| 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 | 88.2 | Confident | 95.3 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | 0 | 154 | 0 | -75.1 | -175 | -92.8 | 0 | 0 | 107.9 | R27 G28 R143 D406 T409 A410 L414 E415 L416 | M1-R27 CarbonylContact C-O 3.6Å; M1-R27 PolarHBondContact N-O 3.42Å; M1-R27 CarbonylContact O-C 3.6Å; M1-R27 VanDerWaalsContact O-CA 3.32Å; M1-R27 WeakPolarHBondContact O-CA 3.28Å; M1-R27 WeakPolarHBondContact O-CB 3.43Å; M1-G28 PolarHBondContact O-N 3.15Å; M1-R143 PolarHBondContact SD-NH1 3.48Å; M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.93Å; M1-D406 WeakPolarHBondContact CE-O 3.26Å; M1-D406 WeakPolarHBondContact CE-OD2 3Å; M1-T409 WeakPolarHBondContact CE-OG1 3.45Å; M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.77Å; M1-L414 WeakPolarHBondContact CG-O 3.06Å; M1-L414 PolarHBondContact N-O 2.98Å; M1-E415 HydrophobicContact CG-CB 4.1Å; M1-E415 HydrophobicContact CG-CG 4.06Å; M1-L416 HydrophobicContact CE-CB 3.91Å; M1-L416 HydrophobicContact SD-CB 4.29Å | |||
| 2 | C | 98.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 13.8 Ų | 13.8 | 10% | 0.101 | 8% | 0.076 | C | C | . | . | trans | -70.5 | 160.8 | -180 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | R27 F47 H48 L50 N75 | C2-R27 PolarHBondContact O-NE 2.88Å; C2-F47 HydrophobicContact CB-CE1 4.41Å; C2-F47 HydrophobicContact CB-CE2 3.58Å; C2-F47 HydrophobicContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact SG-CZ 3.54Å; C2-H48 CarbonylContact C-O 3.52Å; C2-H48 WeakPolarHBondContact CA-O 3.3Å; C2-H48 WeakPolarHBondContact CB-O 3.23Å; C2-L50 PolarHBondContact SG-N 2.98Å; C2-L50 PolarHBondContact SG-O 2.93Å; C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3Å; C2-N75 PolarHBondContact O-ND2 3.47Å; C2-N75 PolarHBondContact O-OD1 3.47Å | ||
| 3 | G | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F47 H48 | G3-F47 WeakPolarHBondContact O-CA 3.37Å; G3-F47 WeakPolarHBondContact O-CD2 3.38Å; G3-H48 PolarHBondContact N-O 3.06Å; G3-H48 PolarHBondContact O-N 2.58Å |
| 4 | I | 98.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138.5 | 172.2 | 58.1 | 162 | 0 | 0 | 0 | 110.1 | I24 F47 C73 N75 A122 L145 C158 S159 | I4-I24 WeakPolarHBondContact O-CD1 3.38Å; I4-F47 HydrophobicContact CG2-CD2 3.77Å; I4-F47 HydrophobicContact CG2-CE2 3.72Å; I4-C73 HydrophobicContact CB-CB 4.49Å; I4-C73 HydrophobicContact CG2-CB 4Å; I4-N75 HydrophobicContact CG2-CB 4.26Å; I4-A122 HydrophobicContact CD1-CB 4.35Å; I4-L145 HydrophobicContact CD1-CD1 3.64Å; I4-L145 HydrophobicContact CG1-CD1 4.4Å; I4-C158 CarbonylContact O-C 3.49Å; I4-C158 VanDerWaalsContact O-CA 3.25Å; I4-C158 WeakPolarHBondContact O-CA 3.36Å; I4-S159 VanDerWaalsContact CG1-OG 3.22Å; I4-S159 WeakPolarHBondContact CG1-OG 3.34Å; I4-S159 PolarHBondContact N-OG 2.82Å; I4-S159 PolarHBondContact O-N 3.37Å |
| 5 | W | 98.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.1 | 171.4 | 179.8 | 97.4 | 0 | 0 | 0 | 108.4 | L7 Q17 A21 I24 F34 C44 G46 V157 G163 L167 | W5-L7 HydrophobicContact CH2-CB 4.43Å; W5-L7 HydrophobicContact CH2-CD1 3.24Å; W5-L7 HydrophobicContact CH2-CD2 4.13Å; W5-L7 HydrophobicContact CH2-CG 3.3Å; W5-L7 HydrophobicContact CZ2-CD1 3.45Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.45Å; W5-L7 HydrophobicContact CZ2-CD2 3.73Å; W5-L7 HydrophobicContact CZ2-CG 3.43Å; W5-L7 VanDerWaalsContact CZ2-CG 3.43Å; W5-L7 HydrophobicContact CZ3-CD1 4.21Å; W5-L7 HydrophobicContact CZ3-CG 3.88Å; W5-Q17 HydrophobicContact CH2-CB 3.97Å; W5-Q17 HydrophobicContact CZ2-CB 4.31Å; W5-A21 HydrophobicContact CB-CB 4.4Å; W5-A21 HydrophobicContact CD2-CB 3.84Å; W5-A21 HydrophobicContact CE3-CB 3.88Å; W5-A21 HydrophobicContact CG-CB 4.1Å; W5-A21 HydrophobicContact CZ3-CB 4.35Å; W5-I24 HydrophobicContact CB-CD1 4.08Å; W5-F34 HydrophobicContact CH2-CE2 4.22Å; W5-F34 HydrophobicContact CZ3-CD2 4.43Å; W5-F34 AromaticContact CZ3-CE2 3.7Å; W5-F34 HydrophobicContact CZ3-CE2 3.7Å; W5-C44 VanDerWaalsContact CZ3-SG 3.53Å; W5-G46 PolarHBondContact N-O 3.19Å; W5-G46 PolarHBondContact O-N 2.92Å; W5-V157 CarbonylContact C-O 3.54Å; W5-V157 WeakPolarHBondContact CA-O 3.38Å; W5-G163 PolarHBondContact NE1-O 3.41Å; W5-L167 HydrophobicContact CZ2-CD2 4.2Å |
| 6 | A | 98.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F8 C44 F45 V124 A156 V157 | A6-F8 HydrophobicContact CB-CE2 4.06Å; A6-C44 CarbonylContact C-O 3.58Å; A6-C44 VanDerWaalsContact CA-O 3.24Å; A6-C44 WeakPolarHBondContact CA-O 3.31Å; A6-F45 HydrophobicContact CB-CD1 3.59Å; A6-F45 HydrophobicContact CB-CE1 3.87Å; A6-F45 HydrophobicContact CB-CG 4.33Å; A6-V124 HydrophobicContact CB-CG1 4.1Å; A6-A156 WeakPolarHBondContact O-CA 3.33Å; A6-V157 HydrophobicContact CB-CG2 3.79Å; A6-V157 PolarHBondContact N-O 3.11Å; A6-V157 PolarHBondContact O-N 3.02Å |
| 7 | L | 97.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.8 | 173.8 | -57.9 | -177.1 | 0 | 0 | 0 | 110.5 | W5 Q17 C43 C44 F154 L155 A156 L167 | W5-L7 HydrophobicContact CH2-CB 4.43Å; W5-L7 HydrophobicContact CH2-CD1 3.24Å; W5-L7 HydrophobicContact CH2-CD2 4.13Å; W5-L7 HydrophobicContact CH2-CG 3.3Å; W5-L7 HydrophobicContact CZ2-CD1 3.45Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.45Å; W5-L7 HydrophobicContact CZ2-CD2 3.73Å; W5-L7 HydrophobicContact CZ2-CG 3.43Å; W5-L7 VanDerWaalsContact CZ2-CG 3.43Å; W5-L7 HydrophobicContact CZ3-CD1 4.21Å; W5-L7 HydrophobicContact CZ3-CG 3.88Å; L7-Q17 HydrophobicContact CD1-CB 3.97Å; L7-Q17 HydrophobicContact CD1-CG 4.13Å; L7-C43 CarbonylContact O-C 3.6Å; L7-C43 WeakPolarHBondContact O-CA 3.2Å; L7-C44 PolarHBondContact N-O 3.3Å; L7-C44 PolarHBondContact O-N 2.92Å; L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.32Å; L7-F154 HydrophobicContact CD2-CE2 3.94Å; L7-F154 HydrophobicContact CD2-CZ 3.83Å; L7-F154 HydrophobicContact CG-CE2 4.42Å; L7-L155 CarbonylContact C-O 3.49Å; L7-L155 WeakPolarHBondContact CA-O 2.94Å; L7-A156 HydrophobicContact CD2-CB 3.33Å; L7-L167 HydrophobicContact CD2-CD1 3.85Å |
| 8 | F | 98 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.4 | 170.2 | -57.5 | -94.3 | 0 | 0 | 0 | 109.2 | A6 C43 F45 V124 L126 V133 F154 L155 G194 V196 | A6-F8 HydrophobicContact CB-CE2 4.06Å; F8-C43 HydrophobicContact CD1-CB 3.99Å; F8-F45 HydrophobicContact CE1-CZ 4.21Å; F8-F45 HydrophobicContact CZ-CE1 4.13Å; F8-F45 AromaticContact CZ-CZ 3.83Å; F8-F45 HydrophobicContact CZ-CZ 3.83Å; F8-V124 HydrophobicContact CE2-CG2 3.85Å; F8-V124 HydrophobicContact CZ-CG2 3.77Å; F8-L126 HydrophobicContact CE1-CB 4.21Å; F8-L126 HydrophobicContact CE1-CD1 4.2Å; F8-L126 HydrophobicContact CE1-CD2 4.24Å; F8-L126 HydrophobicContact CE1-CG 4.45Å; F8-V133 HydrophobicContact CD1-CG2 3.66Å; F8-V133 HydrophobicContact CD2-CG1 4.37Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.05Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.82Å; F8-V133 HydrophobicContact CG-CG2 4.28Å; F8-V133 HydrophobicContact CZ-CG1 3.64Å; F8-V133 HydrophobicContact CZ-CG2 3.99Å; F8-F154 WeakPolarHBondContact O-CD2 3.35Å; F8-L155 HydrophobicContact CB-CB 4.3Å; F8-L155 HydrophobicContact CD2-CB 4.39Å; F8-L155 HydrophobicContact CD2-CD2 3.79Å; F8-L155 HydrophobicContact CD2-CG 4.18Å; F8-L155 HydrophobicContact CE2-CD2 4.3Å; F8-L155 PolarHBondContact N-O 3Å; F8-L155 PolarHBondContact O-N 3.13Å; F8-G194 CarbonylContact C-O 3.39Å; F8-V196 HydrophobicContact CB-CG1 3.79Å; F8-V196 HydrophobicContact CG-CG1 4.25Å |
| 9 | G | 95.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 71.8 | 38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N42 G194 K195 | G9-N42 PolarHBondContact N-O 2.67Å; G9-G194 WeakPolarHBondContact CA-O 3.46Å; G9-G194 PolarHBondContact N-O 3.28Å; G9-K195 WeakPolarHBondContact O-CD 3.49Å; G9-K195 WeakPolarHBondContact O-CE 3.24Å; G9-K195 PolarHBondContact O-NZ 3.29Å |
| 10 | S | 92.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | trans | -64.4 | 142.6 | 174 | 178 | 0 | 0 | 0 | 0 | 112.2 | D12 Q17 N42 | S10-D12 PolarHBondContact OG-N 3.4Å; S10-Q17 PolarHBondContact OG-NE2 3.5Å; S10-Q17 PolarHBondContact OG-OE1 3.49Å; S10-N42 VanDerWaalsContact CB-O 3.31Å; S10-N42 WeakPolarHBondContact CB-O 3.31Å; S10-N42 PolarHBondContact N-O 2.9Å; S10-N42 VanDerWaalsContact O-CB 3.29Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å | ||
| 11 | D | 82.7 | Confident | 87 | Confident | 76 Ų | 76 | 29.8 Ų | 29.8 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | trans | -90.4 | -14.3 | 172.7 | -62.3 | -14.9 | 0 | 0 | 0 | 112.4 | H169 K195 | D11-H169 IonicContact OD1-CE1 3.94Å; D11-H169 IonicContact OD2-CE1 2.73Å; D11-H169 PolarHBondContact OD2-CE1 2.94Å; D11-H169 IonicContact OD2-ND1 3.84Å; D11-H169 PolarHBondContact OD2-ND1 3.47Å; D11-H169 IonicContact OD2-NE2 2.68Å; D11-K195 IonicContact OD1-NZ 3.88Å; D11-K195 PolarHBondContact OD1-NZ 2.76Å; D11-K195 IonicContact OD2-NZ 3.12Å | ||
| 12 | D | 69.5 | Low | 87.4 | Confident | 67 Ų | 67 | 33.4 Ų | 33.4 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -102.2 | 159.7 | -164.6 | -103.1 | -16.4 | 0 | 0 | 0 | 113.3 | S10 L14 Q17 | S10-D12 PolarHBondContact OG-N 3.4Å; D12-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact O-N 3.14Å; D12-Q17 HydrophobicContact CB-CG 4.19Å |
| 13 | C | 63.3 | Low | 87.4 | Confident | 84 Ų | 84 | 37.8 Ų | 37.8 | 57% | 0.568 | 21% | 0.213 | S | C | * | . | trans | -58.3 | 118.8 | 168 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | S15 V16 | C13-S15 PolarHBondContact O-N 3.11Å; C13-V16 HydrophobicContact CB-CG2 4.34Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.03Å | ||
| 14 | L | 71.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.7 | -29.7 | -179.4 | -69.8 | 178.6 | 0 | 0 | 0 | 113.8 | D12 V16 Q17 C18 F34 N36 T41 C44 | D12-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact O-N 3.14Å; L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 3.4Å; L14-Q17 PolarHBondContact O-N 2.98Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; L14-C18 PolarHBondContact O-N 2.71Å; L14-F34 HydrophobicContact CB-CE1 4.18Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; L14-F34 HydrophobicContact CD2-CZ 4.39Å; L14-N36 HydrophobicContact CD1-CB 3.5Å; L14-N36 VanDerWaalsContact CD1-CB 3.5Å; L14-T41 VanDerWaalsContact CD1-O 3.24Å; L14-T41 WeakPolarHBondContact CD1-O 3.24Å; L14-C44 HydrophobicContact CD2-CB 3.85Å; L14-C44 VanDerWaalsContact CD2-SG 3.53Å |
| 15 | S | 70 | Confident | 87.4 | Confident | 90 Ų | 90 | 39.5 Ų | 39.5 | 63% | 0.629 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.1 | -34.9 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 113 | C13 Q17 | C13-S15 PolarHBondContact O-N 3.11Å; S15-Q17 VanDerWaalsContact C-N 3.33Å |
| 16 | V | 74.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 42 Ų | 42 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.6 | -35.6 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 110 | C13 L14 | C13-V16 HydrophobicContact CB-CG2 4.34Å; C13-V16 WeakPolarHBondContact O-CB 3.44Å; C13-V16 PolarHBondContact O-N 3.03Å; L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 3.4Å |
| 17 | Q | 78.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -81.8 | -23.6 | -175.7 | -60.8 | -178 | -38.7 | 0 | 0 | 113.1 | W5 L7 S10 D12 L14 S15 L19 S20 A21 | W5-Q17 HydrophobicContact CH2-CB 3.97Å; W5-Q17 HydrophobicContact CZ2-CB 4.31Å; L7-Q17 HydrophobicContact CD1-CB 3.97Å; L7-Q17 HydrophobicContact CD1-CG 4.13Å; S10-Q17 PolarHBondContact OG-NE2 3.5Å; S10-Q17 PolarHBondContact OG-OE1 3.49Å; D12-Q17 HydrophobicContact CB-CG 4.19Å; L14-Q17 PolarHBondContact O-N 2.98Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; S15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.88Å; Q17-S20 VanDerWaalsContact O-CB 3.28Å; Q17-S20 WeakPolarHBondContact O-CB 3.31Å; Q17-S20 PolarHBondContact O-N 2.94Å; Q17-A21 PolarHBondContact O-N 3.18Å |
| 18 | C | 81.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.8 | -35.3 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L14 S20 A21 M22 F34 | L14-C18 PolarHBondContact O-N 2.71Å; C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.75Å; C18-A21 WeakPolarHBondContact O-CB 3.31Å; C18-A21 PolarHBondContact O-N 2.98Å; C18-M22 PolarHBondContact O-N 2.67Å; C18-F34 HydrophobicContact CB-CD2 4.33Å; C18-F34 HydrophobicContact CB-CE2 4.15Å; C18-F34 HydrophobicContact CB-CZ 4.29Å |
| 19 | L | 87.6 | Confident | 87.4 | Confident | 125 Ų | 125 | 44.5 Ų | 44.5 | 65% | 0.654 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64 | -30.7 | 175.4 | -65.3 | 175.1 | 0 | 0 | 0 | 113 | Q17 M22 | Q17-L19 PolarHBondContact O-N 2.88Å; L19-M22 PolarHBondContact O-N 3.12Å |
| 20 | S | 90.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 175.7 | -154.5 | 0 | 0 | 0 | 0 | 111.2 | Q17 C18 M22 K23 G163 L167 | Q17-S20 VanDerWaalsContact O-CB 3.28Å; Q17-S20 WeakPolarHBondContact O-CB 3.31Å; Q17-S20 PolarHBondContact O-N 2.94Å; C18-S20 VanDerWaalsContact C-N 3.27Å; C18-S20 PolarHBondContact O-N 2.75Å; S20-M22 PolarHBondContact O-N 2.68Å; S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å; S20-K23 PolarHBondContact O-N 3.23Å; S20-K23 VanDerWaalsContact O-N 3.15Å; S20-G163 PolarHBondContact OG-O 3.03Å; S20-L167 WeakPolarHBondContact OG-CD2 3.42Å |
| 21 | A | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -28 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W5 Q17 C18 K23 I24 F32 H48 | W5-A21 HydrophobicContact CB-CB 4.4Å; W5-A21 HydrophobicContact CD2-CB 3.84Å; W5-A21 HydrophobicContact CE3-CB 3.88Å; W5-A21 HydrophobicContact CG-CB 4.1Å; W5-A21 HydrophobicContact CZ3-CB 4.35Å; Q17-A21 PolarHBondContact O-N 3.18Å; C18-A21 WeakPolarHBondContact O-CB 3.31Å; C18-A21 PolarHBondContact O-N 2.98Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.93Å; A21-I24 WeakPolarHBondContact O-CG1 3.41Å; A21-F32 HydrophobicContact CB-CE2 4.26Å; A21-F32 HydrophobicContact CB-CZ 4.27Å; A21-H48 PolarHBondContact O-CD2 2.85Å; A21-H48 PolarHBondContact O-NE2 3.19Å |
| 22 | M | 96.9 | Very high | 88.6 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -70.5 | -16.1 | 178.8 | -59.3 | -59.4 | 171.3 | 0 | 0 | 114.2 | C18 L19 S20 I24 A25 F32 | C18-M22 PolarHBondContact O-N 2.67Å; L19-M22 PolarHBondContact O-N 3.12Å; S20-M22 PolarHBondContact O-N 2.68Å; M22-I24 PolarHBondContact O-N 2.83Å; M22-I24 VanDerWaalsContact O-N 3.11Å; M22-A25 WeakPolarHBondContact O-CB 3.29Å; M22-A25 PolarHBondContact O-N 3.15Å; M22-F32 HydrophobicContact CE-CD1 3.61Å; M22-F32 HydrophobicContact CE-CE1 3.11Å; M22-F32 HydrophobicContact CE-CE2 4.27Å; M22-F32 HydrophobicContact CE-CG 4.36Å; M22-F32 HydrophobicContact CE-CZ 3.47Å; M22-F32 VanDerWaalsContact CE-CZ 3.47Å; M22-F32 HydrophobicContact SD-CD1 4.34Å; M22-F32 HydrophobicContact SD-CE1 4.15Å; M22-F32 HydrophobicContact SD-CE2 4.41Å; M22-F32 HydrophobicContact SD-CZ 4.15Å |
| 23 | K | 97.3 | Very high | 89.9 | Confident | 107 Ų | 107 | 50.7 Ų | 50.7 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -65.7 | -13.7 | -177.8 | -66.1 | -66.4 | -173.2 | 177.9 | 0 | 114.3 | S20 A21 H26 | S20-K23 WeakPolarHBondContact O-CB 3.44Å; S20-K23 WeakPolarHBondContact O-CG 3.41Å; S20-K23 PolarHBondContact O-N 3.23Å; S20-K23 VanDerWaalsContact O-N 3.15Å; A21-K23 VanDerWaalsContact C-N 3.25Å; A21-K23 PolarHBondContact O-N 2.93Å; K23-H26 PolarHBondContact O-CE1 3.23Å |
| 24 | I | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -115.6 | 16.7 | 179.7 | 61.4 | 166.5 | 0 | 0 | 0 | 113.2 | I4 W5 A21 M22 H26 R27 E160 K162 | I4-I24 WeakPolarHBondContact O-CD1 3.38Å; W5-I24 HydrophobicContact CB-CD1 4.08Å; A21-I24 WeakPolarHBondContact O-CG1 3.41Å; M22-I24 PolarHBondContact O-N 2.83Å; M22-I24 VanDerWaalsContact O-N 3.11Å; I24-H26 PolarHBondContact O-N 2.93Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 WeakPolarHBondContact O-CG 3.34Å; I24-R27 PolarHBondContact O-N 2.83Å; I24-E160 HydrophobicContact CG2-CB 3.91Å; I24-E160 HydrophobicContact CG2-CG 4.41Å; I24-K162 HydrophobicContact CG2-CG 4.31Å |
| 25 | A | 98.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M22 R27 G28 H48 | M22-A25 WeakPolarHBondContact O-CB 3.29Å; M22-A25 PolarHBondContact O-N 3.15Å; A25-R27 PolarHBondContact O-N 3.4Å; A25-R27 VanDerWaalsContact O-N 3.15Å; A25-G28 CarbonylContact O-C 3.57Å; A25-G28 PolarHBondContact O-N 3.49Å; A25-H48 VanDerWaalsContact CB-CE1 3.5Å; A25-H48 WeakPolarHBondContact CB-CE1 3.44Å |
| 26 | H | 98.7 | Very high | 93.9 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.5 | 178 | 52.7 | -84.6 | 0 | 0 | 0 | 113.2 | K23 I24 E160 A410 G413 | K23-H26 PolarHBondContact O-CE1 3.23Å; I24-H26 PolarHBondContact O-N 2.93Å; H26-E160 IonicContact CD2-OE1 3.73Å; H26-E160 IonicContact CE1-OE2 2.66Å; H26-E160 PolarHBondContact CE1-OE2 2.85Å; H26-E160 VanDerWaalsContact NE2-CD 3.32Å; H26-E160 IonicContact NE2-OE1 3.48Å; H26-E160 PolarHBondContact NE2-OE1 2.87Å; H26-E160 IonicContact NE2-OE2 3.55Å; H26-E160 PolarHBondContact NE2-OE2 2.89Å; H26-A410 CarbonylContact C-O 3.59Å; H26-A410 VanDerWaalsContact O-O 3.06Å; H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.41Å; H26-G413 PolarHBondContact O-N 3.32Å |
| 27 | R | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -52.5 | 179.5 | -54.9 | -172.1 | 64.6 | 83.7 | 0.1 | 110.1 | M1 C2 I24 A25 P29 N75 E160 D406 A410 G413 | M1-R27 CarbonylContact C-O 3.6Å; M1-R27 PolarHBondContact N-O 3.42Å; M1-R27 CarbonylContact O-C 3.6Å; M1-R27 VanDerWaalsContact O-CA 3.32Å; M1-R27 WeakPolarHBondContact O-CA 3.28Å; M1-R27 WeakPolarHBondContact O-CB 3.43Å; C2-R27 PolarHBondContact O-NE 2.88Å; I24-R27 WeakPolarHBondContact O-CB 3.47Å; I24-R27 WeakPolarHBondContact O-CG 3.34Å; I24-R27 PolarHBondContact O-N 2.83Å; A25-R27 PolarHBondContact O-N 3.4Å; A25-R27 VanDerWaalsContact O-N 3.15Å; R27-P29 VanDerWaalsContact O-CD 3.23Å; R27-P29 WeakPolarHBondContact O-CD 3.45Å; R27-N75 PolarHBondContact NH2-ND2 3.37Å; R27-N75 VanDerWaalsContact NH2-ND2 3.16Å; R27-E160 VanDerWaalsContact CD-OE1 3.27Å; R27-E160 WeakPolarHBondContact CD-OE1 3.16Å; R27-E160 IonicContact CZ-OE1 2.64Å; R27-E160 IonicContact NE-OE1 2.64Å; R27-E160 IonicContact NH1-OE1 3.04Å; R27-E160 PolarHBondContact NH1-OE1 3.47Å; R27-D406 IonicContact CZ-OD1 3.91Å; R27-D406 IonicContact CZ-OD2 3.53Å; R27-D406 IonicContact NH1-OD1 3.21Å; R27-D406 PolarHBondContact NH1-OD1 3.22Å; R27-D406 IonicContact NH1-OD2 3.56Å; R27-D406 IonicContact NH2-OD1 3.64Å; R27-D406 PolarHBondContact NH2-OD1 3.37Å; R27-D406 IonicContact NH2-OD2 3.21Å; R27-D406 PolarHBondContact NH2-OD2 3.27Å; R27-A410 WeakPolarHBondContact CA-O 3.46Å; R27-A410 HydrophobicContact CB-CB 4.46Å; R27-A410 HydrophobicContact CG-CB 4.1Å; R27-G413 WeakPolarHBondContact O-CA 3.42Å |
| 28 | G | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -117.8 | 79.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 A25 D30 H48 R49 | M1-G28 PolarHBondContact O-N 3.15Å; A25-G28 CarbonylContact O-C 3.57Å; A25-G28 PolarHBondContact O-N 3.49Å; G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 2.97Å; G28-H48 WeakPolarHBondContact O-CB 3.46Å; G28-R49 CarbonylContact C-O 3.53Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.42Å | ||
| 29 | P | 98.2 | Very high | 96.4 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | trans | -77.2 | -9.9 | -171.7 | 32.9 | -39.5 | 0 | 0 | 0 | 115.1 | R27 L50 | R27-P29 VanDerWaalsContact O-CD 3.23Å; R27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-L50 HydrophobicContact CG-CD1 4.12Å | ||
| 30 | D | 98.5 | Very high | 96.8 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -83.5 | -37.1 | -168.1 | -61.4 | -20.5 | 0 | 0 | 0 | 112.2 | G28 R49 A51 R251 | G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 2.97Å; D30-R49 WeakPolarHBondContact CB-O 3.36Å; D30-R49 PolarHBondContact N-O 3.42Å; D30-A51 PolarHBondContact OD2-N 3.3Å; D30-R251 IonicContact OD2-NH1 3.66Å; D30-R251 PolarHBondContact OD2-NH1 2.98Å |
| 31 | A | 98.6 | Very high | 97 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 35% | 0.347 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 155.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H48 R49 M59 | A31-H48 CarbonylContact O-C 3.49Å; A31-H48 WeakPolarHBondContact O-CA 3.46Å; A31-R49 HydrophobicContact CB-CB 4.37Å; A31-R49 PolarHBondContact N-O 3.25Å; A31-R49 PolarHBondContact O-N 3Å; A31-M59 HydrophobicContact CB-CE 3.78Å; A31-M59 HydrophobicContact CB-SD 3.8Å |
| 32 | F | 98.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 31% | 0.311 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.7 | 172.6 | 175 | -110.8 | 0 | 0 | 0 | 111.1 | A21 M22 F34 F47 H48 M59 | A21-F32 HydrophobicContact CB-CE2 4.26Å; A21-F32 HydrophobicContact CB-CZ 4.27Å; M22-F32 HydrophobicContact CE-CD1 3.61Å; M22-F32 HydrophobicContact CE-CE1 3.11Å; M22-F32 HydrophobicContact CE-CE2 4.27Å; M22-F32 HydrophobicContact CE-CG 4.36Å; M22-F32 HydrophobicContact CE-CZ 3.47Å; M22-F32 VanDerWaalsContact CE-CZ 3.47Å; M22-F32 HydrophobicContact SD-CD1 4.34Å; M22-F32 HydrophobicContact SD-CE1 4.15Å; M22-F32 HydrophobicContact SD-CE2 4.41Å; M22-F32 HydrophobicContact SD-CZ 4.15Å; F32-F34 HydrophobicContact CE1-CB 3.7Å; F32-F34 HydrophobicContact CZ-CB 3.64Å; F32-F34 HydrophobicContact CZ-CD2 4.32Å; F32-F34 HydrophobicContact CZ-CG 4.43Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.49Å; F32-F47 WeakPolarHBondContact CD2-O 2.95Å; F32-H48 AromaticContact CD2-CD2 3.81Å; F32-H48 AromaticContact CD2-CE1 3.16Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.44Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.06Å; F32-H48 AromaticContact CD2-NE2 3.41Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.42Å; F32-H48 AromaticContact CE2-CE1 3.65Å; F32-H48 AromaticContact CE2-NE2 3.46Å; F32-H48 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H48 AromaticContact CG-CE1 3.77Å; F32-H48 AromaticContact CG-ND1 3.98Å; F32-M59 VanDerWaalsContact C-CE 3.4Å |
| 33 | R | 98.1 | Very high | 97.1 | Very high | 92 Ų | 92 | 49 Ų | 49 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.4 | 168.4 | -176.3 | -178.2 | -66.3 | 167.2 | 0.2 | 109.4 | G46 F47 M59 Q60 P61 | R33-G46 WeakPolarHBondContact O-CA 3.38Å; R33-F47 PolarHBondContact N-O 3.29Å; R33-F47 PolarHBondContact O-N 3.32Å; R33-M59 HydrophobicContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.02Å; R33-M59 VanDerWaalsContact NH2-CG 3.28Å; R33-Q60 WeakPolarHBondContact CB-O 3.37Å; R33-Q60 WeakPolarHBondContact CD-O 3.49Å; R33-P61 PolarHBondContact NH1-O 3.33Å |
| 34 | F | 97.2 | Very high | 97.1 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 25% | 0.254 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.4 | 169.7 | -177.2 | -89.5 | 0 | 0 | 0 | 108.6 | W5 L14 C18 F32 C44 F45 | W5-F34 HydrophobicContact CH2-CE2 4.22Å; W5-F34 HydrophobicContact CZ3-CD2 4.43Å; W5-F34 AromaticContact CZ3-CE2 3.7Å; W5-F34 HydrophobicContact CZ3-CE2 3.7Å; L14-F34 HydrophobicContact CB-CE1 4.18Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; L14-F34 HydrophobicContact CD2-CZ 4.39Å; C18-F34 HydrophobicContact CB-CD2 4.33Å; C18-F34 HydrophobicContact CB-CE2 4.15Å; C18-F34 HydrophobicContact CB-CZ 4.29Å; F32-F34 HydrophobicContact CE1-CB 3.7Å; F32-F34 HydrophobicContact CZ-CB 3.64Å; F32-F34 HydrophobicContact CZ-CD2 4.32Å; F32-F34 HydrophobicContact CZ-CG 4.43Å; F34-C44 HydrophobicContact CE2-CB 4.35Å; F34-C44 HydrophobicContact CZ-CB 3.99Å; F34-F45 WeakPolarHBondContact CA-O 3.43Å |
| 35 | E | 95.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.7 | 175.2 | 57 | 177.9 | 150.2 | 0 | 0 | 111.1 | C44 F45 P61 R63 W71 | E35-C44 WeakPolarHBondContact O-CA 3.03Å; E35-C44 WeakPolarHBondContact O-CB 3.46Å; E35-F45 PolarHBondContact N-O 2.94Å; E35-F45 VanDerWaalsContact N-O 3.09Å; E35-F45 PolarHBondContact O-N 3.09Å; E35-P61 HydrophobicContact CG-CG 3.98Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 3.37Å; E35-P61 WeakPolarHBondContact OE1-CG 3.26Å; E35-R63 IonicContact OE2-NH1 3.25Å; E35-R63 PolarHBondContact OE2-NH1 3.33Å; E35-R63 VanDerWaalsContact OE2-NH1 3.11Å; E35-W71 VanDerWaalsContact CD-CZ3 3.49Å; E35-W71 HydrophobicContact CG-CZ3 3.86Å; E35-W71 WeakPolarHBondContact OE2-CZ3 3.35Å |
| 36 | N | 95.6 | Very high | 97.1 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 168.1 | 173.1 | 71.8 | -18.3 | 0 | 0 | 0 | 111.5 | L14 T41 C43 C44 W71 | L14-N36 HydrophobicContact CD1-CB 3.5Å; L14-N36 VanDerWaalsContact CD1-CB 3.5Å; N36-T41 PolarHBondContact ND2-O 3.5Å; N36-C43 VanDerWaalsContact CA-O 3.3Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.28Å; N36-C44 HydrophobicContact CB-CB 4.12Å; N36-W71 WeakPolarHBondContact O-CH2 3.27Å |
| 37 | V | 96.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.8 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | G39 Y40 T41 C43 F45 W71 L126 T128 | V37-G39 PolarHBondContact O-N 3.43Å; V37-Y40 HydrophobicContact CG1-CD2 4.26Å; V37-Y40 CarbonylContact O-C 3.04Å; V37-Y40 PolarHBondContact O-N 2.82Å; V37-Y40 VanDerWaalsContact O-O 3.11Å; V37-T41 PolarHBondContact O-N 2.97Å; V37-C43 HydrophobicContact CB-CB 4.33Å; V37-C43 HydrophobicContact CG2-CB 4.06Å; V37-C43 PolarHBondContact N-O 3.45Å; V37-F45 HydrophobicContact CG2-CD2 4.23Å; V37-F45 HydrophobicContact CG2-CE2 3.76Å; V37-W71 HydrophobicContact CG1-CZ2 4.39Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; V37-L126 HydrophobicContact CB-CD2 4.32Å; V37-L126 HydrophobicContact CG1-CD2 3.85Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; V37-T128 HydrophobicContact CG1-CG2 3.86Å |
| 38 | N | 95.1 | Very high | 97.1 | Very high | 121 Ų | 121 | 39.9 Ų | 39.9 | 65% | 0.647 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 130.6 | 172.9 | -63 | 86.6 | 0 | 0 | 0 | 110.8 | Y40 | N38-Y40 PolarHBondContact O-N 3.38Š|
| 39 | G | 94.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 74% | 0.742 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | -12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V37 | V37-G39 PolarHBondContact O-N 3.43Š|
| 40 | Y | 96.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 62.2 | 174.1 | -64 | -75.9 | 0 | 0 | 0 | 109.1 | V37 N38 N42 C43 T128 K131 L190 K191 | V37-Y40 HydrophobicContact CG1-CD2 4.26Å; V37-Y40 CarbonylContact O-C 3.04Å; V37-Y40 PolarHBondContact O-N 2.82Å; V37-Y40 VanDerWaalsContact O-O 3.11Å; N38-Y40 PolarHBondContact O-N 3.38Å; Y40-N42 PolarHBondContact O-N 3.01Å; Y40-C43 WeakPolarHBondContact O-CA 3.23Å; Y40-C43 WeakPolarHBondContact O-CB 3.18Å; Y40-C43 PolarHBondContact O-N 3.16Å; Y40-T128 HydrophobicContact CD2-CG2 4.23Å; Y40-T128 HydrophobicContact CE2-CG2 4.34Å; Y40-K131 VanDerWaalsContact OH-CD 3.27Å; Y40-K131 WeakPolarHBondContact OH-CD 3.38Å; Y40-K131 WeakPolarHBondContact OH-CE 3.28Å; Y40-K131 PolarHBondContact OH-NZ 3.19Å; Y40-L190 HydrophobicContact CD1-CD1 4.35Å; Y40-L190 HydrophobicContact CD1-CD2 4.14Å; Y40-L190 HydrophobicContact CD1-CG 4.31Å; Y40-L190 HydrophobicContact CD2-CD2 3.83Å; Y40-L190 HydrophobicContact CE1-CD1 4.44Å; Y40-L190 HydrophobicContact CE1-CD2 3.88Å; Y40-L190 HydrophobicContact CE1-CG 3.96Å; Y40-L190 HydrophobicContact CE2-CD2 3.55Å; Y40-L190 HydrophobicContact CE2-CG 4.49Å; Y40-L190 HydrophobicContact CG-CD2 4.11Å; Y40-K191 VanDerWaalsContact CE1-O 3.29Å; Y40-K191 WeakPolarHBondContact CE1-O 3.32Å |
| 41 | T | 94.1 | Very high | 97.1 | Very high | 94 Ų | 94 | 35.3 Ų | 35.3 | 58% | 0.577 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -10.2 | -168.7 | 53.1 | 0 | 0 | 0 | 0 | 114 | L14 N36 V37 | L14-T41 VanDerWaalsContact CD1-O 3.24Å; L14-T41 WeakPolarHBondContact CD1-O 3.24Å; N36-T41 PolarHBondContact ND2-O 3.5Å; V37-T41 PolarHBondContact O-N 2.97Å |
| 42 | N | 95.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 6.3 | 171.1 | 63.4 | -21.7 | 0 | 0 | 0 | 113.7 | G9 S10 Y40 N193 | G9-N42 PolarHBondContact N-O 2.67Å; S10-N42 VanDerWaalsContact CB-O 3.31Å; S10-N42 WeakPolarHBondContact CB-O 3.31Å; S10-N42 PolarHBondContact N-O 2.9Å; S10-N42 VanDerWaalsContact O-CB 3.29Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å; Y40-N42 PolarHBondContact O-N 3.01Å; N42-N193 PolarHBondContact ND2-O 2.9Å |
| 43 | C | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134 | 166.5 | -56 | 0 | 0 | 0 | 0 | 108.8 | L7 F8 N36 V37 Y40 G194 | L7-C43 CarbonylContact O-C 3.6Å; L7-C43 WeakPolarHBondContact O-CA 3.2Å; F8-C43 HydrophobicContact CD1-CB 3.99Å; N36-C43 VanDerWaalsContact CA-O 3.3Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.28Å; V37-C43 HydrophobicContact CB-CB 4.33Å; V37-C43 HydrophobicContact CG2-CB 4.06Å; V37-C43 PolarHBondContact N-O 3.45Å; Y40-C43 WeakPolarHBondContact O-CA 3.23Å; Y40-C43 WeakPolarHBondContact O-CB 3.18Å; Y40-C43 PolarHBondContact O-N 3.16Å; C43-G194 PolarHBondContact SG-O 3.18Å |
| 44 | C | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159.7 | -177.2 | 63 | 0 | 0 | 0 | 0 | 112.8 | W5 A6 L7 L14 F34 E35 N36 | W5-C44 VanDerWaalsContact CZ3-SG 3.53Å; A6-C44 CarbonylContact C-O 3.58Å; A6-C44 VanDerWaalsContact CA-O 3.24Å; A6-C44 WeakPolarHBondContact CA-O 3.31Å; L7-C44 PolarHBondContact N-O 3.3Å; L7-C44 PolarHBondContact O-N 2.92Å; L14-C44 HydrophobicContact CD2-CB 3.85Å; L14-C44 VanDerWaalsContact CD2-SG 3.53Å; F34-C44 HydrophobicContact CE2-CB 4.35Å; F34-C44 HydrophobicContact CZ-CB 3.99Å; E35-C44 WeakPolarHBondContact O-CA 3.03Å; E35-C44 WeakPolarHBondContact O-CB 3.46Å; N36-C44 HydrophobicContact CB-CB 4.12Å |
| 45 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.9 | 177.1 | -63 | -92.4 | 0 | 0 | 0 | 109.5 | A6 F8 F34 E35 V37 P61 W71 C73 V124 L126 | A6-F45 HydrophobicContact CB-CD1 3.59Å; A6-F45 HydrophobicContact CB-CE1 3.87Å; A6-F45 HydrophobicContact CB-CG 4.33Å; F8-F45 HydrophobicContact CE1-CZ 4.21Å; F8-F45 HydrophobicContact CZ-CE1 4.13Å; F8-F45 AromaticContact CZ-CZ 3.83Å; F8-F45 HydrophobicContact CZ-CZ 3.83Å; F34-F45 WeakPolarHBondContact CA-O 3.43Å; E35-F45 PolarHBondContact N-O 2.94Å; E35-F45 VanDerWaalsContact N-O 3.09Å; E35-F45 PolarHBondContact O-N 3.09Å; V37-F45 HydrophobicContact CG2-CD2 4.23Å; V37-F45 HydrophobicContact CG2-CE2 3.76Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.24Å; F45-P61 HydrophobicContact CG-CG 3.86Å; F45-W71 HydrophobicContact CD2-CE3 4.16Å; F45-W71 HydrophobicContact CE2-CB 4.12Å; F45-W71 HydrophobicContact CE2-CE3 4.22Å; F45-W71 HydrophobicContact CZ-CB 4.23Å; F45-C73 HydrophobicContact CD1-CB 4.11Å; F45-V124 HydrophobicContact CD1-CG1 4.16Å; F45-V124 HydrophobicContact CE1-CG1 3.84Å; F45-V124 HydrophobicContact CE1-CG2 4.06Å; F45-L126 HydrophobicContact CE2-CB 4.49Å; F45-L126 HydrophobicContact CE2-CD2 3.95Å; F45-L126 HydrophobicContact CZ-CB 3.85Å; F45-L126 HydrophobicContact CZ-CD2 4.1Å |
| 46 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | W5 R33 | W5-G46 PolarHBondContact N-O 3.19Å; W5-G46 PolarHBondContact O-N 2.92Å; R33-G46 WeakPolarHBondContact O-CA 3.38Å |
| 47 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.4 | -177.1 | -172.6 | -107.7 | 0 | 0 | 0 | 111.7 | C2 G3 I4 F32 R33 R49 M59 Q60 Y74 | C2-F47 HydrophobicContact CB-CE1 4.41Å; C2-F47 HydrophobicContact CB-CE2 3.58Å; C2-F47 HydrophobicContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact CB-CZ 3.41Å; C2-F47 VanDerWaalsContact SG-CZ 3.54Å; G3-F47 WeakPolarHBondContact O-CA 3.37Å; G3-F47 WeakPolarHBondContact O-CD2 3.38Å; I4-F47 HydrophobicContact CG2-CD2 3.77Å; I4-F47 HydrophobicContact CG2-CE2 3.72Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.49Å; F32-F47 WeakPolarHBondContact CD2-O 2.95Å; R33-F47 PolarHBondContact N-O 3.29Å; R33-F47 PolarHBondContact O-N 3.32Å; F47-R49 HydrophobicContact CD1-CB 4.02Å; F47-R49 HydrophobicContact CE1-CB 3.56Å; F47-R49 HydrophobicContact CE1-CG 3.73Å; F47-R49 HydrophobicContact CZ-CB 4.5Å; F47-R49 HydrophobicContact CZ-CG 4.48Å; F47-M59 HydrophobicContact CD1-CE 4.26Å; F47-M59 HydrophobicContact CD1-SD 4.41Å; F47-Q60 HydrophobicContact CB-CB 4.44Å; F47-Q60 HydrophobicContact CD1-CB 3.54Å; F47-Q60 HydrophobicContact CD1-CG 3.91Å; F47-Q60 HydrophobicContact CD2-CB 4.13Å; F47-Q60 HydrophobicContact CE1-CB 3.65Å; F47-Q60 HydrophobicContact CE1-CG 3.43Å; F47-Q60 VanDerWaalsContact CE1-CG 3.43Å; F47-Q60 HydrophobicContact CE2-CB 4.23Å; F47-Q60 HydrophobicContact CE2-CG 4.17Å; F47-Q60 HydrophobicContact CG-CB 3.78Å; F47-Q60 HydrophobicContact CG-CG 4.43Å; F47-Q60 HydrophobicContact CZ-CB 4Å; F47-Q60 HydrophobicContact CZ-CG 3.58Å; F47-Y74 WeakPolarHBondContact CE2-O 3.12Å |
| 48 | H | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119 | 170.4 | -67.6 | -83.6 | 0 | 0 | 0 | 108.7 | C2 G3 A21 A25 G28 A31 F32 | C2-H48 CarbonylContact C-O 3.52Å; C2-H48 WeakPolarHBondContact CA-O 3.3Å; C2-H48 WeakPolarHBondContact CB-O 3.23Å; G3-H48 PolarHBondContact N-O 3.06Å; G3-H48 PolarHBondContact O-N 2.58Å; A21-H48 PolarHBondContact O-CD2 2.85Å; A21-H48 PolarHBondContact O-NE2 3.19Å; A25-H48 VanDerWaalsContact CB-CE1 3.5Å; A25-H48 WeakPolarHBondContact CB-CE1 3.44Å; G28-H48 WeakPolarHBondContact O-CB 3.46Å; A31-H48 CarbonylContact O-C 3.49Å; A31-H48 WeakPolarHBondContact O-CA 3.46Å; F32-H48 AromaticContact CD2-CD2 3.81Å; F32-H48 AromaticContact CD2-CE1 3.16Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.44Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.06Å; F32-H48 AromaticContact CD2-NE2 3.41Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.42Å; F32-H48 AromaticContact CE2-CE1 3.65Å; F32-H48 AromaticContact CE2-NE2 3.46Å; F32-H48 WeakPolarHBondContact CE2-NE2 3.43Å; F32-H48 AromaticContact CG-CE1 3.77Å; F32-H48 AromaticContact CG-ND1 3.98Å |
