; T235-T238 VanDerWaalsContact N-OG1 3.08Å; T235-T238 PolarHBondContact O-N 2.64Å; T235-T238 PolarHBondContact O-OG1 3.08Å; T235-T238 VanDerWaalsContact OG1-CG2 3.23Å; T235-T238 WeakPolarHBondContact OG1-CG2 2.92Å; T235-T238 PolarHBondContact OG1-OG1 2.56Å; T235-L446 HydrophobicContact CG2-CD1 3.25Å; T235-L446 HydrophobicContact CG2-CD2 4.05Å; T235-L446 HydrophobicContact CG2-CG 3.51Å | ||
| 236 | A | 90.9 | Very high | 86.7 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F239 M444 | A236-F239 VanDerWaalsContact O-CE1 3.24Å; A236-F239 WeakPolarHBondContact O-CE1 3.47Å; A236-F239 WeakPolarHBondContact O-CZ 3.39Å; A236-M444 HydrophobicContact CB-CB 3.97Å; A236-M444 HydrophobicContact CB-CE 4.38Å; A236-M444 HydrophobicContact CB-CG 4.18Å; A236-M444 WeakPolarHBondContact O-CE 3.42Å |
| 237 | D | 92.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.5 | -176.7 | 62.5 | -8.5 | 0 | 0 | 0 | 113.8 | R150 Y219 S220 T235 M444 R445 | R150-D237 IonicContact CZ-OD2 3.71Å; R150-D237 IonicContact NE-OD2 2.78Å; R150-D237 PolarHBondContact NE-OD2 2.88Å; R150-D237 IonicContact NH2-OD2 3.26Å; R150-D237 PolarHBondContact NH2-OD2 2.72Å; Y219-D237 VanDerWaalsContact CA-O 3.31Å; Y219-D237 WeakPolarHBondContact CA-O 3.24Å; Y219-D237 HydrophobicContact CD1-CB 4.21Å; S220-D237 PolarHBondContact N-O 3.36Å; T235-D237 WeakPolarHBondContact CB-OD1 3.15Å; T235-D237 PolarHBondContact O-N 3.2Å; T235-D237 PolarHBondContact OG1-OD1 3.14Å; D237-M444 HydrophobicContact CB-CB 4.02Å; D237-R445 WeakPolarHBondContact OD2-CA 3.41Å |
| 238 | T | 91.8 | Very high | 85.3 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.7 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | M142 R150 V152 S220 T235 | M142-T238 HydrophobicContact CE-CG2 3.87Å; M142-T238 HydrophobicContact SD-CG2 4.06Å; R150-T238 HydrophobicContact CB-CG2 3.83Å; R150-T238 HydrophobicContact CG-CG2 4.14Å; V152-T238 HydrophobicContact CG1-CG2 4.5Å; V152-T238 HydrophobicContact CG2-CG2 4.21Å; S220-T238 CarbonylContact O-C 3.5Å; S220-T238 VanDerWaalsContact O-CA 3.31Å; S220-T238 WeakPolarHBondContact O-CA 3.29Å; T235-T238 PolarHBondContact N-OG1 3.23Å; T235-T238 VanDerWaalsContact N-OG1 3.08Å; T235-T238 PolarHBondContact O-N 2.64Å; T235-T238 PolarHBondContact O-OG1 3.08Å; T235-T238 VanDerWaalsContact OG1-CG2 3.23Å; T235-T238 WeakPolarHBondContact OG1-CG2 2.92Å; T235-T238 PolarHBondContact OG1-OG1 2.56Å |
| 239 | F | 88.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 163.7 | -177.2 | -53 | -65.2 | 0 | 0 | 0 | 112 | Y219 S220 I221 G222 A236 W430 M444 | Y219-F239 HydrophobicContact CD1-CD2 4.4Å; Y219-F239 AromaticContact CD1-CE2 3.54Å; Y219-F239 HydrophobicContact CD1-CE2 3.54Å; Y219-F239 HydrophobicContact CD1-CZ 4.35Å; Y219-F239 HydrophobicContact CD2-CD2 4.37Å; Y219-F239 AromaticContact CD2-CE2 3.88Å; Y219-F239 HydrophobicContact CD2-CE2 3.88Å; Y219-F239 AromaticContact CE1-CE2 3.91Å; Y219-F239 HydrophobicContact CE1-CE2 3.91Å; Y219-F239 HydrophobicContact CE1-CZ 4.39Å; Y219-F239 HydrophobicContact CE2-CE2 4.18Å; Y219-F239 HydrophobicContact CG-CD2 4.05Å; Y219-F239 AromaticContact CG-CE2 3.55Å; Y219-F239 HydrophobicContact CG-CE2 3.55Å; S220-F239 PolarHBondContact O-N 3.29Å; I221-F239 CarbonylContact C-O 3.5Å; I221-F239 VanDerWaalsContact CA-O 3.28Å; I221-F239 WeakPolarHBondContact CA-O 3.09Å; I221-F239 HydrophobicContact CG1-CB 4.49Å; G222-F239 PolarHBondContact N-O 2.94Å; A236-F239 VanDerWaalsContact O-CE1 3.24Å; A236-F239 WeakPolarHBondContact O-CE1 3.47Å; A236-F239 WeakPolarHBondContact O-CZ 3.39Å; F239-W430 AromaticContact CD1-CD1 3.62Å; F239-W430 HydrophobicContact CD1-CD2 4.21Å; F239-W430 AromaticContact CD1-CE2 3.92Å; F239-W430 HydrophobicContact CD1-CG 4.04Å; F239-W430 AromaticContact CD1-NE1 3.55Å; F239-W430 HydrophobicContact CD2-CB 4.05Å; F239-W430 AromaticContact CD2-CG 3.98Å; F239-W430 HydrophobicContact CD2-CG 3.98Å; F239-W430 AromaticContact CE1-CD1 3.68Å; F239-W430 AromaticContact CE1-CD2 3.48Å; F239-W430 HydrophobicContact CE1-CD2 3.48Å; F239-W430 VanDerWaalsContact CE1-CD2 3.48Å; F239-W430 AromaticContact CE1-CE2 3.25Å; F239-W430 HydrophobicContact CE1-CE3 4.11Å; F239-W430 AromaticContact CE1-CG 3.76Å; F239-W430 HydrophobicContact CE1-CG 3.76Å; F239-W430 HydrophobicContact CE1-CH2 4.3Å; F239-W430 AromaticContact CE1-CZ2 3.7Å; F239-W430 HydrophobicContact CE1-CZ2 3.7Å; F239-W430 HydrophobicContact CE1-CZ3 4.48Å; F239-W430 AromaticContact CE1-NE1 3.4Å; F239-W430 HydrophobicContact CE2-CB 3.81Å; F239-W430 AromaticContact CE2-CD2 3.84Å; F239-W430 HydrophobicContact CE2-CD2 3.84Å; F239-W430 HydrophobicContact CE2-CE3 4.19Å; F239-W430 AromaticContact CE2-CG 3.66Å; F239-W430 HydrophobicContact CE2-CG 3.66Å; F239-W430 AromaticContact CG-CD1 3.85Å; F239-W430 HydrophobicContact CG-CG 4.13Å; F239-W430 HydrophobicContact CZ-CB 4.17Å; F239-W430 AromaticContact CZ-CD1 3.95Å; F239-W430 AromaticContact CZ-CD2 3.23Å; F239-W430 HydrophobicContact CZ-CD2 3.23Å; F239-W430 AromaticContact CZ-CE2 3.56Å; F239-W430 AromaticContact CZ-CE3 3.52Å; F239-W430 HydrophobicContact CZ-CE3 3.52Å; F239-W430 AromaticContact CZ-CG 3.54Å; F239-W430 HydrophobicContact CZ-CG 3.54Å; F239-W430 HydrophobicContact CZ-CH2 4.32Å; F239-W430 HydrophobicContact CZ-CZ2 4.1Å; F239-W430 HydrophobicContact CZ-CZ3 4.06Å; F239-W430 AromaticContact CZ-NE1 3.98Å; F239-M444 HydrophobicContact CE2-CE 4.44Å; F239-M444 HydrophobicContact CZ-CE 3.7Å |
| 240 | V | 86.6 | Confident | 84.3 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.4 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | G222 L224 D242 N426 | G222-V240 CarbonylContact O-C 3.6Å; G222-V240 VanDerWaalsContact O-CA 3.29Å; G222-V240 WeakPolarHBondContact O-CA 3.3Å; L224-V240 VanDerWaalsContact O-CG1 3.23Å; L224-V240 WeakPolarHBondContact O-CG1 3.5Å; V240-D242 WeakPolarHBondContact CG1-OD1 3.48Å; V240-N426 PolarHBondContact O-ND2 3.38Å |
| 241 | V | 86.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | trans | -116.9 | 87.7 | 166.4 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | Y137 I221 G222 S223 G427 | Y137-V241 HydrophobicContact CE2-CB 4.35Å; Y137-V241 HydrophobicContact CE2-CG1 4.42Å; I221-V241 HydrophobicContact CD1-CG2 4.08Å; I221-V241 HydrophobicContact CG2-CB 3.58Å; I221-V241 HydrophobicContact CG2-CG2 3.43Å; I221-V241 VanDerWaalsContact CG2-CG2 3.43Å; G222-V241 PolarHBondContact O-N 3.2Å; S223-V241 WeakPolarHBondContact CA-O 3.3Å; V241-G427 VanDerWaalsContact CG2-CA 3.43Å | ||
| 242 | D | 75.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 152.5 | 175 | -51.9 | -42 | 0 | 0 | 0 | 111.5 | P225 V240 E244 R419 A423 | P225-D242 WeakPolarHBondContact CA-OD1 3.49Å; P225-D242 WeakPolarHBondContact CD-OD1 3.22Å; P225-D242 HydrophobicContact CG-CB 4.38Å; P225-D242 VanDerWaalsContact CG-CG 3.47Å; P225-D242 VanDerWaalsContact CG-OD1 3.22Å; P225-D242 WeakPolarHBondContact CG-OD1 3.13Å; V240-D242 WeakPolarHBondContact CG1-OD1 3.48Å; D242-E244 PolarHBondContact O-N 2.67Å; D242-R419 IonicContact OD2-NH1 2.7Å; D242-R419 PolarHBondContact OD2-NH1 3.4Å; D242-A423 HydrophobicContact CB-CB 3.5Å; D242-A423 VanDerWaalsContact CB-CB 3.5Å; D242-A423 WeakPolarHBondContact OD2-CB 3.5Å |
| 243 | Y | 76 | Confident | 84.9 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 128.1 | 159 | -62.1 | -82.1 | 0 | 0 | 0 | 109.5 | S12 T139 C245 I344 K345 L348 | S12-Y243 VanDerWaalsContact CB-OH 3.28Å; S12-Y243 WeakPolarHBondContact CB-OH 3.42Å; S12-Y243 VanDerWaalsContact OG-CE1 3.27Å; S12-Y243 WeakPolarHBondContact OG-CE1 3.23Å; S12-Y243 PolarHBondContact OG-OH 3.27Å; T139-Y243 PolarHBondContact O-OH 3.31Å; Y243-C245 PolarHBondContact O-N 2.75Å; Y243-I344 HydrophobicContact CD2-CD1 4.4Å; Y243-I344 HydrophobicContact CD2-CG1 4.25Å; Y243-I344 HydrophobicContact CE2-CB 4.4Å; Y243-I344 HydrophobicContact CE2-CD1 3.87Å; Y243-I344 HydrophobicContact CE2-CG1 3.93Å; Y243-I344 HydrophobicContact CE2-CG2 3.63Å; Y243-K345 HydrophobicContact CD1-CD 4.48Å; Y243-K345 HydrophobicContact CD1-CG 4.03Å; Y243-K345 HydrophobicContact CD2-CG 4.4Å; Y243-K345 HydrophobicContact CE1-CD 4.18Å; Y243-K345 HydrophobicContact CE1-CG 3.91Å; Y243-K345 HydrophobicContact CE2-CG 4.26Å; Y243-K345 HydrophobicContact CG-CG 4.26Å; Y243-L348 HydrophobicContact CD2-CD1 3.48Å; Y243-L348 VanDerWaalsContact CD2-CD1 3.48Å; Y243-L348 HydrophobicContact CG-CD1 4.09Å |
| 244 | E | 76.6 | Confident | 85.3 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 133.5 | 170.5 | -165.2 | -174.7 | 172.3 | 0 | 0 | 108.3 | D242 | D242-E244 PolarHBondContact O-N 2.67Š|
| 245 | C | 85 | Confident | 85.9 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 129.9 | 167.3 | -68.4 | 0 | 0 | 0 | 0 | 108 | Y243 K247 C352 | Y243-C245 PolarHBondContact O-N 2.75Å; C245-K247 PolarHBondContact O-N 2.83Å; C245-C352 WeakPolarHBondContact CA-SG 3.04Å; C245-C352 HydrophobicContact CB-CB 3.6Å; C245-C352 WeakPolarHBondContact CB-SG 3.35Å; C245-C352 WeakPolarHBondContact SG-CB 3.47Å; C245-C352 CovalentContact SG-SG 2.03Å; C245-C352 PolarHBondContact SG-SG 3.2Å |
| 246 | P | 79.7 | Confident | 86.2 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -56 | 137 | -177.4 | -21.1 | 29 | 0 | 0 | 0 | 110.1 | A327 E349 F353 | P246-A327 HydrophobicContact CB-CB 3.81Å; P246-A327 HydrophobicContact CG-CB 4.12Å; P246-E349 HydrophobicContact CG-CG 3.78Å; P246-F353 HydrophobicContact CB-CE2 4.29Å; P246-F353 HydrophobicContact CB-CZ 3.94Å; P246-F353 HydrophobicContact CG-CE2 3.96Å; P246-F353 HydrophobicContact CG-CZ 4.06Å |
| 247 | K | 80.5 | Confident | 86.5 | Confident | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 146.1 | 178.7 | -69.7 | -175.3 | 179.5 | -178 | 0 | 109.9 | C245 A249 | C245-K247 PolarHBondContact O-N 2.83Å; K247-A249 PolarHBondContact O-N 2.94Å; K247-A249 VanDerWaalsContact O-N 3.14Å |
| 248 | P | 69.6 | Low | 86.7 | Confident | 106 Ų | 106 | 65.4 Ų | 65.4 | 69% | 0.688 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 122 | 177.9 | -28.9 | 35.4 | 0 | 0 | 0 | 112.4 | Q331 | P248-Q331 VanDerWaalsContact CA-NE2 3.34Š|
| 249 | A | 77.9 | Confident | 87 | Confident | 46 Ų | 46 | 65 Ų | 65 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | trans | -121.7 | 116.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | K247 L251 A328 Q331 | K247-A249 PolarHBondContact O-N 2.94Å; K247-A249 VanDerWaalsContact O-N 3.14Å; A249-L251 PolarHBondContact O-N 3.08Å; A249-A328 HydrophobicContact CB-CB 4.19Å; A249-A328 VanDerWaalsContact O-CB 3.31Å; A249-A328 WeakPolarHBondContact O-CB 3.44Å; A249-Q331 PolarHBondContact O-OE1 3.37Å | ||
| 250 | K | 86.7 | Confident | 87.4 | Confident | 201 Ų | 201 | 68.8 Ų | 68.8 | 87% | 0.874 | 37% | 0.367 | S | S | * | . | trans | -66 | 125.6 | 178.7 | -70.6 | -173.9 | 178.2 | -177.5 | 0 | 109.4 | ||||
| 251 | L | 91.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | trans | -61.2 | 136 | 168.1 | -161.8 | 66.4 | 0 | 0 | 0 | 108.7 | A249 Y255 L256 V259 P325 A328 I329 H332 | A249-L251 PolarHBondContact O-N 3.08Å; L251-Y255 HydrophobicContact CD1-CG 4.43Å; L251-L256 HydrophobicContact CB-CD1 4.36Å; L251-L256 HydrophobicContact CG-CB 4.44Å; L251-V259 HydrophobicContact CD2-CB 3.96Å; L251-V259 HydrophobicContact CD2-CG1 4.27Å; L251-V259 HydrophobicContact CD2-CG2 3.81Å; L251-P325 HydrophobicContact CD1-CG 4.23Å; L251-A328 HydrophobicContact CB-CB 4.43Å; L251-A328 HydrophobicContact CD1-CB 3.87Å; L251-I329 HydrophobicContact CD1-CG1 3.92Å; L251-H332 HydrophobicContact CD2-CB 4.48Å | ||
| 252 | S | 92.6 | Very high | 88.3 | Confident | 86 Ų | 86 | 74 Ų | 74 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | trans | -145.1 | 168.6 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 253 | G | 94.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 80.5 Ų | 80.5 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | 60.4 | -142.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y255 L256 Q257 | G253-Y255 VanDerWaalsContact C-N 3.25Å; G253-Y255 PolarHBondContact O-N 2.96Å; G253-L256 PolarHBondContact O-N 2.97Å; G253-L256 VanDerWaalsContact O-N 3.12Å; G253-Q257 PolarHBondContact O-N 2.85Å |
| 254 | E | 94.9 | Very high | 90.3 | Very high | 139 Ų | 139 | 79.7 Ų | 79.7 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.1 | -33.6 | -175.1 | -59.3 | -175.5 | 156.2 | 0 | 0 | 113.3 | Q257 F258 K319 | E254-Q257 PolarHBondContact O-N 3.35Å; E254-F258 VanDerWaalsContact O-CB 3.23Å; E254-F258 WeakPolarHBondContact O-CB 3.16Å; E254-F258 PolarHBondContact O-N 2.72Å; E254-K319 IonicContact OE2-NZ 2.68Å |
| 255 | Y | 96.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 81.3 Ų | 81.3 | 15% | 0.153 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.1 | -72.8 | -75.4 | 0 | 0 | 0 | 112.4 | L251 G253 F258 V259 I302 K319 P325 I329 | L251-Y255 HydrophobicContact CD1-CG 4.43Å; G253-Y255 VanDerWaalsContact C-N 3.25Å; G253-Y255 PolarHBondContact O-N 2.96Å; Y255-F258 PolarHBondContact O-N 3.33Å; Y255-V259 WeakPolarHBondContact O-CB 3.36Å; Y255-V259 VanDerWaalsContact O-CG2 3.27Å; Y255-V259 WeakPolarHBondContact O-CG2 3.46Å; Y255-V259 PolarHBondContact O-N 3.27Å; Y255-I302 HydrophobicContact CD1-CD1 4.04Å; Y255-I302 HydrophobicContact CE1-CG2 4.43Å; Y255-K319 HydrophobicContact CD1-CD 4.14Å; Y255-K319 HydrophobicContact CE1-CD 3.89Å; Y255-P325 HydrophobicContact CD2-CG 3.82Å; Y255-P325 HydrophobicContact CE2-CG 3.81Å; Y255-P325 HydrophobicContact CG-CG 4.17Å; Y255-P325 VanDerWaalsContact CZ-CD 3.49Å; Y255-I329 HydrophobicContact CD1-CD1 4.49Å |
| 256 | L | 97 | Very high | 91.9 | Very high | 54 Ų | 54 | 79.5 Ų | 79.5 | 28% | 0.283 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 176.6 | -177.8 | 67.1 | 0 | 0 | 0 | 109.9 | L251 G253 F258 V259 E260 | L251-L256 HydrophobicContact CB-CD1 4.36Å; L251-L256 HydrophobicContact CG-CB 4.44Å; G253-L256 PolarHBondContact O-N 2.97Å; G253-L256 VanDerWaalsContact O-N 3.12Å; L256-F258 VanDerWaalsContact C-N 3.28Å; L256-F258 PolarHBondContact O-N 3.35Å; L256-V259 PolarHBondContact O-N 3.04Å; L256-E260 HydrophobicContact CD1-CG 3.87Å; L256-E260 HydrophobicContact CG-CG 4.35Å; L256-E260 VanDerWaalsContact O-CB 3.29Å; L256-E260 WeakPolarHBondContact O-CB 3.16Å; L256-E260 WeakPolarHBondContact O-CG 2.84Å; L256-E260 PolarHBondContact O-N 3.27Å |
| 257 | Q | 96.8 | Very high | 92.8 | Very high | 158 Ų | 158 | 77.9 Ų | 77.9 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.3 | -39.8 | 177.7 | -172.7 | 178.9 | 17.4 | 0 | 0 | 112.2 | G253 E254 | G253-Q257 PolarHBondContact O-N 2.85Å; E254-Q257 PolarHBondContact O-N 3.35Å |
| 258 | F | 97.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 178.4 | -175.9 | -96.6 | 0 | 0 | 0 | 112.4 | E254 Y255 L256 R300 I301 I302 H317 K319 | E254-F258 VanDerWaalsContact O-CB 3.23Å; E254-F258 WeakPolarHBondContact O-CB 3.16Å; E254-F258 PolarHBondContact O-N 2.72Å; Y255-F258 PolarHBondContact O-N 3.33Å; L256-F258 VanDerWaalsContact C-N 3.28Å; L256-F258 PolarHBondContact O-N 3.35Å; F258-R300 HydrophobicContact CD1-CB 4.2Å; F258-R300 HydrophobicContact CE1-CB 3.78Å; F258-R300 HydrophobicContact CE1-CG 4.45Å; F258-R300 HydrophobicContact CZ-CB 4.3Å; F258-R300 VanDerWaalsContact O-CD 3.26Å; F258-R300 WeakPolarHBondContact O-CD 3.17Å; F258-R300 VanDerWaalsContact O-CG 3.25Å; F258-R300 WeakPolarHBondContact O-CG 3.45Å; F258-I301 WeakPolarHBondContact CE1-O 2.85Å; F258-I301 WeakPolarHBondContact CZ-O 3.33Å; F258-I302 HydrophobicContact CD1-CD1 4.3Å; F258-I302 HydrophobicContact CD1-CG1 4Å; F258-I302 HydrophobicContact CE1-CG1 3.75Å; F258-H317 VanDerWaalsContact CZ-O 3.29Å; F258-H317 WeakPolarHBondContact CZ-O 3.46Å; F258-K319 HydrophobicContact CD1-CB 4.37Å; F258-K319 HydrophobicContact CD2-CB 4.34Å; F258-K319 HydrophobicContact CE1-CB 3.89Å; F258-K319 HydrophobicContact CE2-CB 3.86Å; F258-K319 HydrophobicContact CZ-CB 3.61Å |
| 259 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.8 | -32.7 | -178.2 | 166.9 | 0 | 0 | 0 | 0 | 112 | L251 Y255 L256 D261 T267 I302 H332 K334 | L251-V259 HydrophobicContact CD2-CB 3.96Å; L251-V259 HydrophobicContact CD2-CG1 4.27Å; L251-V259 HydrophobicContact CD2-CG2 3.81Å; Y255-V259 WeakPolarHBondContact O-CB 3.36Å; Y255-V259 VanDerWaalsContact O-CG2 3.27Å; Y255-V259 WeakPolarHBondContact O-CG2 3.46Å; Y255-V259 PolarHBondContact O-N 3.27Å; L256-V259 PolarHBondContact O-N 3.04Å; V259-D261 VanDerWaalsContact C-N 3.32Å; V259-D261 PolarHBondContact O-N 2.97Å; V259-T267 WeakPolarHBondContact CG1-OG1 3.4Å; V259-T267 HydrophobicContact CG2-CG2 4.12Å; V259-I302 HydrophobicContact CG2-CD1 3.85Å; V259-H332 HydrophobicContact CG1-CB 4.47Å; V259-H332 VanDerWaalsContact CG1-ND1 3.27Å; V259-H332 WeakPolarHBondContact CG1-ND1 3.31Å; V259-K334 HydrophobicContact CG1-CB 4.08Å; V259-K334 VanDerWaalsContact O-CD 3.23Å; V259-K334 WeakPolarHBondContact O-CD 3.28Å |
| 260 | E | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.4 | -176.1 | -73.5 | -165.5 | 147 | 0 | 0 | 115.3 | L256 P262 H332 K334 | L256-E260 HydrophobicContact CD1-CG 3.87Å; L256-E260 HydrophobicContact CG-CG 4.35Å; L256-E260 VanDerWaalsContact O-CB 3.29Å; L256-E260 WeakPolarHBondContact O-CB 3.16Å; L256-E260 WeakPolarHBondContact O-CG 2.84Å; L256-E260 PolarHBondContact O-N 3.27Å; E260-P262 VanDerWaalsContact O-N 3.12Å; E260-H332 IonicContact OE1-NE2 3.9Å; E260-K334 VanDerWaalsContact C-NZ 3.28Å; E260-K334 PolarHBondContact O-NZ 2.94Å |
| 261 | D | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | trans | -44.3 | 120.4 | 175.4 | 178 | 4.7 | 0 | 0 | 0 | 111.9 | V259 L263 S264 R300 K334 | V259-D261 VanDerWaalsContact C-N 3.32Å; V259-D261 PolarHBondContact O-N 2.97Å; D261-L263 PolarHBondContact O-N 2.9Å; D261-L263 PolarHBondContact OD1-N 3.43Å; D261-S264 WeakPolarHBondContact O-CB 2.93Å; D261-S264 PolarHBondContact O-N 2.92Å; D261-R300 HydrophobicContact CB-CG 4.23Å; D261-R300 IonicContact OD2-CZ 2.85Å; D261-R300 IonicContact OD2-NE 2.62Å; D261-R300 PolarHBondContact OD2-NE 2.87Å; D261-R300 IonicContact OD2-NH2 3.11Å; D261-R300 PolarHBondContact OD2-NH2 3.4Å; D261-K334 PolarHBondContact O-NZ 3.31Å; D261-K334 VanDerWaalsContact O-NZ 3.11Å | ||
| 262 | P | 95.6 | Very high | 96.7 | Very high | 117 Ų | 117 | 53.3 Ų | 53.3 | 76% | 0.76 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.3 | -178.4 | 26.9 | -35.8 | 0 | 0 | 0 | 113.8 | E260 S264 | E260-P262 VanDerWaalsContact O-N 3.12Å; P262-S264 VanDerWaalsContact C-N 3.33Å |
| 263 | L | 95.8 | Very high | 96.5 | Very high | 156 Ų | 156 | 49.9 Ų | 49.9 | 82% | 0.817 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.3 | 177.5 | -60.3 | 179.6 | 0 | 0 | 0 | 113 | D261 | D261-L263 PolarHBondContact O-N 2.9Å; D261-L263 PolarHBondContact OD1-N 3.43Å |
| 264 | S | 97.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | trans | -82.3 | 134.8 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | D261 P262 G266 R300 | D261-S264 WeakPolarHBondContact O-CB 2.93Å; D261-S264 PolarHBondContact O-N 2.92Å; P262-S264 VanDerWaalsContact C-N 3.33Å; S264-G266 PolarHBondContact O-N 3.13Å; S264-G266 PolarHBondContact OG-N 3.18Å; S264-G266 VanDerWaalsContact OG-N 3.13Å; S264-G266 PolarHBondContact OG-O 3.27Å; S264-R300 PolarHBondContact OG-N 2.92Å | ||
| 265 | K | 97.1 | Very high | 95 | Very high | 134 Ų | 134 | 49.4 Ų | 49.4 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -69.3 | -17.8 | 169.3 | -70 | -171.1 | 178.2 | -177.6 | 0 | 113.1 | Q298 Y299 E401 | K265-Q298 WeakPolarHBondContact CB-O 3.09Å; K265-Q298 HydrophobicContact CD-CB 4.13Å; K265-Q298 HydrophobicContact CD-CG 3.87Å; K265-Q298 HydrophobicContact CG-CB 4.27Å; K265-Q298 HydrophobicContact CG-CG 4.43Å; K265-Q298 PolarHBondContact N-O 2.97Å; K265-Y299 HydrophobicContact CB-CD1 3.95Å; K265-Y299 HydrophobicContact CB-CE1 3.65Å; K265-E401 IonicContact NZ-OE1 3.47Å |
| 266 | G | 98 | Very high | 94.5 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | 157 | 179 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S264 Y299 R300 K334 | S264-G266 PolarHBondContact O-N 3.13Å; S264-G266 PolarHBondContact OG-N 3.18Å; S264-G266 VanDerWaalsContact OG-N 3.13Å; S264-G266 PolarHBondContact OG-O 3.27Å; G266-Y299 WeakPolarHBondContact O-CA 3.23Å; G266-R300 PolarHBondContact O-N 3.23Å; G266-K334 CarbonylContact C-O 3.45Å; G266-K334 WeakPolarHBondContact CA-O 3.46Å | ||
| 267 | T | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.2 | 179.2 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | V259 R300 I302 I329 K334 A336 V337 | V259-T267 WeakPolarHBondContact CG1-OG1 3.4Å; V259-T267 HydrophobicContact CG2-CG2 4.12Å; T267-R300 CarbonylContact C-O 3.51Å; T267-R300 VanDerWaalsContact CA-O 3.23Å; T267-R300 WeakPolarHBondContact CA-O 3.48Å; T267-I302 HydrophobicContact CG2-CD1 4.1Å; T267-I302 HydrophobicContact CG2-CG1 4.31Å; T267-I329 HydrophobicContact CG2-CG2 4.38Å; T267-K334 PolarHBondContact N-O 3.24Å; T267-A336 PolarHBondContact O-N 2.71Å; T267-V337 PolarHBondContact O-N 2.93Å |
| 268 | I | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.6 | 168.7 | -48.5 | -59.6 | 0 | 0 | 0 | 106.7 | Y299 R300 I301 I302 A336 V337 I339 I396 | I268-Y299 HydrophobicContact CD1-CD1 4.08Å; I268-Y299 HydrophobicContact CD1-CE1 4.42Å; I268-Y299 HydrophobicContact CD1-CG 4.24Å; I268-Y299 HydrophobicContact CG1-CD1 4.22Å; I268-Y299 HydrophobicContact CG1-CD2 4.45Å; I268-Y299 HydrophobicContact CG1-CG 3.95Å; I268-R300 PolarHBondContact N-O 2.7Å; I268-I301 HydrophobicContact CB-CG1 4.37Å; I268-I301 CarbonylContact O-C 3Å; I268-I301 VanDerWaalsContact O-CA 3.31Å; I268-I301 WeakPolarHBondContact O-CA 3.46Å; I268-I302 PolarHBondContact O-N 2.84Å; I268-A336 HydrophobicContact CD1-CB 4.25Å; I268-V337 WeakPolarHBondContact CA-O 3.46Å; I268-V337 HydrophobicContact CD1-CB 3.59Å; I268-V337 HydrophobicContact CD1-CG2 3.62Å; I268-V337 HydrophobicContact CG2-CB 4.27Å; I268-I339 HydrophobicContact CG2-CD1 3.6Å; I268-I339 HydrophobicContact CG2-CG1 4.04Å; I268-I396 HydrophobicContact CD1-CG2 3.85Å; I268-I396 HydrophobicContact CG1-CG2 4.08Å; I268-I396 HydrophobicContact CG2-CG2 4.27Å |
| 269 | V | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.2 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | I302 L326 I329 L330 T335 V337 F338 I339 | V269-I302 CarbonylContact C-O 3.58Å; V269-I302 VanDerWaalsContact CA-O 3.3Å; V269-I302 WeakPolarHBondContact CA-O 3.11Å; V269-I302 HydrophobicContact CB-CB 4.48Å; V269-I302 HydrophobicContact CG2-CB 4.23Å; V269-I302 HydrophobicContact CG2-CG2 4.3Å; V269-L326 HydrophobicContact CG1-CD1 4.4Å; V269-L326 HydrophobicContact CG2-CD1 3.98Å; V269-I329 HydrophobicContact CB-CG2 3.98Å; V269-I329 HydrophobicContact CG1-CG2 4.12Å; V269-I329 HydrophobicContact CG2-CG2 4.2Å; V269-L330 HydrophobicContact CG1-CD2 3.67Å; V269-T335 HydrophobicContact CG1-CG2 4.17Å; V269-V337 PolarHBondContact N-O 3.1Å; V269-F338 HydrophobicContact CG1-CB 4.31Å; V269-F338 HydrophobicContact CG1-CD2 3.83Å; V269-F338 HydrophobicContact CG1-CG 4.31Å; V269-I339 PolarHBondContact O-N 3.3Å |