| 49 | R | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130 | -173.2 | -166.4 | 168.3 | -169.4 | -133.4 | -3.7 | 111.2 | G28 D30 A31 F47 A51 V53 D54 P55 G58 M59 | G28-R49 CarbonylContact C-O 3.53Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.42Å; D30-R49 WeakPolarHBondContact CB-O 3.36Å; D30-R49 PolarHBondContact N-O 3.42Å; A31-R49 HydrophobicContact CB-CB 4.37Å; A31-R49 PolarHBondContact N-O 3.25Å; A31-R49 PolarHBondContact O-N 3Å; F47-R49 HydrophobicContact CD1-CB 4.02Å; F47-R49 HydrophobicContact CE1-CB 3.56Å; F47-R49 HydrophobicContact CE1-CG 3.73Å; F47-R49 HydrophobicContact CZ-CB 4.5Å; F47-R49 HydrophobicContact CZ-CG 4.48Å; R49-A51 HydrophobicContact CG-CB 4.46Å; R49-V53 PolarHBondContact NH2-O 2.62Å; R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 VanDerWaalsContact NH1-O 3.08Å; R49-D54 PolarHBondContact NH2-O 3.43Å; R49-P55 PolarHBondContact NH1-O 3.16Å; R49-G58 PolarHBondContact NE-O 3.37Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 PolarHBondContact NH2-O 3.33Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.8Å; R49-M59 VanDerWaalsContact CD-SD 3.51Å; R49-M59 HydrophobicContact CG-SD 4.29Å |
| 50 | L | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | trans | -100.8 | 111.7 | 151.3 | 179.1 | 68.9 | 0 | 0 | 0 | 106.1 | C2 P29 V52 V359 G413 E415 | C2-L50 PolarHBondContact SG-N 2.98Å; C2-L50 PolarHBondContact SG-O 2.93Å; P29-L50 HydrophobicContact CG-CD1 4.12Å; L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.99Å; L50-V52 PolarHBondContact O-N 3.42Å; L50-V52 VanDerWaalsContact O-N 3.09Å; L50-V359 HydrophobicContact CD1-CG1 3.72Å; L50-V359 HydrophobicContact CD2-CG1 3.6Å; L50-V359 HydrophobicContact CG-CG1 3.86Å; L50-G413 VanDerWaalsContact CD1-O 3.3Å; L50-G413 WeakPolarHBondContact CD1-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.29Å; L50-E415 HydrophobicContact CD2-CB 4.1Å | ||
| 51 | A | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 27 Ų | 27 | 8% | 0.083 | 15% | 0.145 | C | C | . | . | trans | -79.2 | 95.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D30 R49 P55 R251 | D30-A51 PolarHBondContact OD2-N 3.3Å; R49-A51 HydrophobicContact CG-CB 4.46Å; A51-P55 HydrophobicContact CB-CB 4.27Å; A51-R251 VanDerWaalsContact O-CD 3.32Å; A51-R251 WeakPolarHBondContact O-CD 3.36Å; A51-R251 WeakPolarHBondContact O-CG 3.32Å; A51-R251 PolarHBondContact O-NH1 3.03Å | ||
| 52 | V | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | trans | -95.6 | -46.5 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | L50 E77 T249 D250 V359 V360 E415 | L50-V52 HydrophobicContact CD2-CG2 4.01Å; L50-V52 HydrophobicContact CG-CG2 3.99Å; L50-V52 PolarHBondContact O-N 3.42Å; L50-V52 VanDerWaalsContact O-N 3.09Å; V52-E77 WeakPolarHBondContact CB-OE1 3.38Å; V52-E77 WeakPolarHBondContact CG1-OE1 3.31Å; V52-T249 VanDerWaalsContact CG1-OG1 3.27Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.12Å; V52-T249 PolarHBondContact O-OG1 2.82Å; V52-D250 PolarHBondContact O-N 3.05Å; V52-V359 HydrophobicContact CG2-CG1 4.46Å; V52-V360 HydrophobicContact CG1-CG2 3.67Å; V52-E415 HydrophobicContact CG2-CB 4.34Å | ||
| 53 | V | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -119.9 | 137.2 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | R49 M248 | R49-V53 PolarHBondContact NH2-O 2.62Å; V53-M248 HydrophobicContact CG2-CE 4.34Å; V53-M248 HydrophobicContact CG2-CG 4.24Å |
| 54 | D | 97.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | trans | 54 | 74.4 | 178.2 | -176.6 | 13.6 | 0 | 0 | 0 | 113.2 | R49 L56 F57 G58 N95 V96 D250 | R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 VanDerWaalsContact NH1-O 3.08Å; R49-D54 PolarHBondContact NH2-O 3.43Å; D54-L56 PolarHBondContact O-N 3.05Å; D54-F57 WeakPolarHBondContact OD1-CD2 3.49Å; D54-F57 PolarHBondContact OD1-N 3.45Å; D54-F57 WeakPolarHBondContact OD2-CB 3.37Å; D54-G58 PolarHBondContact O-N 3.19Å; D54-G58 PolarHBondContact OD2-N 3.07Å; D54-N95 HydrophobicContact CB-CB 3.82Å; D54-N95 WeakPolarHBondContact OD2-CA 3.24Å; D54-N95 PolarHBondContact OD2-N 2.91Å; D54-V96 HydrophobicContact CB-CB 4.25Å; D54-V96 PolarHBondContact OD2-N 3.03Å; D54-D250 PolarHBondContact N-OD2 2.85Å | ||
| 55 | P | 96.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 47% | 0.474 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.2 | -177 | 24.9 | -33.6 | 0 | 0 | 0 | 113 | R49 A51 | R49-P55 PolarHBondContact NH1-O 3.16Å; A51-P55 HydrophobicContact CB-CB 4.27Å |
| 56 | L | 97.3 | Very high | 98.4 | Very high | 136 Ų | 136 | 40.1 Ų | 40.1 | 71% | 0.712 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -43.9 | -174 | -63.3 | 178.6 | 0 | 0 | 0 | 113.2 | D54 | D54-L56 PolarHBondContact O-N 3.05Š|
| 57 | F | 97.8 | Very high | 98.4 | Very high | 129 Ų | 129 | 40.5 Ų | 40.5 | 57% | 0.566 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -10.2 | -169.1 | -48.9 | -74.5 | 0 | 0 | 0 | 114.8 | D54 M59 T94 | D54-F57 WeakPolarHBondContact OD1-CD2 3.49Å; D54-F57 PolarHBondContact OD1-N 3.45Å; D54-F57 WeakPolarHBondContact OD2-CB 3.37Å; F57-M59 VanDerWaalsContact C-N 3.33Å; F57-M59 PolarHBondContact O-N 3.2Å; F57-T94 HydrophobicContact CB-CG2 4.35Å; F57-T94 WeakPolarHBondContact O-CG2 3.21Å |
| 58 | G | 98 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -85.6 | 19.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | R49 D54 | R49-G58 PolarHBondContact NE-O 3.37Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 PolarHBondContact NH2-O 3.33Å; D54-G58 PolarHBondContact O-N 3.19Å; D54-G58 PolarHBondContact OD2-N 3.07Å | ||
| 59 | M | 98.7 | Very high | 98.3 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 15% | 0.153 | 23% | 0.232 | C | C | . | . | trans | -69.7 | 137 | 178.8 | -172.3 | 64.5 | -176.1 | 0 | 0 | 111.6 | A31 F32 R33 F47 R49 F57 | A31-M59 HydrophobicContact CB-CE 3.78Å; A31-M59 HydrophobicContact CB-SD 3.8Å; F32-M59 VanDerWaalsContact C-CE 3.4Å; R33-M59 HydrophobicContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact CB-CE 3.48Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.02Å; R33-M59 VanDerWaalsContact NH2-CG 3.28Å; F47-M59 HydrophobicContact CD1-CE 4.26Å; F47-M59 HydrophobicContact CD1-SD 4.41Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.8Å; R49-M59 VanDerWaalsContact CD-SD 3.51Å; R49-M59 HydrophobicContact CG-SD 4.29Å; F57-M59 VanDerWaalsContact C-N 3.33Å; F57-M59 PolarHBondContact O-N 3.2Å | ||
| 60 | Q | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -109.9 | 159.2 | -173.6 | -38.7 | -173.9 | 17.3 | 0 | 0 | 112.7 | R33 F47 I62 Y74 | R33-Q60 WeakPolarHBondContact CB-O 3.37Å; R33-Q60 WeakPolarHBondContact CD-O 3.49Å; F47-Q60 HydrophobicContact CB-CB 4.44Å; F47-Q60 HydrophobicContact CD1-CB 3.54Å; F47-Q60 HydrophobicContact CD1-CG 3.91Å; F47-Q60 HydrophobicContact CD2-CB 4.13Å; F47-Q60 HydrophobicContact CE1-CB 3.65Å; F47-Q60 HydrophobicContact CE1-CG 3.43Å; F47-Q60 VanDerWaalsContact CE1-CG 3.43Å; F47-Q60 HydrophobicContact CE2-CB 4.23Å; F47-Q60 HydrophobicContact CE2-CG 4.17Å; F47-Q60 HydrophobicContact CG-CB 3.78Å; F47-Q60 HydrophobicContact CG-CG 4.43Å; F47-Q60 HydrophobicContact CZ-CB 4Å; F47-Q60 HydrophobicContact CZ-CG 3.58Å; Q60-I62 HydrophobicContact CB-CG1 4.09Å; Q60-I62 HydrophobicContact CG-CD1 4.15Å; Q60-I62 HydrophobicContact CG-CG1 3.63Å; Q60-Y74 PolarHBondContact NE2-O 2.93Å; Q60-Y74 PolarHBondContact OE1-O 3.3Å |
| 61 | P | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -53.9 | 131 | 0.5 | -26.9 | 32.3 | 0 | 0 | 0 | 114.4 | R33 E35 F45 R63 W71 L72 | R33-P61 PolarHBondContact NH1-O 3.33Å; E35-P61 HydrophobicContact CG-CG 3.98Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 3.37Å; E35-P61 WeakPolarHBondContact OE1-CG 3.26Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.24Å; F45-P61 HydrophobicContact CG-CG 3.86Å; P61-R63 PolarHBondContact O-N 2.84Å; P61-W71 HydrophobicContact CB-CE3 4.18Å; P61-W71 HydrophobicContact CG-CE3 4.49Å; P61-L72 CarbonylContact C-O 3.52Å; P61-L72 WeakPolarHBondContact CA-O 3.39Å |
| 62 | I | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 120.9 | 176 | -54.5 | 177.9 | 0 | 0 | 0 | 107.2 | Q60 V64 L72 Y74 V96 L102 | Q60-I62 HydrophobicContact CB-CG1 4.09Å; Q60-I62 HydrophobicContact CG-CD1 4.15Å; Q60-I62 HydrophobicContact CG-CG1 3.63Å; I62-V64 HydrophobicContact CG2-CG1 4.22Å; I62-L72 HydrophobicContact CB-CB 4.3Å; I62-L72 HydrophobicContact CD1-CD2 4.22Å; I62-L72 PolarHBondContact N-O 3.22Å; I62-L72 PolarHBondContact O-N 2.94Å; I62-L72 VanDerWaalsContact O-N 3.16Å; I62-Y74 HydrophobicContact CD1-CD1 4.14Å; I62-Y74 HydrophobicContact CD1-CE1 3.86Å; I62-V96 HydrophobicContact CD1-CG1 3.65Å; I62-L102 HydrophobicContact CB-CD1 4.43Å; I62-L102 HydrophobicContact CG2-CD1 3.76Å |
| 63 | R | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 39% | 0.389 | 22% | 0.224 | S | C | . | . | trans | -136.1 | 123 | 176.1 | -65.2 | 168.8 | 64.3 | -167.5 | -1.3 | 107.6 | E35 P61 W71 | E35-R63 IonicContact OE2-NH1 3.25Å; E35-R63 PolarHBondContact OE2-NH1 3.33Å; E35-R63 VanDerWaalsContact OE2-NH1 3.11Å; P61-R63 PolarHBondContact O-N 2.84Å; R63-W71 HydrophobicContact CG-CD2 4.09Å; R63-W71 HydrophobicContact CG-CE3 4.22Å; R63-W71 HydrophobicContact CG-CG 4.32Å | ||
| 64 | V | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | trans | -117.3 | 147.9 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 110 | I62 K66 Y67 Q93 E99 L102 | I62-V64 HydrophobicContact CG2-CG1 4.22Å; V64-K66 HydrophobicContact CG2-CB 4.41Å; V64-K66 PolarHBondContact O-N 3.24Å; V64-Y67 HydrophobicContact CG2-CD2 3.48Å; V64-Y67 VanDerWaalsContact CG2-CD2 3.48Å; V64-Y67 HydrophobicContact CG2-CE2 4.29Å; V64-Y67 HydrophobicContact CG2-CG 4.19Å; V64-Y67 CarbonylContact O-C 3.54Å; V64-Y67 PolarHBondContact O-N 2.79Å; V64-Q93 HydrophobicContact CB-CB 4.14Å; V64-Q93 HydrophobicContact CG1-CB 3.97Å; V64-E99 HydrophobicContact CG1-CG 4.15Å; V64-L102 HydrophobicContact CG1-CD1 4.17Å; V64-L102 HydrophobicContact CG2-CD1 3.95Å | ||
| 65 | K | 98.6 | Very high | 98.4 | Very high | 183 Ų | 183 | 46 Ų | 46 | 80% | 0.796 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33 | -176.1 | -175.4 | 178.6 | 179.2 | -176.2 | 0 | 112.4 | Y67 | K65-Y67 VanDerWaalsContact C-N 3.25Å; K65-Y67 PolarHBondContact O-N 3.28Å |
| 66 | K | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32 | 179.1 | -166.3 | 173.5 | 178.4 | 165.9 | 0 | 112.7 | V64 P68 | V64-K66 HydrophobicContact CG2-CB 4.41Å; V64-K66 PolarHBondContact O-N 3.24Å; K66-P68 WeakPolarHBondContact O-CD 3.37Å |
| 67 | Y | 98.5 | Very high | 98.6 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | trans | -129.1 | 70.3 | -173.3 | -49.4 | -55 | 0 | 0 | 0 | 110.8 | V64 K65 Y69 L70 L102 H103 D106 | V64-Y67 HydrophobicContact CG2-CD2 3.48Å; V64-Y67 VanDerWaalsContact CG2-CD2 3.48Å; V64-Y67 HydrophobicContact CG2-CE2 4.29Å; V64-Y67 HydrophobicContact CG2-CG 4.19Å; V64-Y67 CarbonylContact O-C 3.54Å; V64-Y67 PolarHBondContact O-N 2.79Å; K65-Y67 VanDerWaalsContact C-N 3.25Å; K65-Y67 PolarHBondContact O-N 3.28Å; Y67-Y69 PolarHBondContact O-N 3.43Å; Y67-L70 HydrophobicContact CD2-CD1 4.42Å; Y67-L70 HydrophobicContact CG-CD1 4.02Å; Y67-L70 PolarHBondContact O-N 2.79Å; Y67-L70 VanDerWaalsContact O-N 3.12Å; Y67-L102 HydrophobicContact CD2-CB 4.03Å; Y67-L102 HydrophobicContact CE2-CB 4.35Å; Y67-H103 AromaticContact CE2-CE1 3.83Å; Y67-H103 AromaticContact CE2-ND1 3.59Å; Y67-H103 AromaticContact CZ-ND1 3.85Å; Y67-H103 PolarHBondContact OH-ND1 3.22Å; Y67-D106 HydrophobicContact CD1-CB 4Å; Y67-D106 HydrophobicContact CE1-CB 3.57Å; Y67-D106 WeakPolarHBondContact CE1-OD2 3.43Å; Y67-D106 HydrophobicContact CE2-CB 4.49Å | ||
| 68 | P | 98.1 | Very high | 98.7 | Very high | 91 Ų | 91 | 30.5 Ų | 30.5 | 59% | 0.591 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.7 | -170.2 | 26.9 | -35.4 | 0 | 0 | 0 | 114.2 | K66 | K66-P68 WeakPolarHBondContact O-CD 3.37Š|
| 69 | Y | 98.4 | Very high | 98.7 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 28% | 0.275 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.6 | -180 | 44.7 | -90.5 | 0 | 0 | 0 | 114.1 | Y67 D106 T128 A129 | Y67-Y69 PolarHBondContact O-N 3.43Å; Y69-D106 PolarHBondContact OH-OD1 3.39Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.32Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.36Å; Y69-T128 PolarHBondContact O-N 3.45Å; Y69-T128 PolarHBondContact O-OG1 3.24Å; Y69-A129 HydrophobicContact CD1-CB 4.24Å; Y69-A129 HydrophobicContact CD2-CB 3.75Å; Y69-A129 HydrophobicContact CE2-CB 4.42Å; Y69-A129 HydrophobicContact CG-CB 3.67Å |
| 70 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.4 | -177.7 | -57.8 | -174.7 | 0 | 0 | 0 | 112.3 | Y67 L102 Y105 L126 D127 | Y67-L70 HydrophobicContact CD2-CD1 4.42Å; Y67-L70 HydrophobicContact CG-CD1 4.02Å; Y67-L70 PolarHBondContact O-N 2.79Å; Y67-L70 VanDerWaalsContact O-N 3.12Å; L70-L102 HydrophobicContact CB-CD2 3.95Å; L70-L102 HydrophobicContact CD1-CD2 4.16Å; L70-Y105 HydrophobicContact CD1-CD1 3.76Å; L70-Y105 HydrophobicContact CD1-CE1 4.19Å; L70-Y105 HydrophobicContact CD2-CD1 4.02Å; L70-Y105 HydrophobicContact CD2-CE1 3.62Å; L70-L126 WeakPolarHBondContact CA-O 3.3Å; L70-D127 HydrophobicContact CD2-CB 3.68Å |
| 71 | W | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 119.3 | 177.6 | -61.2 | 62.8 | 0 | 0 | 0 | 109 | E35 N36 V37 F45 P61 R63 L125 L126 | E35-W71 VanDerWaalsContact CD-CZ3 3.49Å; E35-W71 HydrophobicContact CG-CZ3 3.86Å; E35-W71 WeakPolarHBondContact OE2-CZ3 3.35Å; N36-W71 WeakPolarHBondContact O-CH2 3.27Å; V37-W71 HydrophobicContact CG1-CZ2 4.39Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; F45-W71 HydrophobicContact CD2-CE3 4.16Å; F45-W71 HydrophobicContact CE2-CB 4.12Å; F45-W71 HydrophobicContact CE2-CE3 4.22Å; F45-W71 HydrophobicContact CZ-CB 4.23Å; P61-W71 HydrophobicContact CB-CE3 4.18Å; P61-W71 HydrophobicContact CG-CE3 4.49Å; R63-W71 HydrophobicContact CG-CD2 4.09Å; R63-W71 HydrophobicContact CG-CE3 4.22Å; R63-W71 HydrophobicContact CG-CG 4.32Å; W71-L125 WeakPolarHBondContact O-CA 3.31Å; W71-L126 HydrophobicContact CB-CB 4.19Å; W71-L126 HydrophobicContact CB-CD2 4.4Å; W71-L126 HydrophobicContact CG-CD2 4.29Å; W71-L126 PolarHBondContact N-O 3.49Å; W71-L126 PolarHBondContact O-N 2.99Å |
| 72 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.1 | -178.4 | 172.7 | 66.9 | 0 | 0 | 0 | 111.3 | P61 I62 G98 I101 L102 F123 L125 | P61-L72 CarbonylContact C-O 3.52Å; P61-L72 WeakPolarHBondContact CA-O 3.39Å; I62-L72 HydrophobicContact CB-CB 4.3Å; I62-L72 HydrophobicContact CD1-CD2 4.22Å; I62-L72 PolarHBondContact N-O 3.22Å; I62-L72 PolarHBondContact O-N 2.94Å; I62-L72 VanDerWaalsContact O-N 3.16Å; L72-G98 WeakPolarHBondContact CD2-O 3.3Å; L72-I101 HydrophobicContact CD1-CG2 4.19Å; L72-I101 HydrophobicContact CD2-CB 3.8Å; L72-I101 HydrophobicContact CD2-CD1 4.23Å; L72-I101 HydrophobicContact CD2-CG2 4.07Å; L72-L102 HydrophobicContact CB-CD2 3.71Å; L72-L102 HydrophobicContact CB-CG 4.37Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.09Å; L72-F123 HydrophobicContact CD1-CB 3.99Å; L72-F123 HydrophobicContact CD1-CD2 4.39Å; L72-F123 HydrophobicContact CD1-CG 4.4Å; L72-L125 HydrophobicContact CB-CD1 4.13Å; L72-L125 HydrophobicContact CD1-CB 4.27Å; L72-L125 HydrophobicContact CD1-CD1 4.48Å |
| 73 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.7 | 161.6 | -92.3 | 0 | 0 | 0 | 0 | 108.6 | I4 F45 F123 V124 | I4-C73 HydrophobicContact CB-CB 4.49Å; I4-C73 HydrophobicContact CG2-CB 4Å; F45-C73 HydrophobicContact CD1-CB 4.11Å; C73-F123 CarbonylContact O-C 3.51Å; C73-F123 VanDerWaalsContact O-CA 3.27Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; C73-V124 HydrophobicContact CB-CG1 3.78Å; C73-V124 PolarHBondContact N-O 3.08Å; C73-V124 PolarHBondContact O-N 3.5Å |
| 74 | Y | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.02 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.4 | 174.2 | 86.9 | -61 | 0 | 0 | 0 | 112.2 | F47 Q60 I62 G76 I78 D97 G98 I101 A122 | F47-Y74 WeakPolarHBondContact CE2-O 3.12Å; Q60-Y74 PolarHBondContact NE2-O 2.93Å; Q60-Y74 PolarHBondContact OE1-O 3.3Å; I62-Y74 HydrophobicContact CD1-CD1 4.14Å; I62-Y74 HydrophobicContact CD1-CE1 3.86Å; Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.22Å; Y74-G76 WeakPolarHBondContact CE2-O 3.08Å; Y74-I78 HydrophobicContact CE2-CG1 4.36Å; Y74-D97 PolarHBondContact OH-OD1 2.96Å; Y74-D97 PolarHBondContact OH-OD2 3.49Å; Y74-G98 VanDerWaalsContact CZ-CA 3.4Å; Y74-G98 WeakPolarHBondContact OH-CA 3.5Å; Y74-G98 PolarHBondContact OH-N 2.8Å; Y74-I101 HydrophobicContact CD2-CD1 4.38Å; Y74-I101 HydrophobicContact CG-CD1 4.49Å; Y74-A122 CarbonylContact C-O 3.02Å; Y74-A122 WeakPolarHBondContact CA-O 3.42Å |
| 75 | N | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107 | 164 | 168.4 | 32 | 0 | 0 | 0 | 107.3 | C2 I4 R27 F121 A122 R143 | C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3Å; C2-N75 PolarHBondContact O-ND2 3.47Å; C2-N75 PolarHBondContact O-OD1 3.47Å; I4-N75 HydrophobicContact CG2-CB 4.26Å; R27-N75 PolarHBondContact NH2-ND2 3.37Å; R27-N75 VanDerWaalsContact NH2-ND2 3.16Å; N75-F121 CarbonylContact O-C 3.59Å; N75-F121 WeakPolarHBondContact O-CA 3.26Å; N75-A122 PolarHBondContact N-O 2.66Å; N75-A122 PolarHBondContact O-N 3.4Å; N75-R143 WeakPolarHBondContact O-CB 3.47Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.23Å |
| 76 | G | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -179.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y74 V120 | Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.22Å; Y74-G76 WeakPolarHBondContact CE2-O 3.08Å; G76-V120 CarbonylContact C-O 3.48Å; G76-V120 WeakPolarHBondContact CA-O 3.08Å |
| 77 | E | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 118.1 | 176.9 | -67.5 | -73.2 | 150.1 | 0 | 0 | 108 | V52 Y79 D97 G119 V120 M248 E415 R417 | V52-E77 WeakPolarHBondContact CB-OE1 3.38Å; V52-E77 WeakPolarHBondContact CG1-OE1 3.31Å; E77-Y79 HydrophobicContact CB-CD1 4.19Å; E77-Y79 HydrophobicContact CB-CE1 3.54Å; E77-Y79 HydrophobicContact CG-CE1 4.38Å; E77-D97 WeakPolarHBondContact CA-OD2 3.36Å; E77-G119 WeakPolarHBondContact O-CA 3.09Å; E77-V120 HydrophobicContact CB-CG2 4.45Å; E77-V120 PolarHBondContact N-O 3.1Å; E77-V120 PolarHBondContact O-N 2.89Å; E77-V120 VanDerWaalsContact O-N 3.09Å; E77-M248 HydrophobicContact CB-CE 4.05Å; E77-M248 WeakPolarHBondContact OE2-CE 3.31Å; E77-E415 WeakPolarHBondContact CG-OE2 3.45Å; E77-R417 IonicContact OE1-NH2 3.35Å; E77-R417 IonicContact OE2-CZ 3.57Å; E77-R417 IonicContact OE2-NH2 2.68Å; E77-R417 PolarHBondContact OE2-NH2 2.91Å |
| 78 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 88 | 178.3 | -47.4 | -55.4 | 0 | 0 | 0 | 109.5 | Y74 N80 Y81 D97 I100 I101 L117 F121 | Y74-I78 HydrophobicContact CE2-CG1 4.36Å; I78-N80 VanDerWaalsContact C-N 3.25Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.33Å; I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.16Å; I78-Y81 WeakPolarHBondContact O-CB 3.24Å; I78-Y81 VanDerWaalsContact O-CD1 3.32Å; I78-Y81 WeakPolarHBondContact O-CD1 3.45Å; I78-Y81 PolarHBondContact O-N 3.35Å; I78-Y81 VanDerWaalsContact O-N 3.08Å; I78-D97 HydrophobicContact CB-CB 4.39Å; I78-D97 PolarHBondContact N-OD2 2.93Å; I78-I100 HydrophobicContact CB-CG2 4.18Å; I78-I100 HydrophobicContact CG1-CG2 4.32Å; I78-I100 HydrophobicContact CG2-CG2 3.77Å; I78-I101 HydrophobicContact CD1-CD1 4.35Å; I78-I101 HydrophobicContact CG1-CD1 4.36Å; I78-L117 HydrophobicContact CD1-CB 4.36Å; I78-L117 HydrophobicContact CD1-CD1 4.19Å; I78-L117 HydrophobicContact CD1-CD2 4.45Å; I78-L117 HydrophobicContact CG2-CB 4.48Å; I78-L117 HydrophobicContact CG2-CD2 3.94Å; I78-F121 HydrophobicContact CD1-CB 4.11Å; I78-F121 HydrophobicContact CD1-CD1 3.67Å; I78-F121 HydrophobicContact CD1-CE1 4.49Å; I78-F121 HydrophobicContact CD1-CG 4.16Å |
| 79 | Y | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.6 | -169.3 | -52.5 | -60.3 | 0 | 0 | 0 | 114.3 | E77 D118 K245 R246 M248 | E77-Y79 HydrophobicContact CB-CD1 4.19Å; E77-Y79 HydrophobicContact CB-CE1 3.54Å; E77-Y79 HydrophobicContact CG-CE1 4.38Å; Y79-D118 WeakPolarHBondContact CB-O 3.34Å; Y79-D118 PolarHBondContact N-O 2.97Å; Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.29Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; Y79-R246 HydrophobicContact CD1-CG 4.13Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.34Å; Y79-R246 HydrophobicContact CE1-CG 3.67Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; Y79-M248 HydrophobicContact CD1-CE 4.09Å |
| 80 | N | 98 | Very high | 98 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3.6 | 177.9 | 69.4 | -18.9 | 0 | 0 | 0 | 114.7 | I78 K82 K83 M84 M116 D118 | I78-N80 VanDerWaalsContact C-N 3.25Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.33Å; I78-N80 PolarHBondContact O-N 2.88Å; I78-N80 VanDerWaalsContact O-N 3.16Å; N80-K82 PolarHBondContact O-N 3.34Å; N80-K83 WeakPolarHBondContact O-CA 3.42Å; N80-K83 WeakPolarHBondContact O-CB 3.26Å; N80-K83 PolarHBondContact O-N 3Å; N80-M84 HydrophobicContact CB-CG 4.39Å; N80-M84 WeakPolarHBondContact O-CG 3.2Å; N80-M84 PolarHBondContact O-N 2.62Å; N80-M84 VanDerWaalsContact O-N 3.11Å; N80-M116 PolarHBondContact ND2-O 2.86Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.45Å; N80-D118 PolarHBondContact OD1-N 3.26Å |
| 81 | Y | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.3 | -44.5 | -170 | 86.4 | -79.7 | 0 | 0 | 0 | 113.8 | I78 K83 M84 Q85 Y92 N95 D97 M248 | I78-Y81 WeakPolarHBondContact O-CB 3.24Å; I78-Y81 VanDerWaalsContact O-CD1 3.32Å; I78-Y81 WeakPolarHBondContact O-CD1 3.45Å; I78-Y81 PolarHBondContact O-N 3.35Å; I78-Y81 VanDerWaalsContact O-N 3.08Å; Y81-K83 PolarHBondContact O-N 2.93Å; Y81-M84 PolarHBondContact O-N 3.38Å; Y81-Q85 VanDerWaalsContact O-CB 3.26Å; Y81-Q85 WeakPolarHBondContact O-CB 3.45Å; Y81-Q85 PolarHBondContact O-N 3.15Å; Y81-Y92 HydrophobicContact CD2-CE2 4.03Å; Y81-Y92 HydrophobicContact CE2-CE2 4.44Å; Y81-N95 PolarHBondContact OH-O 3.19Å; Y81-D97 WeakPolarHBondContact CB-O 3.43Å; Y81-D97 HydrophobicContact CD1-CB 3.47Å; Y81-D97 VanDerWaalsContact CD1-CB 3.47Å; Y81-D97 HydrophobicContact CD2-CB 4.24Å; Y81-D97 HydrophobicContact CE1-CB 3.75Å; Y81-D97 HydrophobicContact CE2-CB 4.47Å; Y81-D97 HydrophobicContact CG-CB 3.7Å; Y81-M248 HydrophobicContact CD1-CE 4.45Å; Y81-M248 HydrophobicContact CD1-SD 3.51Å; Y81-M248 VanDerWaalsContact CD1-SD 3.51Å; Y81-M248 HydrophobicContact CE1-CE 4.45Å; Y81-M248 HydrophobicContact CE1-CG 4.14Å; Y81-M248 HydrophobicContact CE1-SD 3.33Å; Y81-M248 WeakPolarHBondContact CE1-SD 3.01Å |
| 82 | K | 97.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -28.3 | 178 | -76.3 | -53.1 | -168.2 | -160.8 | 0 | 113.3 | N80 Q85 R86 | N80-K82 PolarHBondContact O-N 3.34Å; K82-Q85 VanDerWaalsContact CD-OE1 3.31Å; K82-R86 WeakPolarHBondContact O-CG 3.5Å; K82-R86 PolarHBondContact O-N 2.83Å; K82-R86 PolarHBondContact O-NE 2.71Å; K82-R86 VanDerWaalsContact O-NE 3.07Å |
| 83 | K | 95.5 | Very high | 97.9 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.7 | -46.7 | 177.6 | -170.7 | 169.6 | -156.8 | 174.8 | 0 | 110.5 | N80 Y81 R86 H87 Y216 D217 | N80-K83 WeakPolarHBondContact O-CA 3.42Å; N80-K83 WeakPolarHBondContact O-CB 3.26Å; N80-K83 PolarHBondContact O-N 3Å; Y81-K83 PolarHBondContact O-N 2.93Å; K83-R86 PolarHBondContact O-N 3.26Å; K83-H87 WeakPolarHBondContact O-CB 3.32Å; K83-H87 PolarHBondContact O-N 3.05Å; K83-Y216 WeakPolarHBondContact CD-O 3.32Å; K83-Y216 WeakPolarHBondContact CE-O 3.28Å; K83-Y216 PolarHBondContact NZ-O 3.27Å; K83-D217 IonicContact NZ-OD1 2.67Å; K83-D217 PolarHBondContact NZ-OD1 3.27Å |
| 84 | M | 96.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.8 | -57.9 | -63.1 | -81.7 | 0 | 0 | 110.9 | N80 Y81 R86 H87 F88 I100 L104 M116 Y216 | N80-M84 HydrophobicContact CB-CG 4.39Å; N80-M84 WeakPolarHBondContact O-CG 3.2Å; N80-M84 PolarHBondContact O-N 2.62Å; N80-M84 VanDerWaalsContact O-N 3.11Å; Y81-M84 PolarHBondContact O-N 3.38Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.76Å; M84-H87 PolarHBondContact O-N 2.67Å; M84-F88 HydrophobicContact CE-CE2 3.83Å; M84-F88 VanDerWaalsContact O-CD2 3.31Å; M84-F88 WeakPolarHBondContact O-CD2 3.37Å; M84-F88 PolarHBondContact O-N 3.36Å; M84-F88 HydrophobicContact SD-CE2 4.37Å; M84-I100 HydrophobicContact CB-CD1 3.61Å; M84-I100 HydrophobicContact CB-CG1 3.95Å; M84-L104 HydrophobicContact CE-CD1 4.21Å; M84-L104 HydrophobicContact CE-CD2 4.17Å; M84-M116 HydrophobicContact CE-CB 3.68Å; M84-M116 HydrophobicContact CE-CE 3.27Å; M84-M116 HydrophobicContact CE-CG 4.14Å; M84-M116 HydrophobicContact CE-SD 4.27Å; M84-Y216 HydrophobicContact CE-CD2 4.41Å; M84-Y216 HydrophobicContact SD-CD2 4.25Å; M84-Y216 HydrophobicContact SD-CG 4.04Å |
| 85 | Q | 97.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 16% | 0.159 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.9 | -50.1 | 173.7 | -177.7 | -176.4 | 14.5 | 0 | 0 | 111.6 | Y81 K82 E89 F90 Y92 | Y81-Q85 VanDerWaalsContact O-CB 3.26Å; Y81-Q85 WeakPolarHBondContact O-CB 3.45Å; Y81-Q85 PolarHBondContact O-N 3.15Å; K82-Q85 VanDerWaalsContact CD-OE1 3.31Å; Q85-E89 WeakPolarHBondContact O-CA 3.36Å; Q85-E89 PolarHBondContact O-N 3.1Å; Q85-F90 HydrophobicContact CG-CB 4.4Å; Q85-F90 WeakPolarHBondContact CG-O 3.47Å; Q85-F90 PolarHBondContact NE2-O 3.38Å; Q85-F90 PolarHBondContact O-N 3.01Å; Q85-Y92 HydrophobicContact CB-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CD1 3.89Å; Q85-Y92 HydrophobicContact CG-CE1 3.57Å; Q85-Y92 HydrophobicContact CG-CG 4.49Å |
| 86 | R | 96.9 | Very high | 97.8 | Very high | 181 Ų | 181 | 55 Ų | 55 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.4 | -42.9 | -179.7 | -74.7 | -178.5 | -67.1 | 172.9 | -2.9 | 112.7 | K82 K83 M84 F88 E89 | K82-R86 WeakPolarHBondContact O-CG 3.5Å; K82-R86 PolarHBondContact O-N 2.83Å; K82-R86 PolarHBondContact O-NE 2.71Å; K82-R86 VanDerWaalsContact O-NE 3.07Å; K83-R86 PolarHBondContact O-N 3.26Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.76Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.01Å; R86-E89 PolarHBondContact O-N 3.38Å |
| 87 | H | 95.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -178.2 | 179.4 | 82.9 | 0 | 0 | 0 | 112.3 | K83 M84 Y216 | K83-H87 WeakPolarHBondContact O-CB 3.32Å; K83-H87 PolarHBondContact O-N 3.05Å; M84-H87 PolarHBondContact O-N 2.67Å; H87-Y216 AromaticContact CD2-CD1 3.73Å; H87-Y216 AromaticContact CD2-CE1 3.63Å; H87-Y216 AromaticContact CE1-CD1 3.99Å; H87-Y216 AromaticContact CG-CD1 3.99Å; H87-Y216 AromaticContact NE2-CD1 3.73Å; H87-Y216 AromaticContact NE2-CE1 3.39Å; H87-Y216 WeakPolarHBondContact NE2-CE1 3.2Å |
| 88 | F | 97 | Very high | 97.8 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.7 | 179 | -65.8 | -66.8 | 0 | 0 | 0 | 113.9 | M84 R86 F90 L104 K107 M116 Y216 | M84-F88 HydrophobicContact CE-CE2 3.83Å; M84-F88 VanDerWaalsContact O-CD2 3.31Å; M84-F88 WeakPolarHBondContact O-CD2 3.37Å; M84-F88 PolarHBondContact O-N 3.36Å; M84-F88 HydrophobicContact SD-CE2 4.37Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.01Å; F88-F90 HydrophobicContact CB-CD1 4.07Å; F88-F90 HydrophobicContact CB-CD2 3.66Å; F88-F90 HydrophobicContact CB-CE1 3.79Å; F88-F90 HydrophobicContact CB-CE2 3.36Å; F88-F90 HydrophobicContact CB-CG 4.01Å; F88-F90 HydrophobicContact CB-CZ 3.44Å; F88-F90 VanDerWaalsContact CB-CZ 3.44Å; F88-F90 AromaticContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CZ 4.25Å; F88-F90 AromaticContact CG-CE2 3.81Å; F88-F90 HydrophobicContact CG-CE2 3.81Å; F88-F90 AromaticContact CG-CZ 3.87Å; F88-F90 HydrophobicContact CG-CZ 3.87Å; F88-F90 PolarHBondContact O-N 3.25Å; F88-L104 HydrophobicContact CD2-CD2 4.22Å; F88-L104 HydrophobicContact CE2-CD2 4.15Å; F88-K107 HydrophobicContact CD1-CD 4.13Å; F88-K107 HydrophobicContact CE1-CD 4.45Å; F88-M116 HydrophobicContact CE2-CE 3.47Å; F88-M116 VanDerWaalsContact CE2-CE 3.47Å; F88-M116 HydrophobicContact CZ-CE 3.43Å; F88-M116 VanDerWaalsContact CZ-CE 3.43Å; F88-Y216 HydrophobicContact CE2-CE1 4.26Å; F88-Y216 AromaticContact CZ-CE1 3.74Å; F88-Y216 HydrophobicContact CZ-CE1 3.74Å; F88-Y216 AromaticContact CZ-CZ 3.9Å |
| 89 | E | 98.1 | Very high | 97.8 | Very high | 176 Ų | 176 | 54.4 Ų | 54.4 | 82% | 0.822 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41 | -179.7 | -58.2 | 179.8 | -172.6 | 0 | 0 | 113.1 | Q85 R86 E91 | Q85-E89 WeakPolarHBondContact O-CA 3.36Å; Q85-E89 PolarHBondContact O-N 3.1Å; R86-E89 PolarHBondContact O-N 3.38Å; E89-E91 PolarHBondContact O-N 3.27Å |
| 90 | F | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 123.8 | -179.5 | -65.7 | -44.7 | 0 | 0 | 0 | 111.7 | Q85 F88 Y92 I100 H103 L104 K107 | Q85-F90 HydrophobicContact CG-CB 4.4Å; Q85-F90 WeakPolarHBondContact CG-O 3.47Å; Q85-F90 PolarHBondContact NE2-O 3.38Å; Q85-F90 PolarHBondContact O-N 3.01Å; F88-F90 HydrophobicContact CB-CD1 4.07Å; F88-F90 HydrophobicContact CB-CD2 3.66Å; F88-F90 HydrophobicContact CB-CE1 3.79Å; F88-F90 HydrophobicContact CB-CE2 3.36Å; F88-F90 HydrophobicContact CB-CG 4.01Å; F88-F90 HydrophobicContact CB-CZ 3.44Å; F88-F90 VanDerWaalsContact CB-CZ 3.44Å; F88-F90 AromaticContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CE2 3.81Å; F88-F90 HydrophobicContact CD2-CZ 4.25Å; F88-F90 AromaticContact CG-CE2 3.81Å; F88-F90 HydrophobicContact CG-CE2 3.81Å; F88-F90 AromaticContact CG-CZ 3.87Å; F88-F90 HydrophobicContact CG-CZ 3.87Å; F88-F90 PolarHBondContact O-N 3.25Å; F90-Y92 HydrophobicContact CB-CD1 4.03Å; F90-Y92 HydrophobicContact CB-CE1 3.66Å; F90-I100 HydrophobicContact CD2-CD1 3.71Å; F90-I100 HydrophobicContact CE2-CD1 3.9Å; F90-H103 HydrophobicContact CB-CB 4.32Å; F90-H103 HydrophobicContact CD1-CB 3.9Å; F90-H103 AromaticContact CD1-ND1 3.97Å; F90-H103 HydrophobicContact CD2-CB 3.61Å; F90-H103 HydrophobicContact CE1-CB 3.99Å; F90-H103 HydrophobicContact CE2-CB 3.7Å; F90-H103 HydrophobicContact CG-CB 3.7Å; F90-H103 AromaticContact CG-CG 3.9Å; F90-H103 AromaticContact CG-ND1 3.98Å; F90-H103 HydrophobicContact CZ-CB 3.88Å; F90-L104 HydrophobicContact CE2-CD2 3.98Å; F90-L104 HydrophobicContact CE2-CG 4.4Å; F90-L104 HydrophobicContact CZ-CD2 4.36Å; F90-K107 HydrophobicContact CE1-CD 4.19Å; F90-K107 HydrophobicContact CZ-CB 4.44Å; F90-K107 HydrophobicContact CZ-CD 3.79Å |
| 91 | E | 98.3 | Very high | 97.9 | Very high | 160 Ų | 160 | 52.8 Ų | 52.8 | 75% | 0.748 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -80.8 | 117.5 | 170.3 | -174.2 | -178.6 | -166.7 | 0 | 0 | 110.3 | E89 H103 | E89-E91 PolarHBondContact O-N 3.27Å; E91-H103 PolarHBondContact O-CE1 3.45Å |
| 92 | Y | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 152.1 | -177.3 | -80.3 | 27.9 | 0 | 0 | 0 | 112 | Y81 Q85 F90 T94 E99 I100 H103 | Y81-Y92 HydrophobicContact CD2-CE2 4.03Å; Y81-Y92 HydrophobicContact CE2-CE2 4.44Å; Q85-Y92 HydrophobicContact CB-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CD1 3.89Å; Q85-Y92 HydrophobicContact CG-CE1 3.57Å; Q85-Y92 HydrophobicContact CG-CG 4.49Å; F90-Y92 HydrophobicContact CB-CD1 4.03Å; F90-Y92 HydrophobicContact CB-CE1 3.66Å; Y92-T94 WeakPolarHBondContact CB-O 3.49Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.45Å; Y92-E99 HydrophobicContact CD2-CB 4Å; Y92-E99 HydrophobicContact CD2-CG 4.12Å; Y92-E99 HydrophobicContact CE2-CB 3.93Å; Y92-E99 HydrophobicContact CE2-CG 4.31Å; Y92-E99 HydrophobicContact CG-CG 4.35Å; Y92-I100 WeakPolarHBondContact OH-CA 3.38Å; Y92-I100 WeakPolarHBondContact OH-CB 3.46Å; Y92-I100 WeakPolarHBondContact OH-CD1 3.27Å; Y92-I100 WeakPolarHBondContact OH-CG1 3.35Å; Y92-I100 PolarHBondContact OH-N 2.82Å; Y92-H103 AromaticContact CD1-CD2 3.69Å; Y92-H103 AromaticContact CD1-NE2 3.38Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.23Å; Y92-H103 AromaticContact CE1-CD2 3.38Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.24Å; Y92-H103 AromaticContact CE1-NE2 3.61Å |
| 93 | Q | 98.7 | Very high | 98 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -93.6 | -31.6 | 169.5 | -168.9 | -178.3 | -72.3 | 0 | 0 | 112.5 | V64 E99 | V64-Q93 HydrophobicContact CB-CB 4.14Å; V64-Q93 HydrophobicContact CG1-CB 3.97Å; Q93-E99 PolarHBondContact N-OE1 3.05Å; Q93-E99 PolarHBondContact N-OE2 3.32Å |
| 94 | T | 98.2 | Very high | 98.1 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -113.6 | 178.5 | 178.6 | 76.4 | 0 | 0 | 0 | 0 | 110.4 | F57 Y92 V96 E99 | F57-T94 HydrophobicContact CB-CG2 4.35Å; F57-T94 WeakPolarHBondContact O-CG2 3.21Å; Y92-T94 WeakPolarHBondContact CB-O 3.49Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.37Å; T94-V96 PolarHBondContact OG1-N 3.09Å; T94-E99 WeakPolarHBondContact CA-OE2 3.5Å; T94-E99 VanDerWaalsContact CB-OE2 3.25Å; T94-E99 WeakPolarHBondContact CB-OE2 3.29Å; T94-E99 PolarHBondContact N-OE2 3.14Å; T94-E99 PolarHBondContact OG1-OE2 2.66Å |
| 95 | N | 97.9 | Very high | 98.3 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | trans | -110.5 | 7.3 | 170.3 | -65 | -61.4 | 0 | 0 | 0 | 112.6 | D54 Y81 | D54-N95 HydrophobicContact CB-CB 3.82Å; D54-N95 WeakPolarHBondContact OD2-CA 3.24Å; D54-N95 PolarHBondContact OD2-N 2.91Å; Y81-N95 PolarHBondContact OH-O 3.19Å | ||
| 96 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -74.2 | 139.6 | 178.8 | 83.4 | 0 | 0 | 0 | 0 | 110.3 | D54 I62 T94 G98 E99 | D54-V96 HydrophobicContact CB-CB 4.25Å; D54-V96 PolarHBondContact OD2-N 3.03Å; I62-V96 HydrophobicContact CD1-CG1 3.65Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.37Å; T94-V96 PolarHBondContact OG1-N 3.09Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.16Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.33Å | ||
| 97 | D | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -37.6 | -176.3 | 56.4 | -69.8 | 0 | 0 | 0 | 112.5 | Y74 E77 I78 Y81 E99 I100 M248 | Y74-D97 PolarHBondContact OH-OD1 2.96Å; Y74-D97 PolarHBondContact OH-OD2 3.49Å; E77-D97 WeakPolarHBondContact CA-OD2 3.36Å; I78-D97 HydrophobicContact CB-CB 4.39Å; I78-D97 PolarHBondContact N-OD2 2.93Å; Y81-D97 WeakPolarHBondContact CB-O 3.43Å; Y81-D97 HydrophobicContact CD1-CB 3.47Å; Y81-D97 VanDerWaalsContact CD1-CB 3.47Å; Y81-D97 HydrophobicContact CD2-CB 4.24Å; Y81-D97 HydrophobicContact CE1-CB 3.75Å; Y81-D97 HydrophobicContact CE2-CB 4.47Å; Y81-D97 HydrophobicContact CG-CB 3.7Å; D97-E99 PolarHBondContact O-N 2.93Å; D97-I100 WeakPolarHBondContact O-CG2 3.35Å; D97-I100 PolarHBondContact O-N 3.13Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.25Å |
| 98 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L72 Y74 V96 I100 I101 | L72-G98 WeakPolarHBondContact CD2-O 3.3Å; Y74-G98 VanDerWaalsContact CZ-CA 3.4Å; Y74-G98 WeakPolarHBondContact OH-CA 3.5Å; Y74-G98 PolarHBondContact OH-N 2.8Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.16Å; G98-I100 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact O-N 3.16Å; G98-I101 WeakPolarHBondContact O-CB 3.45Å; G98-I101 PolarHBondContact O-N 3.41Å; G98-I101 VanDerWaalsContact O-N 3.08Å |
| 99 | E | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -27.6 | 174.9 | -175.7 | 175.4 | 155.5 | 0 | 0 | 111.6 | V64 Y92 Q93 T94 V96 D97 I101 L102 H103 | V64-E99 HydrophobicContact CG1-CG 4.15Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.45Å; Y92-E99 HydrophobicContact CD2-CB 4Å; Y92-E99 HydrophobicContact CD2-CG 4.12Å; Y92-E99 HydrophobicContact CE2-CB 3.93Å; Y92-E99 HydrophobicContact CE2-CG 4.31Å; Y92-E99 HydrophobicContact CG-CG 4.35Å; Q93-E99 PolarHBondContact N-OE1 3.05Å; Q93-E99 PolarHBondContact N-OE2 3.32Å; T94-E99 WeakPolarHBondContact CA-OE2 3.5Å; T94-E99 VanDerWaalsContact CB-OE2 3.25Å; T94-E99 WeakPolarHBondContact CB-OE2 3.29Å; T94-E99 PolarHBondContact N-OE2 3.14Å; T94-E99 PolarHBondContact OG1-OE2 2.66Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.33Å; D97-E99 PolarHBondContact O-N 2.93Å; E99-I101 PolarHBondContact O-N 3.16Å; E99-I101 VanDerWaalsContact O-N 3.11Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 3.3Å; E99-H103 PolarHBondContact O-CD2 3.23Å; E99-H103 PolarHBondContact O-N 3.26Å; E99-H103 IonicContact OE1-CD2 3.19Å; E99-H103 IonicContact OE1-CE1 2.78Å; E99-H103 IonicContact OE1-NE2 3.36Å; E99-H103 PolarHBondContact OE1-NE2 2.89Å |
| 100 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -31.8 | 175.9 | -167.3 | 57.8 | 0 | 0 | 0 | 113.2 | I78 M84 F90 Y92 D97 G98 L102 H103 L104 L117 | I78-I100 HydrophobicContact CB-CG2 4.18Å; I78-I100 HydrophobicContact CG1-CG2 4.32Å; I78-I100 HydrophobicContact CG2-CG2 3.77Å; M84-I100 HydrophobicContact CB-CD1 3.61Å; M84-I100 HydrophobicContact CB-CG1 3.95Å; F90-I100 HydrophobicContact CD2-CD1 3.71Å; F90-I100 HydrophobicContact CE2-CD1 3.9Å; Y92-I100 WeakPolarHBondContact OH-CA 3.38Å; Y92-I100 WeakPolarHBondContact OH-CB 3.46Å; Y92-I100 WeakPolarHBondContact OH-CD1 3.27Å; Y92-I100 WeakPolarHBondContact OH-CG1 3.35Å; Y92-I100 PolarHBondContact OH-N 2.82Å; D97-I100 WeakPolarHBondContact O-CG2 3.35Å; D97-I100 PolarHBondContact O-N 3.13Å; G98-I100 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact O-N 3.16Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 2.87Å; I100-H103 PolarHBondContact O-N 2.96Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.07Å; I100-L104 HydrophobicContact CG1-CD1 3.76Å; I100-L104 HydrophobicContact CG1-CG 3.99Å; I100-L104 WeakPolarHBondContact O-CB 3.35Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.17Å; I100-L117 HydrophobicContact CG2-CD2 4.35Å |
| 101 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -38.7 | -180 | -62.1 | 172.8 | 0 | 0 | 0 | 109.8 | L72 Y74 I78 G98 E99 Y105 T113 L117 F123 | L72-I101 HydrophobicContact CD1-CG2 4.19Å; L72-I101 HydrophobicContact CD2-CB 3.8Å; L72-I101 HydrophobicContact CD2-CD1 4.23Å; L72-I101 HydrophobicContact CD2-CG2 4.07Å; Y74-I101 HydrophobicContact CD2-CD1 4.38Å; Y74-I101 HydrophobicContact CG-CD1 4.49Å; I78-I101 HydrophobicContact CD1-CD1 4.35Å; I78-I101 HydrophobicContact CG1-CD1 4.36Å; G98-I101 WeakPolarHBondContact O-CB 3.45Å; G98-I101 PolarHBondContact O-N 3.41Å; G98-I101 VanDerWaalsContact O-N 3.08Å; E99-I101 PolarHBondContact O-N 3.16Å; E99-I101 VanDerWaalsContact O-N 3.11Å; I101-Y105 WeakPolarHBondContact O-CB 3.38Å; I101-Y105 PolarHBondContact O-N 3.11Å; I101-T113 HydrophobicContact CG2-CG2 4.11Å; I101-L117 HydrophobicContact CD1-CD1 4.24Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.1Å; I101-F123 HydrophobicContact CD1-CD1 4.49Å |
| 102 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 177.8 | -61.4 | -178.8 | 0 | 0 | 0 | 111.6 | I62 V64 Y67 L70 L72 E99 I100 Y105 D106 L125 | I62-L102 HydrophobicContact CB-CD1 4.43Å; I62-L102 HydrophobicContact CG2-CD1 3.76Å; V64-L102 HydrophobicContact CG1-CD1 4.17Å; V64-L102 HydrophobicContact CG2-CD1 3.95Å; Y67-L102 HydrophobicContact CD2-CB 4.03Å; Y67-L102 HydrophobicContact CE2-CB 4.35Å; L70-L102 HydrophobicContact CB-CD2 3.95Å; L70-L102 HydrophobicContact CD1-CD2 4.16Å; L72-L102 HydrophobicContact CB-CD2 3.71Å; L72-L102 HydrophobicContact CB-CG 4.37Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.09Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 3.3Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 2.87Å; L102-Y105 PolarHBondContact O-N 3.4Å; L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.45Å; L102-L125 HydrophobicContact CD2-CD1 3.75Å |
| 103 | H | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | -179.3 | -68.8 | -82.3 | 0 | 0 | 0 | 112.4 | Y67 F90 E91 Y92 E99 I100 K107 | Y67-H103 AromaticContact CE2-CE1 3.83Å; Y67-H103 AromaticContact CE2-ND1 3.59Å; Y67-H103 AromaticContact CZ-ND1 3.85Å; Y67-H103 PolarHBondContact OH-ND1 3.22Å; F90-H103 HydrophobicContact CB-CB 4.32Å; F90-H103 HydrophobicContact CD1-CB 3.9Å; F90-H103 AromaticContact CD1-ND1 3.97Å; F90-H103 HydrophobicContact CD2-CB 3.61Å; F90-H103 HydrophobicContact CE1-CB 3.99Å; F90-H103 HydrophobicContact CE2-CB 3.7Å; F90-H103 HydrophobicContact CG-CB 3.7Å; F90-H103 AromaticContact CG-CG 3.9Å; F90-H103 AromaticContact CG-ND1 3.98Å; F90-H103 HydrophobicContact CZ-CB 3.88Å; E91-H103 PolarHBondContact O-CE1 3.45Å; Y92-H103 AromaticContact CD1-CD2 3.69Å; Y92-H103 AromaticContact CD1-NE2 3.38Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.23Å; Y92-H103 AromaticContact CE1-CD2 3.38Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.24Å; Y92-H103 AromaticContact CE1-NE2 3.61Å; E99-H103 PolarHBondContact O-CD2 3.23Å; E99-H103 PolarHBondContact O-N 3.26Å; E99-H103 IonicContact OE1-CD2 3.19Å; E99-H103 IonicContact OE1-CE1 2.78Å; E99-H103 IonicContact OE1-NE2 3.36Å; E99-H103 PolarHBondContact OE1-NE2 2.89Å; I100-H103 PolarHBondContact O-N 2.96Å; H103-K107 WeakPolarHBondContact O-CB 3.49Å; H103-K107 PolarHBondContact O-N 3.13Å |
| 104 | L | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 176.1 | -70.9 | 175.5 | 0 | 0 | 0 | 111.4 | M84 F88 F90 I100 K107 G108 T113 M116 L117 | M84-L104 HydrophobicContact CE-CD1 4.21Å; M84-L104 HydrophobicContact CE-CD2 4.17Å; F88-L104 HydrophobicContact CD2-CD2 4.22Å; F88-L104 HydrophobicContact CE2-CD2 4.15Å; F90-L104 HydrophobicContact CE2-CD2 3.98Å; F90-L104 HydrophobicContact CE2-CG 4.4Å; F90-L104 HydrophobicContact CZ-CD2 4.36Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.07Å; I100-L104 HydrophobicContact CG1-CD1 3.76Å; I100-L104 HydrophobicContact CG1-CG 3.99Å; I100-L104 WeakPolarHBondContact O-CB 3.35Å; I100-L104 WeakPolarHBondContact O-CG 3.46Å; I100-L104 PolarHBondContact O-N 3.17Å; L104-K107 PolarHBondContact O-N 2.85Å; L104-G108 PolarHBondContact O-N 3.08Å; L104-T113 HydrophobicContact CB-CG2 3.71Å; L104-T113 WeakPolarHBondContact CB-OG1 3.2Å; L104-T113 HydrophobicContact CD1-CG2 4.4Å; L104-T113 PolarHBondContact O-OG1 2.88Å; L104-M116 HydrophobicContact CD1-CB 4.15Å; L104-M116 HydrophobicContact CD2-CE 4.06Å; L104-M116 HydrophobicContact CD2-SD 4.19Å; L104-L117 HydrophobicContact CD1-CD2 4.08Å |
| 105 | Y | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | -179.8 | 169.9 | -94.6 | 0 | 0 | 0 | 111.5 | L70 I101 L102 K107 G108 G109 I110 T113 L125 D127 F134 | L70-Y105 HydrophobicContact CD1-CD1 3.76Å; L70-Y105 HydrophobicContact CD1-CE1 4.19Å; L70-Y105 HydrophobicContact CD2-CD1 4.02Å; L70-Y105 HydrophobicContact CD2-CE1 3.62Å; I101-Y105 WeakPolarHBondContact O-CB 3.38Å; I101-Y105 PolarHBondContact O-N 3.11Å; L102-Y105 PolarHBondContact O-N 3.4Å; Y105-K107 PolarHBondContact O-N 3.01Å; Y105-G108 PolarHBondContact O-N 3.17Å; Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 3.07Å; Y105-I110 HydrophobicContact CD2-CB 4.29Å; Y105-I110 HydrophobicContact CD2-CD1 4.35Å; Y105-I110 HydrophobicContact CE2-CB 4.38Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.2Å; Y105-T113 PolarHBondContact N-OG1 3.36Å; Y105-L125 HydrophobicContact CD1-CD2 3.95Å; Y105-L125 HydrophobicContact CD2-CD2 3.6Å; Y105-L125 HydrophobicContact CE1-CD2 4.36Å; Y105-L125 HydrophobicContact CE2-CD2 4.04Å; Y105-L125 HydrophobicContact CG-CD2 3.56Å; Y105-D127 HydrophobicContact CE1-CB 4.27Å; Y105-D127 VanDerWaalsContact CE1-OD2 3.31Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.48Å; Y105-D127 PolarHBondContact OH-OD2 3.43Å; Y105-F134 HydrophobicContact CD2-CE2 4.46Å; Y105-F134 AromaticContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CE1 4.38Å; Y105-F134 AromaticContact CE2-CE2 3.38Å; Y105-F134 HydrophobicContact CE2-CE2 3.38Å; Y105-F134 AromaticContact CE2-CZ 3.59Å; Y105-F134 HydrophobicContact CE2-CZ 3.59Å; Y105-F134 AromaticContact CZ-CE2 3.54Å; Y105-F134 AromaticContact CZ-CZ 3.95Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.4Å |
| 106 | D | 98.7 | Very high | 98 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 36% | 0.358 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.7 | -33.2 | 178 | -176.2 | 81.8 | 0 | 0 | 0 | 111.9 | Y67 Y69 L102 | Y67-D106 HydrophobicContact CD1-CB 4Å; Y67-D106 HydrophobicContact CE1-CB 3.57Å; Y67-D106 WeakPolarHBondContact CE1-OD2 3.43Å; Y67-D106 HydrophobicContact CE2-CB 4.49Å; Y69-D106 PolarHBondContact OH-OD1 3.39Å; L102-D106 WeakPolarHBondContact O-CB 3.33Å; L102-D106 PolarHBondContact O-N 3.45Å |
| 107 | K | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 26.2 Ų | 26.2 | 57% | 0.565 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -75.6 | -41.2 | 178.6 | -175.2 | -177.6 | 176.7 | 76.2 | 0 | 113.8 | F88 F90 H103 L104 Y105 | F88-K107 HydrophobicContact CD1-CD 4.13Å; F88-K107 HydrophobicContact CE1-CD 4.45Å; F90-K107 HydrophobicContact CE1-CD 4.19Å; F90-K107 HydrophobicContact CZ-CB 4.44Å; F90-K107 HydrophobicContact CZ-CD 3.79Å; H103-K107 WeakPolarHBondContact O-CB 3.49Å; H103-K107 PolarHBondContact O-N 3.13Å; L104-K107 PolarHBondContact O-N 2.85Å; Y105-K107 PolarHBondContact O-N 3.01Å |
| 108 | G | 96.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 24% | 0.237 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -139.7 | 2.2 | -162 | 0 | 0 | 0 | 0 | 0 | 116.2 | L104 Y105 Q112 | L104-G108 PolarHBondContact O-N 3.08Å; Y105-G108 PolarHBondContact O-N 3.17Å; G108-Q112 VanDerWaalsContact O-CD 3.31Å; G108-Q112 WeakPolarHBondContact O-CG 3.47Å; G108-Q112 PolarHBondContact O-OE1 3.22Å |
| 109 | G | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 29% | 0.289 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | 73.6 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y105 T113 | Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 3.07Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.37Å; G109-T113 PolarHBondContact O-OG1 3.28Å |
| 110 | I | 98.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.5 | -40.1 | -167.3 | -166.2 | 62.7 | 0 | 0 | 0 | 113.7 | Y105 T113 I114 F123 L125 F134 Y185 V187 | Y105-I110 HydrophobicContact CD2-CB 4.29Å; Y105-I110 HydrophobicContact CD2-CD1 4.35Å; Y105-I110 HydrophobicContact CE2-CB 4.38Å; I110-T113 WeakPolarHBondContact O-CB 3.36Å; I110-T113 PolarHBondContact O-N 3.35Å; I110-I114 WeakPolarHBondContact O-CG2 3.37Å; I110-I114 PolarHBondContact O-N 2.76Å; I110-F123 HydrophobicContact CD1-CE2 3.88Å; I110-F123 HydrophobicContact CD1-CZ 3.78Å; I110-L125 HydrophobicContact CD1-CD2 4.38Å; I110-F134 HydrophobicContact CB-CD1 3.69Å; I110-F134 HydrophobicContact CB-CE1 3.84Å; I110-F134 HydrophobicContact CB-CG 4.27Å; I110-F134 HydrophobicContact CD1-CB 3.84Å; I110-F134 HydrophobicContact CD1-CD1 4.22Å; I110-F134 HydrophobicContact CD1-CG 3.99Å; I110-F134 HydrophobicContact CG1-CB 4.03Å; I110-F134 HydrophobicContact CG1-CD1 3.66Å; I110-F134 HydrophobicContact CG1-CE1 4.34Å; I110-F134 HydrophobicContact CG1-CG 3.96Å; I110-F134 HydrophobicContact CG2-CD1 3.75Å; I110-F134 HydrophobicContact CG2-CE1 3.71Å; I110-Y185 HydrophobicContact CG1-CD2 4.24Å; I110-Y185 HydrophobicContact CG1-CG 4.46Å; I110-Y185 HydrophobicContact CG2-CD2 3.84Å; I110-Y185 HydrophobicContact CG2-CE2 3.68Å; I110-V187 HydrophobicContact CG2-CG2 4.25Å |
| 111 | E | 96.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 26.7 Ų | 26.7 | 49% | 0.486 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67 | -49.3 | -175.6 | -177.6 | 170.1 | -113.1 | 0 | 0 | 111.6 | T113 I114 C115 Y185 | E111-T113 VanDerWaalsContact C-N 3.25Å; E111-T113 PolarHBondContact O-N 2.97Å; E111-I114 WeakPolarHBondContact O-CG2 3.48Å; E111-I114 PolarHBondContact O-N 2.86Å; E111-C115 WeakPolarHBondContact O-CB 3.42Å; E111-C115 PolarHBondContact O-N 3.23Å; E111-C115 PolarHBondContact O-SG 3.24Å; E111-Y185 HydrophobicContact CB-CE1 4.19Å; E111-Y185 HydrophobicContact CG-CE1 4.16Å; E111-Y185 PolarHBondContact OE1-OH 3.02Å; E111-Y185 VanDerWaalsContact OE1-OH 3.05Å |
| 112 | Q | 94.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 26.7 Ų | 26.7 | 52% | 0.523 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 176.2 | -63.5 | -176.2 | -1.1 | 0 | 0 | 110.6 | G108 M116 | G108-Q112 VanDerWaalsContact O-CD 3.31Å; G108-Q112 WeakPolarHBondContact O-CG 3.47Å; G108-Q112 PolarHBondContact O-OE1 3.22Å; Q112-M116 WeakPolarHBondContact O-CB 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.39Å; Q112-M116 PolarHBondContact O-N 3.46Å; Q112-M116 VanDerWaalsContact O-SD 3.34Å |
| 113 | T | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -56.5 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | I101 L104 Y105 G109 I110 E111 C115 M116 L117 | I101-T113 HydrophobicContact CG2-CG2 4.11Å; L104-T113 HydrophobicContact CB-CG2 3.71Å; L104-T113 WeakPolarHBondContact CB-OG1 3.2Å; L104-T113 HydrophobicContact CD1-CG2 4.4Å; L104-T113 PolarHBondContact O-OG1 2.88Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.2Å; Y105-T113 PolarHBondContact N-OG1 3.36Å; G109-T113 WeakPolarHBondContact O-CB 3.49Å; G109-T113 PolarHBondContact O-N 3.37Å; G109-T113 PolarHBondContact O-OG1 3.28Å; I110-T113 WeakPolarHBondContact O-CB 3.36Å; I110-T113 PolarHBondContact O-N 3.35Å; E111-T113 VanDerWaalsContact C-N 3.25Å; E111-T113 PolarHBondContact O-N 2.97Å; T113-C115 VanDerWaalsContact C-N 3.31Å; T113-C115 PolarHBondContact O-N 2.78Å; T113-M116 WeakPolarHBondContact O-CB 2.75Å; T113-M116 PolarHBondContact O-N 2.82Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å |
| 114 | I | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -34.8 | -171.2 | -160.9 | 171.1 | 0 | 0 | 0 | 112 | I110 E111 M116 L117 F121 F123 Y185 Y204 | I110-I114 WeakPolarHBondContact O-CG2 3.37Å; I110-I114 PolarHBondContact O-N 2.76Å; E111-I114 WeakPolarHBondContact O-CG2 3.48Å; E111-I114 PolarHBondContact O-N 2.86Å; I114-M116 PolarHBondContact O-N 3.3Å; I114-L117 PolarHBondContact O-N 2.99Å; I114-F121 HydrophobicContact CD1-CE2 3.97Å; I114-F121 HydrophobicContact CD1-CZ 4.4Å; I114-F121 HydrophobicContact CG1-CE2 3.78Å; I114-F121 HydrophobicContact CG1-CZ 3.77Å; I114-F123 HydrophobicContact CD1-CE1 4.01Å; I114-F123 HydrophobicContact CD1-CZ 4.11Å; I114-F123 HydrophobicContact CG1-CE1 4.24Å; I114-Y185 HydrophobicContact CG2-CD1 3.81Å; I114-Y185 HydrophobicContact CG2-CE1 4.33Å; I114-Y204 HydrophobicContact CD1-CD1 3.63Å; I114-Y204 HydrophobicContact CD1-CE1 3.42Å; I114-Y204 VanDerWaalsContact CD1-CE1 3.42Å; I114-Y204 HydrophobicContact CD1-CG 4.42Å; I114-Y204 HydrophobicContact CG1-CD1 3.97Å; I114-Y204 HydrophobicContact CG1-CD2 4.44Å; I114-Y204 HydrophobicContact CG1-CE1 3.68Å; I114-Y204 HydrophobicContact CG1-CE2 4.22Å; I114-Y204 HydrophobicContact CG1-CG 4.35Å; I114-Y204 HydrophobicContact CG2-CD1 4Å; I114-Y204 HydrophobicContact CG2-CD2 4.06Å; I114-Y204 HydrophobicContact CG2-CG 3.74Å |
| 115 | C | 96.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 26.3 Ų | 26.3 | 17% | 0.169 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -20.4 | 174.9 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | E111 T113 L212 | E111-C115 WeakPolarHBondContact O-CB 3.42Å; E111-C115 PolarHBondContact O-N 3.23Å; E111-C115 PolarHBondContact O-SG 3.24Å; T113-C115 VanDerWaalsContact C-N 3.31Å; T113-C115 PolarHBondContact O-N 2.78Å; C115-L212 HydrophobicContact CB-CB 4.11Å; C115-L212 HydrophobicContact CB-CD2 3.77Å |
| 116 | M | 96.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 7% | 0.069 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.3 | -178.5 | -73.6 | 171.9 | 89.7 | 0 | 0 | 113.9 | N80 M84 F88 L104 Q112 T113 I114 D118 L212 H213 Y216 | N80-M116 PolarHBondContact ND2-O 2.86Å; M84-M116 HydrophobicContact CE-CB 3.68Å; M84-M116 HydrophobicContact CE-CE 3.27Å; M84-M116 HydrophobicContact CE-CG 4.14Å; M84-M116 HydrophobicContact CE-SD 4.27Å; F88-M116 HydrophobicContact CE2-CE 3.47Å; F88-M116 VanDerWaalsContact CE2-CE 3.47Å; F88-M116 HydrophobicContact CZ-CE 3.43Å; F88-M116 VanDerWaalsContact CZ-CE 3.43Å; L104-M116 HydrophobicContact CD1-CB 4.15Å; L104-M116 HydrophobicContact CD2-CE 4.06Å; L104-M116 HydrophobicContact CD2-SD 4.19Å; Q112-M116 WeakPolarHBondContact O-CB 3.27Å; Q112-M116 WeakPolarHBondContact O-CG 3.39Å; Q112-M116 PolarHBondContact O-N 3.46Å; Q112-M116 VanDerWaalsContact O-SD 3.34Å; T113-M116 WeakPolarHBondContact O-CB 2.75Å; T113-M116 PolarHBondContact O-N 2.82Å; I114-M116 PolarHBondContact O-N 3.3Å; M116-D118 PolarHBondContact O-N 2.76Å; M116-L212 HydrophobicContact CG-CD2 4.38Å; M116-H213 WeakPolarHBondContact O-CB 3.33Å; M116-Y216 HydrophobicContact CE-CD2 4.32Å; M116-Y216 HydrophobicContact CE-CE2 3.57Å |
| 117 | L | 97.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -84.7 | 111.8 | -178.1 | -55 | -177.8 | 0 | 0 | 0 | 111.1 | I78 I100 I101 L104 T113 I114 G119 F121 | I78-L117 HydrophobicContact CD1-CB 4.36Å; I78-L117 HydrophobicContact CD1-CD1 4.19Å; I78-L117 HydrophobicContact CD1-CD2 4.45Å; I78-L117 HydrophobicContact CG2-CB 4.48Å; I78-L117 HydrophobicContact CG2-CD2 3.94Å; I100-L117 HydrophobicContact CG2-CD2 4.35Å; I101-L117 HydrophobicContact CD1-CD1 4.24Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.1Å; L104-L117 HydrophobicContact CD1-CD2 4.08Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å; I114-L117 PolarHBondContact O-N 2.99Å; L117-G119 PolarHBondContact O-N 2.95Å; L117-F121 HydrophobicContact CB-CD1 4.19Å; L117-F121 HydrophobicContact CB-CE1 3.48Å; L117-F121 VanDerWaalsContact CB-CE1 3.48Å; L117-F121 HydrophobicContact CB-CZ 4.02Å; L117-F121 HydrophobicContact CD1-CD1 4.04Å; L117-F121 HydrophobicContact CD1-CD2 4.42Å; L117-F121 HydrophobicContact CD1-CE1 3.68Å; L117-F121 HydrophobicContact CD1-CE2 4.08Å; L117-F121 HydrophobicContact CD1-CG 4.41Å; L117-F121 HydrophobicContact CD1-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE1 4.2Å; L117-F121 HydrophobicContact CG-CZ 4.42Å | ||
| 118 | D | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | trans | -91 | 91.9 | 166.6 | -172 | 15.1 | 0 | 0 | 0 | 108.6 | Y79 N80 M116 H213 K245 H423 | Y79-D118 WeakPolarHBondContact CB-O 3.34Å; Y79-D118 PolarHBondContact N-O 2.97Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.45Å; N80-D118 PolarHBondContact OD1-N 3.26Å; M116-D118 PolarHBondContact O-N 2.76Å; D118-H213 VanDerWaalsContact CB-CE1 3.42Å; D118-H213 WeakPolarHBondContact CB-CE1 3.4Å; D118-H213 IonicContact OD1-CE1 3.51Å; D118-H213 PolarHBondContact OD1-CE1 2.73Å; D118-H213 IonicContact OD1-NE2 3.54Å; D118-H213 IonicContact OD2-CE1 3.88Å; D118-K245 IonicContact OD1-NZ 3.59Å; D118-K245 WeakPolarHBondContact OD2-CD 3.5Å; D118-K245 WeakPolarHBondContact OD2-CE 3.15Å; D118-K245 IonicContact OD2-NZ 2.99Å; D118-K245 PolarHBondContact OD2-NZ 3.29Å; D118-H423 IonicContact OD1-ND1 3.57Å | ||
| 119 | G | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -179.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E77 L117 H423 | E77-G119 WeakPolarHBondContact O-CA 3.09Å; L117-G119 PolarHBondContact O-N 2.95Å; G119-H423 PolarHBondContact O-CE1 2.73Å |
| 120 | V | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.2 | 172.2 | -63.9 | 0 | 0 | 0 | 0 | 107.5 | G76 E77 V142 R143 | G76-V120 CarbonylContact C-O 3.48Å; G76-V120 WeakPolarHBondContact CA-O 3.08Å; E77-V120 HydrophobicContact CB-CG2 4.45Å; E77-V120 PolarHBondContact N-O 3.1Å; E77-V120 PolarHBondContact O-N 2.89Å; E77-V120 VanDerWaalsContact O-N 3.09Å; V120-V142 HydrophobicContact CB-CB 3.87Å; V120-V142 HydrophobicContact CB-CG1 3.98Å; V120-V142 HydrophobicContact CG1-CB 3.61Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.83Å; V120-V142 HydrophobicContact CG2-CG1 4.37Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.09Å |
| 121 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 147 | -170.7 | 55.7 | -94.7 | 0 | 0 | 0 | 112.6 | N75 I78 I114 L117 F123 R137 D138 | N75-F121 CarbonylContact O-C 3.59Å; N75-F121 WeakPolarHBondContact O-CA 3.26Å; I78-F121 HydrophobicContact CD1-CB 4.11Å; I78-F121 HydrophobicContact CD1-CD1 3.67Å; I78-F121 HydrophobicContact CD1-CE1 4.49Å; I78-F121 HydrophobicContact CD1-CG 4.16Å; I114-F121 HydrophobicContact CD1-CE2 3.97Å; I114-F121 HydrophobicContact CD1-CZ 4.4Å; I114-F121 HydrophobicContact CG1-CE2 3.78Å; I114-F121 HydrophobicContact CG1-CZ 3.77Å; L117-F121 HydrophobicContact CB-CD1 4.19Å; L117-F121 HydrophobicContact CB-CE1 3.48Å; L117-F121 VanDerWaalsContact CB-CE1 3.48Å; L117-F121 HydrophobicContact CB-CZ 4.02Å; L117-F121 HydrophobicContact CD1-CD1 4.04Å; L117-F121 HydrophobicContact CD1-CD2 4.42Å; L117-F121 HydrophobicContact CD1-CE1 3.68Å; L117-F121 HydrophobicContact CD1-CE2 4.08Å; L117-F121 HydrophobicContact CD1-CG 4.41Å; L117-F121 HydrophobicContact CD1-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE1 4.2Å; L117-F121 HydrophobicContact CG-CZ 4.42Å; F121-F123 AromaticContact CD2-CD1 3.63Å; F121-F123 HydrophobicContact CD2-CD1 3.63Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CE2-CD1 4.07Å; F121-F123 AromaticContact CE2-CE1 3.81Å; F121-F123 HydrophobicContact CE2-CE1 3.81Å; F121-R137 CarbonylContact O-C 3.59Å; F121-R137 WeakPolarHBondContact O-CA 3.24Å; F121-D138 HydrophobicContact CD1-CB 4.05Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.04Å; F121-D138 HydrophobicContact CE2-CB 4.45Å; F121-D138 HydrophobicContact CG-CB 4.26Å; F121-D138 HydrophobicContact CZ-CB 4.25Å; F121-D138 PolarHBondContact N-OD2 3.34Å; F121-D138 PolarHBondContact O-N 3.33Å |
| 122 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | I4 Y74 N75 G136 R143 P144 L145 | I4-A122 HydrophobicContact CD1-CB 4.35Å; Y74-A122 CarbonylContact C-O 3.02Å; Y74-A122 WeakPolarHBondContact CA-O 3.42Å; N75-A122 PolarHBondContact N-O 2.66Å; N75-A122 PolarHBondContact O-N 3.4Å; A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.39Å; A122-R143 HydrophobicContact CB-CB 4.11Å; A122-P144 VanDerWaalsContact CB-O 3.24Å; A122-P144 WeakPolarHBondContact CB-O 3.25Å; A122-L145 HydrophobicContact CB-CB 3.9Å |
| 123 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 156.8 | -178.8 | 71.6 | -103.5 | 0 | 0 | 0 | 113.5 | L72 C73 I101 I110 I114 F121 L125 F134 L135 G136 | L72-F123 HydrophobicContact CD1-CB 3.99Å; L72-F123 HydrophobicContact CD1-CD2 4.39Å; L72-F123 HydrophobicContact CD1-CG 4.4Å; C73-F123 CarbonylContact O-C 3.51Å; C73-F123 VanDerWaalsContact O-CA 3.27Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; I101-F123 HydrophobicContact CD1-CD1 4.49Å; I110-F123 HydrophobicContact CD1-CE2 3.88Å; I110-F123 HydrophobicContact CD1-CZ 3.78Å; I114-F123 HydrophobicContact CD1-CE1 4.01Å; I114-F123 HydrophobicContact CD1-CZ 4.11Å; I114-F123 HydrophobicContact CG1-CE1 4.24Å; F121-F123 AromaticContact CD2-CD1 3.63Å; F121-F123 HydrophobicContact CD2-CD1 3.63Å; F121-F123 AromaticContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CD2-CE1 3.89Å; F121-F123 HydrophobicContact CE2-CD1 4.07Å; F121-F123 AromaticContact CE2-CE1 3.81Å; F121-F123 HydrophobicContact CE2-CE1 3.81Å; F123-L125 HydrophobicContact CD2-CB 4.18Å; F123-L125 HydrophobicContact CE2-CB 4.3Å; F123-F134 HydrophobicContact CE2-CB 4.39Å; F123-L135 WeakPolarHBondContact O-CA 3.28Å; F123-G136 PolarHBondContact N-O 3.46Å; F123-G136 PolarHBondContact O-N 3.41Å; F123-G136 VanDerWaalsContact O-N 3.11Å |
| 124 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.1 | 161.8 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | A6 F8 F45 C73 V133 F134 L135 V157 | A6-V124 HydrophobicContact CB-CG1 4.1Å; F8-V124 HydrophobicContact CE2-CG2 3.85Å; F8-V124 HydrophobicContact CZ-CG2 3.77Å; F45-V124 HydrophobicContact CD1-CG1 4.16Å; F45-V124 HydrophobicContact CE1-CG1 3.84Å; F45-V124 HydrophobicContact CE1-CG2 4.06Å; C73-V124 HydrophobicContact CB-CG1 3.78Å; C73-V124 PolarHBondContact N-O 3.08Å; C73-V124 PolarHBondContact O-N 3.5Å; V124-V133 HydrophobicContact CG2-CG1 4.14Å; V124-F134 CarbonylContact C-O 3.56Å; V124-F134 WeakPolarHBondContact CA-O 3.38Å; V124-L135 HydrophobicContact CB-CD2 3.91Å; V124-L135 HydrophobicContact CG2-CD2 3.8Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG2 4.35Å; V124-V157 HydrophobicContact CG2-CG2 4.35Å |
| 125 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.2 | 177.1 | 172.6 | 68 | 0 | 0 | 0 | 108.7 | W71 L72 L102 Y105 I110 F123 V133 F134 | W71-L125 WeakPolarHBondContact O-CA 3.31Å; L72-L125 HydrophobicContact CB-CD1 4.13Å; L72-L125 HydrophobicContact CD1-CB 4.27Å; L72-L125 HydrophobicContact CD1-CD1 4.48Å; L102-L125 HydrophobicContact CD2-CD1 3.75Å; Y105-L125 HydrophobicContact CD1-CD2 3.95Å; Y105-L125 HydrophobicContact CD2-CD2 3.6Å; Y105-L125 HydrophobicContact CE1-CD2 4.36Å; Y105-L125 HydrophobicContact CE2-CD2 4.04Å; Y105-L125 HydrophobicContact CG-CD2 3.56Å; I110-L125 HydrophobicContact CD1-CD2 4.38Å; F123-L125 HydrophobicContact CD2-CB 4.18Å; F123-L125 HydrophobicContact CE2-CB 4.3Å; L125-V133 CarbonylContact O-C 2.79Å; L125-V133 WeakPolarHBondContact O-CA 3.44Å; L125-F134 HydrophobicContact CB-CB 4.27Å; L125-F134 HydrophobicContact CB-CD2 4.4Å; L125-F134 HydrophobicContact CD2-CD2 4.05Å; L125-F134 HydrophobicContact CG-CD2 4.18Å; L125-F134 PolarHBondContact N-O 3.01Å; L125-F134 PolarHBondContact O-N 3.39Å |
| 126 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.8 | 173.2 | 161.6 | 69.4 | 0 | 0 | 0 | 109.6 | F8 V37 F45 L70 W71 T128 V133 L190 | F8-L126 HydrophobicContact CE1-CB 4.21Å; F8-L126 HydrophobicContact CE1-CD1 4.2Å; F8-L126 HydrophobicContact CE1-CD2 4.24Å; F8-L126 HydrophobicContact CE1-CG 4.45Å; V37-L126 HydrophobicContact CB-CD2 4.32Å; V37-L126 HydrophobicContact CG1-CD2 3.85Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; F45-L126 HydrophobicContact CE2-CB 4.49Å; F45-L126 HydrophobicContact CE2-CD2 3.95Å; F45-L126 HydrophobicContact CZ-CB 3.85Å; F45-L126 HydrophobicContact CZ-CD2 4.1Å; L70-L126 WeakPolarHBondContact CA-O 3.3Å; W71-L126 HydrophobicContact CB-CB 4.19Å; W71-L126 HydrophobicContact CB-CD2 4.4Å; W71-L126 HydrophobicContact CG-CD2 4.29Å; W71-L126 PolarHBondContact N-O 3.49Å; W71-L126 PolarHBondContact O-N 2.99Å; L126-T128 HydrophobicContact CD1-CG2 4Å; L126-T128 HydrophobicContact CD2-CG2 3.86Å; L126-T128 HydrophobicContact CG-CG2 3.89Å; L126-V133 HydrophobicContact CD1-CG2 3.98Å; L126-L190 HydrophobicContact CD1-CD2 3.73Å |
| 127 | D | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 105.1 | 169.9 | -174.3 | -20.6 | 0 | 0 | 0 | 109.9 | L70 Y105 A129 N130 K131 K132 F134 | L70-D127 HydrophobicContact CD2-CB 3.68Å; Y105-D127 HydrophobicContact CE1-CB 4.27Å; Y105-D127 VanDerWaalsContact CE1-OD2 3.31Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.48Å; Y105-D127 PolarHBondContact OH-OD2 3.43Å; D127-A129 WeakPolarHBondContact OD1-CB 3.45Å; D127-A129 PolarHBondContact OD1-N 3.25Å; D127-N130 PolarHBondContact OD1-N 2.8Å; D127-N130 WeakPolarHBondContact OD2-CB 3.48Å; D127-N130 PolarHBondContact OD2-OD1 2.78Å; D127-K131 WeakPolarHBondContact O-CA 3.44Å; D127-K131 PolarHBondContact O-N 3.35Å; D127-K132 HydrophobicContact CB-CB 4.49Å; D127-K132 PolarHBondContact N-O 3.14Å; D127-K132 PolarHBondContact O-N 3.33Å; D127-F134 HydrophobicContact CB-CE2 4.36Å |
| 128 | T | 98.7 | Very high | 98.7 | Very high | 26 Ų | 26 | 17.1 Ų | 17.1 | 16% | 0.16 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -16.4 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | V37 Y40 Y69 L126 K131 | V37-T128 HydrophobicContact CG1-CG2 3.86Å; Y40-T128 HydrophobicContact CD2-CG2 4.23Å; Y40-T128 HydrophobicContact CE2-CG2 4.34Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.32Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.36Å; Y69-T128 PolarHBondContact O-N 3.45Å; Y69-T128 PolarHBondContact O-OG1 3.24Å; L126-T128 HydrophobicContact CD1-CG2 4Å; L126-T128 HydrophobicContact CD2-CG2 3.86Å; L126-T128 HydrophobicContact CG-CG2 3.89Å; T128-K131 WeakPolarHBondContact O-CD 3.24Å; T128-K131 VanDerWaalsContact O-CE 3.25Å; T128-K131 WeakPolarHBondContact O-CE 3.48Å; T128-K131 PolarHBondContact O-NZ 2.84Å |
| 129 | A | 98.4 | Very high | 98.7 | Very high | 56 Ų | 56 | 17.4 Ų | 17.4 | 46% | 0.463 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -50.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y69 D127 K131 | Y69-A129 HydrophobicContact CD1-CB 4.24Å; Y69-A129 HydrophobicContact CD2-CB 3.75Å; Y69-A129 HydrophobicContact CE2-CB 4.42Å; Y69-A129 HydrophobicContact CG-CB 3.67Å; D127-A129 WeakPolarHBondContact OD1-CB 3.45Å; D127-A129 PolarHBondContact OD1-N 3.25Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 3.33Å |
| 130 | N | 98.6 | Very high | 98.8 | Very high | 105 Ų | 105 | 17.6 Ų | 17.6 | 56% | 0.561 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.5 | -179.4 | -65.3 | 74.2 | 0 | 0 | 0 | 113.7 | D127 K132 | D127-N130 PolarHBondContact OD1-N 2.8Å; D127-N130 WeakPolarHBondContact OD2-CB 3.48Å; D127-N130 PolarHBondContact OD2-OD1 2.78Å; N130-K132 HydrophobicContact CB-CG 4.38Å |
| 131 | K | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 17.3 Ų | 17.3 | 38% | 0.383 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 50.5 | 177.9 | -50.1 | -58.2 | 178.3 | -168.3 | 0 | 111.7 | Y40 D127 T128 A129 L190 | Y40-K131 VanDerWaalsContact OH-CD 3.27Å; Y40-K131 WeakPolarHBondContact OH-CD 3.38Å; Y40-K131 WeakPolarHBondContact OH-CE 3.28Å; Y40-K131 PolarHBondContact OH-NZ 3.19Å; D127-K131 WeakPolarHBondContact O-CA 3.44Å; D127-K131 PolarHBondContact O-N 3.35Å; T128-K131 WeakPolarHBondContact O-CD 3.24Å; T128-K131 VanDerWaalsContact O-CE 3.25Å; T128-K131 WeakPolarHBondContact O-CE 3.48Å; T128-K131 PolarHBondContact O-NZ 2.84Å; A129-K131 VanDerWaalsContact C-N 3.31Å; A129-K131 PolarHBondContact O-N 3.33Å; K131-L190 HydrophobicContact CB-CB 4.32Å; K131-L190 PolarHBondContact O-N 3.38Å |
| 132 | K | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 17.4 Ų | 17.4 | 23% | 0.23 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.9 | -178.4 | -62.9 | -65.3 | -175.4 | 170.2 | 0 | 112.2 | D127 N130 F134 V187 L188 D189 | D127-K132 HydrophobicContact CB-CB 4.49Å; D127-K132 PolarHBondContact N-O 3.14Å; D127-K132 PolarHBondContact O-N 3.33Å; N130-K132 HydrophobicContact CB-CG 4.38Å; K132-F134 HydrophobicContact CB-CD2 4.27Å; K132-F134 HydrophobicContact CB-CE1 4.24Å; K132-F134 HydrophobicContact CB-CE2 3.4Å; K132-F134 HydrophobicContact CB-CZ 3.39Å; K132-F134 HydrophobicContact CG-CE2 4.32Å; K132-F134 HydrophobicContact CG-CZ 3.86Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; K132-L188 CarbonylContact C-O 3.48Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.21Å; K132-D189 WeakPolarHBondContact CE-OD1 3.02Å; K132-D189 IonicContact NZ-OD1 2.65Å; K132-D189 PolarHBondContact NZ-OD1 3.16Å |