| 270 | L | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120 | 168.5 | -167 | 162.8 | 0 | 0 | 0 | 108.8 | F272 W278 V289 F293 I302 W303 Q304 I339 | L270-F272 HydrophobicContact CD1-CZ 4.5Å; L270-F272 HydrophobicContact CD2-CD1 3.94Å; L270-F272 HydrophobicContact CD2-CD2 4.33Å; L270-F272 HydrophobicContact CD2-CE1 3.92Å; L270-F272 HydrophobicContact CD2-CE2 4.31Å; L270-F272 HydrophobicContact CD2-CG 4.15Å; L270-F272 HydrophobicContact CD2-CZ 4.11Å; L270-F272 HydrophobicContact CG-CE1 4.27Å; L270-F272 HydrophobicContact CG-CZ 4.5Å; L270-W278 HydrophobicContact CD1-CZ2 4.32Å; L270-W278 HydrophobicContact CD2-CZ2 3.61Å; L270-V289 HydrophobicContact CD1-CG1 3.84Å; L270-F293 HydrophobicContact CB-CZ 4.07Å; L270-F293 HydrophobicContact CD1-CE2 4.23Å; L270-F293 HydrophobicContact CD1-CZ 3.72Å; L270-I302 PolarHBondContact N-O 3.5Å; L270-W303 HydrophobicContact CB-CG 4.48Å; L270-Q304 WeakPolarHBondContact O-CB 3.3Å; L270-Q304 PolarHBondContact O-N 3.34Å; L270-I339 WeakPolarHBondContact CA-O 3.33Å; L270-I339 HydrophobicContact CB-CB 4.05Å; L270-I339 HydrophobicContact CB-CD1 4.32Å; L270-I339 HydrophobicContact CD1-CB 4.3Å; L270-I339 HydrophobicContact CD1-CD1 4.36Å; L270-I339 HydrophobicContact CD1-CG2 3.91Å; L270-I339 HydrophobicContact CG-CB 3.88Å; L270-I339 HydrophobicContact CG-CG2 3.85Å |
| 271 | S | 97.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 126.5 | 168.1 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | G273 Q304 I339 T340 | S271-G273 PolarHBondContact OG-N 2.77Å; S271-Q304 VanDerWaalsContact CB-OE1 3.29Å; S271-Q304 PolarHBondContact OG-OE1 2.86Å; S271-I339 PolarHBondContact N-O 3.21Å; S271-T340 WeakPolarHBondContact O-CA 3.19Å; S271-T340 PolarHBondContact O-OG1 3.28Å |
| 272 | F | 94.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | trans | -104.9 | 23.1 | 173 | -64.6 | -16.1 | 0 | 0 | 0 | 112.8 | W67 L270 A276 W278 I339 H341 V360 L362 | W67-F272 AromaticContact CH2-CD2 3.66Å; W67-F272 HydrophobicContact CH2-CD2 3.66Å; W67-F272 AromaticContact CH2-CE2 3.75Å; W67-F272 HydrophobicContact CH2-CE2 3.75Å; W67-F272 HydrophobicContact CZ2-CD2 4.49Å; W67-F272 HydrophobicContact CZ3-CD2 4.32Å; W67-F272 AromaticContact CZ3-CE2 4Å; W67-F272 HydrophobicContact CZ3-CE2 4Å; L270-F272 HydrophobicContact CD1-CZ 4.5Å; L270-F272 HydrophobicContact CD2-CD1 3.94Å; L270-F272 HydrophobicContact CD2-CD2 4.33Å; L270-F272 HydrophobicContact CD2-CE1 3.92Å; L270-F272 HydrophobicContact CD2-CE2 4.31Å; L270-F272 HydrophobicContact CD2-CG 4.15Å; L270-F272 HydrophobicContact CD2-CZ 4.11Å; L270-F272 HydrophobicContact CG-CE1 4.27Å; L270-F272 HydrophobicContact CG-CZ 4.5Å; F272-A276 HydrophobicContact CB-CB 3.31Å; F272-A276 HydrophobicContact CD2-CB 4.2Å; F272-A276 HydrophobicContact CG-CB 4.25Å; F272-A276 WeakPolarHBondContact O-CB 3.42Å; F272-W278 HydrophobicContact CD2-CH2 4.22Å; F272-W278 AromaticContact CD2-CZ2 3.57Å; F272-W278 HydrophobicContact CD2-CZ2 3.57Å; F272-W278 AromaticContact CE2-CH2 3.7Å; F272-W278 HydrophobicContact CE2-CH2 3.7Å; F272-W278 AromaticContact CE2-CZ2 3.47Å; F272-W278 HydrophobicContact CE2-CZ2 3.47Å; F272-W278 VanDerWaalsContact CE2-CZ2 3.47Å; F272-W278 HydrophobicContact CG-CZ2 4.48Å; F272-W278 HydrophobicContact CZ-CH2 4.49Å; F272-W278 HydrophobicContact CZ-CZ2 4.32Å; F272-I339 HydrophobicContact CE1-CG2 4.31Å; F272-H341 WeakPolarHBondContact CA-ND1 3.43Å; F272-H341 HydrophobicContact CB-CB 4.45Å; F272-H341 HydrophobicContact CD1-CB 4.01Å; F272-H341 VanDerWaalsContact CD1-N 3.25Å; F272-H341 HydrophobicContact CG-CB 4.28Å; F272-H341 PolarHBondContact O-CE1 2.57Å; F272-H341 PolarHBondContact O-ND1 3.08Å; F272-V360 HydrophobicContact CE1-CB 4.11Å; F272-V360 HydrophobicContact CZ-CB 3.8Å; F272-V360 HydrophobicContact CZ-CG1 4.15Å; F272-V360 HydrophobicContact CZ-CG2 4.24Å; F272-L362 HydrophobicContact CB-CD1 4.44Å; F272-L362 HydrophobicContact CD2-CD1 4.07Å; F272-L362 HydrophobicContact CG-CD1 4.41Å | ||
| 273 | G | 87.4 | Confident | 93.1 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -149.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S271 Q304 | S271-G273 PolarHBondContact OG-N 2.77Å; G273-Q304 PolarHBondContact O-NE2 2.79Å; G273-Q304 VanDerWaalsContact O-NE2 3.16Å |
| 274 | H | 81.5 | Confident | 93.1 | Very high | 114 Ų | 114 | 36.6 Ų | 36.6 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -25.2 | -172.5 | -64.2 | 80.4 | 0 | 0 | 0 | 113.9 | W323 | H274-W323 AromaticContact CD2-CH2 3.86Å; H274-W323 AromaticContact CD2-CZ3 3.9Å; H274-W323 AromaticContact CE1-CH2 3.25Å; H274-W323 WeakPolarHBondContact CE1-CH2 3.34Å; H274-W323 AromaticContact CE1-CZ2 3.98Å; H274-W323 AromaticContact ND1-CH2 3.68Å; H274-W323 AromaticContact NE2-CH2 3.4Å; H274-W323 WeakPolarHBondContact NE2-CH2 3.31Å; H274-W323 AromaticContact NE2-CZ3 3.92Å |
| 275 | F | 77.7 | Confident | 93 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -18.1 | -171.3 | -68.5 | -69.3 | 0 | 0 | 0 | 114.4 | V6 S8 M58 D277 F363 | V6-F275 HydrophobicContact CG1-CE1 4.22Å; V6-F275 HydrophobicContact CG1-CE2 4.45Å; V6-F275 HydrophobicContact CG1-CZ 3.52Å; S8-F275 WeakPolarHBondContact OG-CE2 3.25Å; S8-F275 VanDerWaalsContact OG-CZ 3.24Å; S8-F275 WeakPolarHBondContact OG-CZ 3.28Å; M58-F275 HydrophobicContact CE-CE1 4.08Å; M58-F275 HydrophobicContact SD-CD1 3.97Å; M58-F275 HydrophobicContact SD-CE1 3.67Å; F275-D277 PolarHBondContact O-N 2.71Å; F275-D277 VanDerWaalsContact O-N 3.13Å; F275-F363 HydrophobicContact CB-CE1 4.33Å; F275-F363 HydrophobicContact CB-CZ 4.04Å; F275-F363 HydrophobicContact CG-CZ 4.47Å |
| 276 | A | 84.5 | Confident | 93 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | trans | -81.3 | 96.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | W67 F272 W278 L362 | W67-A276 HydrophobicContact CZ2-CB 4.12Å; F272-A276 HydrophobicContact CB-CB 3.31Å; F272-A276 HydrophobicContact CD2-CB 4.2Å; F272-A276 HydrophobicContact CG-CB 4.25Å; F272-A276 WeakPolarHBondContact O-CB 3.42Å; A276-W278 PolarHBondContact O-N 3.09Å; A276-L362 HydrophobicContact CB-CD1 3.52Å | ||
| 277 | D | 88.3 | Confident | 93 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 23% | 0.225 | 20% | 0.199 | C | C | . | . | trans | -79.7 | 112.9 | 170.6 | -167.5 | -4.1 | 0 | 0 | 0 | 110.2 | W67 F275 K279 A280 N306 | W67-D277 PolarHBondContact NE1-O 3.35Å; F275-D277 PolarHBondContact O-N 2.71Å; F275-D277 VanDerWaalsContact O-N 3.13Å; D277-K279 PolarHBondContact O-N 3.08Å; D277-K279 VanDerWaalsContact OD1-CB 3.31Å; D277-K279 WeakPolarHBondContact OD1-CB 3.32Å; D277-K279 VanDerWaalsContact OD1-CG 3.27Å; D277-K279 WeakPolarHBondContact OD1-CG 3.38Å; D277-K279 PolarHBondContact OD1-N 3.5Å; D277-A280 PolarHBondContact O-N 3.3Å; D277-N306 PolarHBondContact OD1-ND2 3.4Å; D277-N306 PolarHBondContact OD1-OD1 2.77Å | ||
| 278 | W | 93.6 | Very high | 93 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -66.9 | -17.5 | 175.5 | -76.5 | 96.8 | 0 | 0 | 0 | 113.2 | W67 L270 F272 A276 A280 A281 I286 V289 W303 Q304 F305 N306 | W67-W278 HydrophobicContact CH2-CD2 4.02Å; W67-W278 AromaticContact CH2-CE3 3.88Å; W67-W278 HydrophobicContact CH2-CE3 3.88Å; W67-W278 HydrophobicContact CH2-CH2 4.07Å; W67-W278 HydrophobicContact CH2-CZ2 4.19Å; W67-W278 AromaticContact CH2-CZ3 3.91Å; W67-W278 HydrophobicContact CH2-CZ3 3.91Å; W67-W278 HydrophobicContact CZ2-CD2 4.35Å; W67-W278 HydrophobicContact CZ2-CE3 4.41Å; W67-W278 HydrophobicContact CZ3-CH2 4.47Å; W67-W278 HydrophobicContact CZ3-CZ3 4.26Å; L270-W278 HydrophobicContact CD1-CZ2 4.32Å; L270-W278 HydrophobicContact CD2-CZ2 3.61Å; F272-W278 HydrophobicContact CD2-CH2 4.22Å; F272-W278 AromaticContact CD2-CZ2 3.57Å; F272-W278 HydrophobicContact CD2-CZ2 3.57Å; F272-W278 AromaticContact CE2-CH2 3.7Å; F272-W278 HydrophobicContact CE2-CH2 3.7Å; F272-W278 AromaticContact CE2-CZ2 3.47Å; F272-W278 HydrophobicContact CE2-CZ2 3.47Å; F272-W278 VanDerWaalsContact CE2-CZ2 3.47Å; F272-W278 HydrophobicContact CG-CZ2 4.48Å; F272-W278 HydrophobicContact CZ-CH2 4.49Å; F272-W278 HydrophobicContact CZ-CZ2 4.32Å; A276-W278 PolarHBondContact O-N 3.09Å; W278-A280 PolarHBondContact O-N 2.99Å; W278-A281 HydrophobicContact CE3-CB 3.89Å; W278-A281 HydrophobicContact CZ3-CB 4.44Å; W278-A281 WeakPolarHBondContact O-CB 3.39Å; W278-A281 PolarHBondContact O-N 3.13Å; W278-I286 HydrophobicContact CE3-CG1 3.99Å; W278-I286 HydrophobicContact CZ3-CG1 4.29Å; W278-V289 HydrophobicContact CH2-CG2 4.14Å; W278-W303 HydrophobicContact CD2-CZ2 4.49Å; W278-W303 AromaticContact CE2-NE1 3.56Å; W278-W303 HydrophobicContact CE3-CZ2 4.25Å; W278-W303 AromaticContact CH2-CZ2 3.98Å; W278-W303 HydrophobicContact CH2-CZ2 3.98Å; W278-W303 AromaticContact CH2-NE1 3.94Å; W278-W303 HydrophobicContact CZ2-CZ2 4.23Å; W278-W303 AromaticContact CZ2-NE1 3.36Å; W278-W303 AromaticContact CZ3-CZ2 3.99Å; W278-W303 HydrophobicContact CZ3-CZ2 3.99Å; W278-W303 AromaticContact NE1-NE1 3.89Å; W278-Q304 PolarHBondContact NE1-O 3.42Å; W278-F305 HydrophobicContact CB-CD2 3.55Å; W278-F305 HydrophobicContact CB-CE2 3.51Å; W278-F305 HydrophobicContact CB-CG 4.43Å; W278-F305 HydrophobicContact CB-CZ 4.38Å; W278-F305 AromaticContact CD1-CD2 3.83Å; W278-F305 AromaticContact CD2-CD2 3.52Å; W278-F305 HydrophobicContact CD2-CD2 3.52Å; W278-F305 AromaticContact CD2-CE2 3.87Å; W278-F305 HydrophobicContact CD2-CE2 3.87Å; W278-F305 AromaticContact CE3-CD2 3.96Å; W278-F305 HydrophobicContact CE3-CD2 3.96Å; W278-F305 AromaticContact CE3-CE2 3.9Å; W278-F305 HydrophobicContact CE3-CE2 3.9Å; W278-F305 AromaticContact CG-CD2 3.33Å; W278-F305 HydrophobicContact CG-CD2 3.33Å; W278-F305 AromaticContact CG-CE2 3.74Å; W278-F305 HydrophobicContact CG-CE2 3.74Å; W278-F305 HydrophobicContact CG-CG 4.27Å; W278-N306 WeakPolarHBondContact CB-OD1 3.11Å; W278-N306 PolarHBondContact N-OD1 2.94Å |
| 279 | K | 92.4 | Very high | 93 | Very high | 150 Ų | 150 | 35.4 Ų | 35.4 | 65% | 0.652 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -66.1 | -29.7 | 173.9 | -60.2 | 170.6 | -171 | 172.9 | 0 | 112.2 | D277 N306 | D277-K279 PolarHBondContact O-N 3.08Å; D277-K279 VanDerWaalsContact OD1-CB 3.31Å; D277-K279 WeakPolarHBondContact OD1-CB 3.32Å; D277-K279 VanDerWaalsContact OD1-CG 3.27Å; D277-K279 WeakPolarHBondContact OD1-CG 3.38Å; D277-K279 PolarHBondContact OD1-N 3.5Å; K279-N306 WeakPolarHBondContact CE-O 3.41Å |
| 280 | A | 91.2 | Very high | 93 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -86 | -9.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | D63 D277 W278 | D63-A280 HydrophobicContact CB-CB 4.15Å; D277-A280 PolarHBondContact O-N 3.3Å; W278-A280 PolarHBondContact O-N 2.99Å |
| 281 | A | 93.2 | Very high | 93 | Very high | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -69.3 | 141 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W67 W278 A283 I286 | W67-A281 HydrophobicContact CD2-CB 3.76Å; W67-A281 HydrophobicContact CE3-CB 3.95Å; W67-A281 HydrophobicContact CG-CB 4.31Å; W67-A281 HydrophobicContact CH2-CB 4Å; W67-A281 HydrophobicContact CZ2-CB 3.84Å; W67-A281 HydrophobicContact CZ3-CB 4.06Å; W278-A281 HydrophobicContact CE3-CB 3.89Å; W278-A281 HydrophobicContact CZ3-CB 4.44Å; W278-A281 WeakPolarHBondContact O-CB 3.39Å; W278-A281 PolarHBondContact O-N 3.13Å; A281-A283 PolarHBondContact O-N 3.43Å; A281-I286 HydrophobicContact CB-CD1 4.27Å; A281-I286 HydrophobicContact CB-CG1 4.1Å |
| 282 | P | 94.2 | Very high | 93 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 16% | 0.156 | 22% | 0.215 | C | C | . | . | trans | -57 | 137.6 | 173.2 | -24.7 | 32.9 | 0 | 0 | 0 | 111.8 | R68 A284 T285 I286 | R68-P282 HydrophobicContact CG-CG 4.2Å; P282-A284 PolarHBondContact O-N 2.8Å; P282-A284 VanDerWaalsContact O-N 3.13Å; P282-T285 WeakPolarHBondContact O-CA 3.46Å; P282-T285 WeakPolarHBondContact O-CB 3.27Å; P282-T285 PolarHBondContact O-N 2.83Å; P282-I286 PolarHBondContact O-N 3Å; P282-I286 VanDerWaalsContact O-N 3.17Å | ||
| 283 | A | 95.3 | Very high | 93.2 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 61% | 0.612 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -53.7 | -37.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A281 T285 I286 Q287 | A281-A283 PolarHBondContact O-N 3.43Å; A283-T285 VanDerWaalsContact C-N 3.32Å; A283-T285 PolarHBondContact O-N 3.23Å; A283-I286 PolarHBondContact O-N 3.15Å; A283-Q287 WeakPolarHBondContact O-CB 3.18Å; A283-Q287 VanDerWaalsContact O-CG 3.29Å; A283-Q287 WeakPolarHBondContact O-CG 3.36Å; A283-Q287 PolarHBondContact O-N 3.17Å |
| 284 | A | 95.6 | Very high | 93.7 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 63% | 0.628 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -60 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P282 A288 | P282-A284 PolarHBondContact O-N 2.8Å; P282-A284 VanDerWaalsContact O-N 3.13Å; A284-A288 VanDerWaalsContact O-CB 3.3Å; A284-A288 WeakPolarHBondContact O-CB 3.43Å; A284-A288 PolarHBondContact O-N 2.68Å |
| 285 | T | 96.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | W67 P282 A283 Q287 A288 V289 L387 | W67-T285 HydrophobicContact CZ3-CG2 4.3Å; P282-T285 WeakPolarHBondContact O-CA 3.46Å; P282-T285 WeakPolarHBondContact O-CB 3.27Å; P282-T285 PolarHBondContact O-N 2.83Å; A283-T285 VanDerWaalsContact C-N 3.32Å; A283-T285 PolarHBondContact O-N 3.23Å; T285-Q287 VanDerWaalsContact C-N 3.35Å; T285-Q287 PolarHBondContact O-N 2.78Å; T285-A288 PolarHBondContact O-N 2.88Å; T285-V289 WeakPolarHBondContact O-CG2 3.35Å; T285-V289 PolarHBondContact O-N 2.8Å; T285-L387 HydrophobicContact CG2-CD2 3.98Å |
| 286 | I | 97.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 176.6 | -62.1 | 174.1 | 0 | 0 | 0 | 110.3 | W278 A281 P282 A283 V289 S290 W303 F305 V311 V312 | W278-I286 HydrophobicContact CE3-CG1 3.99Å; W278-I286 HydrophobicContact CZ3-CG1 4.29Å; A281-I286 HydrophobicContact CB-CD1 4.27Å; A281-I286 HydrophobicContact CB-CG1 4.1Å; P282-I286 PolarHBondContact O-N 3Å; P282-I286 VanDerWaalsContact O-N 3.17Å; A283-I286 PolarHBondContact O-N 3.15Å; I286-V289 PolarHBondContact O-N 3.1Å; I286-S290 VanDerWaalsContact O-CB 3.29Å; I286-S290 WeakPolarHBondContact O-CB 3.31Å; I286-S290 PolarHBondContact O-N 2.86Å; I286-W303 HydrophobicContact CG2-CH2 4.25Å; I286-F305 HydrophobicContact CD1-CE2 4.29Å; I286-F305 HydrophobicContact CD1-CZ 4.46Å; I286-F305 HydrophobicContact CG1-CE2 4.35Å; I286-F305 HydrophobicContact CG2-CE2 4.18Å; I286-F305 HydrophobicContact CG2-CZ 4.28Å; I286-V311 HydrophobicContact CG2-CG2 4.08Å; I286-V312 HydrophobicContact CG2-CG1 3.59Å |
| 287 | Q | 98 | Very high | 96.1 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.6 | -71.6 | -57.4 | -25.8 | 0 | 0 | 112.7 | A283 T285 S291 V311 | A283-Q287 WeakPolarHBondContact O-CB 3.18Å; A283-Q287 VanDerWaalsContact O-CG 3.29Å; A283-Q287 WeakPolarHBondContact O-CG 3.36Å; A283-Q287 PolarHBondContact O-N 3.17Å; T285-Q287 VanDerWaalsContact C-N 3.35Å; T285-Q287 PolarHBondContact O-N 2.78Å; Q287-S291 WeakPolarHBondContact O-CB 3.44Å; Q287-S291 PolarHBondContact O-N 3.46Å; Q287-S291 PolarHBondContact O-OG 2.97Å; Q287-V311 PolarHBondContact NE2-O 2.64Å |
| 288 | A | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A284 T285 A292 L387 | A284-A288 VanDerWaalsContact O-CB 3.3Å; A284-A288 WeakPolarHBondContact O-CB 3.43Å; A284-A288 PolarHBondContact O-N 2.68Å; T285-A288 PolarHBondContact O-N 2.88Å; A288-A292 WeakPolarHBondContact O-CB 3.37Å; A288-A292 PolarHBondContact O-N 3.25Å; A288-L387 VanDerWaalsContact CB-O 3.27Å; A288-L387 WeakPolarHBondContact CB-O 3.47Å |
| 289 | V | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -51.9 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111 | L270 W278 T285 I286 S291 A292 F293 W303 L387 L392 | L270-V289 HydrophobicContact CD1-CG1 3.84Å; W278-V289 HydrophobicContact CH2-CG2 4.14Å; T285-V289 WeakPolarHBondContact O-CG2 3.35Å; T285-V289 PolarHBondContact O-N 2.8Å; I286-V289 PolarHBondContact O-N 3.1Å; V289-S291 PolarHBondContact O-N 3.01Å; V289-A292 PolarHBondContact O-N 3.37Å; V289-F293 HydrophobicContact CG1-CD2 3.96Å; V289-F293 HydrophobicContact CG1-CE1 4.34Å; V289-F293 HydrophobicContact CG1-CE2 3.46Å; V289-F293 VanDerWaalsContact CG1-CE2 3.46Å; V289-F293 HydrophobicContact CG1-CZ 3.69Å; V289-F293 WeakPolarHBondContact O-CG 3.48Å; V289-F293 PolarHBondContact O-N 3.49Å; V289-F293 VanDerWaalsContact O-N 3.09Å; V289-W303 HydrophobicContact CB-CH2 4.04Å; V289-W303 HydrophobicContact CB-CZ2 4.07Å; V289-W303 HydrophobicContact CG1-CD2 4.21Å; V289-W303 HydrophobicContact CG1-CE3 4.34Å; V289-W303 HydrophobicContact CG1-CH2 3.69Å; V289-W303 HydrophobicContact CG1-CZ2 3.54Å; V289-W303 HydrophobicContact CG1-CZ3 4.09Å; V289-L387 HydrophobicContact CG2-CD2 3.9Å; V289-L392 HydrophobicContact CB-CD2 4.19Å; V289-L392 HydrophobicContact CG1-CD2 4.32Å; V289-L392 HydrophobicContact CG2-CD2 3.87Å |
| 290 | S | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.2 | -50.9 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | I286 A292 F293 E294 T313 | I286-S290 VanDerWaalsContact O-CB 3.29Å; I286-S290 WeakPolarHBondContact O-CB 3.31Å; I286-S290 PolarHBondContact O-N 2.86Å; S290-A292 VanDerWaalsContact C-N 3.33Å; S290-A292 PolarHBondContact O-N 2.9Å; S290-F293 PolarHBondContact O-N 3.3Å; S290-F293 VanDerWaalsContact O-N 3.16Å; S290-E294 WeakPolarHBondContact O-CG 3.5Å; S290-E294 PolarHBondContact O-N 3.19Å; S290-T313 WeakPolarHBondContact OG-CB 3.09Å; S290-T313 PolarHBondContact OG-N 3.02Å |
| 291 | S | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -32.2 | -178.6 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | Q287 V289 K389 | Q287-S291 WeakPolarHBondContact O-CB 3.44Å; Q287-S291 PolarHBondContact O-N 3.46Å; Q287-S291 PolarHBondContact O-OG 2.97Å; V289-S291 PolarHBondContact O-N 3.01Å; S291-K389 VanDerWaalsContact O-CE 3.31Å; S291-K389 WeakPolarHBondContact O-CE 3.33Å |
| 292 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A288 V289 S290 N295 L296 K389 L392 | A288-A292 WeakPolarHBondContact O-CB 3.37Å; A288-A292 PolarHBondContact O-N 3.25Å; V289-A292 PolarHBondContact O-N 3.37Å; S290-A292 VanDerWaalsContact C-N 3.33Å; S290-A292 PolarHBondContact O-N 2.9Å; A292-N295 PolarHBondContact O-N 2.7Å; A292-L296 WeakPolarHBondContact O-CG 2.96Å; A292-K389 HydrophobicContact CB-CG 4.36Å; A292-L392 HydrophobicContact CB-CB 4.19Å; A292-L392 HydrophobicContact CB-CD2 3.92Å; A292-L392 HydrophobicContact CB-CG 4.12Å |
| 293 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -35.8 | 178.8 | -68 | -9.9 | 0 | 0 | 0 | 113.2 | L270 V289 S290 N295 L296 I301 W303 H317 V318 I339 L392 I396 | L270-F293 HydrophobicContact CB-CZ 4.07Å; L270-F293 HydrophobicContact CD1-CE2 4.23Å; L270-F293 HydrophobicContact CD1-CZ 3.72Å; V289-F293 HydrophobicContact CG1-CD2 3.96Å; V289-F293 HydrophobicContact CG1-CE1 4.34Å; V289-F293 HydrophobicContact CG1-CE2 3.46Å; V289-F293 VanDerWaalsContact CG1-CE2 3.46Å; V289-F293 HydrophobicContact CG1-CZ 3.69Å; V289-F293 WeakPolarHBondContact O-CG 3.48Å; V289-F293 PolarHBondContact O-N 3.49Å; V289-F293 VanDerWaalsContact O-N 3.09Å; S290-F293 PolarHBondContact O-N 3.3Å; S290-F293 VanDerWaalsContact O-N 3.16Å; F293-N295 PolarHBondContact O-N 3.17Å; F293-L296 HydrophobicContact CD1-CD1 4.29Å; F293-L296 PolarHBondContact O-N 2.98Å; F293-L296 VanDerWaalsContact O-N 3.14Å; F293-I301 HydrophobicContact CB-CD1 3.59Å; F293-I301 HydrophobicContact CB-CG2 4.5Å; F293-I301 HydrophobicContact CD1-CD1 3.79Å; F293-I301 HydrophobicContact CD1-CG2 4.1Å; F293-I301 HydrophobicContact CD2-CG2 3.69Å; F293-I301 HydrophobicContact CE1-CG2 4.16Å; F293-I301 HydrophobicContact CE2-CG2 3.75Å; F293-I301 HydrophobicContact CG-CD1 3.77Å; F293-I301 HydrophobicContact CG-CG2 3.85Å; F293-I301 HydrophobicContact CZ-CG2 3.98Å; F293-W303 HydrophobicContact CD2-CD2 4.2Å; F293-W303 AromaticContact CD2-CE3 3.76Å; F293-W303 HydrophobicContact CD2-CE3 3.76Å; F293-W303 HydrophobicContact CD2-CZ3 4.31Å; F293-W303 HydrophobicContact CE2-CB 3.99Å; F293-W303 AromaticContact CE2-CD2 3.73Å; F293-W303 HydrophobicContact CE2-CD2 3.73Å; F293-W303 AromaticContact CE2-CE3 3.8Å; F293-W303 HydrophobicContact CE2-CE3 3.8Å; F293-W303 AromaticContact CE2-CG 3.83Å; F293-W303 HydrophobicContact CE2-CG 3.83Å; F293-H317 PolarHBondContact O-NE2 2.77Å; F293-V318 HydrophobicContact CB-CG2 4.23Å; F293-V318 HydrophobicContact CD2-CG1 4.41Å; F293-I339 HydrophobicContact CE1-CD1 3.73Å; F293-I339 HydrophobicContact CZ-CD1 3.88Å; F293-L392 HydrophobicContact CE1-CD2 4.48Å; F293-I396 HydrophobicContact CD1-CD1 4.45Å; F293-I396 HydrophobicContact CE1-CD1 3.98Å |
| 294 | E | 98.1 | Very high | 98 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.5 | -32.8 | 173.5 | -72.3 | -166.6 | 146.3 | 0 | 0 | 113.7 | S290 Q297 T313 R315 | S290-E294 WeakPolarHBondContact O-CG 3.5Å; S290-E294 PolarHBondContact O-N 3.19Å; E294-Q297 WeakPolarHBondContact O-CG 3.46Å; E294-Q297 PolarHBondContact O-NE2 3.16Å; E294-T313 HydrophobicContact CG-CG2 4.12Å; E294-T313 WeakPolarHBondContact CG-OG1 3.24Å; E294-T313 WeakPolarHBondContact OE1-CB 3.16Å; E294-T313 PolarHBondContact OE1-OG1 3.33Å; E294-R315 HydrophobicContact CG-CG 4.15Å; E294-R315 IonicContact OE1-NE 3.61Å |
| 295 | N | 97.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 26.2 Ų | 26.2 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0.4 | -177.6 | -79.5 | 4.6 | 0 | 0 | 0 | 113.6 | A292 F293 K389 Y393 | A292-N295 PolarHBondContact O-N 2.7Å; F293-N295 PolarHBondContact O-N 3.17Å; N295-K389 WeakPolarHBondContact ND2-CE 3.5Å; N295-K389 PolarHBondContact ND2-NZ 2.94Å; N295-K389 VanDerWaalsContact ND2-NZ 3.11Å; N295-Y393 HydrophobicContact CB-CD2 4.05Å; N295-Y393 HydrophobicContact CB-CE2 4.03Å; N295-Y393 WeakPolarHBondContact O-CE2 3.28Å |
| 296 | L | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -106.2 | 42.2 | -178.8 | -73.5 | 167 | 0 | 0 | 0 | 111.7 | A292 F293 Q298 Y299 I301 Y393 I396 V397 | A292-L296 WeakPolarHBondContact O-CG 2.96Å; F293-L296 HydrophobicContact CD1-CD1 4.29Å; F293-L296 PolarHBondContact O-N 2.98Å; F293-L296 VanDerWaalsContact O-N 3.14Å; L296-Q298 PolarHBondContact O-N 2.7Å; L296-Q298 VanDerWaalsContact O-N 3.09Å; L296-Y299 HydrophobicContact CB-CD2 4.27Å; L296-Y299 HydrophobicContact CD2-CD2 3.91Å; L296-Y299 HydrophobicContact CD2-CE2 4.07Å; L296-Y299 PolarHBondContact O-N 2.71Å; L296-I301 HydrophobicContact CB-CD1 3.82Å; L296-I301 HydrophobicContact CD1-CD1 4.36Å; L296-Y393 HydrophobicContact CD1-CD2 4.39Å; L296-Y393 HydrophobicContact CD2-CD2 3.72Å; L296-Y393 HydrophobicContact CD2-CE2 3.53Å; L296-Y393 HydrophobicContact CG-CD2 3.74Å; L296-Y393 HydrophobicContact CG-CE2 3.88Å; L296-I396 HydrophobicContact CD1-CB 4.29Å; L296-I396 HydrophobicContact CD1-CD1 3.67Å; L296-I396 HydrophobicContact CD1-CG2 3.93Å; L296-I396 HydrophobicContact CD2-CG2 4.36Å; L296-V397 HydrophobicContact CD2-CG2 3.85Å | ||
| 297 | Q | 97.5 | Very high | 97.9 | Very high | 133 Ų | 133 | 28.3 Ų | 28.3 | 62% | 0.621 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.6 | -175 | -63.6 | 167 | 0.9 | 0 | 0 | 113.9 | E294 Y299 | E294-Q297 WeakPolarHBondContact O-CG 3.46Å; E294-Q297 PolarHBondContact O-NE2 3.16Å; Q297-Y299 PolarHBondContact O-N 2.63Å |