| 133 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135 | 164.6 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | F8 V124 L125 L126 L155 L188 V196 | F8-V133 HydrophobicContact CD1-CG2 3.66Å; F8-V133 HydrophobicContact CD2-CG1 4.37Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.05Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.82Å; F8-V133 HydrophobicContact CG-CG2 4.28Å; F8-V133 HydrophobicContact CZ-CG1 3.64Å; F8-V133 HydrophobicContact CZ-CG2 3.99Å; V124-V133 HydrophobicContact CG2-CG1 4.14Å; L125-V133 CarbonylContact O-C 2.79Å; L125-V133 WeakPolarHBondContact O-CA 3.44Å; L126-V133 HydrophobicContact CD1-CG2 3.98Å; V133-L155 HydrophobicContact CG1-CD2 4.36Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 HydrophobicContact CB-CD1 4.45Å; V133-L188 HydrophobicContact CG1-CD1 4.45Å; V133-L188 PolarHBondContact N-O 3.26Å; V133-L188 PolarHBondContact O-N 2.92Å; V133-V196 HydrophobicContact CG2-CG1 4.01Å |
| 134 | F | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.2 | 177.7 | -52.9 | -86.4 | 0 | 0 | 0 | 109.9 | Y105 I110 F123 V124 L125 D127 K132 E186 V187 | Y105-F134 HydrophobicContact CD2-CE2 4.46Å; Y105-F134 AromaticContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CD2 4Å; Y105-F134 HydrophobicContact CE2-CE1 4.38Å; Y105-F134 AromaticContact CE2-CE2 3.38Å; Y105-F134 HydrophobicContact CE2-CE2 3.38Å; Y105-F134 AromaticContact CE2-CZ 3.59Å; Y105-F134 HydrophobicContact CE2-CZ 3.59Å; Y105-F134 AromaticContact CZ-CE2 3.54Å; Y105-F134 AromaticContact CZ-CZ 3.95Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.4Å; I110-F134 HydrophobicContact CB-CD1 3.69Å; I110-F134 HydrophobicContact CB-CE1 3.84Å; I110-F134 HydrophobicContact CB-CG 4.27Å; I110-F134 HydrophobicContact CD1-CB 3.84Å; I110-F134 HydrophobicContact CD1-CD1 4.22Å; I110-F134 HydrophobicContact CD1-CG 3.99Å; I110-F134 HydrophobicContact CG1-CB 4.03Å; I110-F134 HydrophobicContact CG1-CD1 3.66Å; I110-F134 HydrophobicContact CG1-CE1 4.34Å; I110-F134 HydrophobicContact CG1-CG 3.96Å; I110-F134 HydrophobicContact CG2-CD1 3.75Å; I110-F134 HydrophobicContact CG2-CE1 3.71Å; F123-F134 HydrophobicContact CE2-CB 4.39Å; V124-F134 CarbonylContact C-O 3.56Å; V124-F134 WeakPolarHBondContact CA-O 3.38Å; L125-F134 HydrophobicContact CB-CB 4.27Å; L125-F134 HydrophobicContact CB-CD2 4.4Å; L125-F134 HydrophobicContact CD2-CD2 4.05Å; L125-F134 HydrophobicContact CG-CD2 4.18Å; L125-F134 PolarHBondContact N-O 3.01Å; L125-F134 PolarHBondContact O-N 3.39Å; D127-F134 HydrophobicContact CB-CE2 4.36Å; K132-F134 HydrophobicContact CB-CD2 4.27Å; K132-F134 HydrophobicContact CB-CE1 4.24Å; K132-F134 HydrophobicContact CB-CE2 3.4Å; K132-F134 HydrophobicContact CB-CZ 3.39Å; K132-F134 HydrophobicContact CG-CE2 4.32Å; K132-F134 HydrophobicContact CG-CZ 3.86Å; F134-E186 VanDerWaalsContact CA-O 3.3Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; F134-V187 HydrophobicContact CD1-CB 4.38Å; F134-V187 HydrophobicContact CD1-CG1 4.24Å; F134-V187 HydrophobicContact CD1-CG2 3.97Å; F134-V187 HydrophobicContact CE1-CB 4.36Å; F134-V187 HydrophobicContact CE1-CG1 3.8Å; F134-V187 HydrophobicContact CE1-CG2 3.98Å |
| 135 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.2 | 168.3 | -53.1 | -178.5 | 0 | 0 | 0 | 108.2 | F123 V124 L145 K147 V157 F180 Y185 E186 L188 | F123-L135 WeakPolarHBondContact O-CA 3.28Å; V124-L135 HydrophobicContact CB-CD2 3.91Å; V124-L135 HydrophobicContact CG2-CD2 3.8Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L135-K147 HydrophobicContact CD1-CD 4.43Å; L135-V157 HydrophobicContact CD1-CG1 3.73Å; L135-V157 HydrophobicContact CD2-CB 4.5Å; L135-V157 HydrophobicContact CD2-CG1 3.8Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L135-V157 HydrophobicContact CG-CG1 4.44Å; L135-F180 HydrophobicContact CB-CD2 4.15Å; L135-F180 HydrophobicContact CB-CE2 3.52Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CD2 4.01Å; L135-F180 HydrophobicContact CD1-CE2 3.88Å; L135-F180 HydrophobicContact CG-CE2 4.34Å; L135-Y185 CarbonylContact O-C 3.37Å; L135-Y185 WeakPolarHBondContact O-CA 3.44Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.23Å; L135-E186 HydrophobicContact CB-CB 4.34Å; L135-E186 PolarHBondContact N-O 3.17Å; L135-E186 PolarHBondContact O-N 3.07Å; L135-L188 HydrophobicContact CD1-CD1 4.4Å; L135-L188 HydrophobicContact CG-CD1 4.18Å |
| 136 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 145.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A122 F123 | A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.39Å; F123-G136 PolarHBondContact N-O 3.46Å; F123-G136 PolarHBondContact O-N 3.41Å; F123-G136 VanDerWaalsContact O-N 3.11Å |
| 137 | R | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.8 | -179.8 | -168.6 | 177.3 | -177 | -172.1 | -8 | 111.2 | F121 G141 R143 F180 G183 H184 Y204 | F121-R137 CarbonylContact O-C 3.59Å; F121-R137 WeakPolarHBondContact O-CA 3.24Å; R137-G141 PolarHBondContact NH2-O 3.13Å; R137-R143 PolarHBondContact NE-O 3.32Å; R137-F180 HydrophobicContact CB-CD1 3.72Å; R137-F180 HydrophobicContact CB-CE1 4.01Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 2.94Å; R137-G183 WeakPolarHBondContact O-CA 3.43Å; R137-G183 PolarHBondContact O-N 3.49Å; R137-H184 PolarHBondContact N-O 3.3Å; R137-H184 VanDerWaalsContact N-O 3.12Å; R137-Y204 WeakPolarHBondContact O-CE1 3.38Å |
| 138 | D | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | -59.4 | 160.9 | -176.8 | 69.1 | 78 | 0 | 0 | 0 | 113.9 | F121 Y140 G141 V142 R143 G183 Y204 | F121-D138 HydrophobicContact CD1-CB 4.05Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.04Å; F121-D138 HydrophobicContact CE2-CB 4.45Å; F121-D138 HydrophobicContact CG-CB 4.26Å; F121-D138 HydrophobicContact CZ-CB 4.25Å; F121-D138 PolarHBondContact N-OD2 3.34Å; F121-D138 PolarHBondContact O-N 3.33Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.8Å; D138-Y140 PolarHBondContact OD1-N 3.36Å; D138-G141 PolarHBondContact O-N 2.88Å; D138-G141 WeakPolarHBondContact OD1-CA 3.3Å; D138-G141 PolarHBondContact OD1-N 3.05Å; D138-V142 PolarHBondContact OD1-N 2.83Å; D138-V142 PolarHBondContact OD2-N 2.97Å; D138-R143 PolarHBondContact OD2-N 3.24Å; D138-G183 PolarHBondContact O-N 3.47Å; D138-Y204 WeakPolarHBondContact CA-OH 3.26Å | ||
| 139 | T | 97.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -47.9 | -169.9 | -68.2 | 0 | 0 | 0 | 0 | 113.9 | P182 Y204 H205 | T139-P182 WeakPolarHBondContact O-CB 3.32Å; T139-Y204 PolarHBondContact N-OH 3.45Å; T139-H205 WeakPolarHBondContact CG2-ND1 3.34Å; T139-H205 PolarHBondContact OG1-ND1 2.72Å |
| 140 | Y | 98.4 | Very high | 98.6 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 0.4 | -174.9 | -60.2 | -69.3 | 0 | 0 | 0 | 112.6 | D138 V142 C207 L394 L421 S426 | D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 2.8Å; D138-Y140 PolarHBondContact OD1-N 3.36Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; Y140-C207 HydrophobicContact CE1-CB 3.78Å; Y140-L394 HydrophobicContact CD1-CB 4.38Å; Y140-L394 HydrophobicContact CD1-CD2 4.41Å; Y140-L394 HydrophobicContact CE1-CB 4.19Å; Y140-L394 HydrophobicContact CE1-CD1 4.44Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; Y140-L421 HydrophobicContact CD1-CD2 4.43Å; Y140-L421 HydrophobicContact CD2-CB 3.89Å; Y140-L421 HydrophobicContact CD2-CD2 4.27Å; Y140-L421 HydrophobicContact CE2-CB 4.36Å; Y140-L421 WeakPolarHBondContact CE2-O 3.48Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.2Å; Y140-S426 VanDerWaalsContact OH-CB 3.28Å; Y140-S426 WeakPolarHBondContact OH-CB 3.49Å; Y140-S426 PolarHBondContact OH-OG 2.92Å |
| 141 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | 71.6 | 29.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | R137 D138 R143 V402 | R137-G141 PolarHBondContact NH2-O 3.13Å; D138-G141 PolarHBondContact O-N 2.88Å; D138-G141 WeakPolarHBondContact OD1-CA 3.3Å; D138-G141 PolarHBondContact OD1-N 3.05Å; G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.43Å; G141-V402 WeakPolarHBondContact O-CG1 3.31Å | ||
| 142 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -57.7 | -42.2 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | V120 D138 Y140 V402 V418 L421 | V120-V142 HydrophobicContact CB-CB 3.87Å; V120-V142 HydrophobicContact CB-CG1 3.98Å; V120-V142 HydrophobicContact CG1-CB 3.61Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.83Å; V120-V142 HydrophobicContact CG2-CG1 4.37Å; D138-V142 PolarHBondContact OD1-N 2.83Å; D138-V142 PolarHBondContact OD2-N 2.97Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; V142-V402 VanDerWaalsContact CA-CG1 3.46Å; V142-V402 HydrophobicContact CB-CG1 4.49Å; V142-V418 HydrophobicContact CG1-CG2 3.87Å; V142-V418 HydrophobicContact CG2-CG2 4.08Å; V142-L421 HydrophobicContact CG2-CD1 3.9Å | ||
| 143 | R | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -96.6 | 135.2 | 170.5 | -64.1 | -68 | -173.5 | -96.1 | -0 | 109.8 | M1 N75 V120 A122 R137 D138 G141 E415 L416 | M1-R143 PolarHBondContact SD-NH1 3.48Å; N75-R143 WeakPolarHBondContact O-CB 3.47Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.23Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.09Å; A122-R143 HydrophobicContact CB-CB 4.11Å; R137-R143 PolarHBondContact NE-O 3.32Å; D138-R143 PolarHBondContact OD2-N 3.24Å; G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.43Å; R143-E415 VanDerWaalsContact NH2-CG 3.29Å; R143-E415 IonicContact NH2-OE2 2.65Å; R143-E415 PolarHBondContact NH2-OE2 3.26Å; R143-L416 PolarHBondContact NH1-O 3.21Å; R143-L416 PolarHBondContact NH2-O 3.37Å |
| 144 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -87.6 | 150.7 | -173.3 | 37.3 | -41.2 | 0 | 0 | 0 | 113.5 | A122 S159 D406 R407 | A122-P144 VanDerWaalsContact CB-O 3.24Å; A122-P144 WeakPolarHBondContact CB-O 3.25Å; P144-S159 WeakPolarHBondContact CB-O 3.29Å; P144-S159 VanDerWaalsContact CG-O 3.26Å; P144-S159 WeakPolarHBondContact CG-O 3.49Å; P144-D406 WeakPolarHBondContact CD-OD2 3.28Å; P144-D406 WeakPolarHBondContact CG-OD1 3.22Å; P144-R407 VanDerWaalsContact CG-NH1 3.29Å | ||
| 145 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -149.3 | 135.2 | 171.3 | -170.8 | 58.9 | 0 | 0 | 0 | 109.1 | I4 A122 L135 V157 C158 F180 | I4-L145 HydrophobicContact CD1-CD1 3.64Å; I4-L145 HydrophobicContact CG1-CD1 4.4Å; A122-L145 HydrophobicContact CB-CB 3.9Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L145-V157 HydrophobicContact CD1-CB 4.29Å; L145-C158 CarbonylContact C-O 3.42Å; L145-F180 HydrophobicContact CB-CB 3.92Å; L145-F180 HydrophobicContact CD2-CB 4.04Å; L145-F180 HydrophobicContact CD2-CD1 4.04Å; L145-F180 HydrophobicContact CD2-CD2 4.45Å; L145-F180 HydrophobicContact CD2-CG 3.91Å; L145-F180 HydrophobicContact CG-CB 3.88Å; L145-F180 HydrophobicContact CG-CG 4.31Å; L145-F180 WeakPolarHBondContact O-CB 3.37Å; L145-F180 PolarHBondContact O-N 2.82Å | ||
| 146 | F | 98.9 | Very high | 98 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.9 | 170.1 | -73.5 | -99.9 | 0 | 0 | 0 | 108.9 | V157 C158 A161 L164 V177 E178 P179 W532 | F146-V157 VanDerWaalsContact O-CA 3.3Å; F146-V157 WeakPolarHBondContact O-CA 3.41Å; F146-C158 PolarHBondContact N-O 2.99Å; F146-C158 PolarHBondContact O-N 3.25Å; F146-A161 HydrophobicContact CD1-CB 3.74Å; F146-A161 HydrophobicContact CD2-CB 4.28Å; F146-A161 HydrophobicContact CE1-CB 3.83Å; F146-A161 HydrophobicContact CE2-CB 4.35Å; F146-A161 HydrophobicContact CG-CB 3.97Å; F146-A161 HydrophobicContact CZ-CB 4.14Å; F146-L164 HydrophobicContact CB-CD1 3.86Å; F146-V177 HydrophobicContact CB-CG1 4.23Å; F146-V177 HydrophobicContact CD1-CG1 4.06Å; F146-E178 WeakPolarHBondContact CA-O 3.25Å; F146-P179 HydrophobicContact CD1-CB 4.3Å; F146-P179 HydrophobicContact CD1-CG 4.19Å; F146-P179 HydrophobicContact CE1-CB 4.04Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CG 4.32Å; F146-W532 HydrophobicContact CE1-CG 4.48Å |
| 147 | K | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157.3 | 172.6 | 69.7 | 169.8 | -179.9 | -178 | 0 | 111.6 | L135 L155 A156 V157 V177 E178 F180 E186 | L135-K147 HydrophobicContact CD1-CD 4.43Å; K147-L155 HydrophobicContact CB-CD1 4.38Å; K147-A156 CarbonylContact C-O 3.56Å; K147-A156 VanDerWaalsContact CA-O 3.3Å; K147-A156 WeakPolarHBondContact CA-O 3.32Å; K147-V157 HydrophobicContact CB-CG1 3.95Å; K147-V177 WeakPolarHBondContact O-CA 3.42Å; K147-E178 WeakPolarHBondContact CE-OE1 3.45Å; K147-E178 HydrophobicContact CG-CG 4.05Å; K147-E178 PolarHBondContact N-O 3.42Å; K147-E178 PolarHBondContact O-N 2.82Å; K147-F180 HydrophobicContact CD-CD2 4.19Å; K147-E186 IonicContact NZ-OE1 3.08Å; K147-E186 PolarHBondContact NZ-OE1 3.41Å; K147-E186 IonicContact NZ-OE2 3.66Å; K147-E186 PolarHBondContact NZ-OE2 3.3Å |
| 148 | A | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L155 A156 L175 K176 V177 | A148-L155 WeakPolarHBondContact O-CA 3.28Å; A148-A156 HydrophobicContact CB-CB 4.47Å; A148-A156 PolarHBondContact N-O 2.87Å; A148-A156 PolarHBondContact O-N 3.41Å; A148-L175 HydrophobicContact CB-CD1 3.81Å; A148-L175 HydrophobicContact CB-CD2 3.72Å; A148-L175 HydrophobicContact CB-CG 3.57Å; A148-K176 VanDerWaalsContact CA-O 3.28Å; A148-K176 WeakPolarHBondContact CA-O 3.31Å; A148-K176 WeakPolarHBondContact CB-O 3.35Å; A148-V177 HydrophobicContact CB-CG2 4.13Å |
| 149 | M | 97.6 | Very high | 98 | Very high | 67 Ų | 67 | 18.9 Ų | 18.9 | 33% | 0.33 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137 | -178.6 | -169.9 | 161.5 | 60.6 | 0 | 0 | 110.3 | F154 L155 L188 | M149-F154 VanDerWaalsContact CA-O 3.27Å; M149-F154 WeakPolarHBondContact CA-O 3.47Å; M149-L155 HydrophobicContact CB-CD1 4.29Å; M149-L155 HydrophobicContact SD-CD1 4.44Å; M149-L188 HydrophobicContact SD-CD2 3.68Å |
| 150 | T | 97.1 | Very high | 98.1 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 12% | 0.117 | 9% | 0.092 | C | C | . | . | trans | -106.1 | 163.8 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | D152 G153 F154 T172 L175 | T150-D152 VanDerWaalsContact C-N 3.27Å; T150-D152 VanDerWaalsContact CB-OD1 3.24Å; T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.29Å; T150-D152 PolarHBondContact OG1-OD1 3.3Å; T150-G153 PolarHBondContact O-N 2.92Å; T150-F154 HydrophobicContact CG2-CB 4.4Å; T150-F154 HydrophobicContact CG2-CD1 4.04Å; T150-F154 PolarHBondContact N-O 2.91Å; T150-F154 WeakPolarHBondContact OG1-CB 3.47Å; T150-F154 PolarHBondContact OG1-N 3.48Å; T150-F154 VanDerWaalsContact OG1-N 3.12Å; T150-T172 HydrophobicContact CG2-CG2 3.75Å; T150-L175 HydrophobicContact CG2-CD1 3.64Å | ||
| 151 | E | 95.4 | Very high | 98.1 | Very high | 209 Ų | 209 | 18.2 Ų | 18.2 | 98% | 0.977 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.2 | 178.6 | -64.8 | -177.1 | 173.8 | 0 | 0 | 113.1 | G153 | E151-G153 PolarHBondContact O-N 3.41Š|
| 152 | D | 95.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 18.4 Ų | 18.4 | 31% | 0.305 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2 | 176.7 | 69.9 | -63.2 | 0 | 0 | 0 | 113.6 | T150 H169 T171 K195 | T150-D152 VanDerWaalsContact C-N 3.27Å; T150-D152 VanDerWaalsContact CB-OD1 3.24Å; T150-D152 WeakPolarHBondContact CB-OD1 3.46Å; T150-D152 PolarHBondContact O-N 3.29Å; T150-D152 PolarHBondContact OG1-OD1 3.3Å; D152-H169 IonicContact OD1-CD2 3.8Å; D152-H169 IonicContact OD1-NE2 3.05Å; D152-H169 PolarHBondContact OD1-NE2 2.91Å; D152-H169 VanDerWaalsContact OD1-NE2 3.07Å; D152-H169 IonicContact OD2-CE1 3.65Å; D152-H169 PolarHBondContact OD2-CE1 3.03Å; D152-H169 IonicContact OD2-NE2 2.86Å; D152-H169 PolarHBondContact OD2-NE2 3.28Å; D152-T171 PolarHBondContact OD1-OG1 3.42Å; D152-K195 WeakPolarHBondContact O-CD 3.47Å; D152-K195 IonicContact OD2-NZ 3.11Å; D152-K195 PolarHBondContact OD2-NZ 3.08Å |
| 153 | G | 96.9 | Very high | 98 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 6% | 0.062 | 9% | 0.091 | C | C | . | . | trans | 88.3 | 22.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T150 E151 K195 V196 | T150-G153 PolarHBondContact O-N 2.92Å; E151-G153 PolarHBondContact O-N 3.41Å; G153-K195 CarbonylContact O-C 3.54Å; G153-K195 WeakPolarHBondContact O-CA 3.32Å; G153-K195 WeakPolarHBondContact O-CB 3.38Å; G153-V196 WeakPolarHBondContact CA-O 3.48Å; G153-V196 PolarHBondContact O-N 3.26Å | ||
| 154 | F | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -73.9 | 129.1 | 163.6 | 166.3 | -108.8 | 0 | 0 | 0 | 108.9 | L7 F8 M149 T150 A156 L167 H169 L175 | L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.32Å; L7-F154 HydrophobicContact CD2-CE2 3.94Å; L7-F154 HydrophobicContact CD2-CZ 3.83Å; L7-F154 HydrophobicContact CG-CE2 4.42Å; F8-F154 WeakPolarHBondContact O-CD2 3.35Å; M149-F154 VanDerWaalsContact CA-O 3.27Å; M149-F154 WeakPolarHBondContact CA-O 3.47Å; T150-F154 HydrophobicContact CG2-CB 4.4Å; T150-F154 HydrophobicContact CG2-CD1 4.04Å; T150-F154 PolarHBondContact N-O 2.91Å; T150-F154 WeakPolarHBondContact OG1-CB 3.47Å; T150-F154 PolarHBondContact OG1-N 3.48Å; T150-F154 VanDerWaalsContact OG1-N 3.12Å; F154-A156 HydrophobicContact CE1-CB 4.07Å; F154-A156 HydrophobicContact CZ-CB 3.86Å; F154-L167 HydrophobicContact CZ-CD1 4.44Å; F154-H169 VanDerWaalsContact CB-CE1 3.48Å; F154-H169 WeakPolarHBondContact CB-CE1 3.09Å; F154-H169 HydrophobicContact CD1-CB 4.04Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 AromaticContact CD1-ND1 3.89Å; F154-H169 HydrophobicContact CE1-CB 4.14Å; F154-H169 AromaticContact CG-CE1 3.84Å; F154-H169 AromaticContact CG-CG 3.97Å; F154-H169 AromaticContact CG-ND1 3.67Å; F154-L175 HydrophobicContact CD1-CD1 4.28Å; F154-L175 HydrophobicContact CE1-CD1 4.2Å; F154-L175 HydrophobicContact CE1-CD2 4.05Å | ||
| 155 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.5 | 175.2 | 170.7 | 70.4 | 0 | 0 | 0 | 109.4 | L7 F8 V133 K147 A148 M149 V157 L188 V196 | L7-L155 CarbonylContact C-O 3.49Å; L7-L155 WeakPolarHBondContact CA-O 2.94Å; F8-L155 HydrophobicContact CB-CB 4.3Å; F8-L155 HydrophobicContact CD2-CB 4.39Å; F8-L155 HydrophobicContact CD2-CD2 3.79Å; F8-L155 HydrophobicContact CD2-CG 4.18Å; F8-L155 HydrophobicContact CE2-CD2 4.3Å; F8-L155 PolarHBondContact N-O 3Å; F8-L155 PolarHBondContact O-N 3.13Å; V133-L155 HydrophobicContact CG1-CD2 4.36Å; K147-L155 HydrophobicContact CB-CD1 4.38Å; A148-L155 WeakPolarHBondContact O-CA 3.28Å; M149-L155 HydrophobicContact CB-CD1 4.29Å; M149-L155 HydrophobicContact SD-CD1 4.44Å; L155-V157 HydrophobicContact CD1-CG1 3.87Å; L155-V157 HydrophobicContact CD2-CG1 4.37Å; L155-V157 HydrophobicContact CG-CG1 4.11Å; L155-L188 HydrophobicContact CD2-CD1 4.41Å; L155-L188 HydrophobicContact CD2-CD2 4.05Å; L155-V196 HydrophobicContact CB-CG2 3.42Å; L155-V196 VanDerWaalsContact CB-CG2 3.42Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; L155-V196 HydrophobicContact CG-CG2 4.32Å |
| 156 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A6 L7 K147 A148 F154 L164 L167 | A6-A156 WeakPolarHBondContact O-CA 3.33Å; L7-A156 HydrophobicContact CD2-CB 3.33Å; K147-A156 CarbonylContact C-O 3.56Å; K147-A156 VanDerWaalsContact CA-O 3.3Å; K147-A156 WeakPolarHBondContact CA-O 3.32Å; A148-A156 HydrophobicContact CB-CB 4.47Å; A148-A156 PolarHBondContact N-O 2.87Å; A148-A156 PolarHBondContact O-N 3.41Å; F154-A156 HydrophobicContact CE1-CB 4.07Å; F154-A156 HydrophobicContact CZ-CB 3.86Å; A156-L164 HydrophobicContact CB-CD2 3.7Å; A156-L167 HydrophobicContact CB-CD1 3.61Å |
| 157 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.5 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | W5 A6 V124 L135 L145 F146 K147 L155 | W5-V157 CarbonylContact C-O 3.54Å; W5-V157 WeakPolarHBondContact CA-O 3.38Å; A6-V157 HydrophobicContact CB-CG2 3.79Å; A6-V157 PolarHBondContact N-O 3.11Å; A6-V157 PolarHBondContact O-N 3.02Å; V124-V157 HydrophobicContact CB-CG2 4.23Å; V124-V157 HydrophobicContact CG1-CG2 4.35Å; V124-V157 HydrophobicContact CG2-CG2 4.35Å; L135-V157 HydrophobicContact CD1-CG1 3.73Å; L135-V157 HydrophobicContact CD2-CB 4.5Å; L135-V157 HydrophobicContact CD2-CG1 3.8Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L135-V157 HydrophobicContact CG-CG1 4.44Å; L145-V157 HydrophobicContact CD1-CB 4.29Å; F146-V157 VanDerWaalsContact O-CA 3.3Å; F146-V157 WeakPolarHBondContact O-CA 3.41Å; K147-V157 HydrophobicContact CB-CG1 3.95Å; L155-V157 HydrophobicContact CD1-CG1 3.87Å; L155-V157 HydrophobicContact CD2-CG1 4.37Å; L155-V157 HydrophobicContact CG-CG1 4.11Å |
| 158 | C | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151 | -177.2 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | I4 L145 F146 E160 L164 | I4-C158 CarbonylContact O-C 3.49Å; I4-C158 VanDerWaalsContact O-CA 3.25Å; I4-C158 WeakPolarHBondContact O-CA 3.36Å; L145-C158 CarbonylContact C-O 3.42Å; F146-C158 PolarHBondContact N-O 2.99Å; F146-C158 PolarHBondContact O-N 3.25Å; C158-E160 WeakPolarHBondContact CB-O 3.46Å; C158-E160 PolarHBondContact O-N 2.99Å; C158-E160 PolarHBondContact SG-O 3.28Å; C158-L164 HydrophobicContact CB-CD1 3.94Å; C158-L164 HydrophobicContact CB-CD2 3.57Å; C158-L164 HydrophobicContact CB-CG 3.53Å |
| 159 | S | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -59.1 | -34.7 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | I4 P144 | I4-S159 VanDerWaalsContact CG1-OG 3.22Å; I4-S159 WeakPolarHBondContact CG1-OG 3.34Å; I4-S159 PolarHBondContact N-OG 2.82Å; I4-S159 PolarHBondContact O-N 3.37Å; P144-S159 WeakPolarHBondContact CB-O 3.29Å; P144-S159 VanDerWaalsContact CG-O 3.26Å; P144-S159 WeakPolarHBondContact CG-O 3.49Å |
| 160 | E | 98.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -132.8 | 140.6 | -176.1 | -62.3 | 179.8 | 178.1 | 0 | 0 | 110.1 | I24 H26 R27 C158 K162 G163 E332 | I24-E160 HydrophobicContact CG2-CB 3.91Å; I24-E160 HydrophobicContact CG2-CG 4.41Å; H26-E160 IonicContact CD2-OE1 3.73Å; H26-E160 IonicContact CE1-OE2 2.66Å; H26-E160 PolarHBondContact CE1-OE2 2.85Å; H26-E160 VanDerWaalsContact NE2-CD 3.32Å; H26-E160 IonicContact NE2-OE1 3.48Å; H26-E160 PolarHBondContact NE2-OE1 2.87Å; H26-E160 IonicContact NE2-OE2 3.55Å; H26-E160 PolarHBondContact NE2-OE2 2.89Å; R27-E160 VanDerWaalsContact CD-OE1 3.27Å; R27-E160 WeakPolarHBondContact CD-OE1 3.16Å; R27-E160 IonicContact CZ-OE1 2.64Å; R27-E160 IonicContact NE-OE1 2.64Å; R27-E160 IonicContact NH1-OE1 3.04Å; R27-E160 PolarHBondContact NH1-OE1 3.47Å; C158-E160 WeakPolarHBondContact CB-O 3.46Å; C158-E160 PolarHBondContact O-N 2.99Å; C158-E160 PolarHBondContact SG-O 3.28Å; E160-K162 HydrophobicContact CB-CG 3.95Å; E160-K162 PolarHBondContact O-N 2.66Å; E160-K162 VanDerWaalsContact O-N 3.17Å; E160-K162 VanDerWaalsContact OE2-CD 3.28Å; E160-K162 WeakPolarHBondContact OE2-CD 3.45Å; E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 2.83Å; E160-K162 PolarHBondContact OE2-NZ 2.67Å; E160-G163 PolarHBondContact O-N 3.36Å; E160-E332 WeakPolarHBondContact CB-OE1 3.39Å |
| 161 | A | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F146 G163 L164 V165 V177 E332 W532 | F146-A161 HydrophobicContact CD1-CB 3.74Å; F146-A161 HydrophobicContact CD2-CB 4.28Å; F146-A161 HydrophobicContact CE1-CB 3.83Å; F146-A161 HydrophobicContact CE2-CB 4.35Å; F146-A161 HydrophobicContact CG-CB 3.97Å; F146-A161 HydrophobicContact CZ-CB 4.14Å; A161-G163 PolarHBondContact O-N 3.21Å; A161-G163 VanDerWaalsContact O-N 3.11Å; A161-L164 WeakPolarHBondContact O-CA 3.28Å; A161-L164 WeakPolarHBondContact O-CB 3.23Å; A161-L164 PolarHBondContact O-N 3.14Å; A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 PolarHBondContact O-N 3.47Å; A161-V165 VanDerWaalsContact O-N 3.09Å; A161-V177 HydrophobicContact CB-CG1 3.99Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 2.64Å; A161-E332 PolarHBondContact N-OE2 3.03Å; A161-W532 HydrophobicContact CB-CD2 4.31Å; A161-W532 HydrophobicContact CB-CE3 4.13Å; A161-W532 HydrophobicContact CB-CH2 3.33Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.66Å |
| 162 | K | 98.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.4 | -23.4 | 175.7 | 70.4 | 179.9 | 65.5 | 60.4 | 0 | 114.1 | I24 E160 L164 F329 S330 E332 Y526 | I24-K162 HydrophobicContact CG2-CG 4.31Å; E160-K162 HydrophobicContact CB-CG 3.95Å; E160-K162 PolarHBondContact O-N 2.66Å; E160-K162 VanDerWaalsContact O-N 3.17Å; E160-K162 VanDerWaalsContact OE2-CD 3.28Å; E160-K162 WeakPolarHBondContact OE2-CD 3.45Å; E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 2.83Å; E160-K162 PolarHBondContact OE2-NZ 2.67Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-F329 HydrophobicContact CD-CE1 3.94Å; K162-F329 HydrophobicContact CD-CE2 4.45Å; K162-F329 HydrophobicContact CD-CZ 3.72Å; K162-F329 VanDerWaalsContact CE-O 3.28Å; K162-F329 WeakPolarHBondContact CE-O 3.24Å; K162-S330 PolarHBondContact NZ-O 3.41Å; K162-E332 VanDerWaalsContact CB-OE1 3.26Å; K162-E332 WeakPolarHBondContact CB-OE1 3.4Å; K162-E332 WeakPolarHBondContact CE-OE1 3.2Å; K162-E332 VanDerWaalsContact CG-OE1 3.31Å; K162-E332 WeakPolarHBondContact CG-OE1 3.28Å; K162-E332 PolarHBondContact N-OE1 3.1Å; K162-E332 VanDerWaalsContact NZ-CD 3.31Å; K162-E332 IonicContact NZ-OE1 2.79Å; K162-E332 PolarHBondContact NZ-OE1 3.49Å; K162-Y526 HydrophobicContact CB-CE1 3.95Å; K162-Y526 WeakPolarHBondContact CE-OH 3.11Å |
| 163 | G | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -79.4 | -7.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | W5 S20 E160 A161 | W5-G163 PolarHBondContact NE1-O 3.41Å; S20-G163 PolarHBondContact OG-O 3.03Å; E160-G163 PolarHBondContact O-N 3.36Å; A161-G163 PolarHBondContact O-N 3.21Å; A161-G163 VanDerWaalsContact O-N 3.11Å |
| 164 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -33.7 | -177.4 | -57.6 | -179.6 | 0 | 0 | 0 | 113.2 | F146 A156 C158 A161 K162 T166 L167 V177 | F146-L164 HydrophobicContact CB-CD1 3.86Å; A156-L164 HydrophobicContact CB-CD2 3.7Å; C158-L164 HydrophobicContact CB-CD1 3.94Å; C158-L164 HydrophobicContact CB-CD2 3.57Å; C158-L164 HydrophobicContact CB-CG 3.53Å; A161-L164 WeakPolarHBondContact O-CA 3.28Å; A161-L164 WeakPolarHBondContact O-CB 3.23Å; A161-L164 PolarHBondContact O-N 3.14Å; K162-L164 VanDerWaalsContact C-N 3.28Å; L164-T166 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact O-N 3.1Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å; L164-L167 VanDerWaalsContact O-CB 3.29Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 WeakPolarHBondContact O-CG 3.43Å; L164-L167 PolarHBondContact O-N 3.01Å; L164-V177 HydrophobicContact CB-CG1 4.31Å; L164-V177 HydrophobicContact CB-CG2 3.84Å; L164-V177 HydrophobicContact CD1-CG1 3.91Å |
| 165 | V | 95.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.2 | -169.8 | -62.1 | 0 | 0 | 0 | 0 | 115.5 | A161 Y526 W532 | A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 PolarHBondContact O-N 3.47Å; A161-V165 VanDerWaalsContact O-N 3.09Å; V165-Y526 HydrophobicContact CG1-CD1 4.35Å; V165-Y526 HydrophobicContact CG2-CD1 4.41Å; V165-Y526 HydrophobicContact CG2-CE1 4.49Å; V165-W532 HydrophobicContact CG1-CH2 3.45Å; V165-W532 VanDerWaalsContact CG1-CH2 3.45Å; V165-W532 HydrophobicContact CG1-CZ2 3.63Å |
| 166 | T | 92.8 | Very high | 93.6 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -2.7 | 177.4 | 58 | 0 | 0 | 0 | 0 | 113.5 | L164 | L164-T166 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 92.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 136.5 | 176.7 | -68.9 | 173.3 | 0 | 0 | 0 | 109.8 | W5 L7 S20 F154 A156 L164 L175 | W5-L167 HydrophobicContact CZ2-CD2 4.2Å; L7-L167 HydrophobicContact CD2-CD1 3.85Å; S20-L167 WeakPolarHBondContact OG-CD2 3.42Å; F154-L167 HydrophobicContact CZ-CD1 4.44Å; A156-L167 HydrophobicContact CB-CD1 3.61Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å; L164-L167 VanDerWaalsContact O-CB 3.29Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 WeakPolarHBondContact O-CG 3.43Å; L164-L167 PolarHBondContact O-N 3.01Å; L167-L175 HydrophobicContact CB-CD2 3.94Å; L167-L175 HydrophobicContact CD1-CD2 4.44Å | ||
| 168 | K | 88.1 | Confident | 93.6 | Very high | 166 Ų | 166 | 46.7 Ų | 46.7 | 72% | 0.722 | 25% | 0.253 | S | S | * | . | trans | -109.3 | 143.2 | 171.9 | -62 | -176.4 | -179.3 | -178.3 | 0 | 107.9 | ||||
| 169 | H | 88.8 | Confident | 93.6 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -141.5 | 131.7 | 176.5 | -178 | 65 | 0 | 0 | 0 | 108.3 | D11 D152 F154 T171 T172 K195 | D11-H169 IonicContact OD1-CE1 3.94Å; D11-H169 IonicContact OD2-CE1 2.73Å; D11-H169 PolarHBondContact OD2-CE1 2.94Å; D11-H169 IonicContact OD2-ND1 3.84Å; D11-H169 PolarHBondContact OD2-ND1 3.47Å; D11-H169 IonicContact OD2-NE2 2.68Å; D152-H169 IonicContact OD1-CD2 3.8Å; D152-H169 IonicContact OD1-NE2 3.05Å; D152-H169 PolarHBondContact OD1-NE2 2.91Å; D152-H169 VanDerWaalsContact OD1-NE2 3.07Å; D152-H169 IonicContact OD2-CE1 3.65Å; D152-H169 PolarHBondContact OD2-CE1 3.03Å; D152-H169 IonicContact OD2-NE2 2.86Å; D152-H169 PolarHBondContact OD2-NE2 3.28Å; F154-H169 VanDerWaalsContact CB-CE1 3.48Å; F154-H169 WeakPolarHBondContact CB-CE1 3.09Å; F154-H169 HydrophobicContact CD1-CB 4.04Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 AromaticContact CD1-ND1 3.89Å; F154-H169 HydrophobicContact CE1-CB 4.14Å; F154-H169 AromaticContact CG-CE1 3.84Å; F154-H169 AromaticContact CG-CG 3.97Å; F154-H169 AromaticContact CG-ND1 3.67Å; H169-T171 PolarHBondContact CD2-OG1 3.07Å; H169-T171 PolarHBondContact NE2-OG1 2.93Å; H169-T171 PolarHBondContact O-N 2.99Å; H169-T172 HydrophobicContact CB-CG2 3.77Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 VanDerWaalsContact O-O 3.14Å; H169-K195 PolarHBondContact CE1-NZ 2.76Å; H169-K195 VanDerWaalsContact CE1-NZ 3.29Å |
| 170 | S | 85.4 | Confident | 93.6 | Very high | 97 Ų | 97 | 48 Ų | 48 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.5 | -158.8 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 171 | T | 83.4 | Confident | 93.6 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -8.7 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | D152 H169 | D152-T171 PolarHBondContact OD1-OG1 3.42Å; H169-T171 PolarHBondContact CD2-OG1 3.07Å; H169-T171 PolarHBondContact NE2-OG1 2.93Å; H169-T171 PolarHBondContact O-N 2.99Å |
| 172 | T | 85.9 | Confident | 93.5 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 119.2 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | T150 H169 F174 L175 | T150-T172 HydrophobicContact CG2-CG2 3.75Å; H169-T172 HydrophobicContact CB-CG2 3.77Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 VanDerWaalsContact O-O 3.14Å; T172-F174 VanDerWaalsContact C-N 3.27Å; T172-F174 PolarHBondContact O-N 2.91Å; T172-F174 PolarHBondContact OG1-N 3.45Å; T172-F174 PolarHBondContact OG1-O 2.9Å; T172-F174 VanDerWaalsContact OG1-O 3.05Å; T172-L175 HydrophobicContact CG2-CB 4.46Å; T172-L175 HydrophobicContact CG2-CD1 4.2Å |
| 173 | P | 85.9 | Confident | 93.5 | Very high | 140 Ų | 140 | 51.1 Ų | 51.1 | 91% | 0.909 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -73 | -23 | 175.7 | 30.1 | -34.2 | 0 | 0 | 0 | 112.3 | ||
| 174 | F | 91.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -138.6 | 105.4 | 179.8 | -177 | -96.3 | 0 | 0 | 0 | 110.1 | T172 K176 R529 | T172-F174 VanDerWaalsContact C-N 3.27Å; T172-F174 PolarHBondContact O-N 2.91Å; T172-F174 PolarHBondContact OG1-N 3.45Å; T172-F174 PolarHBondContact OG1-O 2.9Å; T172-F174 VanDerWaalsContact OG1-O 3.05Å; F174-K176 PolarHBondContact O-N 3.37Å; F174-R529 VanDerWaalsContact CE1-NH1 3.34Å |
| 175 | L | 94.1 | Very high | 93.6 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | trans | -75.1 | 112.5 | 176.9 | -174.6 | 64.3 | 0 | 0 | 0 | 109.6 | A148 T150 F154 L167 T172 V177 R529 | A148-L175 HydrophobicContact CB-CD1 3.81Å; A148-L175 HydrophobicContact CB-CD2 3.72Å; A148-L175 HydrophobicContact CB-CG 3.57Å; T150-L175 HydrophobicContact CG2-CD1 3.64Å; F154-L175 HydrophobicContact CD1-CD1 4.28Å; F154-L175 HydrophobicContact CE1-CD1 4.2Å; F154-L175 HydrophobicContact CE1-CD2 4.05Å; L167-L175 HydrophobicContact CB-CD2 3.94Å; L167-L175 HydrophobicContact CD1-CD2 4.44Å; T172-L175 HydrophobicContact CG2-CB 4.46Å; T172-L175 HydrophobicContact CG2-CD1 4.2Å; L175-V177 PolarHBondContact O-N 2.94Å; L175-R529 VanDerWaalsContact O-CZ 3.24Å; L175-R529 PolarHBondContact O-NH1 2.87Å; L175-R529 PolarHBondContact O-NH2 3.07Å | ||
| 176 | K | 96.6 | Very high | 93.8 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | trans | -68.1 | 121.1 | 174.9 | -169.8 | -170.5 | -177.6 | -142.2 | 0 | 109.2 | A148 F174 E178 | A148-K176 VanDerWaalsContact CA-O 3.28Å; A148-K176 WeakPolarHBondContact CA-O 3.31Å; A148-K176 WeakPolarHBondContact CB-O 3.35Å; F174-K176 PolarHBondContact O-N 3.37Å; K176-E178 IonicContact NZ-OE2 3.41Å; K176-E178 PolarHBondContact NZ-OE2 3.02Å | ||
| 177 | V | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.3 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | F146 K147 A148 A161 L164 L175 W532 | F146-V177 HydrophobicContact CB-CG1 4.23Å; F146-V177 HydrophobicContact CD1-CG1 4.06Å; K147-V177 WeakPolarHBondContact O-CA 3.42Å; A148-V177 HydrophobicContact CB-CG2 4.13Å; A161-V177 HydrophobicContact CB-CG1 3.99Å; L164-V177 HydrophobicContact CB-CG1 4.31Å; L164-V177 HydrophobicContact CB-CG2 3.84Å; L164-V177 HydrophobicContact CD1-CG1 3.91Å; L175-V177 PolarHBondContact O-N 2.94Å; V177-W532 HydrophobicContact CB-CZ2 4.03Å; V177-W532 HydrophobicContact CG1-CZ2 3.99Å; V177-W532 PolarHBondContact O-NE1 3.17Å |
| 178 | E | 98.3 | Very high | 94.4 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.3 | 179 | 61.6 | -168.5 | -172.2 | 0 | 0 | 111.5 | F146 K147 K176 F180 | F146-E178 WeakPolarHBondContact CA-O 3.25Å; K147-E178 WeakPolarHBondContact CE-OE1 3.45Å; K147-E178 HydrophobicContact CG-CG 4.05Å; K147-E178 PolarHBondContact N-O 3.42Å; K147-E178 PolarHBondContact O-N 2.82Å; K176-E178 IonicContact NZ-OE2 3.41Å; K176-E178 PolarHBondContact NZ-OE2 3.02Å; E178-F180 PolarHBondContact O-N 3.37Å |
| 179 | P | 98.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.1 | 170.7 | -17.7 | 28.5 | 0 | 0 | 0 | 110.7 | F146 Y398 | F146-P179 HydrophobicContact CD1-CB 4.3Å; F146-P179 HydrophobicContact CD1-CG 4.19Å; F146-P179 HydrophobicContact CE1-CB 4.04Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CG 4.32Å; P179-Y398 HydrophobicContact CB-CE2 3.99Å |
| 180 | F | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -78 | 129.8 | 168.1 | -172.7 | -85.6 | 0 | 0 | 0 | 109.3 | L135 R137 L145 K147 E178 H184 E186 | L135-F180 HydrophobicContact CB-CD2 4.15Å; L135-F180 HydrophobicContact CB-CE2 3.52Å; L135-F180 HydrophobicContact CB-CZ 3.74Å; L135-F180 HydrophobicContact CD1-CD2 4.01Å; L135-F180 HydrophobicContact CD1-CE2 3.88Å; L135-F180 HydrophobicContact CG-CE2 4.34Å; R137-F180 HydrophobicContact CB-CD1 3.72Å; R137-F180 HydrophobicContact CB-CE1 4.01Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 2.94Å; L145-F180 HydrophobicContact CB-CB 3.92Å; L145-F180 HydrophobicContact CD2-CB 4.04Å; L145-F180 HydrophobicContact CD2-CD1 4.04Å; L145-F180 HydrophobicContact CD2-CD2 4.45Å; L145-F180 HydrophobicContact CD2-CG 3.91Å; L145-F180 HydrophobicContact CG-CB 3.88Å; L145-F180 HydrophobicContact CG-CG 4.31Å; L145-F180 WeakPolarHBondContact O-CB 3.37Å; L145-F180 PolarHBondContact O-N 2.82Å; K147-F180 HydrophobicContact CD-CD2 4.19Å; E178-F180 PolarHBondContact O-N 3.37Å; F180-H184 HydrophobicContact CE1-CB 4.2Å; F180-H184 WeakPolarHBondContact CE1-O 3.37Å; F180-H184 HydrophobicContact CZ-CB 4.48Å; F180-E186 HydrophobicContact CE2-CB 3.68Å; F180-E186 HydrophobicContact CZ-CB 3.94Å |
| 181 | L | 98.4 | Very high | 96 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 139.7 | -167.9 | -63.5 | 179.9 | 0 | 0 | 0 | 113.1 | H184 M201 | L181-H184 HydrophobicContact CB-CB 4.43Å; L181-H184 VanDerWaalsContact CB-ND1 3.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.42Å; L181-M201 HydrophobicContact CD1-CE 3.7Å; L181-M201 HydrophobicContact CG-CE 4.48Å |
| 182 | P | 98.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 144.1 | 172.2 | -27.6 | 37.1 | 0 | 0 | 0 | 114.7 | T139 H184 K203 Y398 | T139-P182 WeakPolarHBondContact O-CB 3.32Å; P182-H184 PolarHBondContact O-N 3.11Å; P182-H184 PolarHBondContact O-ND1 3.03Å; P182-K203 PolarHBondContact O-NZ 3.21Å; P182-Y398 HydrophobicContact CG-CD1 3.49Å; P182-Y398 VanDerWaalsContact CG-CD1 3.49Å; P182-Y398 HydrophobicContact CG-CD2 4.09Å; P182-Y398 HydrophobicContact CG-CE1 4.1Å; P182-Y398 HydrophobicContact CG-CG 3.47Å; P182-Y398 VanDerWaalsContact CG-CG 3.47Å |
| 183 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 34.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R137 D138 K203 Y204 | R137-G183 WeakPolarHBondContact O-CA 3.43Å; R137-G183 PolarHBondContact O-N 3.49Å; D138-G183 PolarHBondContact O-N 3.47Å; G183-K203 WeakPolarHBondContact O-CD 3.36Å; G183-K203 PolarHBondContact O-NZ 2.77Å; G183-K203 VanDerWaalsContact O-NZ 3.07Å; G183-Y204 VanDerWaalsContact O-CD1 3.24Å; G183-Y204 WeakPolarHBondContact O-CD1 3.38Å; G183-Y204 PolarHBondContact O-N 3.47Å |
| 184 | H | 98.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 156.9 | 173.6 | -68.2 | 77.4 | 0 | 0 | 0 | 110.9 | R137 F180 L181 P182 M201 V202 K203 | R137-H184 PolarHBondContact N-O 3.3Å; R137-H184 VanDerWaalsContact N-O 3.12Å; F180-H184 HydrophobicContact CE1-CB 4.2Å; F180-H184 WeakPolarHBondContact CE1-O 3.37Å; F180-H184 HydrophobicContact CZ-CB 4.48Å; L181-H184 HydrophobicContact CB-CB 4.43Å; L181-H184 VanDerWaalsContact CB-ND1 3.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.42Å; P182-H184 PolarHBondContact O-N 3.11Å; P182-H184 PolarHBondContact O-ND1 3.03Å; H184-M201 HydrophobicContact CB-CG 4.48Å; H184-V202 CarbonylContact C-O 3.46Å; H184-V202 WeakPolarHBondContact CA-O 3.38Å; H184-V202 WeakPolarHBondContact CB-O 3.4Å; H184-K203 PolarHBondContact CD2-N 3.19Å; H184-K203 WeakPolarHBondContact CE1-CD 3.33Å; H184-K203 WeakPolarHBondContact NE2-CD 2.93Å |
| 185 | Y | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.3 | 156.7 | 67.5 | -87.7 | 0 | 0 | 0 | 110.5 | I110 E111 I114 L135 V187 M201 V202 Y204 | I110-Y185 HydrophobicContact CG1-CD2 4.24Å; I110-Y185 HydrophobicContact CG1-CG 4.46Å; I110-Y185 HydrophobicContact CG2-CD2 3.84Å; I110-Y185 HydrophobicContact CG2-CE2 3.68Å; E111-Y185 HydrophobicContact CB-CE1 4.19Å; E111-Y185 HydrophobicContact CG-CE1 4.16Å; E111-Y185 PolarHBondContact OE1-OH 3.02Å; E111-Y185 VanDerWaalsContact OE1-OH 3.05Å; I114-Y185 HydrophobicContact CG2-CD1 3.81Å; I114-Y185 HydrophobicContact CG2-CE1 4.33Å; L135-Y185 CarbonylContact O-C 3.37Å; L135-Y185 WeakPolarHBondContact O-CA 3.44Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.23Å; Y185-V187 HydrophobicContact CD2-CG2 3.88Å; Y185-V187 HydrophobicContact CE2-CG2 3.73Å; Y185-M201 CarbonylContact O-C 3.38Å; Y185-M201 WeakPolarHBondContact O-CA 3.46Å; Y185-V202 HydrophobicContact CD1-CB 4.13Å; Y185-V202 HydrophobicContact CD2-CB 4.49Å; Y185-V202 HydrophobicContact CE1-CB 3.6Å; Y185-V202 HydrophobicContact CE1-CG1 3.66Å; Y185-V202 HydrophobicContact CE1-CG2 4.42Å; Y185-V202 HydrophobicContact CE2-CB 3.99Å; Y185-V202 HydrophobicContact CE2-CG2 4.01Å; Y185-V202 PolarHBondContact N-O 3.09Å; Y185-V202 PolarHBondContact O-N 3.02Å; Y185-Y204 HydrophobicContact CD1-CD1 4.48Å |
| 186 | E | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.6 | 173.7 | -173.9 | 175 | -166.8 | 0 | 0 | 109.3 | F134 L135 K147 F180 L188 S198 E200 M201 | F134-E186 VanDerWaalsContact CA-O 3.3Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; L135-E186 HydrophobicContact CB-CB 4.34Å; L135-E186 PolarHBondContact N-O 3.17Å; L135-E186 PolarHBondContact O-N 3.07Å; K147-E186 IonicContact NZ-OE1 3.08Å; K147-E186 PolarHBondContact NZ-OE1 3.41Å; K147-E186 IonicContact NZ-OE2 3.66Å; K147-E186 PolarHBondContact NZ-OE2 3.3Å; F180-E186 HydrophobicContact CE2-CB 3.68Å; F180-E186 HydrophobicContact CZ-CB 3.94Å; E186-L188 HydrophobicContact CB-CD1 4.39Å; E186-L188 HydrophobicContact CG-CD1 3.91Å; E186-L188 HydrophobicContact CG-CG 4.21Å; E186-S198 WeakPolarHBondContact OE1-CB 3.38Å; E186-S198 PolarHBondContact OE1-OG 3.19Å; E186-E200 WeakPolarHBondContact CA-O 3.02Å; E186-E200 WeakPolarHBondContact CG-O 3.41Å; E186-M201 HydrophobicContact CB-CB 4.49Å; E186-M201 HydrophobicContact CB-CG 4.43Å; E186-M201 HydrophobicContact CG-CB 4.33Å |
| 187 | V | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | I110 K132 F134 Y185 V199 E200 | I110-V187 HydrophobicContact CG2-CG2 4.25Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; F134-V187 HydrophobicContact CD1-CB 4.38Å; F134-V187 HydrophobicContact CD1-CG1 4.24Å; F134-V187 HydrophobicContact CD1-CG2 3.97Å; F134-V187 HydrophobicContact CE1-CB 4.36Å; F134-V187 HydrophobicContact CE1-CG1 3.8Å; F134-V187 HydrophobicContact CE1-CG2 3.98Å; Y185-V187 HydrophobicContact CD2-CG2 3.88Å; Y185-V187 HydrophobicContact CE2-CG2 3.73Å; V187-V199 HydrophobicContact CB-CB 4.38Å; V187-V199 HydrophobicContact CG1-CB 4.38Å; V187-V199 WeakPolarHBondContact O-CB 3.38Å; V187-V199 PolarHBondContact O-N 3.34Å; V187-E200 HydrophobicContact CB-CG 3.97Å; V187-E200 HydrophobicContact CG2-CG 3.9Å; V187-E200 PolarHBondContact N-O 3.46Å; V187-E200 PolarHBondContact O-N 2.9Å |
| 188 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.4 | 175.1 | -50.8 | 95.7 | 0 | 0 | 0 | 110.8 | K132 V133 L135 M149 L155 E186 V196 A197 | K132-L188 CarbonylContact C-O 3.48Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.21Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 HydrophobicContact CB-CD1 4.45Å; V133-L188 HydrophobicContact CG1-CD1 4.45Å; V133-L188 PolarHBondContact N-O 3.26Å; V133-L188 PolarHBondContact O-N 2.92Å; L135-L188 HydrophobicContact CD1-CD1 4.4Å; L135-L188 HydrophobicContact CG-CD1 4.18Å; M149-L188 HydrophobicContact SD-CD2 3.68Å; L155-L188 HydrophobicContact CD2-CD1 4.41Å; L155-L188 HydrophobicContact CD2-CD2 4.05Å; E186-L188 HydrophobicContact CB-CD1 4.39Å; E186-L188 HydrophobicContact CG-CD1 3.91Å; E186-L188 HydrophobicContact CG-CG 4.21Å; L188-V196 HydrophobicContact CB-CB 4.15Å; L188-V196 HydrophobicContact CD2-CB 4.27Å; L188-V196 HydrophobicContact CD2-CG2 3.86Å; L188-A197 CarbonylContact C-O 3.51Å; L188-A197 VanDerWaalsContact CA-O 3.27Å; L188-A197 WeakPolarHBondContact CA-O 3.19Å |
| 189 | D | 98.8 | Very high | 98.3 | Very high | 50 Ų | 50 | 32.9 Ų | 32.9 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.9 | 169.9 | -78.8 | -16.3 | 0 | 0 | 0 | 110.5 | K132 K191 V196 A197 V199 | K132-D189 WeakPolarHBondContact CE-OD1 3.02Å; K132-D189 IonicContact NZ-OD1 2.65Å; K132-D189 PolarHBondContact NZ-OD1 3.16Å; D189-K191 HydrophobicContact CB-CD 4.37Å; D189-K191 IonicContact OD2-NZ 3.46Å; D189-K191 PolarHBondContact OD2-NZ 2.95Å; D189-K191 VanDerWaalsContact OD2-NZ 3.08Å; D189-V196 CarbonylContact O-C 3.55Å; D189-V196 WeakPolarHBondContact O-CA 3.32Å; D189-A197 PolarHBondContact N-O 3.19Å; D189-A197 PolarHBondContact O-N 2.85Å; D189-V199 HydrophobicContact CB-CG2 4.46Å |
| 190 | L | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117.6 | 167.3 | -177.6 | 67.1 | 0 | 0 | 0 | 110.2 | Y40 L126 K131 V196 | Y40-L190 HydrophobicContact CD1-CD1 4.35Å; Y40-L190 HydrophobicContact CD1-CD2 4.14Å; Y40-L190 HydrophobicContact CD1-CG 4.31Å; Y40-L190 HydrophobicContact CD2-CD2 3.83Å; Y40-L190 HydrophobicContact CE1-CD1 4.44Å; Y40-L190 HydrophobicContact CE1-CD2 3.88Å; Y40-L190 HydrophobicContact CE1-CG 3.96Å; Y40-L190 HydrophobicContact CE2-CD2 3.55Å; Y40-L190 HydrophobicContact CE2-CG 4.49Å; Y40-L190 HydrophobicContact CG-CD2 4.11Å; L126-L190 HydrophobicContact CD1-CD2 3.73Å; K131-L190 HydrophobicContact CB-CB 4.32Å; K131-L190 PolarHBondContact O-N 3.38Å; L190-V196 HydrophobicContact CD1-CG1 4.14Å |
| 191 | K | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 40.4 Ų | 40.4 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 158 | 178.4 | -54 | -53.3 | -179.9 | -172.4 | 0 | 110.9 | Y40 D189 N193 G194 K195 | Y40-K191 VanDerWaalsContact CE1-O 3.29Å; Y40-K191 WeakPolarHBondContact CE1-O 3.32Å; D189-K191 HydrophobicContact CB-CD 4.37Å; D189-K191 IonicContact OD2-NZ 3.46Å; D189-K191 PolarHBondContact OD2-NZ 2.95Å; D189-K191 VanDerWaalsContact OD2-NZ 3.08Å; K191-N193 WeakPolarHBondContact CB-OD1 3.09Å; K191-N193 PolarHBondContact O-N 3.34Å; K191-N193 VanDerWaalsContact O-N 3.08Å; K191-G194 PolarHBondContact O-N 3.25Å; K191-K195 WeakPolarHBondContact CB-O 3.49Å; K191-K195 PolarHBondContact N-O 3.45Å |
| 192 | P | 97.8 | Very high | 98.2 | Very high | 120 Ų | 120 | 39.1 Ų | 39.1 | 78% | 0.779 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.4 | -177.9 | -27.8 | 36.1 | 0 | 0 | 0 | 115.1 | G194 | P192-G194 VanDerWaalsContact C-N 3.32Š|
| 193 | N | 96.2 | Very high | 98.1 | Very high | 96 Ų | 96 | 42 Ų | 42 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.7 | 177.2 | 67.2 | -8.7 | 0 | 0 | 0 | 113.7 | N42 K191 K195 | N42-N193 PolarHBondContact ND2-O 2.9Å; K191-N193 WeakPolarHBondContact CB-OD1 3.09Å; K191-N193 PolarHBondContact O-N 3.34Å; K191-N193 VanDerWaalsContact O-N 3.08Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.06Å; N193-K195 WeakPolarHBondContact OD1-CB 3.36Å; N193-K195 PolarHBondContact OD1-N 3.4Å |
| 194 | G | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 84.5 | -11 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F8 G9 C43 K191 P192 | F8-G194 CarbonylContact C-O 3.39Å; G9-G194 WeakPolarHBondContact CA-O 3.46Å; G9-G194 PolarHBondContact N-O 3.28Å; C43-G194 PolarHBondContact SG-O 3.18Å; K191-G194 PolarHBondContact O-N 3.25Å; P192-G194 VanDerWaalsContact C-N 3.32Å |
| 195 | K | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | trans | -66.7 | 163.3 | 171.1 | -59.2 | -76.4 | 177.2 | 175.4 | 0 | 110.3 | G9 D11 D152 G153 H169 K191 N193 | G9-K195 WeakPolarHBondContact O-CD 3.49Å; G9-K195 WeakPolarHBondContact O-CE 3.24Å; G9-K195 PolarHBondContact O-NZ 3.29Å; D11-K195 IonicContact OD1-NZ 3.88Å; D11-K195 PolarHBondContact OD1-NZ 2.76Å; D11-K195 IonicContact OD2-NZ 3.12Å; D152-K195 WeakPolarHBondContact O-CD 3.47Å; D152-K195 IonicContact OD2-NZ 3.11Å; D152-K195 PolarHBondContact OD2-NZ 3.08Å; G153-K195 CarbonylContact O-C 3.54Å; G153-K195 WeakPolarHBondContact O-CA 3.32Å; G153-K195 WeakPolarHBondContact O-CB 3.38Å; H169-K195 PolarHBondContact CE1-NZ 2.76Å; H169-K195 VanDerWaalsContact CE1-NZ 3.29Å; K191-K195 WeakPolarHBondContact CB-O 3.49Å; K191-K195 PolarHBondContact N-O 3.45Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.06Å; N193-K195 WeakPolarHBondContact OD1-CB 3.36Å; N193-K195 PolarHBondContact OD1-N 3.4Å | ||
| 196 | V | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.4 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | F8 V133 G153 L155 L188 D189 L190 | F8-V196 HydrophobicContact CB-CG1 3.79Å; F8-V196 HydrophobicContact CG-CG1 4.25Å; V133-V196 HydrophobicContact CG2-CG1 4.01Å; G153-V196 WeakPolarHBondContact CA-O 3.48Å; G153-V196 PolarHBondContact O-N 3.26Å; L155-V196 HydrophobicContact CB-CG2 3.42Å; L155-V196 VanDerWaalsContact CB-CG2 3.42Å; L155-V196 HydrophobicContact CD2-CG2 4.02Å; L155-V196 HydrophobicContact CG-CG2 4.32Å; L188-V196 HydrophobicContact CB-CB 4.15Å; L188-V196 HydrophobicContact CD2-CB 4.27Å; L188-V196 HydrophobicContact CD2-CG2 3.86Å; D189-V196 CarbonylContact O-C 3.55Å; D189-V196 WeakPolarHBondContact O-CA 3.32Å; L190-V196 HydrophobicContact CD1-CG1 4.14Å |
| 197 | A | 98.5 | Very high | 95.6 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L188 D189 | L188-A197 CarbonylContact C-O 3.51Å; L188-A197 VanDerWaalsContact CA-O 3.27Å; L188-A197 WeakPolarHBondContact CA-O 3.19Å; D189-A197 PolarHBondContact N-O 3.19Å; D189-A197 PolarHBondContact O-N 2.85Å |
| 198 | S | 97.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.1 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | E186 | E186-S198 WeakPolarHBondContact OE1-CB 3.38Å; E186-S198 PolarHBondContact OE1-OG 3.19Å |
| 199 | V | 97.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -53.2 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | V187 D189 | V187-V199 HydrophobicContact CB-CB 4.38Å; V187-V199 HydrophobicContact CG1-CB 4.38Å; V187-V199 WeakPolarHBondContact O-CB 3.38Å; V187-V199 PolarHBondContact O-N 3.34Å; D189-V199 HydrophobicContact CB-CG2 4.46Å |
| 200 | E | 98.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 151.5 | -178.2 | 61.2 | -172.8 | 160.4 | 0 | 0 | 111.4 | E186 V187 V202 | E186-E200 WeakPolarHBondContact CA-O 3.02Å; E186-E200 WeakPolarHBondContact CG-O 3.41Å; V187-E200 HydrophobicContact CB-CG 3.97Å; V187-E200 HydrophobicContact CG2-CG 3.9Å; V187-E200 PolarHBondContact N-O 3.46Å; V187-E200 PolarHBondContact O-N 2.9Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.89Å |
| 201 | M | 98.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.6 | 168 | -175.9 | 169.8 | 78.1 | 0 | 0 | 108.1 | L181 H184 Y185 E186 | L181-M201 HydrophobicContact CD1-CE 3.7Å; L181-M201 HydrophobicContact CG-CE 4.48Å; H184-M201 HydrophobicContact CB-CG 4.48Å; Y185-M201 CarbonylContact O-C 3.38Å; Y185-M201 WeakPolarHBondContact O-CA 3.46Å; E186-M201 HydrophobicContact CB-CB 4.49Å; E186-M201 HydrophobicContact CB-CG 4.43Å; E186-M201 HydrophobicContact CG-CB 4.33Å |
| 202 | V | 98.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.3 | -165.2 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | H184 Y185 E200 | H184-V202 CarbonylContact C-O 3.46Å; H184-V202 WeakPolarHBondContact CA-O 3.38Å; H184-V202 WeakPolarHBondContact CB-O 3.4Å; Y185-V202 HydrophobicContact CD1-CB 4.13Å; Y185-V202 HydrophobicContact CD2-CB 4.49Å; Y185-V202 HydrophobicContact CE1-CB 3.6Å; Y185-V202 HydrophobicContact CE1-CG1 3.66Å; Y185-V202 HydrophobicContact CE1-CG2 4.42Å; Y185-V202 HydrophobicContact CE2-CB 3.99Å; Y185-V202 HydrophobicContact CE2-CG2 4.01Å; Y185-V202 PolarHBondContact N-O 3.09Å; Y185-V202 PolarHBondContact O-N 3.02Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.89Å |
| 203 | K | 97.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.9 | 167.6 | -173.3 | 84.1 | -179.5 | 101.8 | 0 | 108.3 | P182 G183 H184 H205 | P182-K203 PolarHBondContact O-NZ 3.21Å; G183-K203 WeakPolarHBondContact O-CD 3.36Å; G183-K203 PolarHBondContact O-NZ 2.77Å; G183-K203 VanDerWaalsContact O-NZ 3.07Å; H184-K203 PolarHBondContact CD2-N 3.19Å; H184-K203 WeakPolarHBondContact CE1-CD 3.33Å; H184-K203 WeakPolarHBondContact NE2-CD 2.93Å; K203-H205 WeakPolarHBondContact CE-O 3.36Å; K203-H205 PolarHBondContact NZ-O 2.79Å |
| 204 | Y | 94.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | trans | -103.8 | -14.1 | -176.6 | 77.1 | -96.8 | 0 | 0 | 0 | 114.1 | I114 R137 D138 T139 G183 Y185 | I114-Y204 HydrophobicContact CD1-CD1 3.63Å; I114-Y204 HydrophobicContact CD1-CE1 3.42Å; I114-Y204 VanDerWaalsContact CD1-CE1 3.42Å; I114-Y204 HydrophobicContact CD1-CG 4.42Å; I114-Y204 HydrophobicContact CG1-CD1 3.97Å; I114-Y204 HydrophobicContact CG1-CD2 4.44Å; I114-Y204 HydrophobicContact CG1-CE1 3.68Å; I114-Y204 HydrophobicContact CG1-CE2 4.22Å; I114-Y204 HydrophobicContact CG1-CG 4.35Å; I114-Y204 HydrophobicContact CG2-CD1 4Å; I114-Y204 HydrophobicContact CG2-CD2 4.06Å; I114-Y204 HydrophobicContact CG2-CG 3.74Å; R137-Y204 WeakPolarHBondContact O-CE1 3.38Å; D138-Y204 WeakPolarHBondContact CA-OH 3.26Å; T139-Y204 PolarHBondContact N-OH 3.45Å; G183-Y204 VanDerWaalsContact O-CD1 3.24Å; G183-Y204 WeakPolarHBondContact O-CD1 3.38Å; G183-Y204 PolarHBondContact O-N 3.47Å; Y185-Y204 HydrophobicContact CD1-CD1 4.48Å | ||
| 205 | H | 86.7 | Confident | 91 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | trans | -150.4 | 130 | -177.5 | -176.2 | -110.6 | 0 | 0 | 0 | 111.6 | T139 K203 D209 | T139-H205 WeakPolarHBondContact CG2-ND1 3.34Å; T139-H205 PolarHBondContact OG1-ND1 2.72Å; K203-H205 WeakPolarHBondContact CE-O 3.36Å; K203-H205 PolarHBondContact NZ-O 2.79Å; H205-D209 PolarHBondContact NE2-O 3.29Å; H205-D209 VanDerWaalsContact NE2-O 3.08Å | ||
| 206 | H | 82.3 | Confident | 90.2 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | trans | -97.6 | 143.3 | 164 | -59.2 | -104.1 | 0 | 0 | 0 | 109.6 | R208 D209 | H206-R208 PolarHBondContact O-N 3.22Å; H206-D209 VanDerWaalsContact CB-OD2 3.24Å; H206-D209 WeakPolarHBondContact CB-OD2 3.49Å; H206-D209 IonicContact CD2-OD2 2.78Å; H206-D209 PolarHBondContact CD2-OD2 2.88Å; H206-D209 IonicContact CG-OD2 3.96Å; H206-D209 PolarHBondContact N-OD2 3.34Å; H206-D209 WeakPolarHBondContact O-CB 3.39Å; H206-D209 PolarHBondContact O-N 3.14Å | ||
| 207 | C | 76.6 | Confident | 89.3 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 10% | 0.101 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.8 | -172.7 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | Y140 S427 L430 | Y140-C207 HydrophobicContact CE1-CB 3.78Å; C207-S427 PolarHBondContact O-OG 3.48Å; C207-L430 HydrophobicContact CB-CD1 3.94Å; C207-L430 VanDerWaalsContact O-CD1 3.29Å; C207-L430 WeakPolarHBondContact O-CD1 3.23Å |
| 208 | R | 79.1 | Confident | 87.7 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.1 | 174.5 | -68 | -161.2 | -170.2 | -152.7 | 16.3 | 113.7 | H206 E210 E387 E391 L430 | H206-R208 PolarHBondContact O-N 3.22Å; R208-E210 PolarHBondContact O-N 2.72Å; R208-E387 IonicContact CZ-OE1 3.47Å; R208-E387 VanDerWaalsContact CZ-OE1 3.23Å; R208-E387 IonicContact CZ-OE2 3.47Å; R208-E387 IonicContact NH1-OE1 3.9Å; R208-E387 PolarHBondContact NH1-OE1 3.25Å; R208-E387 IonicContact NH1-OE2 2.75Å; R208-E387 PolarHBondContact NH1-OE2 3.3Å; R208-E387 VanDerWaalsContact NH1-OE2 3.16Å; R208-E387 IonicContact NH2-OE1 3.27Å; R208-E387 PolarHBondContact NH2-OE1 3.2Å; R208-E387 IonicContact NH2-OE2 3.49Å; R208-E387 PolarHBondContact NH2-OE2 2.97Å; R208-E391 IonicContact CZ-OE1 3.57Å; R208-E391 IonicContact NE-OE1 3.07Å; R208-E391 PolarHBondContact NE-OE1 3.36Å; R208-E391 IonicContact NH2-OE1 2.87Å; R208-E391 PolarHBondContact NH2-OE1 3.26Å; R208-L430 HydrophobicContact CG-CB 4.36Å |
| 209 | D | 82.8 | Confident | 86 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.2 | 137.1 | -174.3 | -55.9 | -22.1 | 0 | 0 | 0 | 109 | H205 H206 S427 | H205-D209 PolarHBondContact NE2-O 3.29Å; H205-D209 VanDerWaalsContact NE2-O 3.08Å; H206-D209 VanDerWaalsContact CB-OD2 3.24Å; H206-D209 WeakPolarHBondContact CB-OD2 3.49Å; H206-D209 IonicContact CD2-OD2 2.78Å; H206-D209 PolarHBondContact CD2-OD2 2.88Å; H206-D209 IonicContact CG-OD2 3.96Å; H206-D209 PolarHBondContact N-OD2 3.34Å; H206-D209 WeakPolarHBondContact O-CB 3.39Å; H206-D209 PolarHBondContact O-N 3.14Å; D209-S427 PolarHBondContact O-OG 3.14Å |
| 210 | E | 85.3 | Confident | 84.2 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 123.3 | 164.9 | -170.9 | 173.7 | -160.3 | 0 | 0 | 107.8 | R208 A214 | R208-E210 PolarHBondContact O-N 2.72Å; E210-A214 HydrophobicContact CG-CB 3.85Å |
| 211 | P | 88.2 | Confident | 82.6 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 140.8 | -174.2 | 29.8 | -37.6 | 0 | 0 | 0 | 110.2 | H213 A214 H423 R424 | P211-H213 WeakPolarHBondContact CB-NE2 3.43Å; P211-H213 WeakPolarHBondContact CG-NE2 3.15Å; P211-H213 PolarHBondContact O-N 3.38Å; P211-H213 VanDerWaalsContact O-N 3.08Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.21Å; P211-A214 PolarHBondContact O-N 2.57Å; P211-H423 HydrophobicContact CB-CB 4.12Å; P211-H423 HydrophobicContact CG-CB 3.86Å; P211-R424 HydrophobicContact CG-CG 4.28Å |
| 212 | L | 88.7 | Confident | 81.7 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -56.9 | -32.4 | -175.9 | -174.5 | 66.6 | 0 | 0 | 0 | 113 | C115 M116 A214 L215 | C115-L212 HydrophobicContact CB-CB 4.11Å; C115-L212 HydrophobicContact CB-CD2 3.77Å; M116-L212 HydrophobicContact CG-CD2 4.38Å; L212-A214 PolarHBondContact O-N 2.88Å; L212-A214 VanDerWaalsContact O-N 3.14Å; L212-L215 HydrophobicContact CD1-CD1 3.68Å; L212-L215 HydrophobicContact CG-CD1 4.49Å; L212-L215 WeakPolarHBondContact O-CG 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å |
| 213 | H | 90.3 | Very high | 80.8 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -62.2 | -17.4 | 175.8 | 72 | 72.5 | 0 | 0 | 0 | 113.9 | M116 D118 P211 L215 Y216 H423 | M116-H213 WeakPolarHBondContact O-CB 3.33Å; D118-H213 VanDerWaalsContact CB-CE1 3.42Å; D118-H213 WeakPolarHBondContact CB-CE1 3.4Å; D118-H213 IonicContact OD1-CE1 3.51Å; D118-H213 PolarHBondContact OD1-CE1 2.73Å; D118-H213 IonicContact OD1-NE2 3.54Å; D118-H213 IonicContact OD2-CE1 3.88Å; P211-H213 WeakPolarHBondContact CB-NE2 3.43Å; P211-H213 WeakPolarHBondContact CG-NE2 3.15Å; P211-H213 PolarHBondContact O-N 3.38Å; P211-H213 VanDerWaalsContact O-N 3.08Å; H213-L215 PolarHBondContact O-N 3.29Å; H213-Y216 PolarHBondContact O-N 3.33Å; H213-H423 AromaticContact NE2-CG 3.87Å; H213-H423 AromaticContact NE2-ND1 3.38Å; H213-H423 PolarHBondContact NE2-ND1 3.49Å |
| 214 | A | 87.8 | Confident | 80.1 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -60.2 | -26.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E210 P211 L212 Y216 D217 R424 | E210-A214 HydrophobicContact CG-CB 3.85Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.21Å; P211-A214 PolarHBondContact O-N 2.57Å; L212-A214 PolarHBondContact O-N 2.88Å; L212-A214 VanDerWaalsContact O-N 3.14Å; A214-Y216 PolarHBondContact O-N 2.92Å; A214-D217 PolarHBondContact O-N 3.21Å; A214-R424 VanDerWaalsContact CA-NH2 3.33Å; A214-R424 PolarHBondContact O-NH2 2.75Å |
| 215 | L | 85.3 | Confident | 79.8 | Confident | 131 Ų | 131 | 76.8 Ų | 76.8 | 69% | 0.686 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -59.7 | -27.8 | 174.2 | -65.3 | 175 | 0 | 0 | 0 | 113.1 | L212 H213 | L212-L215 HydrophobicContact CD1-CD1 3.68Å; L212-L215 HydrophobicContact CG-CD1 4.49Å; L212-L215 WeakPolarHBondContact O-CG 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å; H213-L215 PolarHBondContact O-N 3.29Å |
| 216 | Y | 82.9 | Confident | 80.2 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 24% | 0.235 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -95.9 | -2 | -179.3 | -58.2 | -82.1 | 0 | 0 | 0 | 111.6 | K83 M84 H87 F88 M116 H213 A214 | K83-Y216 WeakPolarHBondContact CD-O 3.32Å; K83-Y216 WeakPolarHBondContact CE-O 3.28Å; K83-Y216 PolarHBondContact NZ-O 3.27Å; M84-Y216 HydrophobicContact CE-CD2 4.41Å; M84-Y216 HydrophobicContact SD-CD2 4.25Å; M84-Y216 HydrophobicContact SD-CG 4.04Å; H87-Y216 AromaticContact CD2-CD1 3.73Å; H87-Y216 AromaticContact CD2-CE1 3.63Å; H87-Y216 AromaticContact CE1-CD1 3.99Å; H87-Y216 AromaticContact CG-CD1 3.99Å; H87-Y216 AromaticContact NE2-CD1 3.73Å; H87-Y216 AromaticContact NE2-CE1 3.39Å; H87-Y216 WeakPolarHBondContact NE2-CE1 3.2Å; F88-Y216 HydrophobicContact CE2-CE1 4.26Å; F88-Y216 AromaticContact CZ-CE1 3.74Å; F88-Y216 HydrophobicContact CZ-CE1 3.74Å; F88-Y216 AromaticContact CZ-CZ 3.9Å; M116-Y216 HydrophobicContact CE-CD2 4.32Å; M116-Y216 HydrophobicContact CE-CE2 3.57Å; H213-Y216 PolarHBondContact O-N 3.33Å; A214-Y216 PolarHBondContact O-N 2.92Å |
| 217 | D | 77.9 | Confident | 80.8 | Confident | 44 Ų | 44 | 81 Ų | 81 | 24% | 0.235 | 41% | 0.411 | C | S | . | . | trans | -103.5 | 117.7 | -174.5 | -170.2 | 27.7 | 0 | 0 | 0 | 114.5 | K83 A214 V219 R424 | K83-D217 IonicContact NZ-OD1 2.67Å; K83-D217 PolarHBondContact NZ-OD1 3.27Å; A214-D217 PolarHBondContact O-N 3.21Å; D217-V219 PolarHBondContact O-N 3.02Å; D217-V219 VanDerWaalsContact OD2-CG2 3.24Å; D217-V219 WeakPolarHBondContact OD2-CG2 3.06Å; D217-R424 VanDerWaalsContact CB-NH1 3.29Å; D217-R424 PolarHBondContact O-NH2 2.79Å; D217-R424 IonicContact OD1-NH1 2.82Å; D217-R424 IonicContact OD2-CZ 3.16Å; D217-R424 VanDerWaalsContact OD2-CZ 3.25Å; D217-R424 IonicContact OD2-NE 3.23Å; D217-R424 IonicContact OD2-NH1 2.72Å; D217-R424 PolarHBondContact OD2-NH1 2.98Å | ||
| 218 | N | 65.8 | Low | 81.8 | Confident | 139 Ų | 139 | 83.7 Ų | 83.7 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | trans | -95.2 | 29.8 | -167.9 | -66.8 | -12.4 | 0 | 0 | 0 | 109.9 | D220 | N218-D220 PolarHBondContact O-N 2.91Š| ||
| 219 | V | 62.7 | Low | 82.6 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | trans | -51.4 | 137.6 | 172.3 | 171.4 | 0 | 0 | 0 | 0 | 107.4 | D217 K221 I237 N241 | D217-V219 PolarHBondContact O-N 3.02Å; D217-V219 VanDerWaalsContact OD2-CG2 3.24Å; D217-V219 WeakPolarHBondContact OD2-CG2 3.06Å; V219-K221 PolarHBondContact O-N 3.33Å; V219-I237 HydrophobicContact CG1-CG2 3.69Å; V219-N241 WeakPolarHBondContact CG1-ND2 3.23Å; V219-N241 WeakPolarHBondContact CG2-ND2 2.81Å | ||
| 220 | D | 58.6 | Low | 83.2 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 67% | 0.668 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -39 | 117.4 | 173.4 | -63.1 | -47.7 | 0 | 0 | 0 | 108.2 | N218 L222 | N218-D220 PolarHBondContact O-N 2.91Å; D220-L222 PolarHBondContact O-N 2.5Å |
| 221 | K | 64.6 | Low | 83.8 | Confident | 193 Ų | 193 | 74.4 Ų | 74.4 | 84% | 0.839 | 38% | 0.384 | S | S | * | . | trans | -43.6 | 117.7 | -168.2 | -78.2 | -177.9 | 176.5 | -179.4 | 0 | 109.3 | V219 F223 | V219-K221 PolarHBondContact O-N 3.33Å; K221-F223 PolarHBondContact O-N 2.81Å | ||
| 222 | L | 80.6 | Confident | 84.2 | Confident | 65 Ų | 65 | 75 Ų | 75 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 136.8 | 173.6 | -62.7 | 179.1 | 0 | 0 | 0 | 108 | D220 N234 L238 Y428 | D220-L222 PolarHBondContact O-N 2.5Å; L222-N234 HydrophobicContact CD2-CB 4.02Å; L222-L238 HydrophobicContact CD1-CD1 4.07Å; L222-L238 HydrophobicContact CD1-CD2 4.34Å; L222-L238 HydrophobicContact CD2-CD1 4.13Å; L222-L238 HydrophobicContact CD2-CD2 4.05Å; L222-L238 HydrophobicContact CD2-CG 3.92Å; L222-Y428 HydrophobicContact CD1-CD2 4.04Å; L222-Y428 HydrophobicContact CD1-CE2 4.42Å |
| 223 | F | 79.5 | Confident | 84.6 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -72 | 133 | -179.5 | -60 | -90 | 0 | 0 | 0 | 108.5 | K221 T230 N233 N234 I237 | K221-F223 PolarHBondContact O-N 2.81Å; F223-T230 HydrophobicContact CB-CG2 3.55Å; F223-T230 WeakPolarHBondContact O-CG2 3.4Å; F223-N233 WeakPolarHBondContact CD2-ND2 3.39Å; F223-N233 WeakPolarHBondContact CE2-ND2 2.89Å; F223-N234 WeakPolarHBondContact CD2-OD1 3.39Å; F223-N234 PolarHBondContact N-OD1 3.36Å; F223-N234 PolarHBondContact O-ND2 3.43Å; F223-I237 HydrophobicContact CE2-CD1 4.4Å |
| 224 | P | 81.6 | Confident | 84.8 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -69.6 | 155 | 178.8 | 30.7 | -35.1 | 0 | 0 | 0 | 110.6 | ||
| 225 | G | 88.5 | Confident | 85.3 | Confident | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 96.7 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E227 | G225-E227 WeakPolarHBondContact CA-OE2 3.44Š|
| 226 | F | 94.3 | Very high | 85.9 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | trans | -120.9 | 24.5 | -179.4 | -63.3 | -64.5 | 0 | 0 | 0 | 111.9 | V231 L432 P433 M436 | F226-V231 HydrophobicContact CB-CG2 4.33Å; F226-V231 HydrophobicContact CD1-CG2 4.26Å; F226-L432 HydrophobicContact CD1-CD2 3.68Å; F226-L432 HydrophobicContact CE1-CD2 3.83Å; F226-P433 HydrophobicContact CB-CG 4.36Å; F226-P433 HydrophobicContact CD2-CG 4.19Å; F226-P433 HydrophobicContact CG-CG 4.19Å; F226-M436 HydrophobicContact CB-SD 4.24Å | ||
| 227 | E | 96.8 | Very high | 86.5 | Confident | 117 Ų | 117 | 67.9 Ų | 67.9 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | trans | -60.1 | 139.3 | 169.3 | -60.1 | 77.9 | -171 | 0 | 0 | 109.7 | G225 E229 T230 V231 | G225-E227 WeakPolarHBondContact CA-OE2 3.44Å; E227-E229 VanDerWaalsContact C-N 3.3Å; E227-E229 PolarHBondContact O-N 3.25Å; E227-T230 WeakPolarHBondContact O-CA 3.45Å; E227-T230 VanDerWaalsContact O-CB 3.28Å; E227-T230 WeakPolarHBondContact O-CB 3.31Å; E227-T230 PolarHBondContact O-N 2.88Å; E227-V231 PolarHBondContact O-N 3.31Å | ||
| 228 | I | 96.2 | Very high | 87.3 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57 | -39.7 | -169.3 | -171.6 | 59.6 | 0 | 0 | 0 | 113.5 | V231 K232 M436 L447 | I228-V231 PolarHBondContact O-N 2.9Å; I228-K232 HydrophobicContact CD1-CG 4.4Å; I228-K232 HydrophobicContact CG1-CD 4.43Å; I228-K232 WeakPolarHBondContact O-CB 3.49Å; I228-K232 VanDerWaalsContact O-CG 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.42Å; I228-K232 PolarHBondContact O-N 3.33Å; I228-M436 HydrophobicContact CD1-CE 3.96Å; I228-L447 HydrophobicContact CD1-CD1 3.57Å |
| 229 | E | 95.9 | Very high | 88.9 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 177 | -66.2 | -49.3 | 135.1 | 0 | 0 | 112.6 | E227 K232 N233 | E227-E229 VanDerWaalsContact C-N 3.3Å; E227-E229 PolarHBondContact O-N 3.25Å; E229-K232 VanDerWaalsContact CD-NZ 3.27Å; E229-K232 WeakPolarHBondContact OE1-CE 3.49Å; E229-K232 IonicContact OE1-NZ 3.82Å; E229-K232 PolarHBondContact OE1-NZ 3.48Å; E229-K232 WeakPolarHBondContact OE2-CE 3.32Å; E229-K232 IonicContact OE2-NZ 2.61Å; E229-K232 PolarHBondContact OE2-NZ 3.06Å; E229-K232 VanDerWaalsContact OE2-NZ 3.14Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.31Å; E229-N233 PolarHBondContact O-N 2.84Å |
| 230 | T | 95.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 173.2 | -63 | 0 | 0 | 0 | 0 | 110.3 | F223 E227 N233 N234 | F223-T230 HydrophobicContact CB-CG2 3.55Å; F223-T230 WeakPolarHBondContact O-CG2 3.4Å; E227-T230 WeakPolarHBondContact O-CA 3.45Å; E227-T230 VanDerWaalsContact O-CB 3.28Å; E227-T230 WeakPolarHBondContact O-CB 3.31Å; E227-T230 PolarHBondContact O-N 2.88Å; T230-N233 PolarHBondContact O-N 3.08Å; T230-N234 WeakPolarHBondContact O-CB 3.3Å; T230-N234 PolarHBondContact O-N 3.19Å; T230-N234 PolarHBondContact O-ND2 2.96Å |
| 231 | V | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F226 E227 I228 N233 N234 L235 L432 M436 L447 | F226-V231 HydrophobicContact CB-CG2 4.33Å; F226-V231 HydrophobicContact CD1-CG2 4.26Å; E227-V231 PolarHBondContact O-N 3.31Å; I228-V231 PolarHBondContact O-N 2.9Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.16Å; V231-N234 PolarHBondContact O-N 3.33Å; V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.28Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.31Å; V231-L432 HydrophobicContact CB-CD2 4.45Å; V231-L432 HydrophobicContact CG1-CD1 3.8Å; V231-L432 HydrophobicContact CG1-CD2 3.74Å; V231-L432 HydrophobicContact CG1-CG 4.45Å; V231-L432 HydrophobicContact CG2-CD2 3.84Å; V231-M436 HydrophobicContact CB-CE 4.26Å; V231-M436 HydrophobicContact CG1-CE 4.34Å; V231-M436 HydrophobicContact CG2-CE 3.9Å; V231-L447 HydrophobicContact CG1-CD1 4.18Å; V231-L447 HydrophobicContact CG1-CD2 4.1Å |