| 298 | Q | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 28.7 Ų | 28.7 | 24% | 0.243 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.3 | 174.4 | 71.9 | -81.7 | 21.6 | 0 | 0 | 113.7 | K265 L296 | K265-Q298 WeakPolarHBondContact CB-O 3.09Å; K265-Q298 HydrophobicContact CD-CB 4.13Å; K265-Q298 HydrophobicContact CD-CG 3.87Å; K265-Q298 HydrophobicContact CG-CB 4.27Å; K265-Q298 HydrophobicContact CG-CG 4.43Å; K265-Q298 PolarHBondContact N-O 2.97Å; L296-Q298 PolarHBondContact O-N 2.7Å; L296-Q298 VanDerWaalsContact O-N 3.09Å |
| 299 | Y | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -120.5 | 157.9 | 177.8 | -63.3 | -76.1 | 0 | 0 | 0 | 111.2 | K265 G266 I268 L296 Q297 H317 A400 | K265-Y299 HydrophobicContact CB-CD1 3.95Å; K265-Y299 HydrophobicContact CB-CE1 3.65Å; G266-Y299 WeakPolarHBondContact O-CA 3.23Å; I268-Y299 HydrophobicContact CD1-CD1 4.08Å; I268-Y299 HydrophobicContact CD1-CE1 4.42Å; I268-Y299 HydrophobicContact CD1-CG 4.24Å; I268-Y299 HydrophobicContact CG1-CD1 4.22Å; I268-Y299 HydrophobicContact CG1-CD2 4.45Å; I268-Y299 HydrophobicContact CG1-CG 3.95Å; L296-Y299 HydrophobicContact CB-CD2 4.27Å; L296-Y299 HydrophobicContact CD2-CD2 3.91Å; L296-Y299 HydrophobicContact CD2-CE2 4.07Å; L296-Y299 PolarHBondContact O-N 2.71Å; Q297-Y299 PolarHBondContact O-N 2.63Å; Y299-H317 PolarHBondContact O-CD2 2.75Å; Y299-A400 HydrophobicContact CE1-CB 4.24Å; Y299-A400 WeakPolarHBondContact OH-CB 3.21Å |
| 300 | R | 98.7 | Very high | 97.6 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.8 | 164.9 | -71.3 | -76.6 | 175 | 179.5 | -2 | 108.5 | F258 D261 S264 G266 T267 I268 S316 | F258-R300 HydrophobicContact CD1-CB 4.2Å; F258-R300 HydrophobicContact CE1-CB 3.78Å; F258-R300 HydrophobicContact CE1-CG 4.45Å; F258-R300 HydrophobicContact CZ-CB 4.3Å; F258-R300 VanDerWaalsContact O-CD 3.26Å; F258-R300 WeakPolarHBondContact O-CD 3.17Å; F258-R300 VanDerWaalsContact O-CG 3.25Å; F258-R300 WeakPolarHBondContact O-CG 3.45Å; D261-R300 HydrophobicContact CB-CG 4.23Å; D261-R300 IonicContact OD2-CZ 2.85Å; D261-R300 IonicContact OD2-NE 2.62Å; D261-R300 PolarHBondContact OD2-NE 2.87Å; D261-R300 IonicContact OD2-NH2 3.11Å; D261-R300 PolarHBondContact OD2-NH2 3.4Å; S264-R300 PolarHBondContact OG-N 2.92Å; G266-R300 PolarHBondContact O-N 3.23Å; T267-R300 CarbonylContact C-O 3.51Å; T267-R300 VanDerWaalsContact CA-O 3.23Å; T267-R300 WeakPolarHBondContact CA-O 3.48Å; I268-R300 PolarHBondContact N-O 2.7Å; R300-S316 PolarHBondContact NH1-O 2.83Å |
| 301 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.7 | -173.9 | -55.6 | 179.2 | 0 | 0 | 0 | 109.1 | F258 I268 F293 L296 H317 V318 K319 | F258-I301 WeakPolarHBondContact CE1-O 2.85Å; F258-I301 WeakPolarHBondContact CZ-O 3.33Å; I268-I301 HydrophobicContact CB-CG1 4.37Å; I268-I301 CarbonylContact O-C 3Å; I268-I301 VanDerWaalsContact O-CA 3.31Å; I268-I301 WeakPolarHBondContact O-CA 3.46Å; F293-I301 HydrophobicContact CB-CD1 3.59Å; F293-I301 HydrophobicContact CB-CG2 4.5Å; F293-I301 HydrophobicContact CD1-CD1 3.79Å; F293-I301 HydrophobicContact CD1-CG2 4.1Å; F293-I301 HydrophobicContact CD2-CG2 3.69Å; F293-I301 HydrophobicContact CE1-CG2 4.16Å; F293-I301 HydrophobicContact CE2-CG2 3.75Å; F293-I301 HydrophobicContact CG-CD1 3.77Å; F293-I301 HydrophobicContact CG-CG2 3.85Å; F293-I301 HydrophobicContact CZ-CG2 3.98Å; L296-I301 HydrophobicContact CB-CD1 3.82Å; L296-I301 HydrophobicContact CD1-CD1 4.36Å; I301-H317 PolarHBondContact N-O 2.99Å; I301-V318 HydrophobicContact CB-CB 4.45Å; I301-V318 HydrophobicContact CB-CG1 4.21Å; I301-V318 HydrophobicContact CB-CG2 4.21Å; I301-V318 HydrophobicContact CD1-CG2 4.26Å; I301-V318 HydrophobicContact CG2-CG1 4.16Å; I301-V318 CarbonylContact O-C 3.55Å; I301-V318 WeakPolarHBondContact O-CA 3.47Å; I301-K319 PolarHBondContact O-N 3.31Å |
| 302 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.3 | 171.9 | -61.1 | 174.5 | 0 | 0 | 0 | 107.4 | Y255 F258 V259 T267 I268 V269 L270 K319 V324 I329 | Y255-I302 HydrophobicContact CD1-CD1 4.04Å; Y255-I302 HydrophobicContact CE1-CG2 4.43Å; F258-I302 HydrophobicContact CD1-CD1 4.3Å; F258-I302 HydrophobicContact CD1-CG1 4Å; F258-I302 HydrophobicContact CE1-CG1 3.75Å; V259-I302 HydrophobicContact CG2-CD1 3.85Å; T267-I302 HydrophobicContact CG2-CD1 4.1Å; T267-I302 HydrophobicContact CG2-CG1 4.31Å; I268-I302 PolarHBondContact O-N 2.84Å; V269-I302 CarbonylContact C-O 3.58Å; V269-I302 VanDerWaalsContact CA-O 3.3Å; V269-I302 WeakPolarHBondContact CA-O 3.11Å; V269-I302 HydrophobicContact CB-CB 4.48Å; V269-I302 HydrophobicContact CG2-CB 4.23Å; V269-I302 HydrophobicContact CG2-CG2 4.3Å; L270-I302 PolarHBondContact N-O 3.5Å; I302-K319 CarbonylContact C-O 3.52Å; I302-K319 WeakPolarHBondContact CA-O 3.23Å; I302-V324 HydrophobicContact CG2-CB 4.2Å; I302-V324 HydrophobicContact CG2-CG1 3.64Å; I302-I329 HydrophobicContact CD1-CD1 3.72Å; I302-I329 HydrophobicContact CD1-CG1 4Å; I302-I329 HydrophobicContact CD1-CG2 4.11Å; I302-I329 HydrophobicContact CG2-CD1 4.06Å |
| 303 | W | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.5 | -178.5 | -175.4 | 6.2 | 0 | 0 | 0 | 110.3 | L270 W278 I286 V289 F293 F305 V312 K319 I320 E321 | L270-W303 HydrophobicContact CB-CG 4.48Å; W278-W303 HydrophobicContact CD2-CZ2 4.49Å; W278-W303 AromaticContact CE2-NE1 3.56Å; W278-W303 HydrophobicContact CE3-CZ2 4.25Å; W278-W303 AromaticContact CH2-CZ2 3.98Å; W278-W303 HydrophobicContact CH2-CZ2 3.98Å; W278-W303 AromaticContact CH2-NE1 3.94Å; W278-W303 HydrophobicContact CZ2-CZ2 4.23Å; W278-W303 AromaticContact CZ2-NE1 3.36Å; W278-W303 AromaticContact CZ3-CZ2 3.99Å; W278-W303 HydrophobicContact CZ3-CZ2 3.99Å; W278-W303 AromaticContact NE1-NE1 3.89Å; I286-W303 HydrophobicContact CG2-CH2 4.25Å; V289-W303 HydrophobicContact CB-CH2 4.04Å; V289-W303 HydrophobicContact CB-CZ2 4.07Å; V289-W303 HydrophobicContact CG1-CD2 4.21Å; V289-W303 HydrophobicContact CG1-CE3 4.34Å; V289-W303 HydrophobicContact CG1-CH2 3.69Å; V289-W303 HydrophobicContact CG1-CZ2 3.54Å; V289-W303 HydrophobicContact CG1-CZ3 4.09Å; F293-W303 HydrophobicContact CD2-CD2 4.2Å; F293-W303 AromaticContact CD2-CE3 3.76Å; F293-W303 HydrophobicContact CD2-CE3 3.76Å; F293-W303 HydrophobicContact CD2-CZ3 4.31Å; F293-W303 HydrophobicContact CE2-CB 3.99Å; F293-W303 AromaticContact CE2-CD2 3.73Å; F293-W303 HydrophobicContact CE2-CD2 3.73Å; F293-W303 AromaticContact CE2-CE3 3.8Å; F293-W303 HydrophobicContact CE2-CE3 3.8Å; F293-W303 AromaticContact CE2-CG 3.83Å; F293-W303 HydrophobicContact CE2-CG 3.83Å; W303-F305 HydrophobicContact CD2-CB 4.18Å; W303-F305 AromaticContact CE2-CD2 3.71Å; W303-F305 HydrophobicContact CG-CB 4.16Å; W303-F305 HydrophobicContact CH2-CD2 4.19Å; W303-F305 HydrophobicContact CH2-CE2 4.31Å; W303-F305 AromaticContact CZ2-CD2 3.5Å; W303-F305 HydrophobicContact CZ2-CD2 3.5Å; W303-F305 VanDerWaalsContact CZ2-CD2 3.5Å; W303-F305 AromaticContact CZ2-CE2 3.92Å; W303-F305 HydrophobicContact CZ2-CE2 3.92Å; W303-F305 HydrophobicContact CZ2-CG 4.24Å; W303-F305 AromaticContact NE1-CD2 3.93Å; W303-F305 PolarHBondContact O-N 3.12Å; W303-V312 HydrophobicContact CH2-CB 4.33Å; W303-V312 HydrophobicContact CH2-CG1 3.57Å; W303-V312 HydrophobicContact CZ3-CB 3.89Å; W303-V312 HydrophobicContact CZ3-CG1 3.65Å; W303-K319 PolarHBondContact N-O 3.42Å; W303-I320 HydrophobicContact CB-CG1 4.36Å; W303-I320 HydrophobicContact CE3-CD1 3.87Å; W303-I320 HydrophobicContact CE3-CG1 4.28Å; W303-I320 HydrophobicContact CZ3-CD1 4.32Å; W303-I320 WeakPolarHBondContact O-CA 3.36Å; W303-E321 PolarHBondContact O-N 2.65Å; W303-E321 VanDerWaalsContact O-N 3.1Å |
| 304 | Q | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 110.3 | 167.7 | -169.2 | -166.7 | -22.1 | 0 | 0 | 109.7 | L270 S271 G273 W278 E321 S322 W323 V324 | L270-Q304 WeakPolarHBondContact O-CB 3.3Å; L270-Q304 PolarHBondContact O-N 3.34Å; S271-Q304 VanDerWaalsContact CB-OE1 3.29Å; S271-Q304 PolarHBondContact OG-OE1 2.86Å; G273-Q304 PolarHBondContact O-NE2 2.79Å; G273-Q304 VanDerWaalsContact O-NE2 3.16Å; W278-Q304 PolarHBondContact NE1-O 3.42Å; Q304-E321 CarbonylContact C-O 3.55Å; Q304-E321 VanDerWaalsContact CA-O 3.25Å; Q304-E321 WeakPolarHBondContact CA-O 3.37Å; Q304-S322 VanDerWaalsContact CG-O 3.3Å; Q304-S322 WeakPolarHBondContact CG-O 3.17Å; Q304-S322 PolarHBondContact NE2-O 2.88Å; Q304-W323 VanDerWaalsContact NE2-CZ3 3.3Å; Q304-V324 HydrophobicContact CB-CG1 4.26Å; Q304-V324 HydrophobicContact CB-CG2 4.13Å |
| 305 | F | 97.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | trans | -148.1 | 125.4 | -172.6 | 179.7 | -98.6 | 0 | 0 | 0 | 110.5 | W278 I286 W303 G307 D308 L309 V312 I320 E321 S322 | W278-F305 HydrophobicContact CB-CD2 3.55Å; W278-F305 HydrophobicContact CB-CE2 3.51Å; W278-F305 HydrophobicContact CB-CG 4.43Å; W278-F305 HydrophobicContact CB-CZ 4.38Å; W278-F305 AromaticContact CD1-CD2 3.83Å; W278-F305 AromaticContact CD2-CD2 3.52Å; W278-F305 HydrophobicContact CD2-CD2 3.52Å; W278-F305 AromaticContact CD2-CE2 3.87Å; W278-F305 HydrophobicContact CD2-CE2 3.87Å; W278-F305 AromaticContact CE3-CD2 3.96Å; W278-F305 HydrophobicContact CE3-CD2 3.96Å; W278-F305 AromaticContact CE3-CE2 3.9Å; W278-F305 HydrophobicContact CE3-CE2 3.9Å; W278-F305 AromaticContact CG-CD2 3.33Å; W278-F305 HydrophobicContact CG-CD2 3.33Å; W278-F305 AromaticContact CG-CE2 3.74Å; W278-F305 HydrophobicContact CG-CE2 3.74Å; W278-F305 HydrophobicContact CG-CG 4.27Å; I286-F305 HydrophobicContact CD1-CE2 4.29Å; I286-F305 HydrophobicContact CD1-CZ 4.46Å; I286-F305 HydrophobicContact CG1-CE2 4.35Å; I286-F305 HydrophobicContact CG2-CE2 4.18Å; I286-F305 HydrophobicContact CG2-CZ 4.28Å; W303-F305 HydrophobicContact CD2-CB 4.18Å; W303-F305 AromaticContact CE2-CD2 3.71Å; W303-F305 HydrophobicContact CG-CB 4.16Å; W303-F305 HydrophobicContact CH2-CD2 4.19Å; W303-F305 HydrophobicContact CH2-CE2 4.31Å; W303-F305 AromaticContact CZ2-CD2 3.5Å; W303-F305 HydrophobicContact CZ2-CD2 3.5Å; W303-F305 VanDerWaalsContact CZ2-CD2 3.5Å; W303-F305 AromaticContact CZ2-CE2 3.92Å; W303-F305 HydrophobicContact CZ2-CE2 3.92Å; W303-F305 HydrophobicContact CZ2-CG 4.24Å; W303-F305 AromaticContact NE1-CD2 3.93Å; W303-F305 PolarHBondContact O-N 3.12Å; F305-G307 VanDerWaalsContact CE1-CA 3.41Å; F305-G307 WeakPolarHBondContact CE1-O 3.42Å; F305-G307 VanDerWaalsContact CZ-CA 3.49Å; F305-D308 WeakPolarHBondContact CE1-O 3.27Å; F305-L309 HydrophobicContact CD1-CD2 3.93Å; F305-L309 HydrophobicContact CE1-CD2 4.24Å; F305-V312 HydrophobicContact CE1-CG1 3.92Å; F305-V312 HydrophobicContact CE1-CG2 4.38Å; F305-V312 HydrophobicContact CE2-CG1 4.18Å; F305-V312 HydrophobicContact CZ-CG1 3.72Å; F305-I320 HydrophobicContact CB-CG2 3.59Å; F305-I320 HydrophobicContact CD1-CG2 3.94Å; F305-I320 HydrophobicContact CG-CG2 4.13Å; F305-E321 PolarHBondContact N-O 3.46Å; F305-E321 CarbonylContact O-C 3.5Å; F305-S322 WeakPolarHBondContact O-CA 3.44Å | ||
| 306 | N | 95.1 | Very high | 97.2 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | trans | -111.6 | 11.3 | -178.6 | 69.7 | -35.2 | 0 | 0 | 0 | 113 | D277 W278 K279 | D277-N306 PolarHBondContact OD1-ND2 3.4Å; D277-N306 PolarHBondContact OD1-OD1 2.77Å; W278-N306 WeakPolarHBondContact CB-OD1 3.11Å; W278-N306 PolarHBondContact N-OD1 2.94Å; K279-N306 WeakPolarHBondContact CE-O 3.41Å | ||
| 307 | G | 95 | Very high | 97.2 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -87.2 | -166.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F305 L309 | F305-G307 VanDerWaalsContact CE1-CA 3.41Å; F305-G307 WeakPolarHBondContact CE1-O 3.42Å; F305-G307 VanDerWaalsContact CZ-CA 3.49Å; G307-L309 PolarHBondContact O-N 2.73Å |
| 308 | D | 95.5 | Very high | 97.2 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | trans | -70.7 | 120.1 | 177.5 | -179 | 8.7 | 0 | 0 | 0 | 111.5 | F305 S310 V311 | F305-D308 WeakPolarHBondContact CE1-O 3.27Å; D308-S310 PolarHBondContact O-N 3.35Å; D308-S310 WeakPolarHBondContact OD1-CB 3.37Å; D308-S310 PolarHBondContact OD1-N 3.09Å; D308-S310 PolarHBondContact OD1-OG 3.16Å; D308-S310 PolarHBondContact OD2-OG 2.87Å; D308-V311 HydrophobicContact CB-CG2 4.3Å; D308-V311 WeakPolarHBondContact O-CG2 3.31Å | ||
| 309 | L | 96.7 | Very high | 97.2 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 56% | 0.555 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.7 | 178.9 | -65.5 | 178.3 | 0 | 0 | 0 | 113 | F305 G307 V311 V312 I320 | F305-L309 HydrophobicContact CD1-CD2 3.93Å; F305-L309 HydrophobicContact CE1-CD2 4.24Å; G307-L309 PolarHBondContact O-N 2.73Å; L309-V311 PolarHBondContact O-N 3.03Å; L309-V312 HydrophobicContact CD2-CG2 4.14Å; L309-V312 WeakPolarHBondContact O-CG2 3.2Å; L309-V312 PolarHBondContact O-N 2.79Å; L309-I320 HydrophobicContact CD2-CB 4.25Å; L309-I320 HydrophobicContact CD2-CG2 3.64Å |
| 310 | S | 95.7 | Very high | 97.2 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -69.7 | -20.9 | 179.6 | 86.3 | 0 | 0 | 0 | 0 | 113.4 | D308 | D308-S310 PolarHBondContact O-N 3.35Å; D308-S310 WeakPolarHBondContact OD1-CB 3.37Å; D308-S310 PolarHBondContact OD1-N 3.09Å; D308-S310 PolarHBondContact OD1-OG 3.16Å; D308-S310 PolarHBondContact OD2-OG 2.87Å |
| 311 | V | 95.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -99.5 | 1.1 | -177.2 | -57.9 | 0 | 0 | 0 | 0 | 113.8 | I286 Q287 D308 L309 | I286-V311 HydrophobicContact CG2-CG2 4.08Å; Q287-V311 PolarHBondContact NE2-O 2.64Å; D308-V311 HydrophobicContact CB-CG2 4.3Å; D308-V311 WeakPolarHBondContact O-CG2 3.31Å; L309-V311 PolarHBondContact O-N 3.03Å |
| 312 | V | 97.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -116.1 | 165.1 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | I286 W303 F305 L309 I320 | I286-V312 HydrophobicContact CG2-CG1 3.59Å; W303-V312 HydrophobicContact CH2-CB 4.33Å; W303-V312 HydrophobicContact CH2-CG1 3.57Å; W303-V312 HydrophobicContact CZ3-CB 3.89Å; W303-V312 HydrophobicContact CZ3-CG1 3.65Å; F305-V312 HydrophobicContact CE1-CG1 3.92Å; F305-V312 HydrophobicContact CE1-CG2 4.38Å; F305-V312 HydrophobicContact CE2-CG1 4.18Å; F305-V312 HydrophobicContact CZ-CG1 3.72Å; L309-V312 HydrophobicContact CD2-CG2 4.14Å; L309-V312 WeakPolarHBondContact O-CG2 3.2Å; L309-V312 PolarHBondContact O-N 2.79Å; V312-I320 HydrophobicContact CB-CD1 4.02Å; V312-I320 HydrophobicContact CG2-CD1 3.49Å; V312-I320 VanDerWaalsContact CG2-CD1 3.49Å |
| 313 | T | 97.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | trans | -64.3 | 147.1 | -178.9 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | S290 E294 R315 V318 I320 | S290-T313 WeakPolarHBondContact OG-CB 3.09Å; S290-T313 PolarHBondContact OG-N 3.02Å; E294-T313 HydrophobicContact CG-CG2 4.12Å; E294-T313 WeakPolarHBondContact CG-OG1 3.24Å; E294-T313 WeakPolarHBondContact OE1-CB 3.16Å; E294-T313 PolarHBondContact OE1-OG1 3.33Å; T313-R315 WeakPolarHBondContact OG1-CG 3.43Å; T313-R315 PolarHBondContact OG1-N 3.14Å; T313-V318 HydrophobicContact CG2-CB 4.16Å; T313-V318 HydrophobicContact CG2-CG1 4.09Å; T313-V318 HydrophobicContact CG2-CG2 4.01Å; T313-I320 WeakPolarHBondContact O-CD1 3.32Å | ||
| 314 | N | 95.9 | Very high | 96.5 | Very high | 153 Ų | 153 | 58.6 Ų | 58.6 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | trans | -111.1 | 18.8 | 175.8 | 67.1 | -2.8 | 0 | 0 | 0 | 112.7 | ||||
| 315 | R | 97.7 | Very high | 96.3 | Very high | 123 Ų | 123 | 60.4 Ų | 60.4 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | trans | -64.7 | 136.7 | -178.5 | -62 | -74.2 | 179 | -177.6 | 1.6 | 110.8 | E294 T313 H317 V318 | E294-R315 HydrophobicContact CG-CG 4.15Å; E294-R315 IonicContact OE1-NE 3.61Å; T313-R315 WeakPolarHBondContact OG1-CG 3.43Å; T313-R315 PolarHBondContact OG1-N 3.14Å; R315-H317 VanDerWaalsContact CB-CE1 3.45Å; R315-H317 WeakPolarHBondContact CB-CE1 3.46Å; R315-H317 WeakPolarHBondContact CB-ND1 3.31Å; R315-H317 PolarHBondContact O-N 2.68Å; R315-H317 VanDerWaalsContact O-N 3.08Å; R315-V318 HydrophobicContact CB-CG2 4.27Å; R315-V318 PolarHBondContact O-N 3.45Å | ||
| 316 | S | 96.7 | Very high | 96.2 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 74% | 0.741 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.1 | -175.8 | 66 | 0 | 0 | 0 | 0 | 115.8 | R300 V318 | R300-S316 PolarHBondContact NH1-O 2.83Å; S316-V318 VanDerWaalsContact C-N 3.31Å |
| 317 | H | 98.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.069 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.8 | 174.3 | 71.5 | -71.4 | 0 | 0 | 0 | 113.5 | F258 F293 Y299 I301 R315 | F258-H317 VanDerWaalsContact CZ-O 3.29Å; F258-H317 WeakPolarHBondContact CZ-O 3.46Å; F293-H317 PolarHBondContact O-NE2 2.77Å; Y299-H317 PolarHBondContact O-CD2 2.75Å; I301-H317 PolarHBondContact N-O 2.99Å; R315-H317 VanDerWaalsContact CB-CE1 3.45Å; R315-H317 WeakPolarHBondContact CB-CE1 3.46Å; R315-H317 WeakPolarHBondContact CB-ND1 3.31Å; R315-H317 PolarHBondContact O-N 2.68Å; R315-H317 VanDerWaalsContact O-N 3.08Å |
| 318 | V | 98.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.085 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.7 | 177.9 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | F293 I301 T313 R315 S316 I320 | F293-V318 HydrophobicContact CB-CG2 4.23Å; F293-V318 HydrophobicContact CD2-CG1 4.41Å; I301-V318 HydrophobicContact CB-CB 4.45Å; I301-V318 HydrophobicContact CB-CG1 4.21Å; I301-V318 HydrophobicContact CB-CG2 4.21Å; I301-V318 HydrophobicContact CD1-CG2 4.26Å; I301-V318 HydrophobicContact CG2-CG1 4.16Å; I301-V318 CarbonylContact O-C 3.55Å; I301-V318 WeakPolarHBondContact O-CA 3.47Å; T313-V318 HydrophobicContact CG2-CB 4.16Å; T313-V318 HydrophobicContact CG2-CG1 4.09Å; T313-V318 HydrophobicContact CG2-CG2 4.01Å; R315-V318 HydrophobicContact CB-CG2 4.27Å; R315-V318 PolarHBondContact O-N 3.45Å; S316-V318 VanDerWaalsContact C-N 3.31Å; V318-I320 HydrophobicContact CG1-CD1 4.18Å; V318-I320 HydrophobicContact CG1-CG1 3.83Å |
| 319 | K | 97.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120 | 172.5 | -176.7 | 167.1 | 177.5 | 62.4 | 0 | 108.8 | E254 Y255 F258 I301 I302 W303 E321 | E254-K319 IonicContact OE2-NZ 2.68Å; Y255-K319 HydrophobicContact CD1-CD 4.14Å; Y255-K319 HydrophobicContact CE1-CD 3.89Å; F258-K319 HydrophobicContact CD1-CB 4.37Å; F258-K319 HydrophobicContact CD2-CB 4.34Å; F258-K319 HydrophobicContact CE1-CB 3.89Å; F258-K319 HydrophobicContact CE2-CB 3.86Å; F258-K319 HydrophobicContact CZ-CB 3.61Å; I301-K319 PolarHBondContact O-N 3.31Å; I302-K319 CarbonylContact C-O 3.52Å; I302-K319 WeakPolarHBondContact CA-O 3.23Å; W303-K319 PolarHBondContact N-O 3.42Å; K319-E321 WeakPolarHBondContact CE-OE1 3.5Å; K319-E321 HydrophobicContact CG-CG 4.12Å; K319-E321 IonicContact NZ-OE1 3.35Å; K319-E321 PolarHBondContact NZ-OE1 3.38Å |
| 320 | I | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.8 | -177 | -51.1 | -176.9 | 0 | 0 | 0 | 108.3 | W303 F305 L309 V312 T313 V318 | W303-I320 HydrophobicContact CB-CG1 4.36Å; W303-I320 HydrophobicContact CE3-CD1 3.87Å; W303-I320 HydrophobicContact CE3-CG1 4.28Å; W303-I320 HydrophobicContact CZ3-CD1 4.32Å; W303-I320 WeakPolarHBondContact O-CA 3.36Å; F305-I320 HydrophobicContact CB-CG2 3.59Å; F305-I320 HydrophobicContact CD1-CG2 3.94Å; F305-I320 HydrophobicContact CG-CG2 4.13Å; L309-I320 HydrophobicContact CD2-CB 4.25Å; L309-I320 HydrophobicContact CD2-CG2 3.64Å; V312-I320 HydrophobicContact CB-CD1 4.02Å; V312-I320 HydrophobicContact CG2-CD1 3.49Å; V312-I320 VanDerWaalsContact CG2-CD1 3.49Å; T313-I320 WeakPolarHBondContact O-CD1 3.32Å; V318-I320 HydrophobicContact CG1-CD1 4.18Å; V318-I320 HydrophobicContact CG1-CG1 3.83Å |
| 321 | E | 96.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 33% | 0.327 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.9 | -176.3 | -64.7 | -72.4 | 176.6 | 0 | 0 | 109.8 | W303 Q304 F305 K319 W323 V324 | W303-E321 PolarHBondContact O-N 2.65Å; W303-E321 VanDerWaalsContact O-N 3.1Å; Q304-E321 CarbonylContact C-O 3.55Å; Q304-E321 VanDerWaalsContact CA-O 3.25Å; Q304-E321 WeakPolarHBondContact CA-O 3.37Å; F305-E321 PolarHBondContact N-O 3.46Å; F305-E321 CarbonylContact O-C 3.5Å; K319-E321 WeakPolarHBondContact CE-OE1 3.5Å; K319-E321 HydrophobicContact CG-CG 4.12Å; K319-E321 IonicContact NZ-OE1 3.35Å; K319-E321 PolarHBondContact NZ-OE1 3.38Å; E321-W323 VanDerWaalsContact C-N 3.26Å; E321-W323 PolarHBondContact O-N 3.25Å; E321-V324 HydrophobicContact CB-CG1 4.06Å |
| 322 | S | 94.9 | Very high | 96.2 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 57% | 0.566 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -67 | -29.6 | 177.2 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | Q304 F305 | Q304-S322 VanDerWaalsContact CG-O 3.3Å; Q304-S322 WeakPolarHBondContact CG-O 3.17Å; Q304-S322 PolarHBondContact NE2-O 2.88Å; F305-S322 WeakPolarHBondContact O-CA 3.44Å |
| 323 | W | 94.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 49% | 0.489 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -142.9 | 143.9 | 176.7 | -166.9 | -101.6 | 0 | 0 | 0 | 111 | H274 Q304 E321 | H274-W323 AromaticContact CD2-CH2 3.86Å; H274-W323 AromaticContact CD2-CZ3 3.9Å; H274-W323 AromaticContact CE1-CH2 3.25Å; H274-W323 WeakPolarHBondContact CE1-CH2 3.34Å; H274-W323 AromaticContact CE1-CZ2 3.98Å; H274-W323 AromaticContact ND1-CH2 3.68Å; H274-W323 AromaticContact NE2-CH2 3.4Å; H274-W323 WeakPolarHBondContact NE2-CH2 3.31Å; H274-W323 AromaticContact NE2-CZ3 3.92Å; Q304-W323 VanDerWaalsContact NE2-CZ3 3.3Å; E321-W323 VanDerWaalsContact C-N 3.26Å; E321-W323 PolarHBondContact O-N 3.25Å |
| 324 | V | 94.8 | Very high | 96 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | trans | -131 | 149.4 | -176.4 | -59 | 0 | 0 | 0 | 0 | 110.9 | I302 Q304 E321 L326 I329 | I302-V324 HydrophobicContact CG2-CB 4.2Å; I302-V324 HydrophobicContact CG2-CG1 3.64Å; Q304-V324 HydrophobicContact CB-CG1 4.26Å; Q304-V324 HydrophobicContact CB-CG2 4.13Å; E321-V324 HydrophobicContact CB-CG1 4.06Å; V324-L326 HydrophobicContact CG2-CB 4.34Å; V324-L326 PolarHBondContact O-N 3.01Å; V324-I329 HydrophobicContact CB-CD1 3.97Å; V324-I329 HydrophobicContact CG2-CD1 4.27Å | ||
| 325 | P | 94.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | trans | -74.8 | 67.2 | 175 | 32.3 | -35.9 | 0 | 0 | 0 | 110.9 | L251 Y255 A327 A328 I329 | L251-P325 HydrophobicContact CD1-CG 4.23Å; Y255-P325 HydrophobicContact CD2-CG 3.82Å; Y255-P325 HydrophobicContact CE2-CG 3.81Å; Y255-P325 HydrophobicContact CG-CG 4.17Å; Y255-P325 VanDerWaalsContact CZ-CD 3.49Å; P325-A327 PolarHBondContact O-N 3.33Å; P325-A328 HydrophobicContact CB-CB 4.36Å; P325-A328 PolarHBondContact O-N 3.35Å; P325-A328 VanDerWaalsContact O-N 3.08Å; P325-I329 HydrophobicContact CG-CD1 4.08Å; P325-I329 HydrophobicContact CG-CG1 4.31Å; P325-I329 WeakPolarHBondContact O-CG1 3.19Å; P325-I329 PolarHBondContact O-N 2.94Å | ||
| 326 | L | 94.3 | Very high | 96.2 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.7 | -49.6 | -166.6 | -178.9 | 63.3 | 0 | 0 | 0 | 113.2 | V269 V324 A328 I329 L330 F338 E349 | V269-L326 HydrophobicContact CG1-CD1 4.4Å; V269-L326 HydrophobicContact CG2-CD1 3.98Å; V324-L326 HydrophobicContact CG2-CB 4.34Å; V324-L326 PolarHBondContact O-N 3.01Å; L326-A328 VanDerWaalsContact C-N 3.33Å; L326-A328 PolarHBondContact O-N 3.27Å; L326-I329 PolarHBondContact O-N 2.91Å; L326-I329 VanDerWaalsContact O-N 3.16Å; L326-L330 HydrophobicContact CD1-CD1 3.94Å; L326-L330 HydrophobicContact CD1-CD2 4.34Å; L326-L330 HydrophobicContact CD1-CG 3.9Å; L326-L330 HydrophobicContact CD2-CD1 4.43Å; L326-L330 HydrophobicContact CG-CD1 3.85Å; L326-L330 HydrophobicContact CG-CG 4.19Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.28Å; L326-F338 HydrophobicContact CD1-CD2 4.48Å; L326-F338 HydrophobicContact CD1-CE2 3.83Å; L326-F338 HydrophobicContact CD1-CZ 3.9Å; L326-F338 HydrophobicContact CD2-CE1 4.43Å; L326-F338 HydrophobicContact CD2-CE2 4.43Å; L326-F338 HydrophobicContact CD2-CZ 3.76Å; L326-F338 HydrophobicContact CG-CZ 4.36Å; L326-E349 WeakPolarHBondContact CD2-OE2 3.22Å |
| 327 | A | 93.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P246 P325 L330 Q331 F353 | P246-A327 HydrophobicContact CB-CB 3.81Å; P246-A327 HydrophobicContact CG-CB 4.12Å; P325-A327 PolarHBondContact O-N 3.33Å; A327-L330 PolarHBondContact O-N 3.44Å; A327-Q331 VanDerWaalsContact O-CB 3.24Å; A327-Q331 WeakPolarHBondContact O-CB 3.36Å; A327-Q331 PolarHBondContact O-N 2.97Å; A327-F353 HydrophobicContact CB-CE2 3.99Å; A327-F353 HydrophobicContact CB-CZ 4.24Å |
| 328 | A | 95.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A249 L251 P325 L326 H332 | A249-A328 HydrophobicContact CB-CB 4.19Å; A249-A328 VanDerWaalsContact O-CB 3.31Å; A249-A328 WeakPolarHBondContact O-CB 3.44Å; L251-A328 HydrophobicContact CB-CB 4.43Å; L251-A328 HydrophobicContact CD1-CB 3.87Å; P325-A328 HydrophobicContact CB-CB 4.36Å; P325-A328 PolarHBondContact O-N 3.35Å; P325-A328 VanDerWaalsContact O-N 3.08Å; L326-A328 VanDerWaalsContact C-N 3.33Å; L326-A328 PolarHBondContact O-N 3.27Å; A328-H332 PolarHBondContact O-N 3.49Å |
| 329 | I | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -51.3 | 174.8 | -65.1 | 161.5 | 0 | 0 | 0 | 110 | L251 Y255 T267 V269 I302 V324 P325 L326 Q331 H332 T335 | L251-I329 HydrophobicContact CD1-CG1 3.92Å; Y255-I329 HydrophobicContact CD1-CD1 4.49Å; T267-I329 HydrophobicContact CG2-CG2 4.38Å; V269-I329 HydrophobicContact CB-CG2 3.98Å; V269-I329 HydrophobicContact CG1-CG2 4.12Å; V269-I329 HydrophobicContact CG2-CG2 4.2Å; I302-I329 HydrophobicContact CD1-CD1 3.72Å; I302-I329 HydrophobicContact CD1-CG1 4Å; I302-I329 HydrophobicContact CD1-CG2 4.11Å; I302-I329 HydrophobicContact CG2-CD1 4.06Å; V324-I329 HydrophobicContact CB-CD1 3.97Å; V324-I329 HydrophobicContact CG2-CD1 4.27Å; P325-I329 HydrophobicContact CG-CD1 4.08Å; P325-I329 HydrophobicContact CG-CG1 4.31Å; P325-I329 WeakPolarHBondContact O-CG1 3.19Å; P325-I329 PolarHBondContact O-N 2.94Å; L326-I329 PolarHBondContact O-N 2.91Å; L326-I329 VanDerWaalsContact O-N 3.16Å; I329-Q331 VanDerWaalsContact C-N 3.29Å; I329-Q331 PolarHBondContact O-N 2.93Å; I329-H332 VanDerWaalsContact O-CB 3.28Å; I329-H332 WeakPolarHBondContact O-CB 3.44Å; I329-H332 PolarHBondContact O-N 3.18Å; I329-T335 HydrophobicContact CG2-CG2 4.48Å; I329-T335 WeakPolarHBondContact O-CB 3.45Å; I329-T335 PolarHBondContact O-OG1 3.43Å |
| 330 | L | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | -179.3 | -67.7 | 178.6 | 0 | 0 | 0 | 112.5 | V269 L326 A327 H332 T335 F338 E349 F353 T355 | V269-L330 HydrophobicContact CG1-CD2 3.67Å; L326-L330 HydrophobicContact CD1-CD1 3.94Å; L326-L330 HydrophobicContact CD1-CD2 4.34Å; L326-L330 HydrophobicContact CD1-CG 3.9Å; L326-L330 HydrophobicContact CD2-CD1 4.43Å; L326-L330 HydrophobicContact CG-CD1 3.85Å; L326-L330 HydrophobicContact CG-CG 4.19Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.28Å; A327-L330 PolarHBondContact O-N 3.44Å; L330-H332 PolarHBondContact O-N 3.16Å; L330-T335 HydrophobicContact CD2-CG2 4.29Å; L330-F338 HydrophobicContact CD1-CD1 3.83Å; L330-F338 HydrophobicContact CD1-CE1 3.77Å; L330-F338 HydrophobicContact CD1-CZ 4.41Å; L330-F338 HydrophobicContact CD2-CB 3.71Å; L330-F338 HydrophobicContact CD2-CD1 3.73Å; L330-F338 HydrophobicContact CD2-CD2 4.22Å; L330-F338 HydrophobicContact CD2-CE1 4.38Å; L330-F338 HydrophobicContact CD2-CG 3.64Å; L330-F338 HydrophobicContact CG-CD1 4.44Å; L330-E349 HydrophobicContact CD1-CB 3.86Å; L330-F353 HydrophobicContact CB-CB 3.99Å; L330-F353 HydrophobicContact CB-CD2 3.55Å; L330-F353 HydrophobicContact CB-CE2 4.38Å; L330-F353 HydrophobicContact CB-CG 4.05Å; L330-F353 HydrophobicContact CD1-CD2 4.25Å; L330-F353 WeakPolarHBondContact O-CB 3.45Å; L330-T355 HydrophobicContact CD2-CG2 3.97Å; L330-T355 PolarHBondContact O-OG1 2.97Å |
| 331 | Q | 94.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.9 | -24.2 | 175.2 | -179.5 | 166.3 | 55.7 | 0 | 0 | 113.1 | P248 A249 A327 I329 F353 | P248-Q331 VanDerWaalsContact CA-NE2 3.34Å; A249-Q331 PolarHBondContact O-OE1 3.37Å; A327-Q331 VanDerWaalsContact O-CB 3.24Å; A327-Q331 WeakPolarHBondContact O-CB 3.36Å; A327-Q331 PolarHBondContact O-N 2.97Å; I329-Q331 VanDerWaalsContact C-N 3.29Å; I329-Q331 PolarHBondContact O-N 2.93Å; Q331-F353 HydrophobicContact CB-CD1 3.75Å; Q331-F353 HydrophobicContact CB-CE1 3.83Å; Q331-F353 HydrophobicContact CB-CG 4.27Å; Q331-F353 HydrophobicContact CB-CZ 4.39Å; Q331-F353 HydrophobicContact CG-CD1 4.18Å; Q331-F353 HydrophobicContact CG-CE1 4.2Å |
| 332 | H | 96.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 31 Ų | 31 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -67.5 | 130.7 | -174.8 | -166.5 | -86.9 | 0 | 0 | 0 | 111.3 | L251 V259 E260 A328 I329 L330 K334 T335 | L251-H332 HydrophobicContact CD2-CB 4.48Å; V259-H332 HydrophobicContact CG1-CB 4.47Å; V259-H332 VanDerWaalsContact CG1-ND1 3.27Å; V259-H332 WeakPolarHBondContact CG1-ND1 3.31Å; E260-H332 IonicContact OE1-NE2 3.9Å; A328-H332 PolarHBondContact O-N 3.49Å; I329-H332 VanDerWaalsContact O-CB 3.28Å; I329-H332 WeakPolarHBondContact O-CB 3.44Å; I329-H332 PolarHBondContact O-N 3.18Å; L330-H332 PolarHBondContact O-N 3.16Å; H332-K334 PolarHBondContact ND1-N 2.91Å; H332-K334 PolarHBondContact O-N 3.24Å; H332-T335 WeakPolarHBondContact O-CB 3.4Å; H332-T335 PolarHBondContact O-N 3.48Å; H332-T335 PolarHBondContact O-OG1 3.42Å |
| 333 | P | 94.9 | Very high | 96 | Very high | 122 Ų | 122 | 27.6 Ų | 27.6 | 79% | 0.792 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.7 | -175.3 | -27.3 | 34.9 | 0 | 0 | 0 | 115.5 | T335 | P333-T335 VanDerWaalsContact C-N 3.29Å; P333-T335 PolarHBondContact O-N 3.36Å |
| 334 | K | 96.5 | Very high | 95.9 | Very high | 71 Ų | 71 | 22.1 Ų | 22.1 | 31% | 0.309 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.9 | 176.3 | -71.1 | -170.2 | 168.6 | -168.3 | 0 | 114.1 | V259 E260 D261 G266 T267 H332 A336 | V259-K334 HydrophobicContact CG1-CB 4.08Å; V259-K334 VanDerWaalsContact O-CD 3.23Å; V259-K334 WeakPolarHBondContact O-CD 3.28Å; E260-K334 VanDerWaalsContact C-NZ 3.28Å; E260-K334 PolarHBondContact O-NZ 2.94Å; D261-K334 PolarHBondContact O-NZ 3.31Å; D261-K334 VanDerWaalsContact O-NZ 3.11Å; G266-K334 CarbonylContact C-O 3.45Å; G266-K334 WeakPolarHBondContact CA-O 3.46Å; T267-K334 PolarHBondContact N-O 3.24Å; H332-K334 PolarHBondContact ND1-N 2.91Å; H332-K334 PolarHBondContact O-N 3.24Å; K334-A336 PolarHBondContact O-N 3.1Å |
| 335 | T | 98 | Very high | 95.8 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 115.7 | 179.8 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | V269 I329 L330 H332 P333 T355 | V269-T335 HydrophobicContact CG1-CG2 4.17Å; I329-T335 HydrophobicContact CG2-CG2 4.48Å; I329-T335 WeakPolarHBondContact O-CB 3.45Å; I329-T335 PolarHBondContact O-OG1 3.43Å; L330-T335 HydrophobicContact CD2-CG2 4.29Å; H332-T335 WeakPolarHBondContact O-CB 3.4Å; H332-T335 PolarHBondContact O-N 3.48Å; H332-T335 PolarHBondContact O-OG1 3.42Å; P333-T335 VanDerWaalsContact C-N 3.29Å; P333-T335 PolarHBondContact O-N 3.36Å; T335-T355 HydrophobicContact CG2-CG2 3.88Å |
| 336 | A | 98.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 20% | 0.198 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -39.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T267 I268 K334 P356 | T267-A336 PolarHBondContact O-N 2.71Å; I268-A336 HydrophobicContact CD1-CB 4.25Å; K334-A336 PolarHBondContact O-N 3.1Å; A336-P356 WeakPolarHBondContact O-CD 3.25Å |
| 337 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 137 | -175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | T267 I268 V269 I339 V358 V399 A400 | T267-V337 PolarHBondContact O-N 2.93Å; I268-V337 WeakPolarHBondContact CA-O 3.46Å; I268-V337 HydrophobicContact CD1-CB 3.59Å; I268-V337 HydrophobicContact CD1-CG2 3.62Å; I268-V337 HydrophobicContact CG2-CB 4.27Å; V269-V337 PolarHBondContact N-O 3.1Å; V337-I339 HydrophobicContact CG1-CG1 4.31Å; V337-V358 HydrophobicContact CG1-CB 4.31Å; V337-V358 HydrophobicContact CG1-CG2 3.58Å; V337-V399 HydrophobicContact CG1-CG1 4.2Å; V337-V399 HydrophobicContact CG2-CB 4.34Å; V337-V399 HydrophobicContact CG2-CG1 4.04Å; V337-A400 HydrophobicContact CG2-CB 3.66Å |
| 338 | F | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.9 | 168.4 | -176.7 | -163.9 | 0 | 0 | 0 | 110.3 | V269 L326 L330 T340 S346 A350 T355 P356 V357 V358 | V269-F338 HydrophobicContact CG1-CB 4.31Å; V269-F338 HydrophobicContact CG1-CD2 3.83Å; V269-F338 HydrophobicContact CG1-CG 4.31Å; L326-F338 HydrophobicContact CD1-CD2 4.48Å; L326-F338 HydrophobicContact CD1-CE2 3.83Å; L326-F338 HydrophobicContact CD1-CZ 3.9Å; L326-F338 HydrophobicContact CD2-CE1 4.43Å; L326-F338 HydrophobicContact CD2-CE2 4.43Å; L326-F338 HydrophobicContact CD2-CZ 3.76Å; L326-F338 HydrophobicContact CG-CZ 4.36Å; L330-F338 HydrophobicContact CD1-CD1 3.83Å; L330-F338 HydrophobicContact CD1-CE1 3.77Å; L330-F338 HydrophobicContact CD1-CZ 4.41Å; L330-F338 HydrophobicContact CD2-CB 3.71Å; L330-F338 HydrophobicContact CD2-CD1 3.73Å; L330-F338 HydrophobicContact CD2-CD2 4.22Å; L330-F338 HydrophobicContact CD2-CE1 4.38Å; L330-F338 HydrophobicContact CD2-CG 3.64Å; L330-F338 HydrophobicContact CG-CD1 4.44Å; F338-T340 HydrophobicContact CD1-CG2 4Å; F338-T340 HydrophobicContact CD2-CG2 4.4Å; F338-T340 HydrophobicContact CE1-CG2 3.93Å; F338-T340 HydrophobicContact CE2-CG2 4.33Å; F338-T340 HydrophobicContact CG-CG2 4.24Å; F338-T340 VanDerWaalsContact CZ-CB 3.47Å; F338-T340 HydrophobicContact CZ-CG2 4.09Å; F338-S346 WeakPolarHBondContact CE1-O 3.43Å; F338-A350 HydrophobicContact CD1-CB 3.9Å; F338-T355 HydrophobicContact CB-CG2 3.75Å; F338-P356 PolarHBondContact N-O 2.96Å; F338-V357 WeakPolarHBondContact O-CA 3.32Å; F338-V358 PolarHBondContact O-N 3.46Å |
| 339 | I | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.7 | 169.9 | -50.2 | 165.4 | 0 | 0 | 0 | 107.6 | I268 V269 L270 S271 F272 F293 V337 V358 V360 L392 I396 | I268-I339 HydrophobicContact CG2-CD1 3.6Å; I268-I339 HydrophobicContact CG2-CG1 4.04Å; V269-I339 PolarHBondContact O-N 3.3Å; L270-I339 WeakPolarHBondContact CA-O 3.33Å; L270-I339 HydrophobicContact CB-CB 4.05Å; L270-I339 HydrophobicContact CB-CD1 4.32Å; L270-I339 HydrophobicContact CD1-CB 4.3Å; L270-I339 HydrophobicContact CD1-CD1 4.36Å; L270-I339 HydrophobicContact CD1-CG2 3.91Å; L270-I339 HydrophobicContact CG-CB 3.88Å; L270-I339 HydrophobicContact CG-CG2 3.85Å; S271-I339 PolarHBondContact N-O 3.21Å; F272-I339 HydrophobicContact CE1-CG2 4.31Å; F293-I339 HydrophobicContact CE1-CD1 3.73Å; F293-I339 HydrophobicContact CZ-CD1 3.88Å; V337-I339 HydrophobicContact CG1-CG1 4.31Å; I339-V358 VanDerWaalsContact CA-O 3.3Å; I339-V358 WeakPolarHBondContact CA-O 3.32Å; I339-V358 HydrophobicContact CB-CB 4.44Å; I339-V358 HydrophobicContact CG1-CB 4.04Å; I339-V358 HydrophobicContact CG2-CB 4.38Å; I339-V358 HydrophobicContact CG2-CG1 4.33Å; I339-V360 HydrophobicContact CG2-CG2 4.16Å; I339-L392 HydrophobicContact CD1-CD1 4.42Å; I339-I396 HydrophobicContact CD1-CD1 3.61Å; I339-I396 HydrophobicContact CD1-CG1 3.95Å; I339-I396 HydrophobicContact CG1-CG1 4.37Å |
| 340 | T | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.1 | -175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | S271 F338 T342 S346 V357 V358 A359 V360 | S271-T340 WeakPolarHBondContact O-CA 3.19Å; S271-T340 PolarHBondContact O-OG1 3.28Å; F338-T340 HydrophobicContact CD1-CG2 4Å; F338-T340 HydrophobicContact CD2-CG2 4.4Å; F338-T340 HydrophobicContact CE1-CG2 3.93Å; F338-T340 HydrophobicContact CE2-CG2 4.33Å; F338-T340 HydrophobicContact CG-CG2 4.24Å; F338-T340 VanDerWaalsContact CZ-CB 3.47Å; F338-T340 HydrophobicContact CZ-CG2 4.09Å; T340-T342 HydrophobicContact CG2-CG2 3.7Å; T340-T342 PolarHBondContact O-N 2.71Å; T340-T342 PolarHBondContact OG1-N 2.82Å; T340-T342 VanDerWaalsContact OG1-N 3.12Å; T340-S346 WeakPolarHBondContact OG1-CB 3.33Å; T340-V357 HydrophobicContact CG2-CG1 3.79Å; T340-V358 PolarHBondContact N-O 3.46Å; T340-A359 CarbonylContact O-C 3.58Å; T340-A359 WeakPolarHBondContact O-CA 3.35Å; T340-V360 PolarHBondContact O-N 2.91Å |
| 341 | H | 95.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | trans | -70 | -5.6 | 168.3 | 72.2 | -99.6 | 0 | 0 | 0 | 112 | F272 G343 V360 P361 L362 Q366 | F272-H341 WeakPolarHBondContact CA-ND1 3.43Å; F272-H341 HydrophobicContact CB-CB 4.45Å; F272-H341 HydrophobicContact CD1-CB 4.01Å; F272-H341 VanDerWaalsContact CD1-N 3.25Å; F272-H341 HydrophobicContact CG-CB 4.28Å; F272-H341 PolarHBondContact O-CE1 2.57Å; F272-H341 PolarHBondContact O-ND1 3.08Å; H341-G343 PolarHBondContact CD2-N 3.01Å; H341-G343 WeakPolarHBondContact NE2-CA 3.48Å; H341-G343 PolarHBondContact NE2-N 2.89Å; H341-V360 VanDerWaalsContact CA-O 3.27Å; H341-V360 WeakPolarHBondContact CA-O 3.42Å; H341-P361 WeakPolarHBondContact O-CA 3.47Å; H341-L362 HydrophobicContact CB-CD1 4.1Å; H341-L362 HydrophobicContact CB-CG 3.87Å; H341-Q366 PolarHBondContact CD2-NE2 2.98Å; H341-Q366 PolarHBondContact CD2-OE1 2.86Å; H341-Q366 VanDerWaalsContact CD2-OE1 3.26Å; H341-Q366 VanDerWaalsContact O-CB 3.32Å; H341-Q366 WeakPolarHBondContact O-CB 3.49Å | ||
| 342 | T | 95.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 62.6 | 35.8 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | T340 V357 A359 Q366 Y369 S370 | T340-T342 HydrophobicContact CG2-CG2 3.7Å; T340-T342 PolarHBondContact O-N 2.71Å; T340-T342 PolarHBondContact OG1-N 2.82Å; T340-T342 VanDerWaalsContact OG1-N 3.12Å; T342-V357 HydrophobicContact CG2-CG1 3.74Å; T342-A359 HydrophobicContact CG2-CB 3.43Å; T342-A359 VanDerWaalsContact CG2-CB 3.43Å; T342-Q366 PolarHBondContact OG1-O 3.08Å; T342-Q366 VanDerWaalsContact OG1-O 3.08Å; T342-Y369 VanDerWaalsContact O-CB 3.22Å; T342-Y369 WeakPolarHBondContact O-CB 3.5Å; T342-Y369 WeakPolarHBondContact O-CD2 3.36Å; T342-S370 WeakPolarHBondContact OG1-CB 3.28Å; T342-S370 PolarHBondContact OG1-N 3.31Å | ||
| 343 | G | 92.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | trans | -60.7 | 151.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | H341 K345 S346 F347 | H341-G343 PolarHBondContact CD2-N 3.01Å; H341-G343 WeakPolarHBondContact NE2-CA 3.48Å; H341-G343 PolarHBondContact NE2-N 2.89Å; G343-K345 PolarHBondContact O-N 2.82Å; G343-S346 PolarHBondContact O-N 3.13Å; G343-F347 WeakPolarHBondContact O-CB 3.32Å; G343-F347 PolarHBondContact O-N 3.43Å | ||
| 344 | I | 91.6 | Very high | 96 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -50.7 | -40.9 | -167.6 | -171.3 | 167.3 | 0 | 0 | 0 | 113.8 | L224 Y243 L348 Y369 | L224-I344 HydrophobicContact CB-CD1 4.39Å; Y243-I344 HydrophobicContact CD2-CD1 4.4Å; Y243-I344 HydrophobicContact CD2-CG1 4.25Å; Y243-I344 HydrophobicContact CE2-CB 4.4Å; Y243-I344 HydrophobicContact CE2-CD1 3.87Å; Y243-I344 HydrophobicContact CE2-CG1 3.93Å; Y243-I344 HydrophobicContact CE2-CG2 3.63Å; I344-L348 HydrophobicContact CG1-CD1 4.08Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.5Å; I344-L348 PolarHBondContact O-N 2.92Å; I344-Y369 HydrophobicContact CB-CD2 4.45Å; I344-Y369 HydrophobicContact CB-CE2 3.68Å; I344-Y369 WeakPolarHBondContact CD1-OH 3.45Å; I344-Y369 HydrophobicContact CG1-CE1 4.46Å; I344-Y369 HydrophobicContact CG1-CE2 4.34Å |
| 345 | K | 91.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 11.7 Ų | 11.7 | 27% | 0.274 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -64.4 | -53.4 | 177.7 | -68.7 | 179 | -178.4 | 167.5 | 0 | 111.6 | S8 S12 Y243 G343 F347 L348 E349 | S8-K345 PolarHBondContact O-NZ 2.96Å; S12-K345 WeakPolarHBondContact OG-CE 3.15Å; S12-K345 PolarHBondContact OG-NZ 3.05Å; Y243-K345 HydrophobicContact CD1-CD 4.48Å; Y243-K345 HydrophobicContact CD1-CG 4.03Å; Y243-K345 HydrophobicContact CD2-CG 4.4Å; Y243-K345 HydrophobicContact CE1-CD 4.18Å; Y243-K345 HydrophobicContact CE1-CG 3.91Å; Y243-K345 HydrophobicContact CE2-CG 4.26Å; Y243-K345 HydrophobicContact CG-CG 4.26Å; G343-K345 PolarHBondContact O-N 2.82Å; K345-F347 VanDerWaalsContact C-N 3.3Å; K345-F347 PolarHBondContact O-N 2.86Å; K345-L348 PolarHBondContact O-N 2.89Å; K345-L348 VanDerWaalsContact O-N 3.16Å; K345-E349 VanDerWaalsContact O-CG 3.29Å; K345-E349 WeakPolarHBondContact O-CG 3.34Å; K345-E349 PolarHBondContact O-N 2.7Å |
| 346 | S | 94.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 11.5 Ų | 11.5 | 7% | 0.07 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.1 | -35.3 | 179.1 | -62 | 0 | 0 | 0 | 0 | 112.4 | F338 T340 G343 E349 A350 | F338-S346 WeakPolarHBondContact CE1-O 3.43Å; T340-S346 WeakPolarHBondContact OG1-CB 3.33Å; G343-S346 PolarHBondContact O-N 3.13Å; S346-E349 PolarHBondContact O-N 2.88Å; S346-A350 WeakPolarHBondContact O-CB 3.27Å; S346-A350 PolarHBondContact O-N 2.96Å |
| 347 | F | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 172.2 | 175.5 | -100 | 0 | 0 | 0 | 111.3 | L224 L228 G343 K345 A350 V351 Y369 L372 A373 F378 | L224-F347 HydrophobicContact CD1-CD1 4.2Å; L224-F347 HydrophobicContact CD1-CE1 3.86Å; L228-F347 HydrophobicContact CB-CE1 4.14Å; L228-F347 HydrophobicContact CB-CZ 4.48Å; L228-F347 HydrophobicContact CD1-CE1 3.82Å; L228-F347 HydrophobicContact CG-CE1 4.49Å; G343-F347 WeakPolarHBondContact O-CB 3.32Å; G343-F347 PolarHBondContact O-N 3.43Å; K345-F347 VanDerWaalsContact C-N 3.3Å; K345-F347 PolarHBondContact O-N 2.86Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 3.48Å; F347-V351 WeakPolarHBondContact O-CG2 3.28Å; F347-V351 PolarHBondContact O-N 3.02Å; F347-Y369 HydrophobicContact CD1-CD1 4.26Å; F347-Y369 HydrophobicContact CE1-CD1 4.46Å; F347-Y369 WeakPolarHBondContact CE2-O 3.31Å; F347-Y369 HydrophobicContact CG-CG 4.4Å; F347-L372 HydrophobicContact CE2-CB 4.36Å; F347-L372 HydrophobicContact CZ-CB 4.07Å; F347-A373 HydrophobicContact CE2-CB 4.04Å; F347-F378 HydrophobicContact CD2-CE2 4.42Å; F347-F378 AromaticContact CE2-CE2 3.73Å; F347-F378 HydrophobicContact CE2-CE2 3.73Å; F347-F378 AromaticContact CE2-CZ 3.54Å; F347-F378 HydrophobicContact CE2-CZ 3.54Å; F347-F378 HydrophobicContact CZ-CE2 4.34Å; F347-F378 AromaticContact CZ-CZ 3.7Å; F347-F378 HydrophobicContact CZ-CZ 3.7Å |
| 348 | L | 94.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 176.9 | -71.8 | 171.5 | 0 | 0 | 0 | 112.6 | P225 L228 Y243 I344 K345 A350 V351 C352 | P225-L348 HydrophobicContact CG-CD2 3.92Å; L228-L348 HydrophobicContact CD1-CD2 3.55Å; Y243-L348 HydrophobicContact CD2-CD1 3.48Å; Y243-L348 VanDerWaalsContact CD2-CD1 3.48Å; Y243-L348 HydrophobicContact CG-CD1 4.09Å; I344-L348 HydrophobicContact CG1-CD1 4.08Å; I344-L348 WeakPolarHBondContact O-CB 3.37Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.5Å; I344-L348 PolarHBondContact O-N 2.92Å; K345-L348 PolarHBondContact O-N 2.89Å; K345-L348 VanDerWaalsContact O-N 3.16Å; L348-A350 VanDerWaalsContact C-N 3.3Å; L348-A350 PolarHBondContact O-N 2.83Å; L348-V351 CarbonylContact O-C 3.6Å; L348-V351 PolarHBondContact O-N 2.9Å; L348-V351 VanDerWaalsContact O-N 3.15Å; L348-C352 VanDerWaalsContact O-CB 3.28Å; L348-C352 WeakPolarHBondContact O-CB 3.43Å; L348-C352 PolarHBondContact O-N 2.66Å; L348-C352 PolarHBondContact O-SG 3.47Å |
| 349 | E | 94.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 10.4 Ų | 10.4 | 18% | 0.178 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 174.7 | -72.1 | 173.8 | 148.8 | 0 | 0 | 111.5 | P246 L326 L330 K345 S346 V351 C352 F353 | P246-E349 HydrophobicContact CG-CG 3.78Å; L326-E349 WeakPolarHBondContact CD2-OE2 3.22Å; L330-E349 HydrophobicContact CD1-CB 3.86Å; K345-E349 VanDerWaalsContact O-CG 3.29Å; K345-E349 WeakPolarHBondContact O-CG 3.34Å; K345-E349 PolarHBondContact O-N 2.7Å; S346-E349 PolarHBondContact O-N 2.88Å; E349-V351 VanDerWaalsContact C-N 3.33Å; E349-V351 PolarHBondContact O-N 3.34Å; E349-C352 PolarHBondContact O-N 3.02Å; E349-F353 HydrophobicContact CB-CD2 4.43Å; E349-F353 WeakPolarHBondContact O-CD2 3.1Å; E349-F353 PolarHBondContact O-N 2.9Å |
| 350 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F338 S346 F347 L348 A354 T355 V357 I409 | F338-A350 HydrophobicContact CD1-CB 3.9Å; S346-A350 WeakPolarHBondContact O-CB 3.27Å; S346-A350 PolarHBondContact O-N 2.96Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 3.48Å; L348-A350 VanDerWaalsContact C-N 3.3Å; L348-A350 PolarHBondContact O-N 2.83Å; A350-A354 CarbonylContact O-C 3.35Å; A350-A354 WeakPolarHBondContact O-CA 3.43Å; A350-A354 PolarHBondContact O-N 2.93Å; A350-T355 PolarHBondContact O-N 2.76Å; A350-V357 HydrophobicContact CB-CG2 3.48Å; A350-V357 VanDerWaalsContact CB-CG2 3.48Å; A350-I409 HydrophobicContact CB-CD1 4.33Å; A350-I409 VanDerWaalsContact O-CD1 3.26Å; A350-I409 WeakPolarHBondContact O-CD1 3.28Å |
| 351 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.1 | -46.7 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L228 F347 L348 E349 F353 A354 F378 I409 F412 S413 I416 | L228-V351 HydrophobicContact CD1-CB 4.43Å; L228-V351 HydrophobicContact CD1-CG1 4.28Å; L228-V351 HydrophobicContact CD1-CG2 4.16Å; L228-V351 HydrophobicContact CD2-CG1 4.05Å; L228-V351 HydrophobicContact CD2-CG2 4.18Å; F347-V351 WeakPolarHBondContact O-CG2 3.28Å; F347-V351 PolarHBondContact O-N 3.02Å; L348-V351 CarbonylContact O-C 3.6Å; L348-V351 PolarHBondContact O-N 2.9Å; L348-V351 VanDerWaalsContact O-N 3.15Å; E349-V351 VanDerWaalsContact C-N 3.33Å; E349-V351 PolarHBondContact O-N 3.34Å; V351-F353 VanDerWaalsContact C-N 3.3Å; V351-F353 PolarHBondContact O-N 3.27Å; V351-A354 PolarHBondContact O-N 3.45Å; V351-F378 HydrophobicContact CG2-CE1 4.5Å; V351-F378 HydrophobicContact CG2-CE2 4.19Å; V351-F378 HydrophobicContact CG2-CZ 3.89Å; V351-I409 HydrophobicContact CG2-CD1 4.47Å; V351-I409 HydrophobicContact CG2-CG1 4.4Å; V351-F412 HydrophobicContact CG1-CB 3.96Å; V351-S413 WeakPolarHBondContact O-CA 3.42Å; V351-S413 WeakPolarHBondContact O-CB 3.42Å; V351-S413 PolarHBondContact O-OG 3.36Å; V351-S413 VanDerWaalsContact O-OG 3.09Å; V351-I416 HydrophobicContact CB-CD1 4.15Å; V351-I416 HydrophobicContact CG1-CD1 3.54Å; V351-I416 HydrophobicContact CG1-CG1 4.01Å; V351-I416 HydrophobicContact CG1-CG2 4.42Å |