| 232 | K | 97.4 | Very high | 94 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.8 | -40.4 | 177.3 | -71.9 | -173.1 | -61.1 | 177.3 | 0 | 111.5 | I228 E229 R236 L447 E450 | I228-K232 HydrophobicContact CD1-CG 4.4Å; I228-K232 HydrophobicContact CG1-CD 4.43Å; I228-K232 WeakPolarHBondContact O-CB 3.49Å; I228-K232 VanDerWaalsContact O-CG 3.31Å; I228-K232 WeakPolarHBondContact O-CG 3.42Å; I228-K232 PolarHBondContact O-N 3.33Å; E229-K232 VanDerWaalsContact CD-NZ 3.27Å; E229-K232 WeakPolarHBondContact OE1-CE 3.49Å; E229-K232 IonicContact OE1-NZ 3.82Å; E229-K232 PolarHBondContact OE1-NZ 3.48Å; E229-K232 WeakPolarHBondContact OE2-CE 3.32Å; E229-K232 IonicContact OE2-NZ 2.61Å; E229-K232 PolarHBondContact OE2-NZ 3.06Å; E229-K232 VanDerWaalsContact OE2-NZ 3.14Å; K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.07Å; K232-L447 HydrophobicContact CG-CD1 4.42Å; K232-E450 HydrophobicContact CD-CB 4.05Å |
| 233 | N | 95.8 | Very high | 94.9 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.6 | -47.4 | 178.7 | -167.4 | 58.4 | 0 | 0 | 0 | 112.6 | F223 E229 T230 V231 L235 R236 I237 | F223-N233 WeakPolarHBondContact CD2-ND2 3.39Å; F223-N233 WeakPolarHBondContact CE2-ND2 2.89Å; E229-N233 VanDerWaalsContact O-CB 3.26Å; E229-N233 WeakPolarHBondContact O-CB 3.31Å; E229-N233 PolarHBondContact O-N 2.84Å; T230-N233 PolarHBondContact O-N 3.08Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.16Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 3.41Å; N233-R236 PolarHBondContact O-N 3.3Å; N233-I237 WeakPolarHBondContact O-CG1 3.29Å; N233-I237 PolarHBondContact O-N 2.79Å |
| 234 | N | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 176.6 | -73.4 | -19.4 | 0 | 0 | 0 | 111.3 | L222 F223 T230 V231 R236 I237 L238 Y428 | L222-N234 HydrophobicContact CD2-CB 4.02Å; F223-N234 WeakPolarHBondContact CD2-OD1 3.39Å; F223-N234 PolarHBondContact N-OD1 3.36Å; F223-N234 PolarHBondContact O-ND2 3.43Å; T230-N234 WeakPolarHBondContact O-CB 3.3Å; T230-N234 PolarHBondContact O-N 3.19Å; T230-N234 PolarHBondContact O-ND2 2.96Å; V231-N234 PolarHBondContact O-N 3.33Å; N234-R236 PolarHBondContact O-N 3.01Å; N234-I237 PolarHBondContact O-N 3.22Å; N234-L238 WeakPolarHBondContact O-CB 3.39Å; N234-L238 VanDerWaalsContact O-CG 3.28Å; N234-L238 WeakPolarHBondContact O-CG 3.43Å; N234-L238 PolarHBondContact O-N 3.11Å; N234-Y428 HydrophobicContact CB-CD1 4.39Å; N234-Y428 HydrophobicContact CB-CE1 3.57Å; N234-Y428 HydrophobicContact CB-CE2 4.23Å; N234-Y428 VanDerWaalsContact CB-CZ 3.49Å; N234-Y428 WeakPolarHBondContact CB-OH 3.46Å; N234-Y428 PolarHBondContact ND2-OH 3.25Å |
| 235 | L | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.3 | -72.1 | 176.5 | 0 | 0 | 0 | 112.5 | V231 N233 F239 F425 Y428 Y429 L447 T451 | V231-L235 HydrophobicContact CG1-CD1 3.86Å; V231-L235 HydrophobicContact CG1-CG 4.28Å; V231-L235 WeakPolarHBondContact O-CB 3.36Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 3.31Å; N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 3.41Å; L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 2.83Å; L235-F425 HydrophobicContact CD2-CD2 4.46Å; L235-F425 HydrophobicContact CD2-CE2 3.89Å; L235-F425 HydrophobicContact CD2-CZ 4.47Å; L235-Y428 HydrophobicContact CD2-CD1 3.75Å; L235-Y428 HydrophobicContact CD2-CE1 4.05Å; L235-Y428 HydrophobicContact CG-CD1 4.31Å; L235-Y428 HydrophobicContact CG-CE1 4.11Å; L235-Y429 HydrophobicContact CD1-CD2 4.21Å; L235-Y429 HydrophobicContact CD1-CE2 4.19Å; L235-Y429 HydrophobicContact CD2-CD2 3.63Å; L235-Y429 HydrophobicContact CD2-CE2 4.4Å; L235-Y429 HydrophobicContact CD2-CG 4.48Å; L235-L447 HydrophobicContact CD1-CD2 4.05Å; L235-L447 HydrophobicContact CD1-CG 4.05Å; L235-T451 HydrophobicContact CB-CG2 3.72Å |
| 236 | R | 97.6 | Very high | 97 | Very high | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 173.9 | -75.2 | -175.9 | -67.4 | -99 | 4.2 | 111.6 | K232 N233 N234 N240 T451 F452 | K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.07Å; N233-R236 PolarHBondContact O-N 3.3Å; N234-R236 PolarHBondContact O-N 3.01Å; R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 VanDerWaalsContact O-CG 3.3Å; R236-N240 PolarHBondContact O-N 3.37Å; R236-N240 PolarHBondContact O-ND2 2.71Å; R236-T451 VanDerWaalsContact CD-O 3.3Å; R236-T451 WeakPolarHBondContact CD-O 3.24Å; R236-T451 HydrophobicContact CG-CG2 3.64Å; R236-T451 WeakPolarHBondContact CG-O 3.3Å; R236-T451 PolarHBondContact NH1-O 2.73Å; R236-F452 HydrophobicContact CG-CD1 4.34Å; R236-F452 HydrophobicContact CG-CE1 4.1Å |
| 237 | I | 96 | Very high | 97.3 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 179.8 | -69.1 | 166.6 | 0 | 0 | 0 | 110 | V219 F223 N233 N234 F239 N240 N241 | V219-I237 HydrophobicContact CG1-CG2 3.69Å; F223-I237 HydrophobicContact CE2-CD1 4.4Å; N233-I237 WeakPolarHBondContact O-CG1 3.29Å; N233-I237 PolarHBondContact O-N 2.79Å; N234-I237 PolarHBondContact O-N 3.22Å; I237-F239 PolarHBondContact O-N 3.26Å; I237-N240 PolarHBondContact O-N 2.73Å; I237-N241 WeakPolarHBondContact O-CB 3.34Å; I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.19Å |
| 238 | L | 96.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | -177.3 | -69.8 | 173.3 | 0 | 0 | 0 | 112.4 | L222 N234 N241 A242 R424 F425 Y428 | L222-L238 HydrophobicContact CD1-CD1 4.07Å; L222-L238 HydrophobicContact CD1-CD2 4.34Å; L222-L238 HydrophobicContact CD2-CD1 4.13Å; L222-L238 HydrophobicContact CD2-CD2 4.05Å; L222-L238 HydrophobicContact CD2-CG 3.92Å; N234-L238 WeakPolarHBondContact O-CB 3.39Å; N234-L238 VanDerWaalsContact O-CG 3.28Å; N234-L238 WeakPolarHBondContact O-CG 3.43Å; N234-L238 PolarHBondContact O-N 3.11Å; L238-N241 PolarHBondContact O-N 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.41Å; L238-R424 HydrophobicContact CD2-CB 4.1Å; L238-F425 HydrophobicContact CB-CB 4.26Å; L238-F425 HydrophobicContact CB-CD2 3.94Å; L238-Y428 HydrophobicContact CD1-CD1 3.66Å; L238-Y428 HydrophobicContact CD1-CD2 4.23Å; L238-Y428 HydrophobicContact CD1-CG 3.47Å; L238-Y428 VanDerWaalsContact CD1-CG 3.47Å |
| 239 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.5 | -166.9 | -106.2 | 0 | 0 | 0 | 112.2 | L235 I237 N241 A242 V243 L265 V266 T269 P419 F420 F425 F452 | L235-F239 VanDerWaalsContact O-CB 3.27Å; L235-F239 WeakPolarHBondContact O-CB 3.31Å; L235-F239 PolarHBondContact O-N 2.83Å; I237-F239 PolarHBondContact O-N 3.26Å; F239-N241 VanDerWaalsContact C-N 3.29Å; F239-N241 PolarHBondContact O-N 3.34Å; F239-A242 WeakPolarHBondContact O-CB 3.29Å; F239-A242 PolarHBondContact O-N 2.68Å; F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.3Å; F239-V243 PolarHBondContact O-N 2.65Å; F239-L265 HydrophobicContact CE1-CB 4.34Å; F239-V266 HydrophobicContact CZ-CG2 3.86Å; F239-T269 HydrophobicContact CD1-CG2 4.18Å; F239-T269 HydrophobicContact CE1-CG2 4.33Å; F239-P419 HydrophobicContact CE2-CB 4.46Å; F239-P419 HydrophobicContact CE2-CG 4.41Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; F239-F420 HydrophobicContact CD2-CE1 4.36Å; F239-F420 AromaticContact CE2-CD1 3.91Å; F239-F420 HydrophobicContact CE2-CD1 3.91Å; F239-F420 AromaticContact CE2-CD2 3.92Å; F239-F420 HydrophobicContact CE2-CD2 3.92Å; F239-F420 AromaticContact CE2-CE1 3.7Å; F239-F420 HydrophobicContact CE2-CE1 3.7Å; F239-F420 AromaticContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CG 4.01Å; F239-F420 AromaticContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CZ-CD2 4.3Å; F239-F420 HydrophobicContact CZ-CE1 4.29Å; F239-F420 AromaticContact CZ-CE2 3.76Å; F239-F420 HydrophobicContact CZ-CE2 3.76Å; F239-F420 AromaticContact CZ-CZ 3.75Å; F239-F420 HydrophobicContact CZ-CZ 3.75Å; F239-F425 HydrophobicContact CB-CD2 3.93Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CD2 4.21Å; F239-F425 HydrophobicContact CD2-CE1 4.26Å; F239-F425 AromaticContact CD2-CE2 3.91Å; F239-F425 HydrophobicContact CD2-CE2 3.91Å; F239-F425 AromaticContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CG-CE2 4.28Å; F239-F452 HydrophobicContact CB-CZ 4.06Å; F239-F452 HydrophobicContact CD1-CE1 4.29Å; F239-F452 HydrophobicContact CD1-CE2 4.49Å; F239-F452 AromaticContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CE1-CZ 4.38Å; F239-F452 HydrophobicContact CG-CZ 4.03Å |
| 240 | N | 98 | Very high | 97.6 | Very high | 29 Ų | 29 | 29 Ų | 29 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 172.1 | -76.4 | -57.4 | 0 | 0 | 0 | 110.7 | R236 I237 V243 K244 T269 | R236-N240 WeakPolarHBondContact O-CB 3.46Å; R236-N240 VanDerWaalsContact O-CG 3.3Å; R236-N240 PolarHBondContact O-N 3.37Å; R236-N240 PolarHBondContact O-ND2 2.71Å; I237-N240 PolarHBondContact O-N 2.73Å; N240-V243 PolarHBondContact O-N 3.02Å; N240-K244 VanDerWaalsContact O-CB 3.24Å; N240-K244 WeakPolarHBondContact O-CB 3.44Å; N240-K244 PolarHBondContact O-N 2.64Å; N240-T269 WeakPolarHBondContact OD1-CG2 3.15Å |
| 241 | N | 96.9 | Very high | 97.7 | Very high | 41 Ų | 41 | 31.1 Ų | 31.1 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.1 | -71 | -22.3 | 0 | 0 | 0 | 112.8 | V219 I237 L238 F239 V243 K244 K245 | V219-N241 WeakPolarHBondContact CG1-ND2 3.23Å; V219-N241 WeakPolarHBondContact CG2-ND2 2.81Å; I237-N241 WeakPolarHBondContact O-CB 3.34Å; I237-N241 PolarHBondContact O-N 3.14Å; I237-N241 PolarHBondContact O-ND2 3.19Å; L238-N241 PolarHBondContact O-N 3.31Å; F239-N241 VanDerWaalsContact C-N 3.29Å; F239-N241 PolarHBondContact O-N 3.34Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 2.73Å; N241-K244 PolarHBondContact O-N 3.46Å; N241-K245 WeakPolarHBondContact O-CG 3.35Å; N241-K245 PolarHBondContact O-N 3.36Å |
| 242 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L238 F239 R246 P419 D422 | L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.41Å; F239-A242 WeakPolarHBondContact O-CB 3.29Å; F239-A242 PolarHBondContact O-N 2.68Å; A242-R246 VanDerWaalsContact O-CD 3.24Å; A242-R246 WeakPolarHBondContact O-CD 3.42Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.26Å; A242-R246 PolarHBondContact O-NH1 2.73Å; A242-P419 HydrophobicContact CB-CB 4.1Å; A242-D422 HydrophobicContact CB-CB 3.46Å; A242-D422 VanDerWaalsContact CB-CB 3.46Å |
| 243 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.1 | -45.5 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | F239 N240 N241 K245 R246 L247 T269 L270 Q273 F362 P419 | F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 WeakPolarHBondContact O-CG2 3.3Å; F239-V243 PolarHBondContact O-N 2.65Å; N240-V243 PolarHBondContact O-N 3.02Å; N241-V243 VanDerWaalsContact C-N 3.32Å; N241-V243 PolarHBondContact O-N 2.73Å; V243-K245 PolarHBondContact O-N 3Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.32Å; V243-R246 WeakPolarHBondContact O-CB 3.39Å; V243-R246 PolarHBondContact O-N 2.71Å; V243-R246 VanDerWaalsContact O-N 3.13Å; V243-L247 PolarHBondContact O-N 3.13Å; V243-T269 HydrophobicContact CB-CG2 3.93Å; V243-T269 HydrophobicContact CG1-CG2 4.14Å; V243-T269 HydrophobicContact CG2-CG2 3.77Å; V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.13Å; V243-Q273 HydrophobicContact CB-CG 4.46Å; V243-Q273 HydrophobicContact CG1-CB 4.26Å; V243-Q273 HydrophobicContact CG1-CG 4.05Å; V243-F362 HydrophobicContact CG1-CE1 4.19Å; V243-P419 HydrophobicContact CG2-CB 3.82Å; V243-P419 HydrophobicContact CG2-CG 4.02Å |
| 244 | K | 98.6 | Very high | 98 | Very high | 117 Ų | 117 | 29.6 Ų | 29.6 | 51% | 0.509 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.1 | -47.7 | -177.5 | -172.1 | 175.4 | -174.7 | 165.8 | 0 | 113 | N240 N241 R246 L247 Q273 | N240-K244 VanDerWaalsContact O-CB 3.24Å; N240-K244 WeakPolarHBondContact O-CB 3.44Å; N240-K244 PolarHBondContact O-N 2.64Å; N241-K244 PolarHBondContact O-N 3.46Å; K244-R246 PolarHBondContact O-N 2.86Å; K244-L247 VanDerWaalsContact O-CB 3.31Å; K244-L247 WeakPolarHBondContact O-CB 3.19Å; K244-L247 WeakPolarHBondContact O-CG 3.43Å; K244-L247 PolarHBondContact O-N 3.46Å; K244-Q273 HydrophobicContact CB-CG 4.46Å |
| 245 | K | 97.9 | Very high | 98.1 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -27.2 | 178.9 | 76.7 | 177.9 | 79.2 | 166.2 | 0 | 112 | Y79 D118 N241 V243 L247 M248 D422 | Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.29Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; D118-K245 IonicContact OD1-NZ 3.59Å; D118-K245 WeakPolarHBondContact OD2-CD 3.5Å; D118-K245 WeakPolarHBondContact OD2-CE 3.15Å; D118-K245 IonicContact OD2-NZ 2.99Å; D118-K245 PolarHBondContact OD2-NZ 3.29Å; N241-K245 WeakPolarHBondContact O-CG 3.35Å; N241-K245 PolarHBondContact O-N 3.36Å; V243-K245 PolarHBondContact O-N 3Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.27Å; K245-M248 WeakPolarHBondContact O-CB 3.47Å; K245-D422 WeakPolarHBondContact CD-OD2 3.48Å; K245-D422 WeakPolarHBondContact CE-OD2 3.44Å; K245-D422 VanDerWaalsContact NZ-CG 3.29Å; K245-D422 IonicContact NZ-OD1 2.76Å; K245-D422 PolarHBondContact NZ-OD1 2.91Å; K245-D422 VanDerWaalsContact NZ-OD1 3.13Å; K245-D422 IonicContact NZ-OD2 3.54Å; K245-D422 PolarHBondContact NZ-OD2 3.17Å |
| 246 | R | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 5 | 174.8 | -73.7 | 168.9 | -179.1 | 66 | 3.4 | 113.4 | Y79 A242 V243 K244 M248 F362 R417 D422 | Y79-R246 HydrophobicContact CD1-CG 4.13Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.34Å; Y79-R246 HydrophobicContact CE1-CG 3.67Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; A242-R246 VanDerWaalsContact O-CD 3.24Å; A242-R246 WeakPolarHBondContact O-CD 3.42Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.26Å; A242-R246 PolarHBondContact O-NH1 2.73Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.32Å; V243-R246 WeakPolarHBondContact O-CB 3.39Å; V243-R246 PolarHBondContact O-N 2.71Å; V243-R246 VanDerWaalsContact O-N 3.13Å; K244-R246 PolarHBondContact O-N 2.86Å; R246-M248 PolarHBondContact O-N 3.1Å; R246-F362 HydrophobicContact CB-CE1 3.7Å; R246-F362 HydrophobicContact CB-CZ 3.55Å; R246-F362 WeakPolarHBondContact O-CZ 3.49Å; R246-R417 VanDerWaalsContact C-NH1 3.34Å; R246-R417 WeakPolarHBondContact O-CD 3.44Å; R246-R417 PolarHBondContact O-NH1 3.38Å; R246-D422 IonicContact CZ-OD2 3.81Å; R246-D422 IonicContact NH1-OD2 2.74Å; R246-D422 PolarHBondContact NH1-OD2 2.61Å; R246-D422 VanDerWaalsContact NH2-CA 3.29Å; R246-D422 IonicContact NH2-OD2 2.82Å; R246-D422 PolarHBondContact NH2-OD2 2.74Å |
| 247 | L | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.9 | 167.4 | -60.3 | -170.8 | 0 | 0 | 0 | 113.1 | V243 K244 K245 T249 I253 L270 Q273 L274 A277 F362 | V243-L247 PolarHBondContact O-N 3.13Å; K244-L247 VanDerWaalsContact O-CB 3.31Å; K244-L247 WeakPolarHBondContact O-CB 3.19Å; K244-L247 WeakPolarHBondContact O-CG 3.43Å; K244-L247 PolarHBondContact O-N 3.46Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.27Å; L247-T249 PolarHBondContact O-N 3.12Å; L247-I253 HydrophobicContact CD2-CD1 3.93Å; L247-L270 HydrophobicContact CD2-CD1 3.51Å; L247-Q273 HydrophobicContact CD1-CB 3.95Å; L247-L274 HydrophobicContact CD2-CD2 3.88Å; L247-L274 HydrophobicContact CD2-CG 4.31Å; L247-A277 HydrophobicContact CD1-CB 3.97Å; L247-F362 HydrophobicContact CD2-CZ 4.36Å |
| 248 | M | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 28 Ų | 28 | 15% | 0.153 | 14% | 0.137 | C | C | . | . | trans | -61.8 | 95.9 | -179.7 | 180 | -177 | 92.8 | 0 | 0 | 112.2 | V53 E77 Y79 Y81 D97 K245 R246 R417 | V53-M248 HydrophobicContact CG2-CE 4.34Å; V53-M248 HydrophobicContact CG2-CG 4.24Å; E77-M248 HydrophobicContact CB-CE 4.05Å; E77-M248 WeakPolarHBondContact OE2-CE 3.31Å; Y79-M248 HydrophobicContact CD1-CE 4.09Å; Y81-M248 HydrophobicContact CD1-CE 4.45Å; Y81-M248 HydrophobicContact CD1-SD 3.51Å; Y81-M248 VanDerWaalsContact CD1-SD 3.51Å; Y81-M248 HydrophobicContact CE1-CE 4.45Å; Y81-M248 HydrophobicContact CE1-CG 4.14Å; Y81-M248 HydrophobicContact CE1-SD 3.33Å; Y81-M248 WeakPolarHBondContact CE1-SD 3.01Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.25Å; K245-M248 WeakPolarHBondContact O-CB 3.47Å; R246-M248 PolarHBondContact O-N 3.1Å; M248-R417 VanDerWaalsContact O-CZ 3.23Å; M248-R417 PolarHBondContact O-NH1 3.1Å; M248-R417 PolarHBondContact O-NH2 3.09Å | ||
| 249 | T | 98.6 | Very high | 98.2 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | trans | -168.9 | 151.6 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | V52 L247 R251 I253 V360 | V52-T249 VanDerWaalsContact CG1-OG1 3.27Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.12Å; V52-T249 PolarHBondContact O-OG1 2.82Å; L247-T249 PolarHBondContact O-N 3.12Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 VanDerWaalsContact CG2-O 3.26Å; T249-R251 WeakPolarHBondContact CG2-O 3.19Å; T249-R251 WeakPolarHBondContact OG1-CB 3.2Å; T249-R251 PolarHBondContact OG1-N 2.83Å; T249-R251 PolarHBondContact OG1-O 2.57Å; T249-I253 HydrophobicContact CG2-CD1 3.65Å; T249-I253 HydrophobicContact CG2-CG1 3.55Å; T249-V360 HydrophobicContact CG2-CG2 4.13Å; T249-V360 WeakPolarHBondContact OG1-CG2 3.14Å | ||
| 250 | D | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 29 Ų | 29 | 56% | 0.556 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -95.1 | 8.4 | 168 | -62 | -49.4 | 0 | 0 | 0 | 111.7 | V52 D54 | V52-D250 PolarHBondContact O-N 3.05Å; D54-D250 PolarHBondContact N-OD2 2.85Å |
| 251 | R | 98.4 | Very high | 98 | Very high | 75 Ų | 75 | 28 Ų | 28 | 28% | 0.283 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -119.3 | 160.2 | -176 | -54.2 | -61.9 | -66.8 | -84.8 | 6.5 | 111.5 | D30 A51 T249 I253 V359 | D30-R251 IonicContact OD2-NH1 3.66Å; D30-R251 PolarHBondContact OD2-NH1 2.98Å; A51-R251 VanDerWaalsContact O-CD 3.32Å; A51-R251 WeakPolarHBondContact O-CD 3.36Å; A51-R251 WeakPolarHBondContact O-CG 3.32Å; A51-R251 PolarHBondContact O-NH1 3.03Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 VanDerWaalsContact CG2-O 3.26Å; T249-R251 WeakPolarHBondContact CG2-O 3.19Å; T249-R251 WeakPolarHBondContact OG1-CB 3.2Å; T249-R251 PolarHBondContact OG1-N 2.83Å; T249-R251 PolarHBondContact OG1-O 2.57Å; R251-I253 PolarHBondContact O-N 3.17Å; R251-V359 HydrophobicContact CB-CB 4.04Å; R251-V359 HydrophobicContact CB-CG1 4.47Å |
| 252 | R | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.3 | -180 | -165 | 180 | -175.5 | 175.9 | -1.1 | 111.3 | Y281 P282 Q284 E309 D357 V359 V360 | R252-Y281 HydrophobicContact CB-CE1 4.49Å; R252-Y281 HydrophobicContact CG-CD1 4.15Å; R252-Y281 HydrophobicContact CG-CD2 3.75Å; R252-Y281 HydrophobicContact CG-CE1 4.06Å; R252-Y281 HydrophobicContact CG-CE2 3.67Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; R252-P282 PolarHBondContact NH2-O 3.45Å; R252-Q284 VanDerWaalsContact CZ-CD 3.48Å; R252-Q284 VanDerWaalsContact NH2-CD 3.26Å; R252-E309 IonicContact NH2-OE2 2.82Å; R252-D357 VanDerWaalsContact CD-CG 3.46Å; R252-D357 WeakPolarHBondContact CD-OD1 3.13Å; R252-D357 WeakPolarHBondContact CD-OD2 2.99Å; R252-D357 IonicContact CZ-OD1 3.41Å; R252-D357 IonicContact NE-OD1 3.67Å; R252-D357 IonicContact NH1-OD1 2.71Å; R252-D357 PolarHBondContact NH1-OD1 2.72Å; R252-D357 IonicContact NH1-OD2 3.86Å; R252-V359 PolarHBondContact O-N 3.19Å; R252-V360 PolarHBondContact O-N 3.01Å; R252-V360 VanDerWaalsContact O-N 3.16Å |
| 253 | I | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.5 | 176.3 | -59.9 | 167 | 0 | 0 | 0 | 110.3 | L247 T249 R251 L270 L274 Y281 N358 V360 F362 | L247-I253 HydrophobicContact CD2-CD1 3.93Å; T249-I253 HydrophobicContact CG2-CD1 3.65Å; T249-I253 HydrophobicContact CG2-CG1 3.55Å; R251-I253 PolarHBondContact O-N 3.17Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 3.93Å; I253-L274 HydrophobicContact CD1-CD2 4Å; I253-Y281 WeakPolarHBondContact CB-OH 3.48Å; I253-Y281 PolarHBondContact N-OH 3.14Å; I253-N358 PolarHBondContact O-OD1 2.71Å; I253-V360 CarbonylContact C-O 3.59Å; I253-V360 VanDerWaalsContact CA-O 3.31Å; I253-V360 WeakPolarHBondContact CA-O 3.45Å; I253-V360 HydrophobicContact CG1-CB 4.1Å; I253-V360 HydrophobicContact CG1-CG1 4.17Å; I253-F362 HydrophobicContact CD1-CE2 4.42Å; I253-F362 HydrophobicContact CG2-CD2 3.49Å; I253-F362 VanDerWaalsContact CG2-CD2 3.49Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å |
| 254 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 178.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q284 N358 V360 I361 F362 | G254-Q284 WeakPolarHBondContact CA-O 3.38Å; G254-N358 WeakPolarHBondContact CA-OD1 3.44Å; G254-N358 PolarHBondContact N-OD1 2.61Å; G254-V360 PolarHBondContact N-O 2.98Å; G254-I361 WeakPolarHBondContact O-CA 3.14Å; G254-F362 PolarHBondContact O-N 3.44Å |
| 255 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.2 | 180 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | A267 L270 L283 Q284 T285 F286 F362 | C255-A267 HydrophobicContact CB-CB 4.48Å; C255-L270 HydrophobicContact CB-CD2 3.86Å; C255-L283 HydrophobicContact CB-CD1 4.35Å; C255-Q284 PolarHBondContact N-O 2.64Å; C255-Q284 VanDerWaalsContact N-O 3.07Å; C255-T285 HydrophobicContact CB-CG2 4.31Å; C255-T285 CarbonylContact O-C 3.56Å; C255-T285 VanDerWaalsContact O-CA 3.28Å; C255-T285 WeakPolarHBondContact O-CA 3.35Å; C255-F286 PolarHBondContact O-N 3.45Å; C255-F362 HydrophobicContact CB-CB 4.25Å |
| 256 | L | 98.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 19.9 Ų | 19.9 | 11% | 0.11 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.3 | 164.1 | -58.1 | -176.8 | 0 | 0 | 0 | 108.9 | F286 M345 I348 I352 I361 F362 | L256-F286 HydrophobicContact CD2-CB 4.17Å; L256-M345 HydrophobicContact CD1-CE 3.61Å; L256-M345 HydrophobicContact CD1-CG 4.47Å; L256-I348 HydrophobicContact CD2-CG1 4.31Å; L256-I348 HydrophobicContact CD2-CG2 4.22Å; L256-I352 HydrophobicContact CD2-CD1 3.87Å; L256-I361 HydrophobicContact CD1-CG2 4.38Å; L256-I361 HydrophobicContact CD2-CG2 3.86Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; L256-F362 PolarHBondContact N-O 2.66Å |
| 257 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -136.1 | 101.1 | -178.1 | 179 | 60.6 | 0 | 0 | 0 | 109.3 | A267 T285 F286 A287 A299 V302 A303 | L257-A267 HydrophobicContact CD1-CB 4.01Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.14Å; L257-F286 PolarHBondContact N-O 3.47Å; L257-A287 WeakPolarHBondContact O-CB 3.44Å; L257-A299 HydrophobicContact CG-CB 4.15Å; L257-A299 WeakPolarHBondContact O-CB 3.2Å; L257-V302 HydrophobicContact CD1-CB 4.12Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.18Å; L257-A303 HydrophobicContact CD2-CB 3.98Å | ||
| 258 | S | 96.3 | Very high | 98.2 | Very high | 31 Ų | 31 | 18.4 Ų | 18.4 | 22% | 0.217 | 10% | 0.099 | C | C | . | . | trans | -89.3 | -10.3 | 177.5 | 62 | 0 | 0 | 0 | 0 | 113.5 | G260 S263 D295 | S258-G260 PolarHBondContact O-N 3.45Å; S258-G260 PolarHBondContact OG-N 3.41Å; S258-S263 PolarHBondContact N-OG 3.27Å; S258-S263 VanDerWaalsContact N-OG 3.1Å; S258-S263 PolarHBondContact OG-OG 3.1Å; S258-D295 CarbonylContact O-C 3.58Å; S258-D295 WeakPolarHBondContact O-CA 3.48Å; S258-D295 VanDerWaalsContact O-CB 3.29Å; S258-D295 WeakPolarHBondContact O-CB 3.32Å | ||
| 259 | G | 94.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 76.7 | -1.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I462 | G259-I462 WeakPolarHBondContact O-CG2 3.42Š|
| 260 | G | 95.5 | Very high | 98.2 | Very high | 22 Ų | 22 | 15.5 Ų | 15.5 | 23% | 0.227 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -70.9 | 162 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S258 D262 S263 S264 | S258-G260 PolarHBondContact O-N 3.45Å; S258-G260 PolarHBondContact OG-N 3.41Å; G260-D262 VanDerWaalsContact C-N 3.33Å; G260-D262 PolarHBondContact O-N 3.22Å; G260-S263 PolarHBondContact O-OG 3.33Å; G260-S264 VanDerWaalsContact O-CB 3.24Å; G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.95Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.15Å |
| 261 | L | 97.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 4% | 0.042 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -49.4 | -51.2 | -176.2 | 176.9 | 65.4 | 0 | 0 | 0 | 112.6 | S264 L265 K445 L448 R449 I458 L463 | L261-S264 PolarHBondContact O-N 2.8Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.09Å; L261-L265 HydrophobicContact CG-CD1 4.01Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.19Å; L261-K445 HydrophobicContact CD2-CB 4.09Å; L261-K445 HydrophobicContact CD2-CD 3.88Å; L261-L448 HydrophobicContact CD2-CD2 4.04Å; L261-R449 HydrophobicContact CD1-CG 4.26Å; L261-R449 HydrophobicContact CD2-CG 3.63Å; L261-I458 HydrophobicContact CD1-CD1 4.12Å; L261-L463 HydrophobicContact CD1-CD1 3.86Å |
| 262 | D | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 12 Ų | 12 | 8% | 0.08 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.6 | -50.5 | -166.2 | -39.9 | -46.4 | 0 | 0 | 0 | 111.9 | G260 S264 L265 V266 S367 F420 K445 | G260-D262 VanDerWaalsContact C-N 3.33Å; G260-D262 PolarHBondContact O-N 3.22Å; D262-S264 PolarHBondContact O-N 3.25Å; D262-L265 PolarHBondContact O-N 3.44Å; D262-V266 WeakPolarHBondContact O-CG2 3.25Å; D262-V266 PolarHBondContact O-N 3.31Å; D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 2.86Å; D262-F420 HydrophobicContact CB-CE2 3.86Å; D262-F420 HydrophobicContact CB-CZ 4.21Å; D262-K445 IonicContact OD1-NZ 3.22Å; D262-K445 PolarHBondContact OD1-NZ 2.78Å; D262-K445 IonicContact OD2-NZ 3.13Å; D262-K445 PolarHBondContact OD2-NZ 3.18Å |
| 263 | S | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 10.7 Ų | 10.7 | 6% | 0.063 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | S258 G260 V266 A267 | S258-S263 PolarHBondContact N-OG 3.27Å; S258-S263 VanDerWaalsContact N-OG 3.1Å; S258-S263 PolarHBondContact OG-OG 3.1Å; G260-S263 PolarHBondContact O-OG 3.33Å; S263-V266 PolarHBondContact O-N 2.99Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.03Å |
| 264 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.2 | -45 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | G260 L261 D262 V266 A267 A268 V302 | G260-S264 VanDerWaalsContact O-CB 3.24Å; G260-S264 WeakPolarHBondContact O-CB 3.22Å; G260-S264 PolarHBondContact O-N 2.95Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.15Å; L261-S264 PolarHBondContact O-N 2.8Å; D262-S264 PolarHBondContact O-N 3.25Å; S264-V266 VanDerWaalsContact C-N 3.34Å; S264-A267 PolarHBondContact O-N 3.32Å; S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 2.94Å; S264-A268 PolarHBondContact O-N 3.47Å; S264-V302 WeakPolarHBondContact OG-CG2 3.4Å |
| 265 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.6 | -71.7 | 176.7 | 0 | 0 | 0 | 111.6 | F239 L261 D262 T269 L448 F452 L457 I458 | F239-L265 HydrophobicContact CE1-CB 4.34Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.09Å; L261-L265 HydrophobicContact CG-CD1 4.01Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.19Å; D262-L265 PolarHBondContact O-N 3.44Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.49Å; L265-T269 PolarHBondContact O-OG1 3.23Å; L265-L448 HydrophobicContact CD1-CD1 4.26Å; L265-L448 HydrophobicContact CD1-CD2 4.01Å; L265-L448 HydrophobicContact CD1-CG 3.89Å; L265-F452 HydrophobicContact CD1-CD2 3.68Å; L265-F452 HydrophobicContact CD1-CE2 3.95Å; L265-F452 HydrophobicContact CD1-CG 4.5Å; L265-F452 HydrophobicContact CD2-CB 3.74Å; L265-F452 HydrophobicContact CD2-CD1 4.22Å; L265-F452 HydrophobicContact CD2-CD2 3.64Å; L265-F452 HydrophobicContact CD2-CE2 4.3Å; L265-F452 HydrophobicContact CD2-CG 3.6Å; L265-F452 HydrophobicContact CG-CD2 4.29Å; L265-L457 HydrophobicContact CD2-CD2 4.2Å; L265-I458 HydrophobicContact CD2-CD1 3.94Å; L265-I458 HydrophobicContact CD2-CG1 4.45Å; L265-I458 HydrophobicContact CG-CD1 4.28Å |
| 266 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -54.4 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F239 D262 S263 S264 A268 T269 L270 F362 P419 F420 | F239-V266 HydrophobicContact CZ-CG2 3.86Å; D262-V266 WeakPolarHBondContact O-CG2 3.25Å; D262-V266 PolarHBondContact O-N 3.31Å; S263-V266 PolarHBondContact O-N 2.99Å; S264-V266 VanDerWaalsContact C-N 3.34Å; V266-A268 VanDerWaalsContact C-N 3.33Å; V266-A268 PolarHBondContact O-N 2.86Å; V266-T269 PolarHBondContact O-N 3.5Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.11Å; V266-F362 HydrophobicContact CG1-CG 4.48Å; V266-P419 HydrophobicContact CG1-CG 4.11Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; V266-F420 HydrophobicContact CG2-CD2 4.05Å; V266-F420 HydrophobicContact CG2-CE2 3.7Å |
| 267 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C255 L257 S263 S264 L270 L271 T285 I306 | C255-A267 HydrophobicContact CB-CB 4.48Å; L257-A267 HydrophobicContact CD1-CB 4.01Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.03Å; S264-A267 PolarHBondContact O-N 3.32Å; A267-L270 PolarHBondContact O-N 3.43Å; A267-L271 PolarHBondContact O-N 3.34Å; A267-T285 HydrophobicContact CB-CG2 4.45Å; A267-I306 HydrophobicContact CB-CD1 4.05Å |
| 268 | A | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.8 | -43.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S264 V266 L270 L271 K272 I306 L457 I458 | S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 2.94Å; S264-A268 PolarHBondContact O-N 3.47Å; V266-A268 VanDerWaalsContact C-N 3.33Å; V266-A268 PolarHBondContact O-N 2.86Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 3.46Å; A268-L271 PolarHBondContact O-N 2.86Å; A268-K272 PolarHBondContact O-N 3.45Å; A268-K272 VanDerWaalsContact O-N 3.09Å; A268-I306 HydrophobicContact CB-CG2 3.71Å; A268-L457 HydrophobicContact CB-CD1 3.6Å; A268-L457 HydrophobicContact CB-CD2 4.18Å; A268-L457 HydrophobicContact CB-CG 3.46Å; A268-L457 VanDerWaalsContact CB-CG 3.46Å; A268-L457 WeakPolarHBondContact CB-O 3.46Å; A268-I458 HydrophobicContact CB-CG2 3.71Å |
| 269 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | F239 N240 V243 L265 V266 K272 Q273 L457 | F239-T269 HydrophobicContact CD1-CG2 4.18Å; F239-T269 HydrophobicContact CE1-CG2 4.33Å; N240-T269 WeakPolarHBondContact OD1-CG2 3.15Å; V243-T269 HydrophobicContact CB-CG2 3.93Å; V243-T269 HydrophobicContact CG1-CG2 4.14Å; V243-T269 HydrophobicContact CG2-CG2 3.77Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.49Å; L265-T269 PolarHBondContact O-OG1 3.23Å; V266-T269 PolarHBondContact O-N 3.5Å; T269-K272 WeakPolarHBondContact O-CB 3.38Å; T269-K272 PolarHBondContact O-N 3.22Å; T269-Q273 HydrophobicContact CG2-CG 4.31Å; T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.11Å; T269-Q273 PolarHBondContact O-N 3.22Å; T269-L457 WeakPolarHBondContact OG1-CD2 3.44Å |
| 270 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 177.1 | 175.8 | 61.5 | 0 | 0 | 0 | 111.3 | V243 L247 I253 C255 V266 A267 A268 K272 Q273 L274 L283 F362 | V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.13Å; L247-L270 HydrophobicContact CD2-CD1 3.51Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 3.93Å; C255-L270 HydrophobicContact CB-CD2 3.86Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3Å; A267-L270 PolarHBondContact O-N 3.43Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 3.46Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.49Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CD2 4.49Å; L270-L274 HydrophobicContact CD1-CG 4.01Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.33Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.5Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.21Å; L270-L283 HydrophobicContact CG-CD1 4.25Å; L270-L283 HydrophobicContact CG-CD2 4.28Å; L270-F362 HydrophobicContact CD1-CD1 4.31Å; L270-F362 HydrophobicContact CD1-CD2 4.25Å; L270-F362 HydrophobicContact CD1-CE1 4.02Å; L270-F362 HydrophobicContact CD1-CE2 3.98Å; L270-F362 HydrophobicContact CD1-CG 4.39Å; L270-F362 HydrophobicContact CD1-CZ 3.82Å; L270-F362 HydrophobicContact CD2-CB 3.92Å; L270-F362 HydrophobicContact CD2-CD1 4.27Å; L270-F362 HydrophobicContact CD2-CD2 3.89Å; L270-F362 HydrophobicContact CD2-CE2 4.44Å; L270-F362 HydrophobicContact CD2-CG 3.78Å |
| 271 | L | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 178.3 | -174.6 | 62.9 | 0 | 0 | 0 | 112.1 | A267 A268 L274 K275 L283 I306 | A267-L271 PolarHBondContact O-N 3.34Å; A268-L271 PolarHBondContact O-N 2.86Å; L271-L274 PolarHBondContact O-N 3.4Å; L271-K275 HydrophobicContact CG-CD 4.39Å; L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.93Å; L271-L283 HydrophobicContact CB-CD2 3.81Å; L271-L283 HydrophobicContact CD1-CB 3.73Å; L271-L283 HydrophobicContact CD1-CD2 4.2Å; L271-I306 HydrophobicContact CD2-CB 3.86Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.44Å |
| 272 | K | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.8 | -50 | 173.5 | 175.5 | -173.5 | 169.3 | -170.6 | 0 | 110.9 | A268 T269 L270 L274 K275 E276 | A268-K272 PolarHBondContact O-N 3.45Å; A268-K272 VanDerWaalsContact O-N 3.09Å; T269-K272 WeakPolarHBondContact O-CB 3.38Å; T269-K272 PolarHBondContact O-N 3.22Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.49Å; K272-L274 PolarHBondContact O-N 2.81Å; K272-K275 PolarHBondContact O-N 3.43Å; K272-E276 WeakPolarHBondContact CE-OE1 3.37Å; K272-E276 WeakPolarHBondContact O-CG 3.18Å; K272-E276 PolarHBondContact O-N 2.95Å |