| 352 | C | 94.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 10.2 Ų | 10.2 | 13% | 0.128 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54.5 | -45.3 | 178.4 | -75.4 | 0 | 0 | 0 | 0 | 111.9 | C245 L348 E349 A354 S413 | C245-C352 WeakPolarHBondContact CA-SG 3.04Å; C245-C352 HydrophobicContact CB-CB 3.6Å; C245-C352 WeakPolarHBondContact CB-SG 3.35Å; C245-C352 WeakPolarHBondContact SG-CB 3.47Å; C245-C352 CovalentContact SG-SG 2.03Å; C245-C352 PolarHBondContact SG-SG 3.2Å; L348-C352 VanDerWaalsContact O-CB 3.28Å; L348-C352 WeakPolarHBondContact O-CB 3.43Å; L348-C352 PolarHBondContact O-N 2.66Å; L348-C352 PolarHBondContact O-SG 3.47Å; E349-C352 PolarHBondContact O-N 3.02Å; C352-A354 VanDerWaalsContact C-N 3.34Å; C352-S413 PolarHBondContact O-OG 3.25Å; C352-S413 VanDerWaalsContact O-OG 3.11Å |
| 353 | F | 96 | Very high | 95.3 | Very high | 29 Ų | 29 | 12.6 Ų | 12.6 | 13% | 0.127 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10.7 | 178.9 | -57.7 | -55.3 | 0 | 0 | 0 | 113.8 | P246 A327 L330 Q331 E349 V351 T355 | P246-F353 HydrophobicContact CB-CE2 4.29Å; P246-F353 HydrophobicContact CB-CZ 3.94Å; P246-F353 HydrophobicContact CG-CE2 3.96Å; P246-F353 HydrophobicContact CG-CZ 4.06Å; A327-F353 HydrophobicContact CB-CE2 3.99Å; A327-F353 HydrophobicContact CB-CZ 4.24Å; L330-F353 HydrophobicContact CB-CB 3.99Å; L330-F353 HydrophobicContact CB-CD2 3.55Å; L330-F353 HydrophobicContact CB-CE2 4.38Å; L330-F353 HydrophobicContact CB-CG 4.05Å; L330-F353 HydrophobicContact CD1-CD2 4.25Å; L330-F353 WeakPolarHBondContact O-CB 3.45Å; Q331-F353 HydrophobicContact CB-CD1 3.75Å; Q331-F353 HydrophobicContact CB-CE1 3.83Å; Q331-F353 HydrophobicContact CB-CG 4.27Å; Q331-F353 HydrophobicContact CB-CZ 4.39Å; Q331-F353 HydrophobicContact CG-CD1 4.18Å; Q331-F353 HydrophobicContact CG-CE1 4.2Å; E349-F353 HydrophobicContact CB-CD2 4.43Å; E349-F353 WeakPolarHBondContact O-CD2 3.1Å; E349-F353 PolarHBondContact O-N 2.9Å; V351-F353 VanDerWaalsContact C-N 3.3Å; V351-F353 PolarHBondContact O-N 3.27Å; F353-T355 PolarHBondContact O-N 2.9Å; F353-T355 VanDerWaalsContact O-N 3.17Å; F353-T355 PolarHBondContact O-OG1 3.35Å |
| 354 | A | 97.7 | Very high | 95 | Very high | 9 Ų | 9 | 15.2 Ų | 15.2 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A350 V351 C352 K406 I409 | A350-A354 CarbonylContact O-C 3.35Å; A350-A354 WeakPolarHBondContact O-CA 3.43Å; A350-A354 PolarHBondContact O-N 2.93Å; V351-A354 PolarHBondContact O-N 3.45Å; C352-A354 VanDerWaalsContact C-N 3.34Å; A354-K406 VanDerWaalsContact O-CD 3.29Å; A354-K406 WeakPolarHBondContact O-CD 3.38Å; A354-K406 WeakPolarHBondContact O-CE 3.38Å; A354-K406 PolarHBondContact O-NZ 3.42Å; A354-I409 HydrophobicContact CB-CG2 4.07Å; A354-I409 WeakPolarHBondContact O-CG2 3.22Å |
| 355 | T | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | trans | -100.7 | 114.4 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | L330 T335 F338 A350 F353 I409 | L330-T355 HydrophobicContact CD2-CG2 3.97Å; L330-T355 PolarHBondContact O-OG1 2.97Å; T335-T355 HydrophobicContact CG2-CG2 3.88Å; F338-T355 HydrophobicContact CB-CG2 3.75Å; A350-T355 PolarHBondContact O-N 2.76Å; F353-T355 PolarHBondContact O-N 2.9Å; F353-T355 VanDerWaalsContact O-N 3.17Å; F353-T355 PolarHBondContact O-OG1 3.35Å; T355-I409 WeakPolarHBondContact O-CD1 3.42Å | ||
| 356 | P | 98.8 | Very high | 95 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.013 | 9% | 0.087 | C | C | . | . | trans | -51 | 147.8 | 176.8 | -31.2 | 38.5 | 0 | 0 | 0 | 114.2 | A336 F338 F378 V399 K406 I409 | A336-P356 WeakPolarHBondContact O-CD 3.25Å; F338-P356 PolarHBondContact N-O 2.96Å; P356-F378 WeakPolarHBondContact CA-O 3.43Å; P356-V399 HydrophobicContact CB-CG1 3.39Å; P356-K406 HydrophobicContact CG-CB 3.98Å; P356-K406 HydrophobicContact CG-CD 4.12Å; P356-I409 HydrophobicContact CG-CG2 4.27Å | ||
| 357 | V | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134 | -167.6 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | F338 T340 T342 A350 A359 F378 G379 V380 | F338-V357 WeakPolarHBondContact O-CA 3.32Å; T340-V357 HydrophobicContact CG2-CG1 3.79Å; T342-V357 HydrophobicContact CG2-CG1 3.74Å; A350-V357 HydrophobicContact CB-CG2 3.48Å; A350-V357 VanDerWaalsContact CB-CG2 3.48Å; V357-A359 HydrophobicContact CG1-CB 3.97Å; V357-F378 PolarHBondContact N-O 3.37Å; V357-G379 CarbonylContact O-C 3.52Å; V357-G379 WeakPolarHBondContact O-CA 2.98Å; V357-V380 PolarHBondContact O-N 2.97Å |
| 358 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 107.5 | 156.9 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | V337 F338 I339 T340 L382 L392 T395 I396 V399 | V337-V358 HydrophobicContact CG1-CB 4.31Å; V337-V358 HydrophobicContact CG1-CG2 3.58Å; F338-V358 PolarHBondContact O-N 3.46Å; I339-V358 VanDerWaalsContact CA-O 3.3Å; I339-V358 WeakPolarHBondContact CA-O 3.32Å; I339-V358 HydrophobicContact CB-CB 4.44Å; I339-V358 HydrophobicContact CG1-CB 4.04Å; I339-V358 HydrophobicContact CG2-CB 4.38Å; I339-V358 HydrophobicContact CG2-CG1 4.33Å; T340-V358 PolarHBondContact N-O 3.46Å; V358-L382 HydrophobicContact CG1-CD1 3.78Å; V358-L382 HydrophobicContact CG1-CG 4.36Å; V358-L392 HydrophobicContact CG1-CD1 4.25Å; V358-T395 HydrophobicContact CG1-CG2 3.91Å; V358-T395 HydrophobicContact CG2-CG2 3.96Å; V358-I396 HydrophobicContact CG2-CG1 4.41Å; V358-V399 HydrophobicContact CG2-CB 4.15Å; V358-V399 HydrophobicContact CG2-CG1 4.45Å; V358-V399 HydrophobicContact CG2-CG2 3.96Å |
| 359 | A | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T340 T342 V357 P361 V380 R381 L382 | T340-A359 CarbonylContact O-C 3.58Å; T340-A359 WeakPolarHBondContact O-CA 3.35Å; T342-A359 HydrophobicContact CG2-CB 3.43Å; T342-A359 VanDerWaalsContact CG2-CB 3.43Å; V357-A359 HydrophobicContact CG1-CB 3.97Å; A359-P361 WeakPolarHBondContact O-CD 3.09Å; A359-V380 PolarHBondContact N-O 3.34Å; A359-R381 CarbonylContact O-C 3.48Å; A359-R381 WeakPolarHBondContact O-CA 3.48Å; A359-L382 PolarHBondContact O-N 3.1Å |
| 360 | V | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | trans | -123.1 | 72.8 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | F272 I339 T340 H341 L362 L382 K384 L387 | F272-V360 HydrophobicContact CE1-CB 4.11Å; F272-V360 HydrophobicContact CZ-CB 3.8Å; F272-V360 HydrophobicContact CZ-CG1 4.15Å; F272-V360 HydrophobicContact CZ-CG2 4.24Å; I339-V360 HydrophobicContact CG2-CG2 4.16Å; T340-V360 PolarHBondContact O-N 2.91Å; H341-V360 VanDerWaalsContact CA-O 3.27Å; H341-V360 WeakPolarHBondContact CA-O 3.42Å; V360-L362 PolarHBondContact O-N 3.38Å; V360-L382 HydrophobicContact CG2-CB 4.31Å; V360-K384 HydrophobicContact CG1-CB 3.93Å; V360-L387 HydrophobicContact CG1-CD2 4.45Å | ||
| 361 | P | 94.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 6% | 0.058 | 8% | 0.081 | C | C | . | . | trans | -63.6 | 135.3 | -172.8 | 28.6 | -37 | 0 | 0 | 0 | 111.8 | H341 A359 Q366 P367 R381 | H341-P361 WeakPolarHBondContact O-CA 3.47Å; A359-P361 WeakPolarHBondContact O-CD 3.09Å; P361-Q366 HydrophobicContact CB-CB 3.99Å; P361-P367 HydrophobicContact CB-CB 4.2Å; P361-P367 HydrophobicContact CB-CG 4.02Å; P361-P367 HydrophobicContact CG-CB 4.45Å; P361-R381 HydrophobicContact CG-CG 4.2Å | ||
| 362 | L | 91.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | trans | -100.3 | -50.6 | -177.8 | -57.1 | 178.9 | 0 | 0 | 0 | 112 | V66 W67 F272 A276 H341 V360 Q366 K384 | V66-L362 HydrophobicContact CG1-CB 3.81Å; V66-L362 HydrophobicContact CG1-CD1 4.43Å; W67-L362 HydrophobicContact CD2-CD2 4.44Å; W67-L362 HydrophobicContact CE3-CD2 3.85Å; W67-L362 HydrophobicContact CH2-CD1 4.31Å; W67-L362 HydrophobicContact CH2-CD2 4.38Å; W67-L362 HydrophobicContact CZ2-CD1 4.33Å; W67-L362 HydrophobicContact CZ3-CD2 3.82Å; F272-L362 HydrophobicContact CB-CD1 4.44Å; F272-L362 HydrophobicContact CD2-CD1 4.07Å; F272-L362 HydrophobicContact CG-CD1 4.41Å; A276-L362 HydrophobicContact CB-CD1 3.52Å; H341-L362 HydrophobicContact CB-CD1 4.1Å; H341-L362 HydrophobicContact CB-CG 3.87Å; V360-L362 PolarHBondContact O-N 3.38Å; L362-Q366 VanDerWaalsContact CB-OE1 3.3Å; L362-K384 HydrophobicContact CD2-CB 4.32Å; L362-K384 HydrophobicContact CD2-CD 3.79Å; L362-K384 PolarHBondContact O-NZ 2.89Å | ||
| 363 | F | 88.5 | Confident | 94.6 | Very high | 50 Ų | 50 | 11.6 Ų | 11.6 | 22% | 0.219 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -163.2 | 176.5 | -177.3 | 65.9 | -79.8 | 0 | 0 | 0 | 112.8 | F62 V66 F275 D365 Q366 | F62-F363 HydrophobicContact CE1-CD2 4.37Å; F62-F363 HydrophobicContact CE1-CE2 4.12Å; F62-F363 HydrophobicContact CE1-CZ 4.38Å; F62-F363 AromaticContact CZ-CD2 3.77Å; F62-F363 HydrophobicContact CZ-CD2 3.77Å; F62-F363 AromaticContact CZ-CE2 3.83Å; F62-F363 HydrophobicContact CZ-CE2 3.83Å; F62-F363 HydrophobicContact CZ-CG 4.43Å; V66-F363 HydrophobicContact CB-CD1 4.2Å; V66-F363 HydrophobicContact CG1-CD1 3.47Å; V66-F363 VanDerWaalsContact CG1-CD1 3.47Å; V66-F363 HydrophobicContact CG1-CE1 3.94Å; V66-F363 HydrophobicContact CG1-CG 4.32Å; V66-F363 HydrophobicContact CG2-CB 4.1Å; V66-F363 HydrophobicContact CG2-CD1 3.68Å; V66-F363 HydrophobicContact CG2-CD2 4.46Å; V66-F363 HydrophobicContact CG2-CE1 4.14Å; V66-F363 HydrophobicContact CG2-CG 3.85Å; F275-F363 HydrophobicContact CB-CE1 4.33Å; F275-F363 HydrophobicContact CB-CZ 4.04Å; F275-F363 HydrophobicContact CG-CZ 4.47Å; F363-D365 PolarHBondContact O-N 3.12Å; F363-Q366 VanDerWaalsContact CE1-NE2 3.3Å; F363-Q366 VanDerWaalsContact N-OE1 3.08Å; F363-Q366 WeakPolarHBondContact O-CB 3.11Å; F363-Q366 WeakPolarHBondContact O-CG 3.49Å; F363-Q366 PolarHBondContact O-N 3.5Å; F363-Q366 PolarHBondContact O-NE2 3.18Å |
| 364 | G | 87 | Confident | 94.6 | Very high | 64 Ų | 64 | 12 Ų | 12 | 66% | 0.66 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -128.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P367 | G364-P367 VanDerWaalsContact O-CD 3.23Å; G364-P367 WeakPolarHBondContact O-CD 3.39Å |
| 365 | D | 88 | Confident | 94.4 | Very high | 35 Ų | 35 | 14 Ų | 14 | 19% | 0.187 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.2 | -178.4 | 57 | 1.6 | 0 | 0 | 0 | 114 | T140 F363 P367 R368 Y369 | T140-D365 VanDerWaalsContact CB-OD2 3.3Å; T140-D365 WeakPolarHBondContact CB-OD2 3.43Å; T140-D365 PolarHBondContact OG1-OD2 2.91Å; F363-D365 PolarHBondContact O-N 3.12Å; D365-P367 VanDerWaalsContact C-CD 3.46Å; D365-R368 WeakPolarHBondContact O-CA 3.25Å; D365-R368 VanDerWaalsContact O-CB 3.22Å; D365-R368 WeakPolarHBondContact O-CB 3.28Å; D365-R368 PolarHBondContact O-N 3.28Å; D365-Y369 HydrophobicContact CB-CD2 4.38Å; D365-Y369 HydrophobicContact CB-CE2 3.66Å; D365-Y369 WeakPolarHBondContact O-CD2 3.35Å; D365-Y369 PolarHBondContact O-N 3.35Å; D365-Y369 WeakPolarHBondContact OD2-CE2 3.42Å |
| 366 | Q | 93.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.4 | -43.2 | -177.5 | -56.6 | 171.3 | 18.7 | 0 | 0 | 113.9 | H341 T342 P361 L362 F363 R368 Y369 S370 | H341-Q366 PolarHBondContact CD2-NE2 2.98Å; H341-Q366 PolarHBondContact CD2-OE1 2.86Å; H341-Q366 VanDerWaalsContact CD2-OE1 3.26Å; H341-Q366 VanDerWaalsContact O-CB 3.32Å; H341-Q366 WeakPolarHBondContact O-CB 3.49Å; T342-Q366 PolarHBondContact OG1-O 3.08Å; T342-Q366 VanDerWaalsContact OG1-O 3.08Å; P361-Q366 HydrophobicContact CB-CB 3.99Å; L362-Q366 VanDerWaalsContact CB-OE1 3.3Å; F363-Q366 VanDerWaalsContact CE1-NE2 3.3Å; F363-Q366 VanDerWaalsContact N-OE1 3.08Å; F363-Q366 WeakPolarHBondContact O-CB 3.11Å; F363-Q366 WeakPolarHBondContact O-CG 3.49Å; F363-Q366 PolarHBondContact O-N 3.5Å; F363-Q366 PolarHBondContact O-NE2 3.18Å; Q366-R368 PolarHBondContact O-N 3.49Å; Q366-Y369 PolarHBondContact O-N 2.99Å; Q366-S370 PolarHBondContact O-N 2.99Å |
| 367 | P | 92.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 11% | 0.11 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -31.8 | 176.8 | -18.2 | 31.9 | 0 | 0 | 0 | 112.5 | A162 P361 G364 D365 S370 M371 R381 | A162-P367 HydrophobicContact CB-CB 4.11Å; A162-P367 WeakPolarHBondContact O-CB 3.27Å; P361-P367 HydrophobicContact CB-CB 4.2Å; P361-P367 HydrophobicContact CB-CG 4.02Å; P361-P367 HydrophobicContact CG-CB 4.45Å; G364-P367 VanDerWaalsContact O-CD 3.23Å; G364-P367 WeakPolarHBondContact O-CD 3.39Å; D365-P367 VanDerWaalsContact C-CD 3.46Å; P367-S370 WeakPolarHBondContact CA-OG 3.14Å; P367-S370 PolarHBondContact O-N 3.16Å; P367-S370 PolarHBondContact O-OG 3.04Å; P367-M371 PolarHBondContact O-N 3.09Å; P367-R381 PolarHBondContact O-NH1 3.22Å |
| 368 | R | 92.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 3% | 0.034 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 174.2 | -170.7 | -174.5 | 175.8 | 80.9 | 4.4 | 110.8 | H141 D159 I160 A162 D229 D365 Q366 M371 L372 | H141-R368 VanDerWaalsContact CD2-CD 3.46Å; H141-R368 WeakPolarHBondContact CD2-CD 3.45Å; H141-R368 PolarHBondContact CD2-NE 3.48Å; H141-R368 WeakPolarHBondContact NE2-CD 3.5Å; D159-R368 IonicContact OD1-CZ 3.54Å; D159-R368 IonicContact OD1-NH1 2.73Å; D159-R368 PolarHBondContact OD1-NH1 3.41Å; D159-R368 VanDerWaalsContact OD1-NH1 3.13Å; D159-R368 IonicContact OD1-NH2 3.97Å; D159-R368 PolarHBondContact OD1-NH2 2.9Å; I160-R368 HydrophobicContact CD1-CG 3.36Å; I160-R368 HydrophobicContact CG1-CG 4.21Å; I160-R368 VanDerWaalsContact CG1-NH1 3.26Å; A162-R368 HydrophobicContact CB-CB 4.41Å; D229-R368 IonicContact OD1-CZ 3.73Å; D229-R368 IonicContact OD1-NE 3.12Å; D229-R368 IonicContact OD1-NH2 2.82Å; D229-R368 PolarHBondContact OD1-NH2 3.08Å; D229-R368 IonicContact OD2-NH2 2.71Å; D365-R368 WeakPolarHBondContact O-CA 3.25Å; D365-R368 VanDerWaalsContact O-CB 3.22Å; D365-R368 WeakPolarHBondContact O-CB 3.28Å; D365-R368 PolarHBondContact O-N 3.28Å; Q366-R368 PolarHBondContact O-N 3.49Å; R368-M371 WeakPolarHBondContact O-CB 3.32Å; R368-M371 PolarHBondContact O-N 3.27Å; R368-L372 WeakPolarHBondContact O-CG 3.47Å; R368-L372 PolarHBondContact O-N 2.95Å |
| 369 | Y | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | 179.4 | -57.9 | -52.2 | 0 | 0 | 0 | 113.1 | T140 H141 L224 T342 I344 F347 D365 Q366 M371 L372 A373 | T140-Y369 PolarHBondContact OG1-OH 3.08Å; H141-Y369 HydrophobicContact CB-CE1 4.35Å; H141-Y369 WeakPolarHBondContact CB-OH 3.41Å; H141-Y369 PolarHBondContact N-OH 3.15Å; H141-Y369 VanDerWaalsContact N-OH 3.08Å; H141-Y369 AromaticContact ND1-CZ 3.7Å; H141-Y369 PolarHBondContact ND1-OH 3.2Å; L224-Y369 HydrophobicContact CD1-CD1 4.33Å; L224-Y369 HydrophobicContact CD1-CE1 3.96Å; L224-Y369 HydrophobicContact CD2-CE1 4.09Å; T342-Y369 VanDerWaalsContact O-CB 3.22Å; T342-Y369 WeakPolarHBondContact O-CB 3.5Å; T342-Y369 WeakPolarHBondContact O-CD2 3.36Å; I344-Y369 HydrophobicContact CB-CD2 4.45Å; I344-Y369 HydrophobicContact CB-CE2 3.68Å; I344-Y369 WeakPolarHBondContact CD1-OH 3.45Å; I344-Y369 HydrophobicContact CG1-CE1 4.46Å; I344-Y369 HydrophobicContact CG1-CE2 4.34Å; F347-Y369 HydrophobicContact CD1-CD1 4.26Å; F347-Y369 HydrophobicContact CE1-CD1 4.46Å; F347-Y369 WeakPolarHBondContact CE2-O 3.31Å; F347-Y369 HydrophobicContact CG-CG 4.4Å; D365-Y369 HydrophobicContact CB-CD2 4.38Å; D365-Y369 HydrophobicContact CB-CE2 3.66Å; D365-Y369 WeakPolarHBondContact O-CD2 3.35Å; D365-Y369 PolarHBondContact O-N 3.35Å; D365-Y369 WeakPolarHBondContact OD2-CE2 3.42Å; Q366-Y369 PolarHBondContact O-N 2.99Å; Y369-M371 VanDerWaalsContact C-N 3.27Å; Y369-M371 PolarHBondContact O-N 3.25Å; Y369-L372 HydrophobicContact CD1-CD1 4.08Å; Y369-L372 PolarHBondContact O-N 2.97Å; Y369-A373 PolarHBondContact O-N 3.23Å |
| 370 | S | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 171.9 | 77.9 | 0 | 0 | 0 | 0 | 112.2 | T342 Q366 P367 S374 R381 | T342-S370 WeakPolarHBondContact OG1-CB 3.28Å; T342-S370 PolarHBondContact OG1-N 3.31Å; Q366-S370 PolarHBondContact O-N 2.99Å; P367-S370 WeakPolarHBondContact CA-OG 3.14Å; P367-S370 PolarHBondContact O-N 3.16Å; P367-S370 PolarHBondContact O-OG 3.04Å; S370-S374 PolarHBondContact O-N 3.19Å; S370-S374 VanDerWaalsContact O-N 3.13Å; S370-S374 PolarHBondContact O-OG 2.73Å; S370-R381 VanDerWaalsContact OG-CD 3.26Å; S370-R381 WeakPolarHBondContact OG-CD 3.48Å; S370-R381 PolarHBondContact OG-NH1 3.34Å |
| 371 | M | 93.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -45.5 | 174.1 | 171.8 | 55 | 79 | 0 | 0 | 110.6 | I160 A164 P367 R368 Y369 A373 S374 M375 | I160-M371 HydrophobicContact CB-CG 4.09Å; I160-M371 HydrophobicContact CD1-CG 4.28Å; I160-M371 HydrophobicContact CG2-CG 4.03Å; A164-M371 VanDerWaalsContact C-CE 3.44Å; A164-M371 HydrophobicContact CB-CE 3.81Å; A164-M371 WeakPolarHBondContact O-CE 3.45Å; P367-M371 PolarHBondContact O-N 3.09Å; R368-M371 WeakPolarHBondContact O-CB 3.32Å; R368-M371 PolarHBondContact O-N 3.27Å; Y369-M371 VanDerWaalsContact C-N 3.27Å; Y369-M371 PolarHBondContact O-N 3.25Å; M371-A373 VanDerWaalsContact C-N 3.32Å; M371-A373 PolarHBondContact O-N 3.26Å; M371-S374 PolarHBondContact O-N 3.29Å; M371-S374 VanDerWaalsContact O-N 3.15Å; M371-M375 VanDerWaalsContact O-CB 3.25Å; M371-M375 WeakPolarHBondContact O-CB 3.41Å; M371-M375 PolarHBondContact O-N 2.85Å |
| 372 | L | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 176.2 | -69.8 | 171.5 | 0 | 0 | 0 | 111.5 | I160 L224 L228 F347 R368 Y369 S374 M375 H376 | I160-L372 HydrophobicContact CD1-CD1 4.33Å; I160-L372 HydrophobicContact CD1-CD2 3.61Å; I160-L372 HydrophobicContact CD1-CG 3.69Å; L224-L372 HydrophobicContact CD2-CD1 3.96Å; L228-L372 WeakPolarHBondContact O-CD2 3.23Å; F347-L372 HydrophobicContact CE2-CB 4.36Å; F347-L372 HydrophobicContact CZ-CB 4.07Å; R368-L372 WeakPolarHBondContact O-CG 3.47Å; R368-L372 PolarHBondContact O-N 2.95Å; Y369-L372 HydrophobicContact CD1-CD1 4.08Å; Y369-L372 PolarHBondContact O-N 2.97Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 2.95Å; L372-M375 HydrophobicContact CD2-CE 3.53Å; L372-M375 PolarHBondContact O-N 3.21Å; L372-H376 VanDerWaalsContact O-CB 3.25Å; L372-H376 WeakPolarHBondContact O-CB 3.26Å; L372-H376 PolarHBondContact O-CD2 3.13Å; L372-H376 PolarHBondContact O-N 2.86Å |
| 373 | A | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F347 Y369 M371 G377 F378 G379 | F347-A373 HydrophobicContact CE2-CB 4.04Å; Y369-A373 PolarHBondContact O-N 3.23Å; M371-A373 VanDerWaalsContact C-N 3.32Å; M371-A373 PolarHBondContact O-N 3.26Å; A373-G377 PolarHBondContact O-N 3.11Å; A373-G377 VanDerWaalsContact O-N 3.16Å; A373-F378 VanDerWaalsContact CA-CE2 3.4Å; A373-F378 HydrophobicContact CB-CD2 3.82Å; A373-F378 HydrophobicContact CB-CE2 3.4Å; A373-F378 HydrophobicContact CB-CZ 4.07Å; A373-F378 PolarHBondContact O-N 3.43Å; A373-G379 PolarHBondContact O-N 3.05Å; A373-G379 VanDerWaalsContact O-N 3.09Å |
| 374 | S | 95.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 20.2 Ų | 20.2 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -69.4 | -47 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | S370 M371 L372 H376 G377 G379 R381 | S370-S374 PolarHBondContact O-N 3.19Å; S370-S374 VanDerWaalsContact O-N 3.13Å; S370-S374 PolarHBondContact O-OG 2.73Å; M371-S374 PolarHBondContact O-N 3.29Å; M371-S374 VanDerWaalsContact O-N 3.15Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-S374 PolarHBondContact O-N 2.95Å; S374-H376 PolarHBondContact O-N 3.41Å; S374-G377 WeakPolarHBondContact O-CA 3.3Å; S374-G377 PolarHBondContact O-N 3Å; S374-G379 WeakPolarHBondContact CA-O 3.29Å; S374-R381 PolarHBondContact OG-N 3.01Å |
| 375 | M | 94.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 20.3 Ų | 20.3 | 25% | 0.251 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -59 | -45.2 | 177.7 | -179.6 | -173.9 | 77.5 | 0 | 0 | 111.6 | I160 Y167 V230 M371 L372 G377 | I160-M375 HydrophobicContact CG2-SD 4.06Å; Y167-M375 HydrophobicContact CD1-CG 3.8Å; Y167-M375 HydrophobicContact CD1-SD 3.41Å; Y167-M375 WeakPolarHBondContact CD1-SD 3.29Å; Y167-M375 HydrophobicContact CE1-SD 3.79Å; Y167-M375 HydrophobicContact CG-CG 4.25Å; Y167-M375 HydrophobicContact CG-SD 3.79Å; V230-M375 HydrophobicContact CG1-CE 3.93Å; V230-M375 HydrophobicContact CG1-SD 3.83Å; M371-M375 VanDerWaalsContact O-CB 3.25Å; M371-M375 WeakPolarHBondContact O-CB 3.41Å; M371-M375 PolarHBondContact O-N 2.85Å; L372-M375 HydrophobicContact CD2-CE 3.53Å; L372-M375 PolarHBondContact O-N 3.21Å; M375-G377 PolarHBondContact O-N 3.22Å |
| 376 | H | 96.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.5 | 177.8 | -71.1 | -46.9 | 0 | 0 | 0 | 113.1 | L228 L372 S374 F378 R408 F412 | L228-H376 PolarHBondContact O-CD2 2.96Å; L228-H376 PolarHBondContact O-NE2 2.79Å; L372-H376 VanDerWaalsContact O-CB 3.25Å; L372-H376 WeakPolarHBondContact O-CB 3.26Å; L372-H376 PolarHBondContact O-CD2 3.13Å; L372-H376 PolarHBondContact O-N 2.86Å; S374-H376 PolarHBondContact O-N 3.41Å; H376-F378 HydrophobicContact CB-CD1 3.45Å; H376-F378 VanDerWaalsContact CB-CD1 3.45Å; H376-F378 HydrophobicContact CB-CE1 3.33Å; H376-F378 HydrophobicContact CB-CZ 4.37Å; H376-F378 AromaticContact CD2-CE1 3.97Å; H376-F378 AromaticContact CG-CE1 4Å; H376-R408 VanDerWaalsContact O-CZ 3.3Å; H376-R408 PolarHBondContact O-NE 3.43Å; H376-R408 PolarHBondContact O-NH2 3.28Å; H376-F412 HydrophobicContact CB-CD2 4.28Å; H376-F412 HydrophobicContact CB-CE2 3.59Å; H376-F412 HydrophobicContact CB-CZ 3.76Å; H376-F412 AromaticContact CE1-CE1 3.91Å; H376-F412 AromaticContact CE1-CZ 3.81Å; H376-F412 AromaticContact CG-CE2 3.89Å; H376-F412 AromaticContact CG-CZ 3.49Å; H376-F412 VanDerWaalsContact CG-CZ 3.49Å; H376-F412 AromaticContact ND1-CE1 3.74Å; H376-F412 AromaticContact ND1-CE2 3.95Å; H376-F412 AromaticContact ND1-CZ 3.17Å; H376-F412 WeakPolarHBondContact ND1-CZ 3.46Å |
| 377 | G | 97.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 22.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A373 S374 M375 Y405 R408 | A373-G377 PolarHBondContact O-N 3.11Å; A373-G377 VanDerWaalsContact O-N 3.16Å; S374-G377 WeakPolarHBondContact O-CA 3.3Å; S374-G377 PolarHBondContact O-N 3Å; M375-G377 PolarHBondContact O-N 3.22Å; G377-Y405 WeakPolarHBondContact O-CD1 3.3Å; G377-R408 WeakPolarHBondContact O-CB 3.46Å |
| 378 | F | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -109.5 | -1.9 | 176.4 | 59.2 | -109.1 | 0 | 0 | 0 | 114.8 | F347 V351 P356 V357 A373 H376 R408 I409 F412 | F347-F378 HydrophobicContact CD2-CE2 4.42Å; F347-F378 AromaticContact CE2-CE2 3.73Å; F347-F378 HydrophobicContact CE2-CE2 3.73Å; F347-F378 AromaticContact CE2-CZ 3.54Å; F347-F378 HydrophobicContact CE2-CZ 3.54Å; F347-F378 HydrophobicContact CZ-CE2 4.34Å; F347-F378 AromaticContact CZ-CZ 3.7Å; F347-F378 HydrophobicContact CZ-CZ 3.7Å; V351-F378 HydrophobicContact CG2-CE1 4.5Å; V351-F378 HydrophobicContact CG2-CE2 4.19Å; V351-F378 HydrophobicContact CG2-CZ 3.89Å; P356-F378 WeakPolarHBondContact CA-O 3.43Å; V357-F378 PolarHBondContact N-O 3.37Å; A373-F378 VanDerWaalsContact CA-CE2 3.4Å; A373-F378 HydrophobicContact CB-CD2 3.82Å; A373-F378 HydrophobicContact CB-CE2 3.4Å; A373-F378 HydrophobicContact CB-CZ 4.07Å; A373-F378 PolarHBondContact O-N 3.43Å; H376-F378 HydrophobicContact CB-CD1 3.45Å; H376-F378 VanDerWaalsContact CB-CD1 3.45Å; H376-F378 HydrophobicContact CB-CE1 3.33Å; H376-F378 HydrophobicContact CB-CZ 4.37Å; H376-F378 AromaticContact CD2-CE1 3.97Å; H376-F378 AromaticContact CG-CE1 4Å; F378-R408 HydrophobicContact CB-CB 4.19Å; F378-I409 HydrophobicContact CB-CB 3.57Å; F378-I409 HydrophobicContact CB-CD1 4.28Å; F378-I409 HydrophobicContact CB-CG1 3.99Å; F378-I409 HydrophobicContact CD1-CG1 4.44Å; F378-I409 HydrophobicContact CD2-CD1 3.85Å; F378-I409 HydrophobicContact CD2-CG1 4.12Å; F378-I409 HydrophobicContact CE2-CD1 4.38Å; F378-I409 HydrophobicContact CG-CB 4.12Å; F378-I409 HydrophobicContact CG-CD1 4.2Å; F378-I409 HydrophobicContact CG-CG1 3.99Å; F378-F412 AromaticContact CD1-CD2 3.89Å; F378-F412 HydrophobicContact CD1-CD2 3.89Å; F378-F412 HydrophobicContact CD1-CE2 4.35Å; F378-F412 HydrophobicContact CE1-CD2 4.1Å; F378-F412 HydrophobicContact CE1-CG 4.34Å |
| 379 | G | 98.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V357 A373 S374 | V357-G379 CarbonylContact O-C 3.52Å; V357-G379 WeakPolarHBondContact O-CA 2.98Å; A373-G379 PolarHBondContact O-N 3.05Å; A373-G379 VanDerWaalsContact O-N 3.09Å; S374-G379 WeakPolarHBondContact CA-O 3.29Å |
| 380 | V | 97.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.1 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | V357 A359 T395 V399 Y405 | V357-V380 PolarHBondContact O-N 2.97Å; A359-V380 PolarHBondContact N-O 3.34Å; V380-T395 HydrophobicContact CB-CG2 3.67Å; V380-T395 HydrophobicContact CG1-CG2 3.63Å; V380-T395 HydrophobicContact CG2-CG2 4.43Å; V380-V399 HydrophobicContact CB-CG2 4.17Å; V380-V399 HydrophobicContact CG2-CG2 3.76Å; V380-Y405 HydrophobicContact CG2-CE1 3.64Å; V380-Y405 VanDerWaalsContact CG2-OH 3.24Å; V380-Y405 WeakPolarHBondContact CG2-OH 3.29Å |
| 381 | R | 95.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.4 | 175.4 | -179.4 | -172.6 | 174.6 | 157.1 | -8.1 | 111 | A162 A359 P361 P367 S370 S374 | A162-R381 PolarHBondContact O-NH1 3.22Å; A162-R381 PolarHBondContact O-NH2 3.3Å; A359-R381 CarbonylContact O-C 3.48Å; A359-R381 WeakPolarHBondContact O-CA 3.48Å; P361-R381 HydrophobicContact CG-CG 4.2Å; P367-R381 PolarHBondContact O-NH1 3.22Å; S370-R381 VanDerWaalsContact OG-CD 3.26Å; S370-R381 WeakPolarHBondContact OG-CD 3.48Å; S370-R381 PolarHBondContact OG-NH1 3.34Å; S374-R381 PolarHBondContact OG-N 3.01Å |
| 382 | L | 95.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | trans | -112.3 | 151.7 | 167.7 | -69.5 | 175.7 | 0 | 0 | 0 | 110.3 | V358 A359 V360 L387 A391 L392 T395 | V358-L382 HydrophobicContact CG1-CD1 3.78Å; V358-L382 HydrophobicContact CG1-CG 4.36Å; A359-L382 PolarHBondContact O-N 3.1Å; V360-L382 HydrophobicContact CG2-CB 4.31Å; L382-L387 HydrophobicContact CB-CD1 4.13Å; L382-L387 HydrophobicContact CD1-CD1 3.77Å; L382-A391 HydrophobicContact CD2-CB 4.39Å; L382-L392 HydrophobicContact CD1-CB 4.47Å; L382-L392 HydrophobicContact CD1-CD1 3.89Å; L382-T395 HydrophobicContact CD1-CG2 4.2Å; L382-T395 HydrophobicContact CD2-CG2 4.45Å; L382-T395 WeakPolarHBondContact CD2-OG1 3.23Å; L382-T395 HydrophobicContact CG-CG2 4.24Å | ||
| 383 | D | 92.3 | Very high | 96 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | trans | -89.6 | 118.5 | 175.1 | -179.4 | -6.4 | 0 | 0 | 0 | 109.7 | K70 T385 N386 L387 | K70-D383 WeakPolarHBondContact CD-OD2 3.39Å; K70-D383 WeakPolarHBondContact CE-OD2 3.15Å; K70-D383 IonicContact NZ-OD2 3.8Å; K70-D383 PolarHBondContact NZ-OD2 3.3Å; D383-T385 VanDerWaalsContact CG-OG1 3.26Å; D383-T385 PolarHBondContact O-N 3.4Å; D383-T385 PolarHBondContact OD1-N 3.48Å; D383-T385 PolarHBondContact OD1-OG1 3.19Å; D383-T385 PolarHBondContact OD2-OG1 3.46Å; D383-N386 HydrophobicContact CB-CB 4.38Å; D383-N386 CarbonylContact O-C 3.48Å; D383-N386 PolarHBondContact O-N 3.32Å; D383-N386 VanDerWaalsContact O-N 3.14Å; D383-L387 PolarHBondContact O-N 2.04Å; D383-L387 VanDerWaalsContact O-N 3.08Å | ||
| 384 | K | 91.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -57.7 | -31 | 178.4 | 70.9 | 177.1 | -176 | -113.1 | 0 | 113.2 | V66 W67 V69 V360 L362 N386 | V66-K384 WeakPolarHBondContact O-CD 3.48Å; V66-K384 WeakPolarHBondContact O-CE 3.49Å; V66-K384 PolarHBondContact O-NZ 2.79Å; V66-K384 VanDerWaalsContact O-NZ 3.16Å; W67-K384 WeakPolarHBondContact O-CD 3.31Å; W67-K384 WeakPolarHBondContact O-CE 3.36Å; V69-K384 WeakPolarHBondContact O-CE 3.3Å; V69-K384 PolarHBondContact O-NZ 3.49Å; V360-K384 HydrophobicContact CG1-CB 3.93Å; L362-K384 HydrophobicContact CD2-CB 4.32Å; L362-K384 HydrophobicContact CD2-CD 3.79Å; L362-K384 PolarHBondContact O-NZ 2.89Å; K384-N386 VanDerWaalsContact C-N 3.32Å |
| 385 | T | 90 | Very high | 96.2 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 41% | 0.405 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -81.3 | -15.8 | -176.8 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | R68 K70 D383 | R68-T385 WeakPolarHBondContact O-CG2 3.38Å; K70-T385 HydrophobicContact CB-CG2 3.81Å; D383-T385 VanDerWaalsContact CG-OG1 3.26Å; D383-T385 PolarHBondContact O-N 3.4Å; D383-T385 PolarHBondContact OD1-N 3.48Å; D383-T385 PolarHBondContact OD1-OG1 3.19Å; D383-T385 PolarHBondContact OD2-OG1 3.46Å |
| 386 | N | 90.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 39.2 Ų | 39.2 | 60% | 0.604 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -123.8 | 31.4 | 175.3 | -165.7 | 27.5 | 0 | 0 | 0 | 111.2 | D383 K384 T388 | D383-N386 HydrophobicContact CB-CB 4.38Å; D383-N386 CarbonylContact O-C 3.48Å; D383-N386 PolarHBondContact O-N 3.32Å; D383-N386 VanDerWaalsContact O-N 3.14Å; K384-N386 VanDerWaalsContact C-N 3.32Å; N386-T388 PolarHBondContact O-N 3.27Å; N386-T388 VanDerWaalsContact O-N 3.12Å |
| 387 | L | 95.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | trans | -78.1 | 100 | -178.2 | -171 | 69.1 | 0 | 0 | 0 | 109.7 | T285 A288 V289 V360 L382 D383 L392 | T285-L387 HydrophobicContact CG2-CD2 3.98Å; A288-L387 VanDerWaalsContact CB-O 3.27Å; A288-L387 WeakPolarHBondContact CB-O 3.47Å; V289-L387 HydrophobicContact CG2-CD2 3.9Å; V360-L387 HydrophobicContact CG1-CD2 4.45Å; L382-L387 HydrophobicContact CB-CD1 4.13Å; L382-L387 HydrophobicContact CD1-CD1 3.77Å; D383-L387 PolarHBondContact O-N 2.04Å; D383-L387 VanDerWaalsContact O-N 3.08Å; L387-L392 HydrophobicContact CD1-CB 4.16Å; L387-L392 HydrophobicContact CD1-CD1 4.5Å | ||
| 388 | T | 97.7 | Very high | 96.6 | Very high | 52 Ų | 52 | 42 Ų | 42 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | trans | -98.4 | 162.5 | 173.9 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | N386 E390 A391 L392 | N386-T388 PolarHBondContact O-N 3.27Å; N386-T388 VanDerWaalsContact O-N 3.12Å; T388-E390 VanDerWaalsContact C-N 3.27Å; T388-E390 PolarHBondContact O-N 3.26Å; T388-E390 PolarHBondContact OG1-OE2 3.2Å; T388-A391 PolarHBondContact O-N 3.05Å; T388-A391 WeakPolarHBondContact OG1-CB 2.96Å; T388-A391 PolarHBondContact OG1-N 2.6Å; T388-A391 VanDerWaalsContact OG1-N 3.08Å; T388-L392 WeakPolarHBondContact O-CB 3.06Å; T388-L392 PolarHBondContact O-N 3.46Å | ||
| 389 | K | 98.2 | Very high | 96.6 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -52.2 | -48.7 | 172 | 173.5 | -171.1 | -178.1 | 169.1 | 0 | 110.8 | S291 A292 N295 Y393 | S291-K389 VanDerWaalsContact O-CE 3.31Å; S291-K389 WeakPolarHBondContact O-CE 3.33Å; A292-K389 HydrophobicContact CB-CG 4.36Å; N295-K389 WeakPolarHBondContact ND2-CE 3.5Å; N295-K389 PolarHBondContact ND2-NZ 2.94Å; N295-K389 VanDerWaalsContact ND2-NZ 3.11Å; K389-Y393 WeakPolarHBondContact O-CB 3.12Å; K389-Y393 PolarHBondContact O-N 2.89Å |
| 390 | E | 98.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 43.3 Ų | 43.3 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.8 | -43.8 | -175.2 | -62.5 | 67.5 | -144.7 | 0 | 0 | 110.9 | T388 N394 | T388-E390 VanDerWaalsContact C-N 3.27Å; T388-E390 PolarHBondContact O-N 3.26Å; T388-E390 PolarHBondContact OG1-OE2 3.2Å; E390-N394 WeakPolarHBondContact O-CB 3.46Å; E390-N394 PolarHBondContact O-N 3.13Å; E390-N394 PolarHBondContact O-ND2 2.94Å; E390-N394 VanDerWaalsContact O-ND2 3.09Å |
| 391 | A | 98.2 | Very high | 96.6 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 26% | 0.256 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L382 T388 T395 | L382-A391 HydrophobicContact CD2-CB 4.39Å; T388-A391 PolarHBondContact O-N 3.05Å; T388-A391 WeakPolarHBondContact OG1-CB 2.96Å; T388-A391 PolarHBondContact OG1-N 2.6Å; T388-A391 VanDerWaalsContact OG1-N 3.08Å; A391-T395 VanDerWaalsContact O-CB 3.26Å; A391-T395 WeakPolarHBondContact O-CB 3.25Å; A391-T395 PolarHBondContact O-N 3.4Å; A391-T395 VanDerWaalsContact O-N 3.11Å; A391-T395 PolarHBondContact O-OG1 3.24Å |
| 392 | L | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -49.8 | 178.3 | -177.8 | 60 | 0 | 0 | 0 | 111.7 | V289 A292 F293 I339 V358 L382 L387 T388 N394 T395 I396 | V289-L392 HydrophobicContact CB-CD2 4.19Å; V289-L392 HydrophobicContact CG1-CD2 4.32Å; V289-L392 HydrophobicContact CG2-CD2 3.87Å; A292-L392 HydrophobicContact CB-CB 4.19Å; A292-L392 HydrophobicContact CB-CD2 3.92Å; A292-L392 HydrophobicContact CB-CG 4.12Å; F293-L392 HydrophobicContact CE1-CD2 4.48Å; I339-L392 HydrophobicContact CD1-CD1 4.42Å; V358-L392 HydrophobicContact CG1-CD1 4.25Å; L382-L392 HydrophobicContact CD1-CB 4.47Å; L382-L392 HydrophobicContact CD1-CD1 3.89Å; L387-L392 HydrophobicContact CD1-CB 4.16Å; L387-L392 HydrophobicContact CD1-CD1 4.5Å; T388-L392 WeakPolarHBondContact O-CB 3.06Å; T388-L392 PolarHBondContact O-N 3.46Å; L392-N394 PolarHBondContact O-N 3.35Å; L392-T395 PolarHBondContact O-N 2.88Å; L392-I396 HydrophobicContact CD1-CD1 3.81Å; L392-I396 HydrophobicContact CD1-CG1 4.1Å; L392-I396 HydrophobicContact CD2-CD1 4.48Å; L392-I396 HydrophobicContact CG-CD1 3.73Å; L392-I396 HydrophobicContact CG-CG1 4.43Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.22Å; L392-I396 PolarHBondContact O-N 3.16Å |
| 393 | Y | 98.7 | Very high | 96.9 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 27% | 0.271 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.1 | -53.6 | 178.5 | 174.4 | -89.3 | 0 | 0 | 0 | 111.7 | N295 L296 K389 T395 I396 V397 | N295-Y393 HydrophobicContact CB-CD2 4.05Å; N295-Y393 HydrophobicContact CB-CE2 4.03Å; N295-Y393 WeakPolarHBondContact O-CE2 3.28Å; L296-Y393 HydrophobicContact CD1-CD2 4.39Å; L296-Y393 HydrophobicContact CD2-CD2 3.72Å; L296-Y393 HydrophobicContact CD2-CE2 3.53Å; L296-Y393 HydrophobicContact CG-CD2 3.74Å; L296-Y393 HydrophobicContact CG-CE2 3.88Å; K389-Y393 WeakPolarHBondContact O-CB 3.12Å; K389-Y393 PolarHBondContact O-N 2.89Å; Y393-T395 VanDerWaalsContact C-N 3.27Å; Y393-T395 PolarHBondContact O-N 3.48Å; Y393-I396 PolarHBondContact O-N 3.48Å; Y393-V397 HydrophobicContact CD1-CG2 4.41Å; Y393-V397 HydrophobicContact CE1-CG2 3.99Å; Y393-V397 HydrophobicContact CE2-CG2 4.25Å; Y393-V397 WeakPolarHBondContact O-CG2 3.47Å; Y393-V397 PolarHBondContact O-N 3.45Å |
| 394 | N | 98.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | -177.7 | -71.5 | -28 | 0 | 0 | 0 | 111.6 | E390 L392 T398 | E390-N394 WeakPolarHBondContact O-CB 3.46Å; E390-N394 PolarHBondContact O-N 3.13Å; E390-N394 PolarHBondContact O-ND2 2.94Å; E390-N394 VanDerWaalsContact O-ND2 3.09Å; L392-N394 PolarHBondContact O-N 3.35Å; N394-T398 VanDerWaalsContact O-CB 3.25Å; N394-T398 WeakPolarHBondContact O-CB 3.44Å; N394-T398 PolarHBondContact O-N 3.48Å; N394-T398 PolarHBondContact O-OG1 2.8Å |
| 395 | T | 98.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.6 | -42 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | V358 V380 L382 A391 L392 Y393 T398 V399 | V358-T395 HydrophobicContact CG1-CG2 3.91Å; V358-T395 HydrophobicContact CG2-CG2 3.96Å; V380-T395 HydrophobicContact CB-CG2 3.67Å; V380-T395 HydrophobicContact CG1-CG2 3.63Å; V380-T395 HydrophobicContact CG2-CG2 4.43Å; L382-T395 HydrophobicContact CD1-CG2 4.2Å; L382-T395 HydrophobicContact CD2-CG2 4.45Å; L382-T395 WeakPolarHBondContact CD2-OG1 3.23Å; L382-T395 HydrophobicContact CG-CG2 4.24Å; A391-T395 VanDerWaalsContact O-CB 3.26Å; A391-T395 WeakPolarHBondContact O-CB 3.25Å; A391-T395 PolarHBondContact O-N 3.4Å; A391-T395 VanDerWaalsContact O-N 3.11Å; A391-T395 PolarHBondContact O-OG1 3.24Å; L392-T395 PolarHBondContact O-N 2.88Å; Y393-T395 VanDerWaalsContact C-N 3.27Å; Y393-T395 PolarHBondContact O-N 3.48Å; T395-T398 PolarHBondContact O-N 3.07Å; T395-V399 HydrophobicContact CG2-CG2 4.36Å; T395-V399 WeakPolarHBondContact O-CB 3.07Å; T395-V399 WeakPolarHBondContact O-CG2 3.04Å; T395-V399 PolarHBondContact O-N 3.47Å |
| 396 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 174.7 | -69.2 | 164.4 | 0 | 0 | 0 | 110.2 | I268 F293 L296 I339 V358 L392 Y393 T398 V399 A400 | I268-I396 HydrophobicContact CD1-CG2 3.85Å; I268-I396 HydrophobicContact CG1-CG2 4.08Å; I268-I396 HydrophobicContact CG2-CG2 4.27Å; F293-I396 HydrophobicContact CD1-CD1 4.45Å; F293-I396 HydrophobicContact CE1-CD1 3.98Å; L296-I396 HydrophobicContact CD1-CB 4.29Å; L296-I396 HydrophobicContact CD1-CD1 3.67Å; L296-I396 HydrophobicContact CD1-CG2 3.93Å; L296-I396 HydrophobicContact CD2-CG2 4.36Å; I339-I396 HydrophobicContact CD1-CD1 3.61Å; I339-I396 HydrophobicContact CD1-CG1 3.95Å; I339-I396 HydrophobicContact CG1-CG1 4.37Å; V358-I396 HydrophobicContact CG2-CG1 4.41Å; L392-I396 HydrophobicContact CD1-CD1 3.81Å; L392-I396 HydrophobicContact CD1-CG1 4.1Å; L392-I396 HydrophobicContact CD2-CD1 4.48Å; L392-I396 HydrophobicContact CG-CD1 3.73Å; L392-I396 HydrophobicContact CG-CG1 4.43Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.22Å; L392-I396 PolarHBondContact O-N 3.16Å; Y393-I396 PolarHBondContact O-N 3.48Å; I396-T398 VanDerWaalsContact C-N 3.34Å; I396-T398 PolarHBondContact O-N 3.16Å; I396-V399 PolarHBondContact O-N 3.16Å; I396-A400 WeakPolarHBondContact O-CB 3.17Å; I396-A400 PolarHBondContact O-N 3.46Å |
| 397 | V | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | L296 Y393 V399 A400 E401 | L296-V397 HydrophobicContact CD2-CG2 3.85Å; Y393-V397 HydrophobicContact CD1-CG2 4.41Å; Y393-V397 HydrophobicContact CE1-CG2 3.99Å; Y393-V397 HydrophobicContact CE2-CG2 4.25Å; Y393-V397 WeakPolarHBondContact O-CG2 3.47Å; Y393-V397 PolarHBondContact O-N 3.45Å; V397-V399 PolarHBondContact O-N 2.93Å; V397-A400 PolarHBondContact O-N 3.22Å; V397-E401 HydrophobicContact CG1-CG 4.23Å; V397-E401 WeakPolarHBondContact CG1-OE2 3.46Å; V397-E401 WeakPolarHBondContact O-CB 3.1Å; V397-E401 WeakPolarHBondContact O-CG 3.44Å; V397-E401 PolarHBondContact O-N 3.33Å |
| 398 | T | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | N394 T395 I396 N402 Y405 | N394-T398 VanDerWaalsContact O-CB 3.25Å; N394-T398 WeakPolarHBondContact O-CB 3.44Å; N394-T398 PolarHBondContact O-N 3.48Å; N394-T398 PolarHBondContact O-OG1 2.8Å; T395-T398 PolarHBondContact O-N 3.07Å; I396-T398 VanDerWaalsContact C-N 3.34Å; I396-T398 PolarHBondContact O-N 3.16Å; T398-N402 WeakPolarHBondContact O-CB 3.48Å; T398-N402 PolarHBondContact O-N 2.9Å; T398-Y405 HydrophobicContact CG2-CE2 4.03Å |
| 399 | V | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.7 | -37.3 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | V337 P356 V358 V380 T395 I396 V397 Y405 | V337-V399 HydrophobicContact CG1-CG1 4.2Å; V337-V399 HydrophobicContact CG2-CB 4.34Å; V337-V399 HydrophobicContact CG2-CG1 4.04Å; P356-V399 HydrophobicContact CB-CG1 3.39Å; V358-V399 HydrophobicContact CG2-CB 4.15Å; V358-V399 HydrophobicContact CG2-CG1 4.45Å; V358-V399 HydrophobicContact CG2-CG2 3.96Å; V380-V399 HydrophobicContact CB-CG2 4.17Å; V380-V399 HydrophobicContact CG2-CG2 3.76Å; T395-V399 HydrophobicContact CG2-CG2 4.36Å; T395-V399 WeakPolarHBondContact O-CB 3.07Å; T395-V399 WeakPolarHBondContact O-CG2 3.04Å; T395-V399 PolarHBondContact O-N 3.47Å; I396-V399 PolarHBondContact O-N 3.16Å; V397-V399 PolarHBondContact O-N 2.93Å; V399-Y405 HydrophobicContact CB-CD2 4.36Å; V399-Y405 HydrophobicContact CG1-CD2 4.45Å; V399-Y405 HydrophobicContact CG1-CG 4.35Å; V399-Y405 HydrophobicContact CG2-CD2 4.3Å; V399-Y405 HydrophobicContact CG2-CE2 4.2Å |
| 400 | A | 98.5 | Very high | 98.5 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y299 V337 I396 V397 | Y299-A400 HydrophobicContact CE1-CB 4.24Å; Y299-A400 WeakPolarHBondContact OH-CB 3.21Å; V337-A400 HydrophobicContact CG2-CB 3.66Å; I396-A400 WeakPolarHBondContact O-CB 3.17Å; I396-A400 PolarHBondContact O-N 3.46Å; V397-A400 PolarHBondContact O-N 3.22Å |
| 401 | E | 98 | Very high | 98.5 | Very high | 110 Ų | 110 | 62.4 Ų | 62.4 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -93.7 | -25.6 | -171.6 | -62 | -173.2 | 162.7 | 0 | 0 | 113 | K265 V397 R403 | K265-E401 IonicContact NZ-OE1 3.47Å; V397-E401 HydrophobicContact CG1-CG 4.23Å; V397-E401 WeakPolarHBondContact CG1-OE2 3.46Å; V397-E401 WeakPolarHBondContact O-CB 3.1Å; V397-E401 WeakPolarHBondContact O-CG 3.44Å; V397-E401 PolarHBondContact O-N 3.33Å; E401-R403 PolarHBondContact O-N 2.65Å |
| 402 | N | 98.3 | Very high | 98.5 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | trans | -85.1 | 103.1 | 176.8 | -169.5 | -22.3 | 0 | 0 | 0 | 111.6 | T398 K404 Y405 | T398-N402 WeakPolarHBondContact O-CB 3.48Å; T398-N402 PolarHBondContact O-N 2.9Å; N402-K404 PolarHBondContact O-N 3.17Å; N402-K404 WeakPolarHBondContact OD1-CB 3.44Å; N402-K404 PolarHBondContact OD1-N 3.5Å; N402-Y405 HydrophobicContact CB-CD2 3.88Å; N402-Y405 HydrophobicContact CB-CE2 3.85Å; N402-Y405 WeakPolarHBondContact O-CD2 3.3Å; N402-Y405 PolarHBondContact O-N 2.81Å; N402-Y405 VanDerWaalsContact O-N 3.17Å | ||
| 403 | R | 97.8 | Very high | 98.4 | Very high | 183 Ų | 183 | 62.5 Ų | 62.5 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -53.5 | -24.2 | -179.6 | -178.7 | 170.9 | 157.7 | 176 | -9 | 114.4 | E401 Y405 K406 E407 | E401-R403 PolarHBondContact O-N 2.65Å; R403-Y405 VanDerWaalsContact C-N 3.26Å; R403-Y405 PolarHBondContact O-N 3.06Å; R403-K406 PolarHBondContact O-N 3.04Å; R403-K406 VanDerWaalsContact O-N 3.17Å; R403-E407 HydrophobicContact CG-CG 3.82Å; R403-E407 IonicContact CZ-OE1 3.77Å; R403-E407 IonicContact NE-OE1 2.84Å; R403-E407 PolarHBondContact NE-OE1 3.35Å; R403-E407 IonicContact NH2-OE1 3.15Å; R403-E407 PolarHBondContact NH2-OE1 3.27Å; R403-E407 WeakPolarHBondContact O-CG 3.46Å; R403-E407 PolarHBondContact O-N 3.11Å |
| 404 | K | 98.5 | Very high | 98.2 | Very high | 113 Ų | 113 | 60.7 Ų | 60.7 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50.9 | -44.1 | 175.9 | 176.8 | -176.1 | 170.6 | -173.9 | 0 | 112.2 | N402 E407 R408 | N402-K404 PolarHBondContact O-N 3.17Å; N402-K404 WeakPolarHBondContact OD1-CB 3.44Å; N402-K404 PolarHBondContact OD1-N 3.5Å; K404-E407 PolarHBondContact O-N 2.69Å; K404-R408 HydrophobicContact CG-CG 4.2Å; K404-R408 WeakPolarHBondContact O-CB 3.17Å; K404-R408 WeakPolarHBondContact O-CG 3.13Å; K404-R408 PolarHBondContact O-N 2.99Å |
| 405 | Y | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | -176.9 | -61.2 | -76.8 | 0 | 0 | 0 | 111.4 | G377 V380 T398 V399 N402 R403 R408 I409 | G377-Y405 WeakPolarHBondContact O-CD1 3.3Å; V380-Y405 HydrophobicContact CG2-CE1 3.64Å; V380-Y405 VanDerWaalsContact CG2-OH 3.24Å; V380-Y405 WeakPolarHBondContact CG2-OH 3.29Å; T398-Y405 HydrophobicContact CG2-CE2 4.03Å; V399-Y405 HydrophobicContact CB-CD2 4.36Å; V399-Y405 HydrophobicContact CG1-CD2 4.45Å; V399-Y405 HydrophobicContact CG1-CG 4.35Å; V399-Y405 HydrophobicContact CG2-CD2 4.3Å; V399-Y405 HydrophobicContact CG2-CE2 4.2Å; N402-Y405 HydrophobicContact CB-CD2 3.88Å; N402-Y405 HydrophobicContact CB-CE2 3.85Å; N402-Y405 WeakPolarHBondContact O-CD2 3.3Å; N402-Y405 PolarHBondContact O-N 2.81Å; N402-Y405 VanDerWaalsContact O-N 3.17Å; R403-Y405 VanDerWaalsContact C-N 3.26Å; R403-Y405 PolarHBondContact O-N 3.06Å; Y405-R408 PolarHBondContact O-N 3.16Å; Y405-I409 PolarHBondContact O-N 2.95Å |
| 406 | K | 98.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.2 | -175.2 | 64.4 | 178 | -169.9 | 0 | 112 | A354 P356 R403 I409 T410 | A354-K406 VanDerWaalsContact O-CD 3.29Å; A354-K406 WeakPolarHBondContact O-CD 3.38Å; A354-K406 WeakPolarHBondContact O-CE 3.38Å; A354-K406 PolarHBondContact O-NZ 3.42Å; P356-K406 HydrophobicContact CG-CB 3.98Å; P356-K406 HydrophobicContact CG-CD 4.12Å; R403-K406 PolarHBondContact O-N 3.04Å; R403-K406 VanDerWaalsContact O-N 3.17Å; K406-I409 HydrophobicContact CD-CG2 4.42Å; K406-I409 WeakPolarHBondContact O-CG2 3.22Å; K406-T410 VanDerWaalsContact O-CB 3.27Å; K406-T410 WeakPolarHBondContact O-CB 3.35Å; K406-T410 PolarHBondContact O-N 3.38Å; K406-T410 PolarHBondContact O-OG1 3.42Å |
| 407 | E | 98.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.5 | -73.5 | 178.4 | 155.8 | 0 | 0 | 112.1 | R403 K404 T410 K411 | R403-E407 HydrophobicContact CG-CG 3.82Å; R403-E407 IonicContact CZ-OE1 3.77Å; R403-E407 IonicContact NE-OE1 2.84Å; R403-E407 PolarHBondContact NE-OE1 3.35Å; R403-E407 IonicContact NH2-OE1 3.15Å; R403-E407 PolarHBondContact NH2-OE1 3.27Å; R403-E407 WeakPolarHBondContact O-CG 3.46Å; R403-E407 PolarHBondContact O-N 3.11Å; K404-E407 PolarHBondContact O-N 2.69Å; E407-T410 PolarHBondContact O-N 3.47Å; E407-K411 PolarHBondContact O-N 2.96Å |
| 408 | R | 98.6 | Very high | 97 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 178.6 | -70.4 | -65.4 | -63.9 | -175.8 | -1.5 | 110.9 | H376 G377 F378 K404 Y405 T410 K411 F412 | H376-R408 VanDerWaalsContact O-CZ 3.3Å; H376-R408 PolarHBondContact O-NE 3.43Å; H376-R408 PolarHBondContact O-NH2 3.28Å; G377-R408 WeakPolarHBondContact O-CB 3.46Å; F378-R408 HydrophobicContact CB-CB 4.19Å; K404-R408 HydrophobicContact CG-CG 4.2Å; K404-R408 WeakPolarHBondContact O-CB 3.17Å; K404-R408 WeakPolarHBondContact O-CG 3.13Å; K404-R408 PolarHBondContact O-N 2.99Å; Y405-R408 PolarHBondContact O-N 3.16Å; R408-T410 VanDerWaalsContact C-N 3.34Å; R408-T410 PolarHBondContact O-N 2.93Å; R408-K411 WeakPolarHBondContact O-CB 3.49Å; R408-K411 PolarHBondContact O-N 3.36Å; R408-F412 VanDerWaalsContact O-CD2 3.26Å; R408-F412 WeakPolarHBondContact O-CD2 3.27Å; R408-F412 PolarHBondContact O-N 3.49Å; R408-F412 VanDerWaalsContact O-N 3.11Å |
| 409 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -34.5 | -179 | -152.4 | 169.6 | 0 | 0 | 0 | 112.8 | A350 V351 A354 T355 P356 F378 Y405 K406 K411 F412 S413 | A350-I409 HydrophobicContact CB-CD1 4.33Å; A350-I409 VanDerWaalsContact O-CD1 3.26Å; A350-I409 WeakPolarHBondContact O-CD1 3.28Å; V351-I409 HydrophobicContact CG2-CD1 4.47Å; V351-I409 HydrophobicContact CG2-CG1 4.4Å; A354-I409 HydrophobicContact CB-CG2 4.07Å; A354-I409 WeakPolarHBondContact O-CG2 3.22Å; T355-I409 WeakPolarHBondContact O-CD1 3.42Å; P356-I409 HydrophobicContact CG-CG2 4.27Å; F378-I409 HydrophobicContact CB-CB 3.57Å; F378-I409 HydrophobicContact CB-CD1 4.28Å; F378-I409 HydrophobicContact CB-CG1 3.99Å; F378-I409 HydrophobicContact CD1-CG1 4.44Å; F378-I409 HydrophobicContact CD2-CD1 3.85Å; F378-I409 HydrophobicContact CD2-CG1 4.12Å; F378-I409 HydrophobicContact CE2-CD1 4.38Å; F378-I409 HydrophobicContact CG-CB 4.12Å; F378-I409 HydrophobicContact CG-CD1 4.2Å; F378-I409 HydrophobicContact CG-CG1 3.99Å; Y405-I409 PolarHBondContact O-N 2.95Å; K406-I409 HydrophobicContact CD-CG2 4.42Å; K406-I409 WeakPolarHBondContact O-CG2 3.22Å; I409-K411 VanDerWaalsContact C-N 3.28Å; I409-K411 PolarHBondContact O-N 2.87Å; I409-F412 PolarHBondContact O-N 3.19Å; I409-S413 WeakPolarHBondContact O-CB 3.22Å; I409-S413 PolarHBondContact O-N 3.47Å |