| 273 | Q | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -35.5 | -178.7 | -67.1 | -58.1 | -57 | 0 | 0 | 112.6 | V243 K244 L247 T269 L270 E276 A277 | V243-Q273 HydrophobicContact CB-CG 4.46Å; V243-Q273 HydrophobicContact CG1-CB 4.26Å; V243-Q273 HydrophobicContact CG1-CG 4.05Å; K244-Q273 HydrophobicContact CB-CG 4.46Å; L247-Q273 HydrophobicContact CD1-CB 3.95Å; T269-Q273 HydrophobicContact CG2-CG 4.31Å; T269-Q273 VanDerWaalsContact O-CG 3.31Å; T269-Q273 WeakPolarHBondContact O-CG 3.11Å; T269-Q273 PolarHBondContact O-N 3.22Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; Q273-E276 PolarHBondContact NE2-OE2 3.01Å; Q273-E276 PolarHBondContact O-N 2.98Å; Q273-E276 PolarHBondContact OE1-OE2 2.92Å; Q273-A277 VanDerWaalsContact O-CB 3.29Å; Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.25Å |
| 274 | L | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 173.3 | -72.4 | 172.1 | 0 | 0 | 0 | 111.9 | L247 I253 L270 L271 K272 A277 Q278 V279 L283 | L247-L274 HydrophobicContact CD2-CD2 3.88Å; L247-L274 HydrophobicContact CD2-CG 4.31Å; I253-L274 HydrophobicContact CD1-CD2 4Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CD2 4.49Å; L270-L274 HydrophobicContact CD1-CG 4.01Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.33Å; L270-L274 VanDerWaalsContact O-CG 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 3.5Å; L271-L274 PolarHBondContact O-N 3.4Å; K272-L274 PolarHBondContact O-N 2.81Å; L274-A277 CarbonylContact O-C 3.53Å; L274-A277 PolarHBondContact O-N 3.46Å; L274-Q278 PolarHBondContact O-N 2.99Å; L274-Q278 VanDerWaalsContact O-N 3.11Å; L274-V279 HydrophobicContact CB-CB 4.28Å; L274-V279 HydrophobicContact CD2-CB 4.04Å; L274-V279 HydrophobicContact CD2-CG1 4.16Å; L274-V279 HydrophobicContact CD2-CG2 3.76Å; L274-V279 PolarHBondContact O-N 3.38Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD1 3.89Å; L274-L283 HydrophobicContact CD1-CD2 4.48Å; L274-L283 HydrophobicContact CD1-CG 4.36Å |
| 275 | K | 98.4 | Very high | 98.6 | Very high | 138 Ų | 138 | 44.6 Ų | 44.6 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.8 | -45.3 | 174.5 | -73.4 | 174 | 179.8 | 174.9 | 0 | 111.5 | L271 K272 A277 Q278 | L271-K275 HydrophobicContact CG-CD 4.39Å; L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.93Å; K272-K275 PolarHBondContact O-N 3.43Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.34Å; K275-Q278 PolarHBondContact O-N 3.07Å |
| 276 | E | 98.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -36.2 | 175.3 | -73.8 | 174.6 | -167.3 | 0 | 0 | 112.2 | K272 Q273 Q278 | K272-E276 WeakPolarHBondContact CE-OE1 3.37Å; K272-E276 WeakPolarHBondContact O-CG 3.18Å; K272-E276 PolarHBondContact O-N 2.95Å; Q273-E276 PolarHBondContact NE2-OE2 3.01Å; Q273-E276 PolarHBondContact O-N 2.98Å; Q273-E276 PolarHBondContact OE1-OE2 2.92Å; E276-Q278 PolarHBondContact O-N 3.01Å |
| 277 | A | 98.3 | Very high | 98.6 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 2.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L247 Q273 L274 K275 V279 | L247-A277 HydrophobicContact CD1-CB 3.97Å; Q273-A277 VanDerWaalsContact O-CB 3.29Å; Q273-A277 WeakPolarHBondContact O-CB 3.42Å; Q273-A277 PolarHBondContact O-N 3.25Å; L274-A277 CarbonylContact O-C 3.53Å; L274-A277 PolarHBondContact O-N 3.46Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 3.34Å; A277-V279 HydrophobicContact CB-CG2 4.19Å; A277-V279 PolarHBondContact O-N 2.86Å |
| 278 | Q | 98.4 | Very high | 98.5 | Very high | 152 Ų | 152 | 45.2 Ų | 45.2 | 71% | 0.71 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.1 | 179.3 | -53.8 | 176.4 | 24.5 | 0 | 0 | 113.8 | L274 K275 E276 Q280 | L274-Q278 PolarHBondContact O-N 2.99Å; L274-Q278 VanDerWaalsContact O-N 3.11Å; K275-Q278 PolarHBondContact O-N 3.07Å; E276-Q278 PolarHBondContact O-N 3.01Å; Q278-Q280 PolarHBondContact O-N 3.18Å; Q278-Q280 PolarHBondContact O-NE2 2.67Å |
| 279 | V | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | trans | -67.9 | 130.4 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | L274 A277 Y281 | L274-V279 HydrophobicContact CB-CB 4.28Å; L274-V279 HydrophobicContact CD2-CB 4.04Å; L274-V279 HydrophobicContact CD2-CG1 4.16Å; L274-V279 HydrophobicContact CD2-CG2 3.76Å; L274-V279 PolarHBondContact O-N 3.38Å; A277-V279 HydrophobicContact CB-CG2 4.19Å; A277-V279 PolarHBondContact O-N 2.86Å; V279-Y281 HydrophobicContact CG1-CD1 3.66Å; V279-Y281 HydrophobicContact CG1-CD2 4.02Å; V279-Y281 HydrophobicContact CG1-CE1 3.35Å; V279-Y281 HydrophobicContact CG1-CE2 3.73Å; V279-Y281 HydrophobicContact CG1-CG 3.98Å | ||
| 280 | Q | 97.9 | Very high | 98 | Very high | 170 Ų | 170 | 45.7 Ų | 45.7 | 79% | 0.794 | 23% | 0.228 | S | C | * | . | trans | -89.9 | -26.4 | -168.1 | -60.9 | -61.1 | -46.3 | 0 | 0 | 114.2 | Q278 | Q278-Q280 PolarHBondContact O-N 3.18Å; Q278-Q280 PolarHBondContact O-NE2 2.67Å | ||
| 281 | Y | 98.3 | Very high | 97.4 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -77.4 | 147 | 178 | 60.1 | -106.8 | 0 | 0 | 0 | 110.7 | R252 I253 V279 | R252-Y281 HydrophobicContact CB-CE1 4.49Å; R252-Y281 HydrophobicContact CG-CD1 4.15Å; R252-Y281 HydrophobicContact CG-CD2 3.75Å; R252-Y281 HydrophobicContact CG-CE1 4.06Å; R252-Y281 HydrophobicContact CG-CE2 3.67Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; I253-Y281 WeakPolarHBondContact CB-OH 3.48Å; I253-Y281 PolarHBondContact N-OH 3.14Å; V279-Y281 HydrophobicContact CG1-CD1 3.66Å; V279-Y281 HydrophobicContact CG1-CD2 4.02Å; V279-Y281 HydrophobicContact CG1-CE1 3.35Å; V279-Y281 HydrophobicContact CG1-CE2 3.73Å; V279-Y281 HydrophobicContact CG1-CG 3.98Å |
| 282 | P | 97.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 139.7 | 172.5 | 27.7 | -33.8 | 0 | 0 | 0 | 110.5 | R252 Q284 E309 | R252-P282 PolarHBondContact NH2-O 3.45Å; P282-Q284 PolarHBondContact O-N 3.39Å; P282-E309 HydrophobicContact CB-CB 4.25Å; P282-E309 WeakPolarHBondContact CG-OE2 3.15Å |
| 283 | L | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 117.5 | 170.3 | 175.8 | 63.2 | 0 | 0 | 0 | 108.7 | C255 L270 L271 L274 T285 S308 E309 | C255-L283 HydrophobicContact CB-CD1 4.35Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.21Å; L270-L283 HydrophobicContact CG-CD1 4.25Å; L270-L283 HydrophobicContact CG-CD2 4.28Å; L271-L283 HydrophobicContact CB-CD2 3.81Å; L271-L283 HydrophobicContact CD1-CB 3.73Å; L271-L283 HydrophobicContact CD1-CD2 4.2Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD1 3.89Å; L274-L283 HydrophobicContact CD1-CD2 4.48Å; L274-L283 HydrophobicContact CD1-CG 4.36Å; L283-T285 HydrophobicContact CD2-CG2 4.21Å; L283-T285 HydrophobicContact CG-CG2 4.18Å; L283-S308 WeakPolarHBondContact O-CB 3.19Å; L283-E309 PolarHBondContact O-N 3.01Å |
| 284 | Q | 98.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 128.3 | 171.7 | -68 | -179.4 | -23.4 | 0 | 0 | 109.7 | R252 G254 C255 P282 F286 E309 Y311 N358 | R252-Q284 VanDerWaalsContact CZ-CD 3.48Å; R252-Q284 VanDerWaalsContact NH2-CD 3.26Å; G254-Q284 WeakPolarHBondContact CA-O 3.38Å; C255-Q284 PolarHBondContact N-O 2.64Å; C255-Q284 VanDerWaalsContact N-O 3.07Å; P282-Q284 PolarHBondContact O-N 3.39Å; Q284-F286 HydrophobicContact CB-CE2 3.87Å; Q284-F286 HydrophobicContact CB-CZ 3.66Å; Q284-E309 CarbonylContact C-O 3.6Å; Q284-E309 VanDerWaalsContact CA-O 3.24Å; Q284-E309 WeakPolarHBondContact CA-O 3.43Å; Q284-E309 HydrophobicContact CG-CB 4.02Å; Q284-E309 HydrophobicContact CG-CG 4.13Å; Q284-E309 PolarHBondContact NE2-OE1 3.45Å; Q284-Y311 HydrophobicContact CB-CD2 4.36Å; Q284-Y311 HydrophobicContact CB-CE2 4.03Å; Q284-Y311 HydrophobicContact CG-CE2 3.79Å; Q284-Y311 PolarHBondContact NE2-OH 3.4Å; Q284-Y311 VanDerWaalsContact NE2-OH 3.12Å; Q284-N358 PolarHBondContact OE1-ND2 3.03Å |
| 285 | T | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.2 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | C255 L257 A267 L283 S308 E309 H310 Y311 | C255-T285 HydrophobicContact CB-CG2 4.31Å; C255-T285 CarbonylContact O-C 3.56Å; C255-T285 VanDerWaalsContact O-CA 3.28Å; C255-T285 WeakPolarHBondContact O-CA 3.35Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.14Å; A267-T285 HydrophobicContact CB-CG2 4.45Å; L283-T285 HydrophobicContact CD2-CG2 4.21Å; L283-T285 HydrophobicContact CG-CG2 4.18Å; T285-S308 PolarHBondContact OG1-OG 3.12Å; T285-E309 PolarHBondContact N-O 3.28Å; T285-H310 PolarHBondContact O-ND1 3.47Å; T285-H310 PolarHBondContact OG1-ND1 3.46Å; T285-Y311 PolarHBondContact O-N 3.46Å |
| 286 | F | 98.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.1 | -170.6 | -58 | -81.6 | 0 | 0 | 0 | 111.1 | C255 L256 L257 Q284 Y311 I348 I352 T356 N358 | C255-F286 PolarHBondContact O-N 3.45Å; L256-F286 HydrophobicContact CD2-CB 4.17Å; L257-F286 PolarHBondContact N-O 3.47Å; Q284-F286 HydrophobicContact CB-CE2 3.87Å; Q284-F286 HydrophobicContact CB-CZ 3.66Å; F286-Y311 HydrophobicContact CD1-CD2 4.07Å; F286-Y311 HydrophobicContact CD1-CG 4.1Å; F286-Y311 AromaticContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CE2 4.17Å; F286-Y311 AromaticContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CZ-CD2 4.14Å; F286-Y311 HydrophobicContact CZ-CE2 4.49Å; F286-I348 HydrophobicContact CB-CD1 3.96Å; F286-I348 HydrophobicContact CB-CG1 3.95Å; F286-I352 HydrophobicContact CB-CD1 4.04Å; F286-I352 HydrophobicContact CB-CG1 4.28Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.57Å; F286-I352 HydrophobicContact CD2-CD1 3.76Å; F286-I352 HydrophobicContact CD2-CG1 3.83Å; F286-I352 HydrophobicContact CE1-CG1 3.81Å; F286-I352 HydrophobicContact CE2-CD1 4.31Å; F286-I352 HydrophobicContact CE2-CG1 4.04Å; F286-I352 HydrophobicContact CE2-CG2 4.48Å; F286-I352 HydrophobicContact CG-CD1 3.73Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 4.04Å; F286-I352 HydrophobicContact CZ-CG2 4.44Å; F286-T356 HydrophobicContact CE1-CG2 3.79Å; F286-T356 HydrophobicContact CZ-CG2 3.83Å; F286-N358 VanDerWaalsContact CZ-ND2 3.35Å; F286-N358 WeakPolarHBondContact CZ-ND2 3.07Å |
| 287 | A | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | L257 L296 A299 Y311 V313 | L257-A287 WeakPolarHBondContact O-CB 3.44Å; A287-L296 HydrophobicContact CB-CD2 3.7Å; A287-A299 HydrophobicContact CB-CB 3.59Å; A287-Y311 PolarHBondContact N-O 3.46Å; A287-V313 PolarHBondContact O-N 3.45Å |
| 288 | I | 97.6 | Very high | 95 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142 | 173.5 | -171.7 | 162.3 | 0 | 0 | 0 | 110.5 | V313 F315 G344 L347 I348 F470 I474 | I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.34Å; I288-V313 HydrophobicContact CB-CB 4.36Å; I288-V313 HydrophobicContact CD1-CB 4.47Å; I288-V313 HydrophobicContact CD1-CG1 4.09Å; I288-V313 HydrophobicContact CG1-CB 4.23Å; I288-V313 HydrophobicContact CG1-CG1 4.29Å; I288-V313 WeakPolarHBondContact CG1-O 3.38Å; I288-F315 HydrophobicContact CD1-CB 4.35Å; I288-F315 HydrophobicContact CD1-CD1 4.27Å; I288-F315 HydrophobicContact CG1-CD1 3.88Å; I288-G344 WeakPolarHBondContact CD1-O 3.44Å; I288-L347 HydrophobicContact CD1-CB 3.69Å; I288-I348 HydrophobicContact CB-CB 3.97Å; I288-I348 HydrophobicContact CB-CD1 4.14Å; I288-I348 HydrophobicContact CB-CG1 4.22Å; I288-I348 HydrophobicContact CD1-CB 3.98Å; I288-I348 HydrophobicContact CG2-CB 3.96Å; I288-I348 HydrophobicContact CG2-CG1 4.44Å; I288-I348 HydrophobicContact CG2-CG2 4.27Å; I288-F470 HydrophobicContact CG2-CE2 4.48Å; I288-F470 HydrophobicContact CG2-CZ 3.87Å; I288-I474 VanDerWaalsContact O-CG2 3.23Å; I288-I474 WeakPolarHBondContact O-CG2 3.47Å |
| 289 | G | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 169 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V313 L314 F315 I474 | G289-V313 PolarHBondContact N-O 3.46Å; G289-V313 VanDerWaalsContact N-O 3.07Å; G289-L314 WeakPolarHBondContact O-CA 3.32Å; G289-F315 PolarHBondContact O-N 3.09Å; G289-F315 VanDerWaalsContact O-N 3.17Å; G289-I474 CarbonylContact C-O 3.48Å; G289-I474 WeakPolarHBondContact CA-O 3.19Å |
| 290 | M | 91.9 | Very high | 95 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -72.6 | 164.9 | 161.6 | -65.9 | 178.9 | 168.2 | 0 | 0 | 109.9 | D292 S293 L296 F315 I474 W481 I484 | M290-D292 PolarHBondContact O-N 3.39Å; M290-S293 WeakPolarHBondContact O-CB 3.46Å; M290-S293 PolarHBondContact O-N 2.98Å; M290-S293 VanDerWaalsContact O-N 3.13Å; M290-L296 WeakPolarHBondContact O-CD1 3.28Å; M290-F315 HydrophobicContact CE-CE2 3.81Å; M290-F315 HydrophobicContact CE-CZ 3.87Å; M290-F315 HydrophobicContact CG-CD1 4.45Å; M290-F315 HydrophobicContact CG-CE1 3.9Å; M290-F315 HydrophobicContact CG-CE2 4.39Å; M290-F315 HydrophobicContact CG-CZ 3.87Å; M290-I474 PolarHBondContact N-O 3.4Å; M290-W481 HydrophobicContact CE-CB 4.15Å; M290-W481 HydrophobicContact CE-CD2 4.41Å; M290-W481 HydrophobicContact CE-CE3 3.71Å; M290-I484 HydrophobicContact CE-CD1 3.63Å; M290-I484 HydrophobicContact SD-CD1 4.07Å |
| 291 | E | 85.7 | Confident | 95 | Very high | 128 Ų | 128 | 34.5 Ų | 34.5 | 60% | 0.598 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 135.9 | 175.5 | -167.4 | -179.7 | -166.2 | 0 | 0 | 111.5 | S293 S476 | E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.15Å; E291-S476 WeakPolarHBondContact O-CB 3.48Å; E291-S476 PolarHBondContact O-OG 3.23Å |
| 292 | D | 85.9 | Confident | 95 | Very high | 82 Ų | 82 | 31.2 Ų | 31.2 | 44% | 0.439 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 19.7 | -177.7 | -53.4 | -42.7 | 0 | 0 | 0 | 115.7 | M290 K478 | M290-D292 PolarHBondContact O-N 3.39Å; D292-K478 IonicContact OD2-NZ 3.73Å |
| 293 | S | 89.6 | Confident | 95 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -64.5 | 143.8 | 179.8 | 92.7 | 0 | 0 | 0 | 0 | 112.7 | M290 E291 D295 L296 L297 G473 T475 | M290-S293 WeakPolarHBondContact O-CB 3.46Å; M290-S293 PolarHBondContact O-N 2.98Å; M290-S293 VanDerWaalsContact O-N 3.13Å; E291-S293 VanDerWaalsContact C-N 3.28Å; E291-S293 PolarHBondContact O-N 3.15Å; S293-D295 VanDerWaalsContact C-N 3.25Å; S293-D295 PolarHBondContact O-N 3.35Å; S293-L296 PolarHBondContact O-N 3.16Å; S293-L296 VanDerWaalsContact OG-CG 3.32Å; S293-L296 WeakPolarHBondContact OG-CG 3.4Å; S293-L296 PolarHBondContact OG-N 3.16Å; S293-L297 PolarHBondContact O-N 3.49Å; S293-G473 WeakPolarHBondContact CB-O 3.38Å; S293-G473 PolarHBondContact OG-O 3.46Å; S293-T475 WeakPolarHBondContact CA-O 3.38Å; S293-T475 VanDerWaalsContact CB-O 3.24Å; S293-T475 WeakPolarHBondContact CB-O 3.43Å | ||
| 294 | P | 88.4 | Confident | 95 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 25% | 0.253 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.1 | -24.1 | -178.4 | 30.2 | -37.8 | 0 | 0 | 0 | 113 | A298 R465 G473 T475 | P294-A298 PolarHBondContact O-N 2.95Å; P294-R465 PolarHBondContact O-NH1 3.17Å; P294-R465 VanDerWaalsContact O-NH1 3.08Å; P294-G473 WeakPolarHBondContact CD-O 3.38Å; P294-T475 WeakPolarHBondContact CD-O 3.35Å |
| 295 | D | 90.3 | Very high | 95 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.6 | -42.9 | 172 | -82 | 4.7 | 0 | 0 | 0 | 111.8 | S258 S293 L297 A298 A299 R465 G473 | S258-D295 CarbonylContact O-C 3.58Å; S258-D295 WeakPolarHBondContact O-CA 3.48Å; S258-D295 VanDerWaalsContact O-CB 3.29Å; S258-D295 WeakPolarHBondContact O-CB 3.32Å; S293-D295 VanDerWaalsContact C-N 3.25Å; S293-D295 PolarHBondContact O-N 3.35Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.01Å; D295-A298 PolarHBondContact O-N 2.78Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.08Å; D295-A299 PolarHBondContact O-N 3.45Å; D295-R465 IonicContact OD1-NH2 2.8Å; D295-G473 WeakPolarHBondContact CB-O 3.43Å; D295-G473 PolarHBondContact N-O 3.09Å; D295-G473 WeakPolarHBondContact OD1-CA 3.36Å; D295-G473 VanDerWaalsContact OD2-CA 3.3Å; D295-G473 WeakPolarHBondContact OD2-CA 3.49Å |
| 296 | L | 95.1 | Very high | 95 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.3 | -71.7 | 177.3 | 0 | 0 | 0 | 111.2 | A287 M290 S293 A298 A299 R300 E312 L314 | A287-L296 HydrophobicContact CB-CD2 3.7Å; M290-L296 WeakPolarHBondContact O-CD1 3.28Å; S293-L296 PolarHBondContact O-N 3.16Å; S293-L296 VanDerWaalsContact OG-CG 3.32Å; S293-L296 WeakPolarHBondContact OG-CG 3.4Å; S293-L296 PolarHBondContact OG-N 3.16Å; L296-A298 PolarHBondContact O-N 3.27Å; L296-A299 PolarHBondContact O-N 2.89Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.47Å; L296-E312 HydrophobicContact CD2-CB 4.15Å; L296-E312 HydrophobicContact CD2-CG 4.19Å; L296-L314 HydrophobicContact CD1-CD2 3.46Å; L296-L314 VanDerWaalsContact CD1-CD2 3.46Å |
| 297 | L | 94.4 | Very high | 95 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.5 | -68.5 | 175.2 | 0 | 0 | 0 | 112.6 | S293 D295 K301 | S293-L297 PolarHBondContact O-N 3.49Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.01Å; L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 2.75Å |
| 298 | A | 96.3 | Very high | 95 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.1 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P294 D295 L296 R300 K301 V302 I462 | P294-A298 PolarHBondContact O-N 2.95Å; D295-A298 PolarHBondContact O-N 2.78Å; L296-A298 PolarHBondContact O-N 3.27Å; A298-R300 VanDerWaalsContact C-N 3.29Å; A298-R300 PolarHBondContact O-N 3.14Å; A298-K301 WeakPolarHBondContact O-CB 3.28Å; A298-K301 PolarHBondContact O-N 2.73Å; A298-K301 VanDerWaalsContact O-N 3.15Å; A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 2.94Å; A298-I462 HydrophobicContact CB-CD1 3.67Å |
| 299 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | L257 A287 D295 L296 K301 V302 A303 | L257-A299 HydrophobicContact CG-CB 4.15Å; L257-A299 WeakPolarHBondContact O-CB 3.2Å; A287-A299 HydrophobicContact CB-CB 3.59Å; D295-A299 VanDerWaalsContact O-CB 3.23Å; D295-A299 WeakPolarHBondContact O-CB 3.08Å; D295-A299 PolarHBondContact O-N 3.45Å; L296-A299 PolarHBondContact O-N 2.89Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.43Å; A299-V302 PolarHBondContact O-N 3.5Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.32Å; A299-A303 PolarHBondContact O-N 3.26Å |
| 300 | R | 98.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 46.4 Ų | 46.4 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.8 | -45.1 | 174.4 | -166 | -176.4 | -63 | 150.2 | 3 | 112.6 | L296 A298 A303 N304 E312 | L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.47Å; A298-R300 VanDerWaalsContact C-N 3.29Å; A298-R300 PolarHBondContact O-N 3.14Å; R300-A303 PolarHBondContact O-N 3.33Å; R300-N304 WeakPolarHBondContact O-CB 3.3Å; R300-N304 PolarHBondContact O-N 3.08Å; R300-N304 PolarHBondContact O-ND2 3Å; R300-E312 VanDerWaalsContact CB-OE1 3.31Å; R300-E312 WeakPolarHBondContact CB-OE1 3.43Å; R300-E312 WeakPolarHBondContact CG-OE1 3.5Å; R300-E312 IonicContact CZ-OE1 3.47Å; R300-E312 IonicContact CZ-OE2 3.86Å; R300-E312 IonicContact NE-OE1 3.98Å; R300-E312 PolarHBondContact NE-OE1 3.42Å; R300-E312 IonicContact NE-OE2 3.19Å; R300-E312 IonicContact NH2-OE1 3.46Å; R300-E312 PolarHBondContact NH2-OE1 3.09Å; R300-E312 IonicContact NH2-OE2 2.8Å; R300-E312 PolarHBondContact NH2-OE2 3.39Å |
| 301 | K | 98.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -45 | 178.8 | -72.3 | 176.4 | 174.2 | -168 | 0 | 111.9 | L297 A298 A299 N304 H305 E461 | L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 2.75Å; A298-K301 WeakPolarHBondContact O-CB 3.28Å; A298-K301 PolarHBondContact O-N 2.73Å; A298-K301 VanDerWaalsContact O-N 3.15Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.43Å; K301-N304 PolarHBondContact O-N 3.16Å; K301-H305 WeakPolarHBondContact O-CB 3.44Å; K301-H305 PolarHBondContact O-N 3.45Å; K301-E461 WeakPolarHBondContact CD-OE1 3.48Å; K301-E461 WeakPolarHBondContact CE-OE1 3.42Å; K301-E461 IonicContact NZ-OE1 2.71Å; K301-E461 PolarHBondContact NZ-OE1 2.86Å |
| 302 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | L257 S264 A298 A299 N304 H305 I306 I458 I462 | L257-V302 HydrophobicContact CD1-CB 4.12Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.18Å; S264-V302 WeakPolarHBondContact OG-CG2 3.4Å; A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 2.94Å; A299-V302 PolarHBondContact O-N 3.5Å; V302-N304 VanDerWaalsContact C-N 3.32Å; V302-N304 PolarHBondContact O-N 3.3Å; V302-H305 WeakPolarHBondContact O-CB 3.47Å; V302-H305 PolarHBondContact O-N 3.19Å; V302-H305 VanDerWaalsContact O-N 3.11Å; V302-I306 HydrophobicContact CG1-CG2 4.37Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 3.09Å; V302-I458 HydrophobicContact CG1-CG2 4.33Å; V302-I462 HydrophobicContact CG2-CB 4.24Å; V302-I462 HydrophobicContact CG2-CD1 4.35Å; V302-I462 HydrophobicContact CG2-CG1 3.79Å; V302-I462 HydrophobicContact CG2-CG2 3.81Å |
| 303 | A | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 A299 R300 G307 S308 H310 | L257-A303 HydrophobicContact CD2-CB 3.98Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.32Å; A299-A303 PolarHBondContact O-N 3.26Å; R300-A303 PolarHBondContact O-N 3.33Å; A303-G307 WeakPolarHBondContact O-CA 3.32Å; A303-G307 PolarHBondContact O-N 3.11Å; A303-S308 WeakPolarHBondContact CA-OG 3.41Å; A303-S308 WeakPolarHBondContact CB-OG 3.16Å; A303-S308 PolarHBondContact O-N 2.54Å; A303-S308 VanDerWaalsContact O-N 3.15Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.46Å |
| 304 | N | 98.7 | Very high | 97.1 | Very high | 123 Ų | 123 | 46.8 Ų | 46.8 | 66% | 0.658 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.2 | -39.5 | 174.7 | -72.1 | -16.4 | 0 | 0 | 0 | 112.2 | R300 K301 V302 | R300-N304 WeakPolarHBondContact O-CB 3.3Å; R300-N304 PolarHBondContact O-N 3.08Å; R300-N304 PolarHBondContact O-ND2 3Å; K301-N304 PolarHBondContact O-N 3.16Å; V302-N304 VanDerWaalsContact C-N 3.32Å; V302-N304 PolarHBondContact O-N 3.3Å |
| 305 | H | 98.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -46 | 178.6 | -176.8 | 91.9 | 0 | 0 | 0 | 112.2 | K301 V302 N456 L457 P459 | K301-H305 WeakPolarHBondContact O-CB 3.44Å; K301-H305 PolarHBondContact O-N 3.45Å; V302-H305 WeakPolarHBondContact O-CB 3.47Å; V302-H305 PolarHBondContact O-N 3.19Å; V302-H305 VanDerWaalsContact O-N 3.11Å; H305-N456 PolarHBondContact NE2-O 3.03Å; H305-L457 PolarHBondContact CD2-O 2.82Å; H305-P459 HydrophobicContact CB-CG 3.73Å |
| 306 | I | 98.4 | Very high | 97.4 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82.4 | -24.3 | -177.6 | 71.8 | -179.8 | 0 | 0 | 0 | 112.2 | A267 A268 L271 V302 | A267-I306 HydrophobicContact CB-CD1 4.05Å; A268-I306 HydrophobicContact CB-CG2 3.71Å; L271-I306 HydrophobicContact CD2-CB 3.86Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.44Å; V302-I306 HydrophobicContact CG1-CG2 4.37Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 3.09Å |
| 307 | G | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 43.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A303 | A303-G307 WeakPolarHBondContact O-CA 3.32Å; A303-G307 PolarHBondContact O-N 3.11Å |
| 308 | S | 98.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | trans | -85.7 | 154.6 | 173.3 | 59.7 | 0 | 0 | 0 | 0 | 112 | L283 T285 A303 H310 | L283-S308 WeakPolarHBondContact O-CB 3.19Å; T285-S308 PolarHBondContact OG1-OG 3.12Å; A303-S308 WeakPolarHBondContact CA-OG 3.41Å; A303-S308 WeakPolarHBondContact CB-OG 3.16Å; A303-S308 PolarHBondContact O-N 2.54Å; A303-S308 VanDerWaalsContact O-N 3.15Å; S308-H310 PolarHBondContact O-N 3.38Å | ||
| 309 | E | 98.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 100.1 | 168.4 | -175.8 | -177.3 | 149 | 0 | 0 | 109.2 | R252 P282 L283 Q284 T285 Y311 | R252-E309 IonicContact NH2-OE2 2.82Å; P282-E309 HydrophobicContact CB-CB 4.25Å; P282-E309 WeakPolarHBondContact CG-OE2 3.15Å; L283-E309 PolarHBondContact O-N 3.01Å; Q284-E309 CarbonylContact C-O 3.6Å; Q284-E309 VanDerWaalsContact CA-O 3.24Å; Q284-E309 WeakPolarHBondContact CA-O 3.43Å; Q284-E309 HydrophobicContact CG-CB 4.02Å; Q284-E309 HydrophobicContact CG-CG 4.13Å; Q284-E309 PolarHBondContact NE2-OE1 3.45Å; T285-E309 PolarHBondContact N-O 3.28Å; E309-Y311 HydrophobicContact CG-CE2 4.07Å; E309-Y311 PolarHBondContact OE1-OH 2.92Å |
| 310 | H | 98.8 | Very high | 97 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.7 | -166.4 | -163.8 | 47.4 | 0 | 0 | 0 | 113.5 | T285 A303 S308 E312 | T285-H310 PolarHBondContact O-ND1 3.47Å; T285-H310 PolarHBondContact OG1-ND1 3.46Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.46Å; S308-H310 PolarHBondContact O-N 3.38Å; H310-E312 IonicContact CD2-OE1 3.95Å |
| 311 | Y | 98.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119 | 173.4 | -66.2 | -93.4 | 0 | 0 | 0 | 109.9 | Q284 T285 F286 A287 E309 Y351 | Q284-Y311 HydrophobicContact CB-CD2 4.36Å; Q284-Y311 HydrophobicContact CB-CE2 4.03Å; Q284-Y311 HydrophobicContact CG-CE2 3.79Å; Q284-Y311 PolarHBondContact NE2-OH 3.4Å; Q284-Y311 VanDerWaalsContact NE2-OH 3.12Å; T285-Y311 PolarHBondContact O-N 3.46Å; F286-Y311 HydrophobicContact CD1-CD2 4.07Å; F286-Y311 HydrophobicContact CD1-CG 4.1Å; F286-Y311 AromaticContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CD2 3.54Å; F286-Y311 HydrophobicContact CE1-CE2 4.17Å; F286-Y311 AromaticContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CE1-CG 3.84Å; F286-Y311 HydrophobicContact CZ-CD2 4.14Å; F286-Y311 HydrophobicContact CZ-CE2 4.49Å; A287-Y311 PolarHBondContact N-O 3.46Å; E309-Y311 HydrophobicContact CG-CE2 4.07Å; E309-Y311 PolarHBondContact OE1-OH 2.92Å; Y311-Y351 HydrophobicContact CD1-CE1 4.01Å; Y311-Y351 WeakPolarHBondContact CD1-OH 3.38Å; Y311-Y351 HydrophobicContact CG-CE1 4.37Å |
| 312 | E | 98.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.8 | 169.9 | -68.2 | 179.5 | -165.7 | 0 | 0 | 109.1 | L296 R300 H310 | L296-E312 HydrophobicContact CD2-CB 4.15Å; L296-E312 HydrophobicContact CD2-CG 4.19Å; R300-E312 VanDerWaalsContact CB-OE1 3.31Å; R300-E312 WeakPolarHBondContact CB-OE1 3.43Å; R300-E312 WeakPolarHBondContact CG-OE1 3.5Å; R300-E312 IonicContact CZ-OE1 3.47Å; R300-E312 IonicContact CZ-OE2 3.86Å; R300-E312 IonicContact NE-OE1 3.98Å; R300-E312 PolarHBondContact NE-OE1 3.42Å; R300-E312 IonicContact NE-OE2 3.19Å; R300-E312 IonicContact NH2-OE1 3.46Å; R300-E312 PolarHBondContact NH2-OE1 3.09Å; R300-E312 IonicContact NH2-OE2 2.8Å; R300-E312 PolarHBondContact NH2-OE2 3.39Å; H310-E312 IonicContact CD2-OE1 3.95Å |
| 313 | V | 97.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.4 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | A287 I288 G289 I348 Y351 | A287-V313 PolarHBondContact O-N 3.45Å; I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.34Å; I288-V313 HydrophobicContact CB-CB 4.36Å; I288-V313 HydrophobicContact CD1-CB 4.47Å; I288-V313 HydrophobicContact CD1-CG1 4.09Å; I288-V313 HydrophobicContact CG1-CB 4.23Å; I288-V313 HydrophobicContact CG1-CG1 4.29Å; I288-V313 WeakPolarHBondContact CG1-O 3.38Å; G289-V313 PolarHBondContact N-O 3.46Å; G289-V313 VanDerWaalsContact N-O 3.07Å; V313-I348 HydrophobicContact CB-CD1 3.63Å; V313-I348 HydrophobicContact CG1-CD1 4.29Å; V313-I348 HydrophobicContact CG2-CD1 3.22Å; V313-Y351 HydrophobicContact CB-CD2 4.48Å; V313-Y351 HydrophobicContact CG1-CD2 3.94Å; V313-Y351 HydrophobicContact CG1-CG 4.2Å; V313-Y351 HydrophobicContact CG2-CD1 3.58Å; V313-Y351 HydrophobicContact CG2-CD2 3.68Å; V313-Y351 HydrophobicContact CG2-CE1 3.83Å; V313-Y351 HydrophobicContact CG2-CE2 3.91Å; V313-Y351 HydrophobicContact CG2-CG 3.52Å |
| 314 | L | 96.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.9 | 173.6 | -57.7 | -178.4 | 0 | 0 | 0 | 108.9 | G289 L296 | G289-L314 WeakPolarHBondContact O-CA 3.32Å; L296-L314 HydrophobicContact CD1-CD2 3.46Å; L296-L314 VanDerWaalsContact CD1-CD2 3.46Å |
| 315 | F | 93.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -115.5 | 147.3 | 166.6 | 82.2 | -76.7 | 0 | 0 | 0 | 109.5 | I288 G289 M290 L347 I474 W481 | I288-F315 HydrophobicContact CD1-CB 4.35Å; I288-F315 HydrophobicContact CD1-CD1 4.27Å; I288-F315 HydrophobicContact CG1-CD1 3.88Å; G289-F315 PolarHBondContact O-N 3.09Å; G289-F315 VanDerWaalsContact O-N 3.17Å; M290-F315 HydrophobicContact CE-CE2 3.81Å; M290-F315 HydrophobicContact CE-CZ 3.87Å; M290-F315 HydrophobicContact CG-CD1 4.45Å; M290-F315 HydrophobicContact CG-CE1 3.9Å; M290-F315 HydrophobicContact CG-CE2 4.39Å; M290-F315 HydrophobicContact CG-CZ 3.87Å; F315-L347 HydrophobicContact CB-CD1 3.87Å; F315-L347 HydrophobicContact CD2-CD1 4.05Å; F315-L347 HydrophobicContact CG-CD1 4.14Å; F315-I474 HydrophobicContact CE1-CB 4.34Å; F315-I474 HydrophobicContact CE1-CD1 4.05Å; F315-I474 HydrophobicContact CE1-CG1 4.34Å; F315-I474 HydrophobicContact CZ-CD1 4.01Å; F315-I474 HydrophobicContact CZ-CG1 4.43Å; F315-W481 HydrophobicContact CE2-CD2 4.42Å; F315-W481 HydrophobicContact CE2-CE3 4.24Å | ||
| 316 | N | 91.4 | Very high | 96.8 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | trans | -101.3 | 167.1 | 175.3 | 71.3 | 52.4 | 0 | 0 | 0 | 111.2 | E318 E319 G320 | N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.32Å; N316-E318 PolarHBondContact OD1-N 3.15Å; N316-E319 PolarHBondContact O-N 2.88Å; N316-E319 WeakPolarHBondContact OD1-CB 3.44Å; N316-E319 PolarHBondContact OD1-N 3.38Å; N316-G320 PolarHBondContact O-N 3.41Å | ||
| 317 | S | 91.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | G320 I321 | S317-G320 PolarHBondContact O-N 2.91Å; S317-I321 VanDerWaalsContact O-CG1 3.29Å; S317-I321 WeakPolarHBondContact O-CG1 3.17Å; S317-I321 PolarHBondContact O-N 3.48Å |
| 318 | E | 94.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68.4 | -46 | -178.8 | -177.1 | -178.7 | 172.3 | 0 | 0 | 110.7 | N316 G320 I321 Q322 | N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.32Å; N316-E318 PolarHBondContact OD1-N 3.15Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 3.12Å; E318-I321 PolarHBondContact O-N 2.94Å; E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.36Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.43Å; E318-Q322 PolarHBondContact O-N 3.38Å; E318-Q322 PolarHBondContact OE1-NE2 2.89Å |
| 319 | E | 95.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 174.6 | -176.9 | 179 | -161.9 | 0 | 0 | 111.1 | N316 I321 Q322 A323 L347 | N316-E319 PolarHBondContact O-N 2.88Å; N316-E319 WeakPolarHBondContact OD1-CB 3.44Å; N316-E319 PolarHBondContact OD1-N 3.38Å; E319-I321 PolarHBondContact O-N 2.72Å; E319-Q322 PolarHBondContact O-N 3.06Å; E319-A323 WeakPolarHBondContact O-CB 3.4Å; E319-A323 PolarHBondContact O-N 2.61Å; E319-L347 HydrophobicContact CG-CD1 4Å; E319-L347 HydrophobicContact CG-CD2 3.99Å |
| 320 | G | 94.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N316 S317 E318 A323 | N316-G320 PolarHBondContact O-N 3.41Å; S317-G320 PolarHBondContact O-N 2.91Å; E318-G320 VanDerWaalsContact C-N 3.32Å; E318-G320 PolarHBondContact O-N 3.12Å; G320-A323 PolarHBondContact O-N 2.85Å |
| 321 | I | 96.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -44.8 | 179.3 | -72 | 165.7 | 0 | 0 | 0 | 110.8 | S317 E318 E319 A323 L324 W481 I484 Y488 | S317-I321 VanDerWaalsContact O-CG1 3.29Å; S317-I321 WeakPolarHBondContact O-CG1 3.17Å; S317-I321 PolarHBondContact O-N 3.48Å; E318-I321 PolarHBondContact O-N 2.94Å; E319-I321 PolarHBondContact O-N 2.72Å; I321-A323 PolarHBondContact O-N 3.25Å; I321-L324 WeakPolarHBondContact O-CB 3.39Å; I321-L324 WeakPolarHBondContact O-CG 3.31Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.15Å; I321-W481 HydrophobicContact CG1-CH2 4.09Å; I321-W481 HydrophobicContact CG1-CZ3 4.13Å; I321-I484 HydrophobicContact CD1-CG2 3.95Å; I321-Y488 HydrophobicContact CD1-CD2 4.02Å; I321-Y488 HydrophobicContact CD1-CG 3.96Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 4.03Å; I321-Y488 HydrophobicContact CG2-CD2 3.96Å; I321-Y488 HydrophobicContact CG2-CE1 3.68Å; I321-Y488 HydrophobicContact CG2-CE2 3.63Å; I321-Y488 HydrophobicContact CG2-CG 4.15Å; I321-Y488 VanDerWaalsContact CG2-CZ 3.47Å |
| 322 | Q | 97.3 | Very high | 96.9 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 59% | 0.593 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.7 | -33.2 | 178.9 | -74.3 | 175.3 | 1.5 | 0 | 0 | 111.9 | E318 E319 L324 | E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.36Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.43Å; E318-Q322 PolarHBondContact O-N 3.38Å; E318-Q322 PolarHBondContact OE1-NE2 2.89Å; E319-Q322 PolarHBondContact O-N 3.06Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.39Å |
| 323 | A | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E319 G320 I321 D325 E326 V327 V343 L347 | E319-A323 WeakPolarHBondContact O-CB 3.4Å; E319-A323 PolarHBondContact O-N 2.61Å; G320-A323 PolarHBondContact O-N 2.85Å; I321-A323 PolarHBondContact O-N 3.25Å; A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.29Å; A323-E326 PolarHBondContact O-N 3.08Å; A323-V327 HydrophobicContact CB-CG2 4.21Å; A323-V327 VanDerWaalsContact O-CB 3.31Å; A323-V327 WeakPolarHBondContact O-CB 3.38Å; A323-V327 WeakPolarHBondContact O-CG2 3.43Å; A323-V327 PolarHBondContact O-N 2.75Å; A323-V343 HydrophobicContact CB-CG1 4.47Å; A323-L347 HydrophobicContact CB-CD2 4.27Å |