| 410 | T | 98.5 | Very high | 96.1 | Very high | 69 Ų | 69 | 77.9 Ų | 77.9 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 175 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | K406 E407 R408 S413 G414 | K406-T410 VanDerWaalsContact O-CB 3.27Å; K406-T410 WeakPolarHBondContact O-CB 3.35Å; K406-T410 PolarHBondContact O-N 3.38Å; K406-T410 PolarHBondContact O-OG1 3.42Å; E407-T410 PolarHBondContact O-N 3.47Å; R408-T410 VanDerWaalsContact C-N 3.34Å; R408-T410 PolarHBondContact O-N 2.93Å; T410-S413 WeakPolarHBondContact O-CB 3.43Å; T410-S413 PolarHBondContact O-N 3.23Å; T410-G414 PolarHBondContact O-N 2.97Å |
| 411 | K | 98.4 | Very high | 95.7 | Very high | 126 Ų | 126 | 80.2 Ų | 80.2 | 55% | 0.548 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 173.5 | -172.9 | 179.1 | 178.1 | 175.7 | 0 | 111.9 | E407 R408 I409 G414 M415 | E407-K411 PolarHBondContact O-N 2.96Å; R408-K411 WeakPolarHBondContact O-CB 3.49Å; R408-K411 PolarHBondContact O-N 3.36Å; I409-K411 VanDerWaalsContact C-N 3.28Å; I409-K411 PolarHBondContact O-N 2.87Å; K411-G414 PolarHBondContact O-N 2.77Å; K411-M415 HydrophobicContact CG-CE 4.2Å; K411-M415 WeakPolarHBondContact O-CG 3.31Å; K411-M415 PolarHBondContact O-N 3.32Å |
| 412 | F | 97.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 177.6 | -81.1 | -78.9 | 0 | 0 | 0 | 112.8 | I227 L228 V351 H376 F378 R408 I409 G414 M415 I416 | I227-F412 WeakPolarHBondContact O-CE1 3.26Å; L228-F412 HydrophobicContact CD2-CB 4.09Å; L228-F412 HydrophobicContact CD2-CD1 3.57Å; L228-F412 HydrophobicContact CD2-CE1 4.36Å; L228-F412 HydrophobicContact CD2-CG 4.09Å; V351-F412 HydrophobicContact CG1-CB 3.96Å; H376-F412 HydrophobicContact CB-CD2 4.28Å; H376-F412 HydrophobicContact CB-CE2 3.59Å; H376-F412 HydrophobicContact CB-CZ 3.76Å; H376-F412 AromaticContact CE1-CE1 3.91Å; H376-F412 AromaticContact CE1-CZ 3.81Å; H376-F412 AromaticContact CG-CE2 3.89Å; H376-F412 AromaticContact CG-CZ 3.49Å; H376-F412 VanDerWaalsContact CG-CZ 3.49Å; H376-F412 AromaticContact ND1-CE1 3.74Å; H376-F412 AromaticContact ND1-CE2 3.95Å; H376-F412 AromaticContact ND1-CZ 3.17Å; H376-F412 WeakPolarHBondContact ND1-CZ 3.46Å; F378-F412 AromaticContact CD1-CD2 3.89Å; F378-F412 HydrophobicContact CD1-CD2 3.89Å; F378-F412 HydrophobicContact CD1-CE2 4.35Å; F378-F412 HydrophobicContact CE1-CD2 4.1Å; F378-F412 HydrophobicContact CE1-CG 4.34Å; R408-F412 VanDerWaalsContact O-CD2 3.26Å; R408-F412 WeakPolarHBondContact O-CD2 3.27Å; R408-F412 PolarHBondContact O-N 3.49Å; R408-F412 VanDerWaalsContact O-N 3.11Å; I409-F412 PolarHBondContact O-N 3.19Å; F412-G414 VanDerWaalsContact C-N 3.33Å; F412-G414 PolarHBondContact O-N 3.23Å; F412-M415 HydrophobicContact CB-CE 4.28Å; F412-M415 HydrophobicContact CD1-CE 3.23Å; F412-M415 HydrophobicContact CD2-CE 4.22Å; F412-M415 HydrophobicContact CE1-CE 3.43Å; F412-M415 VanDerWaalsContact CE1-CE 3.43Å; F412-M415 HydrophobicContact CE2-CE 4.35Å; F412-M415 HydrophobicContact CG-CE 3.67Å; F412-M415 HydrophobicContact CZ-CE 3.98Å; F412-M415 PolarHBondContact O-N 2.88Å; F412-I416 WeakPolarHBondContact O-CG1 3.37Å; F412-I416 PolarHBondContact O-N 3.3Å |
| 413 | S | 96.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 74.3 Ų | 74.3 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53 | -50.9 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 111 | V351 C352 I409 T410 M415 I416 S417 | V351-S413 WeakPolarHBondContact O-CA 3.42Å; V351-S413 WeakPolarHBondContact O-CB 3.42Å; V351-S413 PolarHBondContact O-OG 3.36Å; V351-S413 VanDerWaalsContact O-OG 3.09Å; C352-S413 PolarHBondContact O-OG 3.25Å; C352-S413 VanDerWaalsContact O-OG 3.11Å; I409-S413 WeakPolarHBondContact O-CB 3.22Å; I409-S413 PolarHBondContact O-N 3.47Å; T410-S413 WeakPolarHBondContact O-CB 3.43Å; T410-S413 PolarHBondContact O-N 3.23Å; S413-M415 PolarHBondContact O-N 3.39Å; S413-I416 VanDerWaalsContact O-CG1 3.26Å; S413-I416 WeakPolarHBondContact O-CG1 3.37Å; S413-I416 PolarHBondContact O-N 2.9Å; S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.35Å; S413-S417 VanDerWaalsContact O-N 3.08Å; S413-S417 PolarHBondContact O-OG 2.99Å |
| 414 | G | 95.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.4 | -50 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T410 K411 F412 I416 S417 D418 | T410-G414 PolarHBondContact O-N 2.97Å; K411-G414 PolarHBondContact O-N 2.77Å; F412-G414 VanDerWaalsContact C-N 3.33Å; F412-G414 PolarHBondContact O-N 3.23Å; G414-I416 PolarHBondContact O-N 2.9Å; G414-S417 WeakPolarHBondContact CA-OG 3.41Å; G414-S417 PolarHBondContact O-N 3.17Å; G414-S417 VanDerWaalsContact O-N 3.16Å; G414-S417 PolarHBondContact O-OG 2.85Å; G414-D418 WeakPolarHBondContact O-CB 3.37Å; G414-D418 PolarHBondContact O-N 3.22Å |
| 415 | M | 95 | Very high | 94.1 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | -178.2 | -68.3 | -175.6 | -60.1 | 0 | 0 | 113.8 | I227 K411 F412 S413 S417 | I227-M415 HydrophobicContact CD1-SD 4.19Å; I227-M415 HydrophobicContact CG1-CB 4.11Å; I227-M415 HydrophobicContact CG1-CE 4.05Å; I227-M415 HydrophobicContact CG1-SD 4.1Å; K411-M415 HydrophobicContact CG-CE 4.2Å; K411-M415 WeakPolarHBondContact O-CG 3.31Å; K411-M415 PolarHBondContact O-N 3.32Å; F412-M415 HydrophobicContact CB-CE 4.28Å; F412-M415 HydrophobicContact CD1-CE 3.23Å; F412-M415 HydrophobicContact CD2-CE 4.22Å; F412-M415 HydrophobicContact CE1-CE 3.43Å; F412-M415 VanDerWaalsContact CE1-CE 3.43Å; F412-M415 HydrophobicContact CE2-CE 4.35Å; F412-M415 HydrophobicContact CG-CE 3.67Å; F412-M415 HydrophobicContact CZ-CE 3.98Å; F412-M415 PolarHBondContact O-N 2.88Å; S413-M415 PolarHBondContact O-N 3.39Å; M415-S417 VanDerWaalsContact C-N 3.32Å |
| 416 | I | 92.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.7 | -22.5 | 176.9 | 66.1 | 160.6 | 0 | 0 | 0 | 112.5 | P225 I227 L228 V351 F412 S413 G414 | P225-I416 HydrophobicContact CB-CG2 4.26Å; P225-I416 HydrophobicContact CG-CG2 4.29Å; I227-I416 HydrophobicContact CG2-CG2 3.51Å; L228-I416 HydrophobicContact CD1-CG2 4.02Å; L228-I416 HydrophobicContact CD2-CG2 4.12Å; L228-I416 HydrophobicContact CG-CG2 3.88Å; V351-I416 HydrophobicContact CB-CD1 4.15Å; V351-I416 HydrophobicContact CG1-CD1 3.54Å; V351-I416 HydrophobicContact CG1-CG1 4.01Å; V351-I416 HydrophobicContact CG1-CG2 4.42Å; F412-I416 WeakPolarHBondContact O-CG1 3.37Å; F412-I416 PolarHBondContact O-N 3.3Å; S413-I416 VanDerWaalsContact O-CG1 3.26Å; S413-I416 WeakPolarHBondContact O-CG1 3.37Å; S413-I416 PolarHBondContact O-N 2.9Å; G414-I416 PolarHBondContact O-N 2.9Å |
| 417 | S | 90.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.2 | -27.2 | 176.9 | 71.3 | 0 | 0 | 0 | 0 | 113.1 | S413 G414 M415 R419 | S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.35Å; S413-S417 VanDerWaalsContact O-N 3.08Å; S413-S417 PolarHBondContact O-OG 2.99Å; G414-S417 WeakPolarHBondContact CA-OG 3.41Å; G414-S417 PolarHBondContact O-N 3.17Å; G414-S417 VanDerWaalsContact O-N 3.16Å; G414-S417 PolarHBondContact O-OG 2.85Å; M415-S417 VanDerWaalsContact C-N 3.32Å; S417-R419 PolarHBondContact O-N 3.12Å; S417-R419 VanDerWaalsContact O-N 3.14Å |
| 418 | D | 92.1 | Very high | 93.2 | Very high | 143 Ų | 143 | 56.3 Ų | 56.3 | 77% | 0.765 | 30% | 0.298 | S | S | * | . | trans | -85.6 | 78.6 | -179 | -168.6 | 11.5 | 0 | 0 | 0 | 111.2 | G414 | G414-D418 WeakPolarHBondContact O-CB 3.37Å; G414-D418 PolarHBondContact O-N 3.22Å | ||
| 419 | R | 87.8 | Confident | 93 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | trans | -134.2 | 148.5 | -177.4 | 57.6 | -173.4 | 171.4 | -177.7 | -0.9 | 111.5 | D242 S417 I421 | D242-R419 IonicContact OD2-NH1 2.7Å; D242-R419 PolarHBondContact OD2-NH1 3.4Å; S417-R419 PolarHBondContact O-N 3.12Å; S417-R419 VanDerWaalsContact O-N 3.14Å; R419-I421 VanDerWaalsContact C-N 3.35Å; R419-I421 WeakPolarHBondContact CD-O 3.34Å; R419-I421 WeakPolarHBondContact CG-O 3.37Å; R419-I421 PolarHBondContact O-N 3.34Å | ||
| 420 | I | 89.9 | Confident | 92.8 | Very high | 176 Ų | 176 | 59.2 Ų | 59.2 | 90% | 0.903 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -61 | -44 | -178.7 | -59.6 | 174.4 | 0 | 0 | 0 | 111.3 | ||
| 421 | I | 90.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 56 Ų | 56 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -138.3 | 151.9 | 174.9 | 56.3 | 176.6 | 0 | 0 | 0 | 108.9 | R419 N426 | R419-I421 VanDerWaalsContact C-N 3.35Å; R419-I421 WeakPolarHBondContact CD-O 3.34Å; R419-I421 WeakPolarHBondContact CG-O 3.37Å; R419-I421 PolarHBondContact O-N 3.34Å; I421-N426 HydrophobicContact CD1-CB 3.79Å; I421-N426 HydrophobicContact CG1-CB 4.11Å |
| 422 | D | 87.7 | Confident | 92.6 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -66.7 | 155.3 | 173 | 74.3 | 87.1 | 0 | 0 | 0 | 111.3 | T424 S425 N426 | D422-T424 VanDerWaalsContact C-N 3.31Å; D422-T424 PolarHBondContact O-N 3.29Å; D422-T424 WeakPolarHBondContact OD1-CA 3.33Å; D422-T424 WeakPolarHBondContact OD1-CB 3.12Å; D422-T424 PolarHBondContact OD1-N 2.87Å; D422-T424 VanDerWaalsContact OD1-N 3.07Å; D422-S425 CarbonylContact O-C 3.45Å; D422-S425 WeakPolarHBondContact O-CB 3.45Å; D422-S425 PolarHBondContact O-N 2.89Å; D422-S425 VanDerWaalsContact O-N 3.14Å; D422-S425 PolarHBondContact OD1-N 3.06Å; D422-S425 PolarHBondContact OD1-OG 2.92Å; D422-S425 WeakPolarHBondContact OD2-CB 3.44Å; D422-S425 PolarHBondContact OD2-OG 2.99Å; D422-N426 PolarHBondContact O-N 3.49Å | ||
| 423 | A | 88 | Confident | 92.5 | Very high | 6 Ų | 6 | 53 Ų | 53 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -27.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | D242 N426 G427 | D242-A423 HydrophobicContact CB-CB 3.5Å; D242-A423 VanDerWaalsContact CB-CB 3.5Å; D242-A423 WeakPolarHBondContact OD2-CB 3.5Å; A423-N426 PolarHBondContact O-N 3.3Å; A423-G427 PolarHBondContact O-N 3.45Å |
| 424 | T | 90.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 172.6 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | P15 A19 D422 N426 G427 K428 | P15-T424 HydrophobicContact CB-CG2 4.44Å; A19-T424 HydrophobicContact CB-CG2 3.56Å; D422-T424 VanDerWaalsContact C-N 3.31Å; D422-T424 PolarHBondContact O-N 3.29Å; D422-T424 WeakPolarHBondContact OD1-CA 3.33Å; D422-T424 WeakPolarHBondContact OD1-CB 3.12Å; D422-T424 PolarHBondContact OD1-N 2.87Å; D422-T424 VanDerWaalsContact OD1-N 3.07Å; T424-N426 VanDerWaalsContact C-N 3.33Å; T424-N426 PolarHBondContact O-N 3.18Å; T424-G427 PolarHBondContact O-N 3.06Å; T424-K428 VanDerWaalsContact O-CB 3.29Å; T424-K428 WeakPolarHBondContact O-CB 3.43Å; T424-K428 PolarHBondContact O-N 3.32Å |
| 425 | S | 91.8 | Very high | 92.5 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 172.4 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | D422 F429 | D422-S425 CarbonylContact O-C 3.45Å; D422-S425 WeakPolarHBondContact O-CB 3.45Å; D422-S425 PolarHBondContact O-N 2.89Å; D422-S425 VanDerWaalsContact O-N 3.14Å; D422-S425 PolarHBondContact OD1-N 3.06Å; D422-S425 PolarHBondContact OD1-OG 2.92Å; D422-S425 WeakPolarHBondContact OD2-CB 3.44Å; D422-S425 PolarHBondContact OD2-OG 2.99Å; S425-F429 VanDerWaalsContact O-CB 3.3Å; S425-F429 WeakPolarHBondContact O-CB 3.46Å; S425-F429 PolarHBondContact O-N 3.16Å |
| 426 | N | 91.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -50.3 | 174.1 | -176.1 | 55.5 | 0 | 0 | 0 | 112 | V240 I421 D422 A423 T424 K428 F429 W430 | V240-N426 PolarHBondContact O-ND2 3.38Å; I421-N426 HydrophobicContact CD1-CB 3.79Å; I421-N426 HydrophobicContact CG1-CB 4.11Å; D422-N426 PolarHBondContact O-N 3.49Å; A423-N426 PolarHBondContact O-N 3.3Å; T424-N426 VanDerWaalsContact C-N 3.33Å; T424-N426 PolarHBondContact O-N 3.18Å; N426-K428 VanDerWaalsContact C-N 3.34Å; N426-K428 PolarHBondContact O-N 3.23Å; N426-F429 WeakPolarHBondContact O-CB 3.38Å; N426-F429 PolarHBondContact O-N 3.3Å; N426-W430 VanDerWaalsContact O-CD1 3.24Å; N426-W430 PolarHBondContact O-N 3.39Å; N426-W430 VanDerWaalsContact O-N 3.09Å; N426-W430 PolarHBondContact OD1-NE1 3.27Å |
| 427 | G | 92.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V241 A423 T424 F429 W430 I431 | V241-G427 VanDerWaalsContact CG2-CA 3.43Å; A423-G427 PolarHBondContact O-N 3.45Å; T424-G427 PolarHBondContact O-N 3.06Å; G427-F429 VanDerWaalsContact C-N 3.34Å; G427-F429 PolarHBondContact O-N 2.93Å; G427-W430 PolarHBondContact O-N 2.88Å; G427-I431 WeakPolarHBondContact O-CG1 3.24Å; G427-I431 PolarHBondContact O-N 3.37Å |
| 428 | K | 93.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 61 Ų | 61 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 174.7 | -171.6 | -172.7 | 76.6 | 154.5 | 0 | 111.9 | L16 A19 L20 D23 T424 N426 W430 I431 N432 | L16-K428 HydrophobicContact CD1-CB 4.42Å; A19-K428 HydrophobicContact CB-CD 3.9Å; A19-K428 HydrophobicContact CB-CG 4.48Å; A19-K428 VanDerWaalsContact O-CD 3.28Å; A19-K428 WeakPolarHBondContact O-CD 3.45Å; L20-K428 HydrophobicContact CD2-CG 3.9Å; L20-K428 HydrophobicContact CG-CG 4.38Å; D23-K428 VanDerWaalsContact CG-NZ 3.3Å; D23-K428 IonicContact OD1-NZ 2.65Å; D23-K428 PolarHBondContact OD1-NZ 3.38Å; D23-K428 WeakPolarHBondContact OD2-CD 3.45Å; D23-K428 WeakPolarHBondContact OD2-CE 3.29Å; D23-K428 WeakPolarHBondContact OD2-CG 3.24Å; D23-K428 IonicContact OD2-NZ 3.78Å; D23-K428 PolarHBondContact OD2-NZ 3.39Å; D23-K428 VanDerWaalsContact OD2-NZ 3.08Å; T424-K428 VanDerWaalsContact O-CB 3.29Å; T424-K428 WeakPolarHBondContact O-CB 3.43Å; T424-K428 PolarHBondContact O-N 3.32Å; N426-K428 VanDerWaalsContact C-N 3.34Å; N426-K428 PolarHBondContact O-N 3.23Å; K428-W430 PolarHBondContact O-N 3.07Å; K428-I431 PolarHBondContact O-N 3.38Å; K428-N432 WeakPolarHBondContact O-CB 3.43Å; K428-N432 PolarHBondContact O-N 2.98Å; K428-N432 PolarHBondContact O-ND2 2.81Å |
| 429 | F | 94.6 | Very high | 92.9 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 40% | 0.404 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 178.9 | 171.4 | -92 | 0 | 0 | 0 | 111.7 | S425 N426 G427 N432 F433 | S425-F429 VanDerWaalsContact O-CB 3.3Å; S425-F429 WeakPolarHBondContact O-CB 3.46Å; S425-F429 PolarHBondContact O-N 3.16Å; N426-F429 WeakPolarHBondContact O-CB 3.38Å; N426-F429 PolarHBondContact O-N 3.3Å; G427-F429 VanDerWaalsContact C-N 3.34Å; G427-F429 PolarHBondContact O-N 2.93Å; F429-N432 PolarHBondContact O-N 2.82Å; F429-F433 HydrophobicContact CZ-CD2 4.38Å; F429-F433 WeakPolarHBondContact O-CB 3.2Å; F429-F433 PolarHBondContact O-N 3.25Å |
| 430 | W | 94.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 54.8 Ų | 54.8 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | -178.3 | -75.2 | 112.1 | 0 | 0 | 0 | 112.8 | Y219 F239 N426 G427 K428 N432 F433 Y434 M444 | Y219-W430 HydrophobicContact CE2-CB 4.3Å; Y219-W430 WeakPolarHBondContact CE2-O 3.48Å; F239-W430 AromaticContact CD1-CD1 3.62Å; F239-W430 HydrophobicContact CD1-CD2 4.21Å; F239-W430 AromaticContact CD1-CE2 3.92Å; F239-W430 HydrophobicContact CD1-CG 4.04Å; F239-W430 AromaticContact CD1-NE1 3.55Å; F239-W430 HydrophobicContact CD2-CB 4.05Å; F239-W430 AromaticContact CD2-CG 3.98Å; F239-W430 HydrophobicContact CD2-CG 3.98Å; F239-W430 AromaticContact CE1-CD1 3.68Å; F239-W430 AromaticContact CE1-CD2 3.48Å; F239-W430 HydrophobicContact CE1-CD2 3.48Å; F239-W430 VanDerWaalsContact CE1-CD2 3.48Å; F239-W430 AromaticContact CE1-CE2 3.25Å; F239-W430 HydrophobicContact CE1-CE3 4.11Å; F239-W430 AromaticContact CE1-CG 3.76Å; F239-W430 HydrophobicContact CE1-CG 3.76Å; F239-W430 HydrophobicContact CE1-CH2 4.3Å; F239-W430 AromaticContact CE1-CZ2 3.7Å; F239-W430 HydrophobicContact CE1-CZ2 3.7Å; F239-W430 HydrophobicContact CE1-CZ3 4.48Å; F239-W430 AromaticContact CE1-NE1 3.4Å; F239-W430 HydrophobicContact CE2-CB 3.81Å; F239-W430 AromaticContact CE2-CD2 3.84Å; F239-W430 HydrophobicContact CE2-CD2 3.84Å; F239-W430 HydrophobicContact CE2-CE3 4.19Å; F239-W430 AromaticContact CE2-CG 3.66Å; F239-W430 HydrophobicContact CE2-CG 3.66Å; F239-W430 AromaticContact CG-CD1 3.85Å; F239-W430 HydrophobicContact CG-CG 4.13Å; F239-W430 HydrophobicContact CZ-CB 4.17Å; F239-W430 AromaticContact CZ-CD1 3.95Å; F239-W430 AromaticContact CZ-CD2 3.23Å; F239-W430 HydrophobicContact CZ-CD2 3.23Å; F239-W430 AromaticContact CZ-CE2 3.56Å; F239-W430 AromaticContact CZ-CE3 3.52Å; F239-W430 HydrophobicContact CZ-CE3 3.52Å; F239-W430 AromaticContact CZ-CG 3.54Å; F239-W430 HydrophobicContact CZ-CG 3.54Å; F239-W430 HydrophobicContact CZ-CH2 4.32Å; F239-W430 HydrophobicContact CZ-CZ2 4.1Å; F239-W430 HydrophobicContact CZ-CZ3 4.06Å; F239-W430 AromaticContact CZ-NE1 3.98Å; N426-W430 VanDerWaalsContact O-CD1 3.24Å; N426-W430 PolarHBondContact O-N 3.39Å; N426-W430 VanDerWaalsContact O-N 3.09Å; N426-W430 PolarHBondContact OD1-NE1 3.27Å; G427-W430 PolarHBondContact O-N 2.88Å; K428-W430 PolarHBondContact O-N 3.07Å; W430-N432 PolarHBondContact O-N 3.45Å; W430-F433 HydrophobicContact CE3-CB 4.24Å; W430-F433 HydrophobicContact CE3-CD1 4.16Å; W430-F433 HydrophobicContact CE3-CG 4.22Å; W430-F433 HydrophobicContact CZ3-CD1 4.1Å; W430-F433 HydrophobicContact CZ3-CE1 4.38Å; W430-F433 HydrophobicContact CZ3-CG 4.28Å; W430-F433 WeakPolarHBondContact O-CB 3.31Å; W430-F433 PolarHBondContact O-N 3.03Å; W430-F433 VanDerWaalsContact O-N 3.15Å; W430-Y434 PolarHBondContact O-N 2.79Å; W430-M444 HydrophobicContact CE3-CE 4.02Å; W430-M444 HydrophobicContact CH2-CE 4.31Å; W430-M444 HydrophobicContact CZ3-CE 3.64Å |
| 431 | I | 95.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 172.6 | -71.1 | 169 | 0 | 0 | 0 | 110.4 | L16 L20 L111 I113 G427 K428 F433 Y434 L435 | L16-I431 HydrophobicContact CD1-CD1 4.15Å; L16-I431 HydrophobicContact CD2-CD1 3.87Å; L16-I431 HydrophobicContact CG-CD1 4.35Å; L20-I431 HydrophobicContact CD1-CD1 3.98Å; L20-I431 HydrophobicContact CD1-CG2 4.31Å; L20-I431 HydrophobicContact CD2-CB 4.05Å; L20-I431 HydrophobicContact CD2-CD1 4.46Å; L20-I431 HydrophobicContact CD2-CG2 3.62Å; L111-I431 HydrophobicContact CD2-CG2 3.75Å; I113-I431 HydrophobicContact CD1-CD1 3.77Å; G427-I431 WeakPolarHBondContact O-CG1 3.24Å; G427-I431 PolarHBondContact O-N 3.37Å; K428-I431 PolarHBondContact O-N 3.38Å; I431-F433 VanDerWaalsContact C-N 3.27Å; I431-F433 PolarHBondContact O-N 3.2Å; I431-Y434 PolarHBondContact O-N 2.97Å; I431-L435 HydrophobicContact CG2-CD1 4.15Å; I431-L435 WeakPolarHBondContact O-CG 3.38Å; I431-L435 PolarHBondContact O-N 3.06Å |
| 432 | N | 96.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -33.8 | 176.4 | -66.9 | -19.5 | 0 | 0 | 0 | 112.4 | D23 H25 K428 F429 W430 L435 R436 | D23-N432 PolarHBondContact OD2-ND2 2.93Å; H25-N432 PolarHBondContact NE2-OD1 3.06Å; K428-N432 WeakPolarHBondContact O-CB 3.43Å; K428-N432 PolarHBondContact O-N 2.98Å; K428-N432 PolarHBondContact O-ND2 2.81Å; F429-N432 PolarHBondContact O-N 2.82Å; W430-N432 PolarHBondContact O-N 3.45Å; N432-L435 PolarHBondContact O-N 2.83Å; N432-R436 VanDerWaalsContact CB-NH1 3.26Å; N432-R436 WeakPolarHBondContact O-CG 3.42Å; N432-R436 PolarHBondContact O-N 3.47Å; N432-R436 PolarHBondContact O-NH1 2.89Å |
| 433 | F | 96.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 57 Ų | 57 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.4 | -176.7 | -86 | 0 | 0 | 0 | 111.2 | F429 W430 I431 R436 H437 | F429-F433 HydrophobicContact CZ-CD2 4.38Å; F429-F433 WeakPolarHBondContact O-CB 3.2Å; F429-F433 PolarHBondContact O-N 3.25Å; W430-F433 HydrophobicContact CE3-CB 4.24Å; W430-F433 HydrophobicContact CE3-CD1 4.16Å; W430-F433 HydrophobicContact CE3-CG 4.22Å; W430-F433 HydrophobicContact CZ3-CD1 4.1Å; W430-F433 HydrophobicContact CZ3-CE1 4.38Å; W430-F433 HydrophobicContact CZ3-CG 4.28Å; W430-F433 WeakPolarHBondContact O-CB 3.31Å; W430-F433 PolarHBondContact O-N 3.03Å; W430-F433 VanDerWaalsContact O-N 3.15Å; I431-F433 VanDerWaalsContact C-N 3.27Å; I431-F433 PolarHBondContact O-N 3.2Å; F433-R436 PolarHBondContact O-N 3.47Å; F433-H437 HydrophobicContact CE1-CB 4.5Å; F433-H437 AromaticContact CE2-CD2 3.8Å; F433-H437 AromaticContact CZ-CD2 3.94Å; F433-H437 PolarHBondContact O-N 3.44Å |
| 434 | Y | 96.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 58 Ų | 58 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.4 | 174.7 | -100.3 | 0 | 0 | 0 | 111.8 | L111 T133 V218 Y219 W430 I431 R436 H437 P438 A441 | L111-Y434 HydrophobicContact CD1-CD1 4.28Å; L111-Y434 HydrophobicContact CD1-CE1 4.14Å; T133-Y434 HydrophobicContact CG2-CE1 3.56Å; T133-Y434 WeakPolarHBondContact CG2-OH 3.05Å; V218-Y434 HydrophobicContact CB-CD2 4.37Å; V218-Y434 HydrophobicContact CB-CE2 4.29Å; V218-Y434 HydrophobicContact CG1-CD1 4.22Å; V218-Y434 HydrophobicContact CG1-CD2 3.23Å; V218-Y434 HydrophobicContact CG1-CE2 3.56Å; V218-Y434 HydrophobicContact CG1-CG 3.6Å; V218-Y434 HydrophobicContact CG2-CD2 4.19Å; V218-Y434 HydrophobicContact CG2-CE1 4.16Å; V218-Y434 HydrophobicContact CG2-CE2 3.64Å; Y219-Y434 HydrophobicContact CE2-CG 4.43Å; W430-Y434 PolarHBondContact O-N 2.79Å; I431-Y434 PolarHBondContact O-N 2.97Å; Y434-R436 PolarHBondContact O-N 3.17Å; Y434-H437 CarbonylContact O-C 3.52Å; Y434-H437 PolarHBondContact O-N 3.29Å; Y434-P438 HydrophobicContact CE2-CB 4.37Å; Y434-P438 VanDerWaalsContact CE2-O 3.24Å; Y434-P438 WeakPolarHBondContact CE2-O 3.48Å; Y434-P438 WeakPolarHBondContact O-CA 3.44Å; Y434-P438 WeakPolarHBondContact O-CD 3.31Å; Y434-A441 HydrophobicContact CD2-CB 4.28Å; Y434-A441 HydrophobicContact CE2-CB 3.96Å |
| 435 | L | 96 | Very high | 93.4 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | -179.9 | -67.1 | 173.4 | 0 | 0 | 0 | 112.5 | H25 L111 I431 N432 | H25-L435 VanDerWaalsContact CE1-CD1 3.47Å; H25-L435 WeakPolarHBondContact CE1-CD1 3.46Å; L111-L435 HydrophobicContact CB-CD2 4.3Å; I431-L435 HydrophobicContact CG2-CD1 4.15Å; I431-L435 WeakPolarHBondContact O-CG 3.38Å; I431-L435 PolarHBondContact O-N 3.06Å; N432-L435 PolarHBondContact O-N 2.83Å |
| 436 | R | 96.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 49% | 0.494 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -76.1 | -29.1 | 172.3 | -70.2 | -173.4 | -56.6 | -90.9 | -1.5 | 113.4 | N432 F433 Y434 | N432-R436 VanDerWaalsContact CB-NH1 3.26Å; N432-R436 WeakPolarHBondContact O-CG 3.42Å; N432-R436 PolarHBondContact O-N 3.47Å; N432-R436 PolarHBondContact O-NH1 2.89Å; F433-R436 PolarHBondContact O-N 3.47Å; Y434-R436 PolarHBondContact O-N 3.17Å |
| 437 | H | 96.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | trans | -136.7 | 71.7 | -174.1 | -52.4 | -61 | 0 | 0 | 0 | 111.7 | F433 Y434 S439 S440 | F433-H437 HydrophobicContact CE1-CB 4.5Å; F433-H437 AromaticContact CE2-CD2 3.8Å; F433-H437 AromaticContact CZ-CD2 3.94Å; F433-H437 PolarHBondContact O-N 3.44Å; Y434-H437 CarbonylContact O-C 3.52Å; Y434-H437 PolarHBondContact O-N 3.29Å; H437-S439 PolarHBondContact O-N 3.26Å; H437-S439 VanDerWaalsContact O-N 3.1Å; H437-S440 WeakPolarHBondContact O-CB 3.3Å; H437-S440 PolarHBondContact O-N 3.03Å; H437-S440 PolarHBondContact O-OG 3.07Å | ||
| 438 | P | 92.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.9 | -26 | -171.8 | -27.5 | 36.2 | 0 | 0 | 0 | 114.6 | Y434 S440 | Y434-P438 HydrophobicContact CE2-CB 4.37Å; Y434-P438 VanDerWaalsContact CE2-O 3.24Å; Y434-P438 WeakPolarHBondContact CE2-O 3.48Å; Y434-P438 WeakPolarHBondContact O-CA 3.44Å; Y434-P438 WeakPolarHBondContact O-CD 3.31Å; P438-S440 PolarHBondContact O-N 2.9Å |
| 439 | S | 92.4 | Very high | 92.4 | Very high | 83 Ų | 83 | 68 Ų | 68 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -74.9 | -7.4 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | H437 A441 | H437-S439 PolarHBondContact O-N 3.26Å; H437-S439 VanDerWaalsContact O-N 3.1Å; S439-A441 VanDerWaalsContact C-N 3.33Å; S439-A441 PolarHBondContact O-N 3.49Å |
| 440 | S | 92.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -66.8 | -32 | -177.9 | 66 | 0 | 0 | 0 | 0 | 113 | H437 P438 N442 R443 M444 | H437-S440 WeakPolarHBondContact O-CB 3.3Å; H437-S440 PolarHBondContact O-N 3.03Å; H437-S440 PolarHBondContact O-OG 3.07Å; P438-S440 PolarHBondContact O-N 2.9Å; S440-N442 VanDerWaalsContact C-N 3.29Å; S440-N442 PolarHBondContact O-N 3.49Å; S440-R443 WeakPolarHBondContact O-CA 3.43Å; S440-R443 WeakPolarHBondContact O-CB 3.32Å; S440-R443 PolarHBondContact O-N 3.04Å; S440-M444 WeakPolarHBondContact O-CG 3.34Å; S440-M444 PolarHBondContact O-N 2.95Å; S440-M444 VanDerWaalsContact O-N 3.16Å |
| 441 | A | 90.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.5 | -44.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V218 Y434 S439 R443 M444 R445 | V218-A441 HydrophobicContact CG1-CB 4.03Å; Y434-A441 HydrophobicContact CD2-CB 4.28Å; Y434-A441 HydrophobicContact CE2-CB 3.96Å; S439-A441 VanDerWaalsContact C-N 3.33Å; S439-A441 PolarHBondContact O-N 3.49Å; A441-R443 PolarHBondContact O-N 3.31Å; A441-M444 PolarHBondContact O-N 3.05Å; A441-R445 PolarHBondContact O-N 2.78Å; A441-R445 VanDerWaalsContact O-N 3.1Å |
| 442 | N | 89.2 | Confident | 91.1 | Very high | 127 Ų | 127 | 75.8 Ų | 75.8 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.8 | -21.6 | 179 | -69.6 | -21.8 | 0 | 0 | 0 | 113.4 | S440 | S440-N442 VanDerWaalsContact C-N 3.29Å; S440-N442 PolarHBondContact O-N 3.49Å |
| 443 | R | 91 | Very high | 90.5 | Very high | 219 Ų | 219 | 79.8 Ų | 79.8 | 83% | 0.826 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -87.6 | -22.1 | 177.4 | -62.4 | -176.2 | 176.8 | -89.3 | 0.6 | 112.7 | S440 A441 | S440-R443 WeakPolarHBondContact O-CA 3.43Å; S440-R443 WeakPolarHBondContact O-CB 3.32Å; S440-R443 PolarHBondContact O-N 3.04Å; A441-R443 PolarHBondContact O-N 3.31Å |
| 444 | M | 91.9 | Very high | 90 | Very high | 26 Ų | 26 | 82 Ų | 82 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -94.4 | -23.7 | -177.2 | -64.4 | 165.7 | 71 | 0 | 0 | 112.1 | Y219 A236 D237 F239 W430 S440 A441 L446 | Y219-M444 HydrophobicContact CD1-CE 4.47Å; Y219-M444 HydrophobicContact CE1-CE 3.61Å; Y219-M444 HydrophobicContact CE1-SD 3.88Å; A236-M444 HydrophobicContact CB-CB 3.97Å; A236-M444 HydrophobicContact CB-CE 4.38Å; A236-M444 HydrophobicContact CB-CG 4.18Å; A236-M444 WeakPolarHBondContact O-CE 3.42Å; D237-M444 HydrophobicContact CB-CB 4.02Å; F239-M444 HydrophobicContact CE2-CE 4.44Å; F239-M444 HydrophobicContact CZ-CE 3.7Å; W430-M444 HydrophobicContact CE3-CE 4.02Å; W430-M444 HydrophobicContact CH2-CE 4.31Å; W430-M444 HydrophobicContact CZ3-CE 3.64Å; S440-M444 WeakPolarHBondContact O-CG 3.34Å; S440-M444 PolarHBondContact O-N 2.95Å; S440-M444 VanDerWaalsContact O-N 3.16Å; A441-M444 PolarHBondContact O-N 3.05Å; M444-L446 PolarHBondContact O-N 2.78Å |
| 445 | R | 90.1 | Very high | 89.8 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -64 | 129.5 | 176.7 | -171.5 | 173.7 | -66.3 | 178.4 | 1 | 111.8 | T215 N216 G217 D237 A441 K447 | T215-R445 PolarHBondContact O-NE 3.43Å; T215-R445 PolarHBondContact O-NH1 2.91Å; T215-R445 PolarHBondContact O-NH2 2.91Å; N216-R445 VanDerWaalsContact C-NH2 3.28Å; N216-R445 PolarHBondContact O-NH2 2.9Å; G217-R445 PolarHBondContact O-NH2 3.19Å; D237-R445 WeakPolarHBondContact OD2-CA 3.41Å; A441-R445 PolarHBondContact O-N 2.78Å; A441-R445 VanDerWaalsContact O-N 3.1Å; R445-K447 PolarHBondContact O-N 3.12Å |
| 446 | L | 89.2 | Confident | 89.5 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 37% | 0.366 | 43% | 0.432 | S | S | . | . | trans | -65.7 | 124.6 | 171.8 | -73.7 | -171 | 0 | 0 | 0 | 110.9 | T235 M444 G448 T449 | T235-L446 HydrophobicContact CG2-CD1 3.25Å; T235-L446 HydrophobicContact CG2-CD2 4.05Å; T235-L446 HydrophobicContact CG2-CG 3.51Å; M444-L446 PolarHBondContact O-N 2.78Å; L446-G448 PolarHBondContact O-N 3.12Å; L446-T449 HydrophobicContact CB-CG2 4.09Å; L446-T449 PolarHBondContact O-N 2.7Å; L446-T449 PolarHBondContact O-OG1 3.18Å | ||
| 447 | K | 86.2 | Confident | 89.1 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -62.3 | -28.9 | 178.2 | -68 | -175.9 | 178.4 | -179.1 | 0 | 113.5 | R445 T449 M450 | R445-K447 PolarHBondContact O-N 3.12Å; K447-T449 PolarHBondContact O-N 3.48Å; K447-M450 HydrophobicContact CB-CE 4.25Å; K447-M450 HydrophobicContact CG-CE 4.3Å; K447-M450 PolarHBondContact O-N 2.89Å |
| 448 | G | 86.2 | Confident | 89 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -62.1 | -25.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L446 M450 L451 | L446-G448 PolarHBondContact O-N 3.12Å; G448-M450 PolarHBondContact O-N 2.84Å; G448-L451 WeakPolarHBondContact O-CB 3.13Å; G448-L451 PolarHBondContact O-N 2.93Å; G448-L451 VanDerWaalsContact O-N 3.11Å |
| 449 | T | 86.2 | Confident | 89.2 | Confident | 30 Ų | 30 | 83.3 Ų | 83.3 | 18% | 0.184 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -72.6 | -13.7 | 178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | F149 L446 K447 L451 | F149-T449 WeakPolarHBondContact O-CB 3.37Å; F149-T449 VanDerWaalsContact O-CG2 3.32Å; F149-T449 WeakPolarHBondContact O-CG2 3.29Å; L446-T449 HydrophobicContact CB-CG2 4.09Å; L446-T449 PolarHBondContact O-N 2.7Å; L446-T449 PolarHBondContact O-OG1 3.18Å; K447-T449 PolarHBondContact O-N 3.48Å; T449-L451 VanDerWaalsContact C-N 3.32Å |
| 450 | M | 83.6 | Confident | 89.3 | Confident | 133 Ų | 133 | 81.8 Ų | 81.8 | 66% | 0.655 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -86 | -6.1 | 173 | -56 | -172.2 | -63.4 | 0 | 0 | 112.7 | K447 G448 | K447-M450 HydrophobicContact CB-CE 4.25Å; K447-M450 HydrophobicContact CG-CE 4.3Å; K447-M450 PolarHBondContact O-N 2.89Å; G448-M450 PolarHBondContact O-N 2.84Å |
| 451 | L | 87.3 | Confident | 89.5 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -100.1 | 145.7 | -179.1 | -55.7 | 178 | 0 | 0 | 0 | 110 | G448 T449 T455 | G448-L451 WeakPolarHBondContact O-CB 3.13Å; G448-L451 PolarHBondContact O-N 2.93Å; G448-L451 VanDerWaalsContact O-N 3.11Å; T449-L451 VanDerWaalsContact C-N 3.32Å; L451-T455 HydrophobicContact CB-CG2 4.5Å; L451-T455 HydrophobicContact CD1-CG2 4.3Å; L451-T455 HydrophobicContact CD2-CG2 4.05Å |
| 452 | N | 86.5 | Confident | 89.8 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | trans | -70.9 | 161.4 | 166.5 | 67.1 | 60.3 | 0 | 0 | 0 | 110.2 | F454 T455 Y456 | N452-F454 PolarHBondContact O-N 3.22Å; N452-F454 VanDerWaalsContact O-N 3.12Å; N452-F454 WeakPolarHBondContact OD1-CA 3.4Å; N452-F454 VanDerWaalsContact OD1-CB 3.27Å; N452-F454 WeakPolarHBondContact OD1-CB 3.42Å; N452-F454 PolarHBondContact OD1-N 3.25Å; N452-T455 PolarHBondContact O-N 3.1Å; N452-T455 PolarHBondContact OD1-N 2.66Å; N452-T455 PolarHBondContact OD1-OG1 2.89Å; N452-Y456 WeakPolarHBondContact O-CB 3.26Å; N452-Y456 PolarHBondContact O-N 3.44Å | ||
| 453 | S | 82.5 | Confident | 90.1 | Very high | 100 Ų | 100 | 87 Ų | 87 | 70% | 0.699 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.8 | -26.2 | -177.1 | -52.6 | 0 | 0 | 0 | 0 | 114.4 | S457 | S453-S457 PolarHBondContact O-N 3.4Å; S453-S457 PolarHBondContact O-OG 2.95Å |
| 454 | F | 87.6 | Confident | 90.4 | Very high | 103 Ų | 103 | 81.4 Ų | 81.4 | 45% | 0.452 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.5 | -47.4 | 179 | -171.3 | -105.7 | 0 | 0 | 0 | 111.1 | N452 C458 Y459 D460 | N452-F454 PolarHBondContact O-N 3.22Å; N452-F454 VanDerWaalsContact O-N 3.12Å; N452-F454 WeakPolarHBondContact OD1-CA 3.4Å; N452-F454 VanDerWaalsContact OD1-CB 3.27Å; N452-F454 WeakPolarHBondContact OD1-CB 3.42Å; N452-F454 PolarHBondContact OD1-N 3.25Å; F454-C458 PolarHBondContact O-N 3.43Å; F454-Y459 VanDerWaalsContact CD2-CB 3.41Å; F454-Y459 HydrophobicContact CD2-CD2 4.17Å; F454-Y459 HydrophobicContact CD2-CG 4.26Å; F454-Y459 HydrophobicContact CE2-CG 4.48Å; F454-Y459 WeakPolarHBondContact O-CB 3.18Å; F454-Y459 PolarHBondContact O-N 3.07Å; F454-D460 HydrophobicContact CD1-CB 3.82Å; F454-D460 HydrophobicContact CE1-CB 3.5Å; F454-D460 VanDerWaalsContact CE1-N 3.3Å; F454-D460 HydrophobicContact CZ-CB 4.44Å |
| 455 | T | 92 | Very high | 90.7 | Very high | 44 Ų | 44 | 84.2 Ų | 84.2 | 27% | 0.27 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -74.9 | -37.5 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | L451 N452 S457 C458 D460 | L451-T455 HydrophobicContact CB-CG2 4.5Å; L451-T455 HydrophobicContact CD1-CG2 4.3Å; L451-T455 HydrophobicContact CD2-CG2 4.05Å; N452-T455 PolarHBondContact O-N 3.1Å; N452-T455 PolarHBondContact OD1-N 2.66Å; N452-T455 PolarHBondContact OD1-OG1 2.89Å; T455-S457 VanDerWaalsContact C-N 3.26Å; T455-S457 PolarHBondContact O-N 3.46Å; T455-C458 PolarHBondContact O-N 2.94Å; T455-D460 WeakPolarHBondContact CA-OD2 3.27Å; T455-D460 WeakPolarHBondContact CB-OD2 3.36Å; T455-D460 WeakPolarHBondContact CG2-OD2 3.27Å; T455-D460 PolarHBondContact OG1-OD2 3.26Å |
| 456 | Y | 88.2 | Confident | 91 | Very high | 133 Ų | 133 | 85.9 Ų | 85.9 | 52% | 0.522 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 177.6 | 177.4 | -94.5 | 0 | 0 | 0 | 112.3 | N452 C458 | N452-Y456 WeakPolarHBondContact O-CB 3.26Å; N452-Y456 PolarHBondContact O-N 3.44Å; Y456-C458 VanDerWaalsContact C-N 3.32Å |
| 457 | S | 89.3 | Confident | 91.4 | Very high | 46 Ų | 46 | 87.4 Ų | 87.4 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.8 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | S453 T455 Y459 | S453-S457 PolarHBondContact O-N 3.4Å; S453-S457 PolarHBondContact O-OG 2.95Å; T455-S457 VanDerWaalsContact C-N 3.26Å; T455-S457 PolarHBondContact O-N 3.46Å; S457-Y459 VanDerWaalsContact CB-CE2 3.48Å; S457-Y459 PolarHBondContact O-N 3.32Å |
| 458 | C | 93.8 | Very high | 91.9 | Very high | 60 Ų | 60 | 83.3 Ų | 83.3 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.5 | -175.3 | -58.8 | 0 | 0 | 0 | 0 | 114.4 | F454 T455 Y456 D460 V461 F462 | F454-C458 PolarHBondContact O-N 3.43Å; T455-C458 PolarHBondContact O-N 2.94Å; Y456-C458 VanDerWaalsContact C-N 3.32Å; C458-D460 VanDerWaalsContact C-OD1 3.26Å; C458-D460 WeakPolarHBondContact CA-OD1 3.27Å; C458-D460 PolarHBondContact O-N 3.34Å; C458-V461 HydrophobicContact CB-CB 4.19Å; C458-V461 HydrophobicContact CB-CG2 4.27Å; C458-V461 WeakPolarHBondContact O-CB 3.46Å; C458-V461 PolarHBondContact O-N 2.97Å; C458-F462 HydrophobicContact CB-CD2 4.36Å; C458-F462 HydrophobicContact CB-CE2 4.25Å; C458-F462 WeakPolarHBondContact O-CD2 3.42Å; C458-F462 PolarHBondContact O-N 3.49Å |
| 459 | Y | 95.9 | Very high | 92.4 | Very high | 126 Ų | 126 | 88.2 Ų | 88.2 | 49% | 0.494 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.6 | -28 | 178.4 | -67.4 | -44 | 0 | 0 | 0 | 111.9 | F454 S457 F462 T463 | F454-Y459 VanDerWaalsContact CD2-CB 3.41Å; F454-Y459 HydrophobicContact CD2-CD2 4.17Å; F454-Y459 HydrophobicContact CD2-CG 4.26Å; F454-Y459 HydrophobicContact CE2-CG 4.48Å; F454-Y459 WeakPolarHBondContact O-CB 3.18Å; F454-Y459 PolarHBondContact O-N 3.07Å; S457-Y459 VanDerWaalsContact CB-CE2 3.48Å; S457-Y459 PolarHBondContact O-N 3.32Å; Y459-F462 HydrophobicContact CD1-CD2 4.42Å; Y459-T463 VanDerWaalsContact O-CB 3.26Å; Y459-T463 WeakPolarHBondContact O-CB 3.47Å; Y459-T463 PolarHBondContact O-N 2.98Å; Y459-T463 PolarHBondContact O-OG1 3.04Å |
| 460 | D | 95.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 94.1 Ų | 94.1 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 167.2 | 44.4 | 10.2 | 0 | 0 | 0 | 112.3 | F454 T455 C458 T463 L464 | F454-D460 HydrophobicContact CD1-CB 3.82Å; F454-D460 HydrophobicContact CE1-CB 3.5Å; F454-D460 VanDerWaalsContact CE1-N 3.3Å; F454-D460 HydrophobicContact CZ-CB 4.44Å; T455-D460 WeakPolarHBondContact CA-OD2 3.27Å; T455-D460 WeakPolarHBondContact CB-OD2 3.36Å; T455-D460 WeakPolarHBondContact CG2-OD2 3.27Å; T455-D460 PolarHBondContact OG1-OD2 3.26Å; C458-D460 VanDerWaalsContact C-OD1 3.26Å; C458-D460 WeakPolarHBondContact CA-OD1 3.27Å; C458-D460 PolarHBondContact O-N 3.34Å; D460-T463 PolarHBondContact O-N 2.96Å; D460-L464 PolarHBondContact O-N 2.72Å; D460-L464 VanDerWaalsContact O-N 3.1Å |
| 461 | V | 96.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 90.3 Ų | 90.3 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | C458 T463 L464 L465 | C458-V461 HydrophobicContact CB-CB 4.19Å; C458-V461 HydrophobicContact CB-CG2 4.27Å; C458-V461 WeakPolarHBondContact O-CB 3.46Å; C458-V461 PolarHBondContact O-N 2.97Å; V461-T463 VanDerWaalsContact C-N 3.3Å; V461-T463 PolarHBondContact O-N 3.35Å; V461-L464 PolarHBondContact O-N 2.94Å; V461-L465 HydrophobicContact CG1-CD1 4.21Å; V461-L465 HydrophobicContact CG1-CG 4.47Å; V461-L465 WeakPolarHBondContact O-CG 3.49Å; V461-L465 PolarHBondContact O-N 3.43Å |
| 462 | F | 96.8 | Very high | 93.7 | Very high | 118 Ų | 118 | 91.2 Ų | 91.2 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.6 | -74.2 | -64.6 | 0 | 0 | 0 | 111.9 | C458 Y459 L464 L465 C466 | C458-F462 HydrophobicContact CB-CD2 4.36Å; C458-F462 HydrophobicContact CB-CE2 4.25Å; C458-F462 WeakPolarHBondContact O-CD2 3.42Å; C458-F462 PolarHBondContact O-N 3.49Å; Y459-F462 HydrophobicContact CD1-CD2 4.42Å; F462-L464 PolarHBondContact O-N 2.81Å; F462-L465 PolarHBondContact O-N 2.78Å; F462-C466 WeakPolarHBondContact O-CB 3.32Å; F462-C466 PolarHBondContact O-N 2.82Å; F462-C466 PolarHBondContact O-SG 3.39Å; F462-C466 VanDerWaalsContact O-SG 3.32Å |
| 463 | T | 96.7 | Very high | 94 | Very high | 68 Ų | 68 | 94.8 Ų | 94.8 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | Y459 D460 V461 C466 I467 | Y459-T463 VanDerWaalsContact O-CB 3.26Å; Y459-T463 WeakPolarHBondContact O-CB 3.47Å; Y459-T463 PolarHBondContact O-N 2.98Å; Y459-T463 PolarHBondContact O-OG1 3.04Å; D460-T463 PolarHBondContact O-N 2.96Å; V461-T463 VanDerWaalsContact C-N 3.3Å; V461-T463 PolarHBondContact O-N 3.35Å; T463-C466 PolarHBondContact O-N 2.76Å; T463-I467 HydrophobicContact CG2-CD1 4.07Å; T463-I467 VanDerWaalsContact O-CG1 3.27Å; T463-I467 WeakPolarHBondContact O-CG1 3.47Å; T463-I467 PolarHBondContact O-N 2.76Å; T463-I467 VanDerWaalsContact O-N 3.07Å |
| 464 | L | 96.9 | Very high | 94.4 | Very high | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.9 | 179.6 | 63.6 | 0 | 0 | 0 | 112.4 | D460 V461 F462 C466 I467 L468 | D460-L464 PolarHBondContact O-N 2.72Å; D460-L464 VanDerWaalsContact O-N 3.1Å; V461-L464 PolarHBondContact O-N 2.94Å; F462-L464 PolarHBondContact O-N 2.81Å; L464-C466 VanDerWaalsContact C-N 3.34Å; L464-C466 PolarHBondContact O-N 2.69Å; L464-I467 PolarHBondContact O-N 2.71Å; L464-L468 HydrophobicContact CD1-CD1 4.45Å; L464-L468 HydrophobicContact CD1-CG 4.44Å; L464-L468 HydrophobicContact CG-CD1 4.23Å; L464-L468 WeakPolarHBondContact O-CG 3.35Å; L464-L468 PolarHBondContact O-N 3.26Å |
| 465 | L | 97.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 91 Ų | 91 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 178.4 | -69.9 | 174.3 | 0 | 0 | 0 | 112 | V461 F462 L468 L469 | V461-L465 HydrophobicContact CG1-CD1 4.21Å; V461-L465 HydrophobicContact CG1-CG 4.47Å; V461-L465 WeakPolarHBondContact O-CG 3.49Å; V461-L465 PolarHBondContact O-N 3.43Å; F462-L465 PolarHBondContact O-N 2.78Å; L465-L468 PolarHBondContact O-N 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.4Å; L465-L469 WeakPolarHBondContact O-CG 3.38Å; L465-L469 PolarHBondContact O-N 3.33Å |
| 466 | C | 97.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 95 Ų | 95 | 57% | 0.568 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 174.7 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | F462 T463 L464 F470 | F462-C466 WeakPolarHBondContact O-CB 3.32Å; F462-C466 PolarHBondContact O-N 2.82Å; F462-C466 PolarHBondContact O-SG 3.39Å; F462-C466 VanDerWaalsContact O-SG 3.32Å; T463-C466 PolarHBondContact O-N 2.76Å; L464-C466 VanDerWaalsContact C-N 3.34Å; L464-C466 PolarHBondContact O-N 2.69Å; C466-F470 WeakPolarHBondContact O-CB 3.29Å; C466-F470 PolarHBondContact O-N 2.76Å |
| 467 | I | 97.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.8 | -68.3 | 164.9 | 0 | 0 | 0 | 110.5 | T463 L464 F470 S471 | T463-I467 HydrophobicContact CG2-CD1 4.07Å; T463-I467 VanDerWaalsContact O-CG1 3.27Å; T463-I467 WeakPolarHBondContact O-CG1 3.47Å; T463-I467 PolarHBondContact O-N 2.76Å; T463-I467 VanDerWaalsContact O-N 3.07Å; L464-I467 PolarHBondContact O-N 2.71Å; I467-F470 PolarHBondContact O-N 2.96Å; I467-S471 WeakPolarHBondContact O-CB 3.46Å; I467-S471 PolarHBondContact O-N 2.91Å; I467-S471 PolarHBondContact O-OG 3.42Å |
| 468 | L | 97 | Very high | 94 | Very high | 86 Ų | 86 | 98.8 Ų | 98.8 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 179.2 | -71 | 173 | 0 | 0 | 0 | 112 | L464 L465 F470 S471 L472 | L464-L468 HydrophobicContact CD1-CD1 4.45Å; L464-L468 HydrophobicContact CD1-CG 4.44Å; L464-L468 HydrophobicContact CG-CD1 4.23Å; L464-L468 WeakPolarHBondContact O-CG 3.35Å; L464-L468 PolarHBondContact O-N 3.26Å; L465-L468 PolarHBondContact O-N 3.29Å; L468-F470 VanDerWaalsContact C-N 3.33Å; L468-F470 PolarHBondContact O-N 3.12Å; L468-S471 WeakPolarHBondContact CA-OG 3.48Å; L468-S471 PolarHBondContact O-N 3.01Å; L468-S471 PolarHBondContact O-OG 2.99Å; L468-L472 PolarHBondContact O-N 3.18Å |
| 469 | L | 96.1 | Very high | 94 | Very high | 125 Ų | 125 | 100.8 Ų | 100.8 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 176.9 | -72.4 | 171.2 | 0 | 0 | 0 | 112.4 | L465 R473 | L465-L469 WeakPolarHBondContact O-CB 3.4Å; L465-L469 WeakPolarHBondContact O-CG 3.38Å; L465-L469 PolarHBondContact O-N 3.33Å; L469-R473 WeakPolarHBondContact O-CB 3.31Å; L469-R473 PolarHBondContact O-N 3.3Å |
| 470 | F | 95.7 | Very high | 93.9 | Very high | 154 Ų | 154 | 99.4 Ų | 99.4 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 175.8 | -171.5 | -93.8 | 0 | 0 | 0 | 111.5 | C466 I467 L468 L472 R473 S474 | C466-F470 WeakPolarHBondContact O-CB 3.29Å; C466-F470 PolarHBondContact O-N 2.76Å; I467-F470 PolarHBondContact O-N 2.96Å; L468-F470 VanDerWaalsContact C-N 3.33Å; L468-F470 PolarHBondContact O-N 3.12Å; F470-L472 PolarHBondContact O-N 3.3Å; F470-R473 PolarHBondContact O-N 2.96Å; F470-S474 PolarHBondContact O-N 3.29Å; F470-S474 PolarHBondContact O-OG 3.39Å |
| 471 | S | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 102.1 Ų | 102.1 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -39.3 | 177.5 | 70.6 | 0 | 0 | 0 | 0 | 113 | I467 L468 S474 A475 | I467-S471 WeakPolarHBondContact O-CB 3.46Å; I467-S471 PolarHBondContact O-N 2.91Å; I467-S471 PolarHBondContact O-OG 3.42Å; L468-S471 WeakPolarHBondContact CA-OG 3.48Å; L468-S471 PolarHBondContact O-N 3.01Å; L468-S471 PolarHBondContact O-OG 2.99Å; S471-S474 WeakPolarHBondContact CA-OG 3.25Å; S471-S474 PolarHBondContact O-N 3.48Å; S471-S474 PolarHBondContact O-OG 2.77Å; S471-A475 WeakPolarHBondContact O-CB 3.43Å; S471-A475 PolarHBondContact O-N 3.03Å |
| 472 | L | 94.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -42.6 | 175.3 | -114.2 | 124.1 | 0 | 0 | 0 | 111.3 | L468 F470 A475 I476 | L468-L472 PolarHBondContact O-N 3.18Å; F470-L472 PolarHBondContact O-N 3.3Å; L472-A475 PolarHBondContact O-N 3.02Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.36Å; L472-I476 PolarHBondContact O-N 3.26Å |
| 473 | R | 93.1 | Very high | 93.5 | Very high | 171 Ų | 171 | 102.9 Ų | 102.9 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62 | -46.6 | 175.7 | -178.2 | 176.4 | 178.1 | 174 | 1.9 | 111.6 | L469 F470 A475 I476 D477 | L469-R473 WeakPolarHBondContact O-CB 3.31Å; L469-R473 PolarHBondContact O-N 3.3Å; F470-R473 PolarHBondContact O-N 2.96Å; R473-A475 PolarHBondContact O-N 3.28Å; R473-I476 PolarHBondContact O-N 2.97Å; R473-I476 VanDerWaalsContact O-N 3.12Å; R473-D477 IonicContact NE-OD2 2.67Å; R473-D477 PolarHBondContact O-N 3.12Å |
| 474 | S | 90.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 105.3 Ų | 105.3 | 43% | 0.434 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -31 | 176.9 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | F470 S471 S478 | F470-S474 PolarHBondContact O-N 3.29Å; F470-S474 PolarHBondContact O-OG 3.39Å; S471-S474 WeakPolarHBondContact CA-OG 3.25Å; S471-S474 PolarHBondContact O-N 3.48Å; S471-S474 PolarHBondContact O-OG 2.77Å; S474-S478 WeakPolarHBondContact O-CB 3.45Å; S474-S478 PolarHBondContact O-N 3.29Å; S474-S478 PolarHBondContact O-OG 3.23Å |
| 475 | A | 90.3 | Very high | 93 | Very high | 63 Ų | 63 | 105.6 Ų | 105.6 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.8 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S471 L472 R473 S478 | S471-A475 WeakPolarHBondContact O-CB 3.43Å; S471-A475 PolarHBondContact O-N 3.03Å; L472-A475 PolarHBondContact O-N 3.02Å; R473-A475 PolarHBondContact O-N 3.28Å; A475-S478 PolarHBondContact O-OG 3.18Å |
| 476 | I | 90.5 | Very high | 92.6 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 65% | 0.646 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.6 | -35.5 | 173.1 | -68.9 | 165.1 | 0 | 0 | 0 | 110.7 | L472 R473 | L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.36Å; L472-I476 PolarHBondContact O-N 3.26Å; R473-I476 PolarHBondContact O-N 2.97Å; R473-I476 VanDerWaalsContact O-N 3.12Å |
| 477 | D | 86.9 | Confident | 92.3 | Very high | 119 Ų | 119 | 109.1 Ų | 109.1 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77.5 | -19.1 | -179.9 | -70.3 | -21.8 | 0 | 0 | 0 | 112.9 | R473 | R473-D477 IonicContact NE-OD2 2.67Å; R473-D477 PolarHBondContact O-N 3.12Å |
| 478 | S | 81 | Confident | 91.8 | Very high | 141 Ų | 141 | 109.6 Ų | 109.6 | 99% | 0.986 | 60% | 0.598 | S | S | * | * | trans | -88.3 | 0 | 173.8 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | S474 A475 | S474-S478 WeakPolarHBondContact O-CB 3.45Å; S474-S478 PolarHBondContact O-N 3.29Å; S474-S478 PolarHBondContact O-OG 3.23Å; A475-S478 PolarHBondContact O-OG 3.18Å |
Retrieved 478 of 478 residues in 521.9 ms
(Link to these results)