| 324 | L | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.5 | -39 | -172.9 | -74.5 | 170.2 | 0 | 0 | 0 | 113.4 | I321 Q322 I328 V339 V343 L485 Y517 Y518 I521 | I321-L324 WeakPolarHBondContact O-CB 3.39Å; I321-L324 WeakPolarHBondContact O-CG 3.31Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.15Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.39Å; L324-I328 WeakPolarHBondContact O-CB 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 3.27Å; L324-V339 HydrophobicContact CD2-CG1 3.92Å; L324-V343 HydrophobicContact CD2-CG2 3.75Å; L324-L485 HydrophobicContact CD1-CD2 3.86Å; L324-L485 HydrophobicContact CD2-CD2 4.37Å; L324-Y517 HydrophobicContact CD1-CE1 4.04Å; L324-Y518 HydrophobicContact CD1-CE1 4.44Å; L324-Y518 HydrophobicContact CD2-CE1 3.96Å; L324-I521 HydrophobicContact CB-CD1 4.47Å |
| 325 | D | 98.6 | Very high | 97 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -51.5 | 179.9 | -172.7 | 69.1 | 0 | 0 | 0 | 112 | A323 V327 I328 F329 I521 R524 H525 | A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.29Å; D325-V327 VanDerWaalsContact C-N 3.31Å; D325-V327 PolarHBondContact O-N 3.41Å; D325-I328 PolarHBondContact O-N 2.92Å; D325-F329 WeakPolarHBondContact O-CB 3.47Å; D325-F329 PolarHBondContact O-N 3.2Å; D325-I521 WeakPolarHBondContact OD1-CG2 3.27Å; D325-R524 IonicContact OD1-CZ 2.99Å; D325-R524 IonicContact OD1-NE 3.76Å; D325-R524 IonicContact OD1-NH2 2.68Å; D325-R524 PolarHBondContact OD1-NH2 2.83Å; D325-H525 VanDerWaalsContact CG-NE2 3.3Å; D325-H525 IonicContact OD1-CD2 3.68Å; D325-H525 IonicContact OD1-CE1 2.73Å; D325-H525 IonicContact OD1-NE2 2.65Å; D325-H525 PolarHBondContact OD1-NE2 2.91Å; D325-H525 IonicContact OD2-CE1 2.82Å; D325-H525 IonicContact OD2-NE2 2.85Å; D325-H525 PolarHBondContact OD2-NE2 3.22Å |
| 326 | E | 98.5 | Very high | 97.1 | Very high | 101 Ų | 101 | 36 Ų | 36 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.8 | -33.8 | 179.1 | -66.4 | -175.1 | -125.6 | 0 | 0 | 112.1 | A323 S330 Y346 | A323-E326 PolarHBondContact O-N 3.08Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.14Å; E326-S330 PolarHBondContact O-OG 2.84Å; E326-Y346 PolarHBondContact OE2-OH 3.1Å |
| 327 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -51.4 | 175.8 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | A323 D325 F329 S330 L331 V343 Y346 | A323-V327 HydrophobicContact CB-CG2 4.21Å; A323-V327 VanDerWaalsContact O-CB 3.31Å; A323-V327 WeakPolarHBondContact O-CB 3.38Å; A323-V327 WeakPolarHBondContact O-CG2 3.43Å; A323-V327 PolarHBondContact O-N 2.75Å; D325-V327 VanDerWaalsContact C-N 3.31Å; D325-V327 PolarHBondContact O-N 3.41Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 3.4Å; V327-S330 PolarHBondContact O-N 3.44Å; V327-S330 VanDerWaalsContact O-N 3.1Å; V327-L331 HydrophobicContact CG1-CD1 3.6Å; V327-L331 HydrophobicContact CG1-CG 4.17Å; V327-L331 WeakPolarHBondContact O-CB 3.49Å; V327-L331 WeakPolarHBondContact O-CG 3.45Å; V327-L331 PolarHBondContact O-N 3.24Å; V327-V343 HydrophobicContact CG1-CG2 4.32Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V327-Y346 HydrophobicContact CG2-CD1 4.03Å; V327-Y346 HydrophobicContact CG2-CD2 4.08Å; V327-Y346 HydrophobicContact CG2-CG 3.69Å |
| 328 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 178.9 | -69.8 | 167.3 | 0 | 0 | 0 | 111 | L324 D325 S330 L331 E332 V339 Y518 I521 F522 | L324-I328 WeakPolarHBondContact O-CB 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.4Å; L324-I328 PolarHBondContact O-N 3.27Å; D325-I328 PolarHBondContact O-N 2.92Å; I328-S330 VanDerWaalsContact C-N 3.33Å; I328-S330 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 3.36Å; I328-E332 PolarHBondContact O-N 2.98Å; I328-V339 HydrophobicContact CD1-CG1 4.13Å; I328-V339 HydrophobicContact CD1-CG2 4.38Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.83Å; I328-Y518 HydrophobicContact CD1-CD1 3.93Å; I328-Y518 HydrophobicContact CD1-CG 4.21Å; I328-I521 HydrophobicContact CB-CG2 3.75Å; I328-I521 HydrophobicContact CD1-CB 3.81Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.41Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.36Å; I328-I521 HydrophobicContact CG2-CB 4.29Å; I328-I521 HydrophobicContact CG2-CG2 3.72Å; I328-F522 HydrophobicContact CG2-CB 3.99Å |
| 329 | F | 98.9 | Very high | 97.5 | Very high | 74 Ų | 74 | 25 Ų | 25 | 33% | 0.325 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -56.6 | -47.2 | 170.6 | 172.4 | -98.9 | 0 | 0 | 0 | 111.6 | K162 D325 V327 H525 Y526 | K162-F329 HydrophobicContact CD-CE1 3.94Å; K162-F329 HydrophobicContact CD-CE2 4.45Å; K162-F329 HydrophobicContact CD-CZ 3.72Å; K162-F329 VanDerWaalsContact CE-O 3.28Å; K162-F329 WeakPolarHBondContact CE-O 3.24Å; D325-F329 WeakPolarHBondContact O-CB 3.47Å; D325-F329 PolarHBondContact O-N 3.2Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 3.4Å; F329-H525 HydrophobicContact CD2-CB 4.32Å; F329-H525 AromaticContact CD2-CG 3.99Å; F329-H525 AromaticContact CD2-ND1 3.79Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.27Å; F329-Y526 PolarHBondContact O-OH 3.05Å |
| 330 | S | 98.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | K162 E326 V327 I328 | K162-S330 PolarHBondContact NZ-O 3.41Å; E326-S330 WeakPolarHBondContact O-CB 3.48Å; E326-S330 PolarHBondContact O-N 3.14Å; E326-S330 PolarHBondContact O-OG 2.84Å; V327-S330 PolarHBondContact O-N 3.44Å; V327-S330 VanDerWaalsContact O-N 3.1Å; I328-S330 VanDerWaalsContact C-N 3.33Å; I328-S330 PolarHBondContact O-N 2.89Å |
| 331 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | -176.7 | -69.4 | 169.8 | 0 | 0 | 0 | 113.6 | V327 I328 T333 T338 V339 S342 L403 R404 R407 T408 | V327-L331 HydrophobicContact CG1-CD1 3.6Å; V327-L331 HydrophobicContact CG1-CG 4.17Å; V327-L331 WeakPolarHBondContact O-CB 3.49Å; V327-L331 WeakPolarHBondContact O-CG 3.45Å; V327-L331 PolarHBondContact O-N 3.24Å; I328-L331 PolarHBondContact O-N 3.36Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4.05Å; L331-T333 PolarHBondContact O-N 3.25Å; L331-T338 HydrophobicContact CD1-CG2 4.35Å; L331-T338 HydrophobicContact CD2-CG2 4.28Å; L331-V339 HydrophobicContact CD1-CG2 4.04Å; L331-S342 WeakPolarHBondContact CD1-OG 3.41Å; L331-S342 VanDerWaalsContact CD2-OG 3.25Å; L331-S342 WeakPolarHBondContact CD2-OG 3.49Å; L331-L403 HydrophobicContact CB-CD2 4Å; L331-L403 HydrophobicContact CD2-CD2 3.6Å; L331-L403 HydrophobicContact CG-CD2 4.4Å; L331-L403 WeakPolarHBondContact O-CD2 3.43Å; L331-R404 HydrophobicContact CD2-CB 4.43Å; L331-R407 HydrophobicContact CD2-CB 4.19Å; L331-T408 HydrophobicContact CD2-CG2 4.14Å |
| 332 | E | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 2% | 0.023 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 33.7 | -173.5 | -46.2 | 174.9 | 150.2 | 0 | 0 | 112.5 | E160 A161 K162 I328 R407 F522 Y526 W532 | E160-E332 WeakPolarHBondContact CB-OE1 3.39Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 2.64Å; A161-E332 PolarHBondContact N-OE2 3.03Å; K162-E332 VanDerWaalsContact CB-OE1 3.26Å; K162-E332 WeakPolarHBondContact CB-OE1 3.4Å; K162-E332 WeakPolarHBondContact CE-OE1 3.2Å; K162-E332 VanDerWaalsContact CG-OE1 3.31Å; K162-E332 WeakPolarHBondContact CG-OE1 3.28Å; K162-E332 PolarHBondContact N-OE1 3.1Å; K162-E332 VanDerWaalsContact NZ-CD 3.31Å; K162-E332 IonicContact NZ-OE1 2.79Å; K162-E332 PolarHBondContact NZ-OE1 3.49Å; I328-E332 PolarHBondContact O-N 2.98Å; E332-R407 IonicContact OE2-NE 2.79Å; E332-F522 WeakPolarHBondContact O-CE2 3.46Å; E332-Y526 HydrophobicContact CB-CE2 4.18Å; E332-Y526 HydrophobicContact CG-CE2 4Å; E332-W532 HydrophobicContact CB-CE3 4.11Å; E332-W532 HydrophobicContact CB-CZ3 3.99Å |
| 333 | T | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | trans | -146.6 | 165.2 | 174.7 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | L331 D335 T338 L403 | L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4.05Å; L331-T333 PolarHBondContact O-N 3.25Å; T333-D335 PolarHBondContact OG1-N 3.33Å; T333-T338 HydrophobicContact CG2-CG2 3.74Å; T333-L403 HydrophobicContact CG2-CD2 3.99Å | ||
| 334 | Y | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -122.6 | 13.2 | 178.1 | 54.7 | -86.1 | 0 | 0 | 0 | 112.5 | I336 N508 F522 A530 L533 Y536 | Y334-I336 PolarHBondContact O-N 2.92Å; Y334-N508 HydrophobicContact CE2-CB 4.02Å; Y334-N508 VanDerWaalsContact OH-CB 3.32Å; Y334-N508 WeakPolarHBondContact OH-CB 3.35Å; Y334-N508 PolarHBondContact OH-ND2 3.07Å; Y334-N508 VanDerWaalsContact OH-ND2 3.16Å; Y334-F522 HydrophobicContact CD1-CB 4.32Å; Y334-F522 AromaticContact CD1-CD1 3.62Å; Y334-F522 HydrophobicContact CD1-CD1 3.62Å; Y334-F522 AromaticContact CD1-CD2 3.97Å; Y334-F522 HydrophobicContact CD1-CD2 3.97Å; Y334-F522 AromaticContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE2 4.2Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.16Å; Y334-F522 HydrophobicContact CE1-CD1 4.23Å; Y334-F522 HydrophobicContact CE1-CE1 4.1Å; Y334-F522 HydrophobicContact CE1-CZ 4.38Å; Y334-F522 HydrophobicContact CG-CB 4.5Å; Y334-F522 HydrophobicContact CG-CD1 4.47Å; Y334-F522 HydrophobicContact CG-CG 4.32Å; Y334-A530 HydrophobicContact CE1-CB 3.87Å; Y334-A530 WeakPolarHBondContact CE1-O 3.4Å; Y334-A530 PolarHBondContact OH-O 3.25Å; Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 3.9Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.77Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; Y334-L533 PolarHBondContact OH-O 3.31Å; Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.71Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.42Å; Y334-Y536 HydrophobicContact CE2-CE1 4Å; Y334-Y536 HydrophobicContact CE2-CE2 4.24Å; Y334-Y536 AromaticContact CE2-CZ 3.62Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.46Å | ||
| 335 | D | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -63.8 | 131.2 | 175.7 | 176.5 | 67.8 | 0 | 0 | 0 | 111.8 | T333 T337 T338 V339 F400 L533 Y536 W537 | T333-D335 PolarHBondContact OG1-N 3.33Å; D335-T337 PolarHBondContact OD2-N 3.19Å; D335-T338 PolarHBondContact O-N 3.04Å; D335-T338 VanDerWaalsContact OD2-CB 3.26Å; D335-T338 WeakPolarHBondContact OD2-CB 3.22Å; D335-T338 PolarHBondContact OD2-N 3.11Å; D335-T338 PolarHBondContact OD2-OG1 2.73Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.28Å; D335-V339 WeakPolarHBondContact O-CG2 3.37Å; D335-V339 PolarHBondContact O-N 2.89Å; D335-F400 HydrophobicContact CB-CD1 4.46Å; D335-F400 HydrophobicContact CB-CE1 4.35Å; D335-L533 HydrophobicContact CB-CD1 4.47Å; D335-L533 HydrophobicContact CB-CD2 3.84Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.4Å; D335-W537 PolarHBondContact OD1-N 3Å | ||
| 336 | I | 95.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 12.8 Ų | 12.8 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.5 | -49.6 | -172.2 | -64.3 | 171.8 | 0 | 0 | 0 | 111.3 | Y334 T338 V339 R340 Y518 P547 | Y334-I336 PolarHBondContact O-N 2.92Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 2.77Å; I336-V339 PolarHBondContact O-N 2.88Å; I336-R340 HydrophobicContact CG2-CG 4.42Å; I336-R340 WeakPolarHBondContact O-CB 3.45Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.41Å; I336-R340 PolarHBondContact O-N 3.45Å; I336-Y518 HydrophobicContact CG1-CD2 4.28Å; I336-Y518 HydrophobicContact CG2-CE2 4.37Å; I336-P547 HydrophobicContact CB-CG 4.02Å; I336-P547 HydrophobicContact CG2-CG 4.04Å |
| 337 | T | 92.1 | Very high | 97.5 | Very high | 29 Ų | 29 | 8.4 Ų | 8.4 | 18% | 0.178 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | -179.3 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | D335 A341 W537 P547 | D335-T337 PolarHBondContact OD2-N 3.19Å; T337-A341 WeakPolarHBondContact O-CB 3.43Å; T337-A341 PolarHBondContact O-N 3.15Å; T337-A341 VanDerWaalsContact O-N 3.16Å; T337-W537 HydrophobicContact CG2-CD2 4.46Å; T337-W537 HydrophobicContact CG2-CE3 4.26Å; T337-P547 WeakPolarHBondContact OG1-CB 3.35Å; T337-P547 WeakPolarHBondContact OG1-CG 3.45Å |
| 338 | T | 96.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.018 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.4 | -50.9 | -179.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | L331 T333 D335 I336 A341 S342 L403 R404 | L331-T338 HydrophobicContact CD1-CG2 4.35Å; L331-T338 HydrophobicContact CD2-CG2 4.28Å; T333-T338 HydrophobicContact CG2-CG2 3.74Å; D335-T338 PolarHBondContact O-N 3.04Å; D335-T338 VanDerWaalsContact OD2-CB 3.26Å; D335-T338 WeakPolarHBondContact OD2-CB 3.22Å; D335-T338 PolarHBondContact OD2-N 3.11Å; D335-T338 PolarHBondContact OD2-OG1 2.73Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 2.77Å; T338-A341 PolarHBondContact O-N 3.39Å; T338-S342 WeakPolarHBondContact O-CB 3.45Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 3.11Å; T338-L403 HydrophobicContact CG2-CD2 4.04Å; T338-R404 HydrophobicContact CG2-CB 4.21Å |
| 339 | V | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | -179.9 | 173 | 0 | 0 | 0 | 0 | 111.4 | L324 I328 L331 D335 I336 A341 S342 V343 Y518 | L324-V339 HydrophobicContact CD2-CG1 3.92Å; I328-V339 HydrophobicContact CD1-CG1 4.13Å; I328-V339 HydrophobicContact CD1-CG2 4.38Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.83Å; L331-V339 HydrophobicContact CD1-CG2 4.04Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.28Å; D335-V339 WeakPolarHBondContact O-CG2 3.37Å; D335-V339 PolarHBondContact O-N 2.89Å; I336-V339 PolarHBondContact O-N 2.88Å; V339-A341 PolarHBondContact O-N 3.31Å; V339-S342 PolarHBondContact O-N 3.14Å; V339-S342 VanDerWaalsContact O-N 3.15Å; V339-V343 PolarHBondContact O-N 2.96Å; V339-Y518 HydrophobicContact CB-CD2 3.81Å; V339-Y518 HydrophobicContact CB-CE2 3.68Å; V339-Y518 HydrophobicContact CB-CG 4.37Å; V339-Y518 HydrophobicContact CG1-CD1 4.02Å; V339-Y518 HydrophobicContact CG1-CD2 3.88Å; V339-Y518 HydrophobicContact CG1-CE1 3.79Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.07Å; V339-Y518 HydrophobicContact CG2-CD2 4.11Å; V339-Y518 HydrophobicContact CG2-CE2 4.49Å; V339-Y518 HydrophobicContact CG2-CG 4.41Å |
| 340 | R | 94.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 2% | 0.019 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 179.5 | -75.9 | 175.7 | -179.6 | 160.7 | 4.6 | 112.2 | I336 S342 W481 L485 E514 D546 | I336-R340 HydrophobicContact CG2-CG 4.42Å; I336-R340 WeakPolarHBondContact O-CB 3.45Å; I336-R340 VanDerWaalsContact O-CG 3.29Å; I336-R340 WeakPolarHBondContact O-CG 3.41Å; I336-R340 PolarHBondContact O-N 3.45Å; R340-S342 VanDerWaalsContact C-N 3.34Å; R340-W481 PolarHBondContact O-NE1 2.67Å; R340-L485 HydrophobicContact CG-CD1 3.95Å; R340-E514 WeakPolarHBondContact CG-OE1 3.29Å; R340-E514 IonicContact CZ-OE1 3.6Å; R340-E514 IonicContact CZ-OE2 3.54Å; R340-E514 IonicContact NE-OE1 2.78Å; R340-E514 PolarHBondContact NE-OE1 3.19Å; R340-E514 IonicContact NE-OE2 3.37Å; R340-E514 PolarHBondContact NE-OE2 3.26Å; R340-E514 IonicContact NH2-OE1 3.82Å; R340-E514 PolarHBondContact NH2-OE1 3.45Å; R340-E514 IonicContact NH2-OE2 3.55Å; R340-E514 PolarHBondContact NH2-OE2 3.2Å; R340-D546 IonicContact CZ-OD1 3.33Å; R340-D546 IonicContact CZ-OD2 2.81Å; R340-D546 IonicContact NH1-OD1 2.67Å; R340-D546 PolarHBondContact NH1-OD1 3.17Å; R340-D546 IonicContact NH1-OD2 2.73Å; R340-D546 IonicContact NH2-OD1 3.54Å; R340-D546 PolarHBondContact NH2-OD1 2.96Å; R340-D546 IonicContact NH2-OD2 3.51Å; R340-D546 PolarHBondContact NH2-OD2 3.38Å |
| 341 | A | 93.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 6% | 0.058 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.9 | -28 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T337 T338 V339 V343 F470 | T337-A341 WeakPolarHBondContact O-CB 3.43Å; T337-A341 PolarHBondContact O-N 3.15Å; T337-A341 VanDerWaalsContact O-N 3.16Å; T338-A341 PolarHBondContact O-N 3.39Å; V339-A341 PolarHBondContact O-N 3.31Å; A341-V343 PolarHBondContact O-N 2.88Å; A341-F470 HydrophobicContact CB-CD1 4.01Å; A341-F470 WeakPolarHBondContact O-CD1 3.25Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å |
| 342 | S | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.5 | -26.1 | -176.3 | -63.9 | 0 | 0 | 0 | 0 | 114 | L331 T338 V339 R340 M345 Y346 R404 | L331-S342 WeakPolarHBondContact CD1-OG 3.41Å; L331-S342 VanDerWaalsContact CD2-OG 3.25Å; L331-S342 WeakPolarHBondContact CD2-OG 3.49Å; T338-S342 WeakPolarHBondContact O-CB 3.45Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 3.11Å; V339-S342 PolarHBondContact O-N 3.14Å; V339-S342 VanDerWaalsContact O-N 3.15Å; R340-S342 VanDerWaalsContact C-N 3.34Å; S342-M345 PolarHBondContact O-N 2.86Å; S342-Y346 WeakPolarHBondContact O-CB 3.39Å; S342-Y346 PolarHBondContact O-N 3.05Å; S342-R404 WeakPolarHBondContact OG-CD 3.22Å; S342-R404 WeakPolarHBondContact OG-CG 3.17Å |
| 343 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.2 | -51.3 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | A323 L324 V327 V339 A341 M345 Y346 L347 W481 | A323-V343 HydrophobicContact CB-CG1 4.47Å; L324-V343 HydrophobicContact CD2-CG2 3.75Å; V327-V343 HydrophobicContact CG1-CG2 4.32Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V339-V343 PolarHBondContact O-N 2.96Å; A341-V343 PolarHBondContact O-N 2.88Å; V343-M345 PolarHBondContact O-N 3.12Å; V343-Y346 PolarHBondContact O-N 2.73Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.47Å; V343-W481 HydrophobicContact CB-CZ2 4.17Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.98Å; V343-W481 HydrophobicContact CG2-CZ2 4.05Å |
| 344 | G | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I288 Y346 L347 I348 | I288-G344 WeakPolarHBondContact CD1-O 3.44Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.2Å; G344-L347 PolarHBondContact O-N 3.43Å; G344-I348 WeakPolarHBondContact O-CG2 3.48Å; G344-I348 PolarHBondContact O-N 2.92Å |
| 345 | M | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.4 | -32.5 | -178.2 | -159.9 | 173.3 | -171.8 | 0 | 0 | 113.3 | L256 S342 V343 I348 S349 R404 A405 T408 T409 L416 | L256-M345 HydrophobicContact CD1-CE 3.61Å; L256-M345 HydrophobicContact CD1-CG 4.47Å; S342-M345 PolarHBondContact O-N 2.86Å; V343-M345 PolarHBondContact O-N 3.12Å; M345-I348 VanDerWaalsContact O-CG2 3.28Å; M345-I348 WeakPolarHBondContact O-CG2 3.29Å; M345-S349 VanDerWaalsContact O-CB 3.28Å; M345-S349 WeakPolarHBondContact O-CB 3.36Å; M345-S349 PolarHBondContact O-N 3.46Å; M345-S349 VanDerWaalsContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 3.17Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.68Å; M345-A405 HydrophobicContact CE-CB 3.67Å; M345-A405 HydrophobicContact SD-CB 4.18Å; M345-T408 HydrophobicContact CB-CG2 4.4Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.37Å; M345-T408 PolarHBondContact SD-OG1 3.37Å; M345-T408 VanDerWaalsContact SD-OG1 3.4Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; M345-L416 HydrophobicContact CE-CD1 4.37Å |
| 346 | Y | 98.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -50.1 | 173.6 | -175.7 | -85.9 | 0 | 0 | 0 | 110.9 | E326 V327 S342 V343 G344 I348 S349 K350 A411 H412 | E326-Y346 PolarHBondContact OE2-OH 3.1Å; V327-Y346 HydrophobicContact CG2-CD1 4.03Å; V327-Y346 HydrophobicContact CG2-CD2 4.08Å; V327-Y346 HydrophobicContact CG2-CG 3.69Å; S342-Y346 WeakPolarHBondContact O-CB 3.39Å; S342-Y346 PolarHBondContact O-N 3.05Å; V343-Y346 PolarHBondContact O-N 2.73Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.2Å; Y346-I348 PolarHBondContact O-N 2.86Å; Y346-S349 WeakPolarHBondContact O-CB 3.22Å; Y346-S349 PolarHBondContact O-N 2.89Å; Y346-K350 PolarHBondContact O-N 2.93Å; Y346-A411 HydrophobicContact CD2-CB 4.02Å; Y346-A411 HydrophobicContact CE2-CB 3.56Å; Y346-H412 AromaticContact CD1-NE2 3.63Å; Y346-H412 AromaticContact CD2-NE2 3.68Å; Y346-H412 AromaticContact CE1-CE1 3.7Å; Y346-H412 AromaticContact CE1-NE2 3.34Å; Y346-H412 VanDerWaalsContact CE1-NE2 3.34Å; Y346-H412 WeakPolarHBondContact CE1-NE2 3.37Å; Y346-H412 AromaticContact CE2-CE1 4Å; Y346-H412 AromaticContact CE2-NE2 3.42Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.22Å; Y346-H412 AromaticContact CG-NE2 3.76Å; Y346-H412 AromaticContact CZ-CE1 3.45Å; Y346-H412 VanDerWaalsContact CZ-CE1 3.45Å; Y346-H412 AromaticContact CZ-NE2 3.2Å; Y346-H412 PolarHBondContact O-CD2 3.15Å; Y346-H412 PolarHBondContact O-NE2 3.46Å; Y346-H412 PolarHBondContact OH-CE1 3.41Å |
| 347 | L | 98.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | -179.2 | -67.4 | 175.3 | 0 | 0 | 0 | 112.5 | I288 F315 E319 A323 V343 G344 S349 K350 Y351 | I288-L347 HydrophobicContact CD1-CB 3.69Å; F315-L347 HydrophobicContact CB-CD1 3.87Å; F315-L347 HydrophobicContact CD2-CD1 4.05Å; F315-L347 HydrophobicContact CG-CD1 4.14Å; E319-L347 HydrophobicContact CG-CD1 4Å; E319-L347 HydrophobicContact CG-CD2 3.99Å; A323-L347 HydrophobicContact CB-CD2 4.27Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.47Å; G344-L347 PolarHBondContact O-N 3.43Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-K350 WeakPolarHBondContact O-CB 3.24Å; L347-K350 PolarHBondContact O-N 3.44Å; L347-Y351 PolarHBondContact O-N 3.3Å |
| 348 | I | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 175.4 | -166 | 53.9 | 0 | 0 | 0 | 111.7 | L256 F286 I288 V313 G344 M345 Y346 Y351 I352 | L256-I348 HydrophobicContact CD2-CG1 4.31Å; L256-I348 HydrophobicContact CD2-CG2 4.22Å; F286-I348 HydrophobicContact CB-CD1 3.96Å; F286-I348 HydrophobicContact CB-CG1 3.95Å; I288-I348 HydrophobicContact CB-CB 3.97Å; I288-I348 HydrophobicContact CB-CD1 4.14Å; I288-I348 HydrophobicContact CB-CG1 4.22Å; I288-I348 HydrophobicContact CD1-CB 3.98Å; I288-I348 HydrophobicContact CG2-CB 3.96Å; I288-I348 HydrophobicContact CG2-CG1 4.44Å; I288-I348 HydrophobicContact CG2-CG2 4.27Å; V313-I348 HydrophobicContact CB-CD1 3.63Å; V313-I348 HydrophobicContact CG1-CD1 4.29Å; V313-I348 HydrophobicContact CG2-CD1 3.22Å; G344-I348 WeakPolarHBondContact O-CG2 3.48Å; G344-I348 PolarHBondContact O-N 2.92Å; M345-I348 VanDerWaalsContact O-CG2 3.28Å; M345-I348 WeakPolarHBondContact O-CG2 3.29Å; Y346-I348 PolarHBondContact O-N 2.86Å; I348-Y351 WeakPolarHBondContact O-CB 3.37Å; I348-Y351 PolarHBondContact O-N 3.36Å; I348-I352 HydrophobicContact CG1-CD1 4.2Å; I348-I352 VanDerWaalsContact O-CG1 3.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.1Å; I348-I352 PolarHBondContact O-N 2.98Å |
| 349 | S | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 175.3 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | M345 Y346 L347 Y351 I352 R353 T408 L414 | M345-S349 VanDerWaalsContact O-CB 3.28Å; M345-S349 WeakPolarHBondContact O-CB 3.36Å; M345-S349 PolarHBondContact O-N 3.46Å; M345-S349 VanDerWaalsContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 3.17Å; Y346-S349 WeakPolarHBondContact O-CB 3.22Å; Y346-S349 PolarHBondContact O-N 2.89Å; L347-S349 VanDerWaalsContact C-N 3.34Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; S349-Y351 PolarHBondContact O-N 2.76Å; S349-I352 PolarHBondContact O-N 3.21Å; S349-R353 PolarHBondContact O-N 3.06Å; S349-R353 VanDerWaalsContact O-N 3.08Å; S349-T408 WeakPolarHBondContact CB-O 3.27Å; S349-T408 PolarHBondContact OG-O 3.35Å; S349-L414 WeakPolarHBondContact O-CD1 3.34Å |
| 350 | K | 98.8 | Very high | 98.1 | Very high | 97 Ų | 97 | 33.9 Ų | 33.9 | 42% | 0.422 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.7 | -43.8 | 172.1 | -172.3 | 177.4 | 179.6 | 175.5 | 0 | 111.5 | Y346 L347 K354 H412 | Y346-K350 PolarHBondContact O-N 2.93Å; L347-K350 WeakPolarHBondContact O-CB 3.24Å; L347-K350 PolarHBondContact O-N 3.44Å; K350-K354 VanDerWaalsContact O-CB 3.26Å; K350-K354 WeakPolarHBondContact O-CB 3.46Å; K350-K354 PolarHBondContact O-N 2.82Å; K350-K354 VanDerWaalsContact O-N 3.11Å; K350-H412 PolarHBondContact N-CD2 3.35Å; K350-H412 VanDerWaalsContact N-CD2 3.3Å |
| 351 | Y | 98.8 | Very high | 98.3 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.5 | -179.1 | -81.3 | 0 | 0 | 0 | 111.9 | Y311 V313 L347 I348 S349 R353 K354 N355 | Y311-Y351 HydrophobicContact CD1-CE1 4.01Å; Y311-Y351 WeakPolarHBondContact CD1-OH 3.38Å; Y311-Y351 HydrophobicContact CG-CE1 4.37Å; V313-Y351 HydrophobicContact CB-CD2 4.48Å; V313-Y351 HydrophobicContact CG1-CD2 3.94Å; V313-Y351 HydrophobicContact CG1-CG 4.2Å; V313-Y351 HydrophobicContact CG2-CD1 3.58Å; V313-Y351 HydrophobicContact CG2-CD2 3.68Å; V313-Y351 HydrophobicContact CG2-CE1 3.83Å; V313-Y351 HydrophobicContact CG2-CE2 3.91Å; V313-Y351 HydrophobicContact CG2-CG 3.52Å; L347-Y351 PolarHBondContact O-N 3.3Å; I348-Y351 WeakPolarHBondContact O-CB 3.37Å; I348-Y351 PolarHBondContact O-N 3.36Å; S349-Y351 VanDerWaalsContact C-N 3.32Å; S349-Y351 PolarHBondContact O-N 2.76Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.19Å; Y351-K354 PolarHBondContact O-N 3.19Å; Y351-K354 VanDerWaalsContact O-N 3.16Å; Y351-N355 HydrophobicContact CD1-CB 4.38Å; Y351-N355 WeakPolarHBondContact CD2-ND2 3.26Å; Y351-N355 HydrophobicContact CE1-CB 4.02Å; Y351-N355 WeakPolarHBondContact CE2-ND2 3.38Å; Y351-N355 WeakPolarHBondContact O-CB 3.49Å; Y351-N355 PolarHBondContact O-N 2.9Å; Y351-N355 PolarHBondContact O-ND2 2.57Å |
| 352 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.6 | -49.8 | -178.3 | -70.6 | 162.8 | 0 | 0 | 0 | 110.2 | L256 F286 I348 S349 K354 T356 N358 I361 L414 | L256-I352 HydrophobicContact CD2-CD1 3.87Å; F286-I352 HydrophobicContact CB-CD1 4.04Å; F286-I352 HydrophobicContact CB-CG1 4.28Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.57Å; F286-I352 HydrophobicContact CD2-CD1 3.76Å; F286-I352 HydrophobicContact CD2-CG1 3.83Å; F286-I352 HydrophobicContact CE1-CG1 3.81Å; F286-I352 HydrophobicContact CE2-CD1 4.31Å; F286-I352 HydrophobicContact CE2-CG1 4.04Å; F286-I352 HydrophobicContact CE2-CG2 4.48Å; F286-I352 HydrophobicContact CG-CD1 3.73Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 4.04Å; F286-I352 HydrophobicContact CZ-CG2 4.44Å; I348-I352 HydrophobicContact CG1-CD1 4.2Å; I348-I352 VanDerWaalsContact O-CG1 3.24Å; I348-I352 WeakPolarHBondContact O-CG1 3.1Å; I348-I352 PolarHBondContact O-N 2.98Å; S349-I352 PolarHBondContact O-N 3.21Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.8Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.43Å; I352-N358 HydrophobicContact CG2-CB 4.1Å; I352-I361 HydrophobicContact CD1-CD1 4.29Å; I352-I361 HydrophobicContact CG2-CD1 3.86Å; I352-L414 HydrophobicContact CB-CD1 3.82Å; I352-L414 HydrophobicContact CD1-CD1 4.36Å; I352-L414 HydrophobicContact CG2-CD1 3.71Å; I352-L414 HydrophobicContact CG2-CD2 3.99Å |
| 353 | R | 98.5 | Very high | 98.6 | Very high | 114 Ų | 114 | 33.7 Ų | 33.7 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 179.4 | 174 | 59 | -175.5 | -78.9 | 2.9 | 112.9 | S349 Y351 H412 L414 | S349-R353 PolarHBondContact O-N 3.06Å; S349-R353 VanDerWaalsContact O-N 3.08Å; Y351-R353 VanDerWaalsContact C-N 3.34Å; Y351-R353 PolarHBondContact O-N 3.19Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.36Å; R353-H412 WeakPolarHBondContact CD-O 3.35Å; R353-H412 HydrophobicContact CG-CB 4.47Å; R353-H412 VanDerWaalsContact CG-O 3.23Å; R353-H412 WeakPolarHBondContact CG-O 3.42Å; R353-H412 PolarHBondContact NH1-O 3.16Å; R353-L414 HydrophobicContact CB-CD2 4.34Å |
| 354 | K | 98.6 | Very high | 98.6 | Very high | 172 Ų | 172 | 34.2 Ų | 34.2 | 75% | 0.748 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -76.9 | -35.7 | -176.1 | -177.9 | 176.4 | 177.8 | -177.2 | 0 | 112.5 | K350 Y351 I352 | K350-K354 VanDerWaalsContact O-CB 3.26Å; K350-K354 WeakPolarHBondContact O-CB 3.46Å; K350-K354 PolarHBondContact O-N 2.82Å; K350-K354 VanDerWaalsContact O-N 3.11Å; Y351-K354 PolarHBondContact O-N 3.19Å; Y351-K354 VanDerWaalsContact O-N 3.16Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 2.8Å |
| 355 | N | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -114 | -9 | -165.3 | -57.9 | -70.9 | 0 | 0 | 0 | 114.1 | Y351 | Y351-N355 HydrophobicContact CD1-CB 4.38Å; Y351-N355 WeakPolarHBondContact CD2-ND2 3.26Å; Y351-N355 HydrophobicContact CE1-CB 4.02Å; Y351-N355 WeakPolarHBondContact CE2-ND2 3.38Å; Y351-N355 WeakPolarHBondContact O-CB 3.49Å; Y351-N355 PolarHBondContact O-N 2.9Å; Y351-N355 PolarHBondContact O-ND2 2.57Å |
| 356 | T | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | trans | -137.1 | 169.8 | -178.6 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | F286 I352 N358 | F286-T356 HydrophobicContact CE1-CG2 3.79Å; F286-T356 HydrophobicContact CZ-CG2 3.83Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.43Å; T356-N358 WeakPolarHBondContact CB-ND2 3.19Å; T356-N358 PolarHBondContact OG1-N 3.46Å; T356-N358 PolarHBondContact OG1-ND2 3.01Å | ||
| 357 | D | 98.1 | Very high | 98.6 | Very high | 95 Ų | 95 | 34.4 Ų | 34.4 | 51% | 0.508 | 16% | 0.162 | S | C | . | . | trans | -98.9 | 8.6 | 172 | 65.7 | -33.3 | 0 | 0 | 0 | 112.9 | R252 V359 | R252-D357 VanDerWaalsContact CD-CG 3.46Å; R252-D357 WeakPolarHBondContact CD-OD1 3.13Å; R252-D357 WeakPolarHBondContact CD-OD2 2.99Å; R252-D357 IonicContact CZ-OD1 3.41Å; R252-D357 IonicContact NE-OD1 3.67Å; R252-D357 IonicContact NH1-OD1 2.71Å; R252-D357 PolarHBondContact NH1-OD1 2.72Å; R252-D357 IonicContact NH1-OD2 3.86Å; D357-V359 PolarHBondContact O-N 3.42Å | ||
| 358 | N | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134 | 171.9 | -60.3 | -82.6 | 0 | 0 | 0 | 110 | I253 G254 Q284 F286 I352 T356 I361 L414 | I253-N358 PolarHBondContact O-OD1 2.71Å; G254-N358 WeakPolarHBondContact CA-OD1 3.44Å; G254-N358 PolarHBondContact N-OD1 2.61Å; Q284-N358 PolarHBondContact OE1-ND2 3.03Å; F286-N358 VanDerWaalsContact CZ-ND2 3.35Å; F286-N358 WeakPolarHBondContact CZ-ND2 3.07Å; I352-N358 HydrophobicContact CG2-CB 4.1Å; T356-N358 WeakPolarHBondContact CB-ND2 3.19Å; T356-N358 PolarHBondContact OG1-N 3.46Å; T356-N358 PolarHBondContact OG1-ND2 3.01Å; N358-I361 HydrophobicContact CB-CD1 3.7Å; N358-L414 WeakPolarHBondContact O-CD2 3.4Å |
| 359 | V | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -40.5 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L50 V52 R251 R252 D357 E415 | L50-V359 HydrophobicContact CD1-CG1 3.72Å; L50-V359 HydrophobicContact CD2-CG1 3.6Å; L50-V359 HydrophobicContact CG-CG1 3.86Å; V52-V359 HydrophobicContact CG2-CG1 4.46Å; R251-V359 HydrophobicContact CB-CB 4.04Å; R251-V359 HydrophobicContact CB-CG1 4.47Å; R252-V359 PolarHBondContact O-N 3.19Å; D357-V359 PolarHBondContact O-N 3.42Å; V359-E415 PolarHBondContact O-N 3.4Å |
| 360 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.6 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | V52 T249 R252 I253 G254 F362 R417 | V52-V360 HydrophobicContact CG1-CG2 3.67Å; T249-V360 HydrophobicContact CG2-CG2 4.13Å; T249-V360 WeakPolarHBondContact OG1-CG2 3.14Å; R252-V360 PolarHBondContact O-N 3.01Å; R252-V360 VanDerWaalsContact O-N 3.16Å; I253-V360 CarbonylContact C-O 3.59Å; I253-V360 VanDerWaalsContact CA-O 3.31Å; I253-V360 WeakPolarHBondContact CA-O 3.45Å; I253-V360 HydrophobicContact CG1-CB 4.1Å; I253-V360 HydrophobicContact CG1-CG1 4.17Å; G254-V360 PolarHBondContact N-O 2.98Å; V360-F362 HydrophobicContact CG1-CD2 4.27Å; V360-F362 HydrophobicContact CG1-CE2 3.99Å; V360-R417 VanDerWaalsContact CG1-CD 3.44Å; V360-R417 HydrophobicContact CG1-CG 3.91Å |
| 361 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.7 | -175.4 | -53.2 | -58.5 | 0 | 0 | 0 | 109.8 | G254 L256 I352 N358 L414 E415 L416 R417 | G254-I361 WeakPolarHBondContact O-CA 3.14Å; L256-I361 HydrophobicContact CD1-CG2 4.38Å; L256-I361 HydrophobicContact CD2-CG2 3.86Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; I352-I361 HydrophobicContact CD1-CD1 4.29Å; I352-I361 HydrophobicContact CG2-CD1 3.86Å; N358-I361 HydrophobicContact CB-CD1 3.7Å; I361-L414 HydrophobicContact CG1-CB 4.22Å; I361-L414 HydrophobicContact CG1-CD1 4.18Å; I361-E415 PolarHBondContact N-O 2.8Å; I361-L416 WeakPolarHBondContact O-CA 3.49Å; I361-R417 PolarHBondContact O-N 3.01Å |
| 362 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 146.3 | 173.2 | -80.9 | -114.9 | 0 | 0 | 0 | 111.2 | V243 R246 L247 I253 G254 C255 L256 V266 L270 V360 R417 P419 | V243-F362 HydrophobicContact CG1-CE1 4.19Å; R246-F362 HydrophobicContact CB-CE1 3.7Å; R246-F362 HydrophobicContact CB-CZ 3.55Å; R246-F362 WeakPolarHBondContact O-CZ 3.49Å; L247-F362 HydrophobicContact CD2-CZ 4.36Å; I253-F362 HydrophobicContact CD1-CE2 4.42Å; I253-F362 HydrophobicContact CG2-CD2 3.49Å; I253-F362 VanDerWaalsContact CG2-CD2 3.49Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å; G254-F362 PolarHBondContact O-N 3.44Å; C255-F362 HydrophobicContact CB-CB 4.25Å; L256-F362 PolarHBondContact N-O 2.66Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.11Å; V266-F362 HydrophobicContact CG1-CG 4.48Å; L270-F362 HydrophobicContact CD1-CD1 4.31Å; L270-F362 HydrophobicContact CD1-CD2 4.25Å; L270-F362 HydrophobicContact CD1-CE1 4.02Å; L270-F362 HydrophobicContact CD1-CE2 3.98Å; L270-F362 HydrophobicContact CD1-CG 4.39Å; L270-F362 HydrophobicContact CD1-CZ 3.82Å; L270-F362 HydrophobicContact CD2-CB 3.92Å; L270-F362 HydrophobicContact CD2-CD1 4.27Å; L270-F362 HydrophobicContact CD2-CD2 3.89Å; L270-F362 HydrophobicContact CD2-CE2 4.44Å; L270-F362 HydrophobicContact CD2-CG 3.78Å; V360-F362 HydrophobicContact CG1-CD2 4.27Å; V360-F362 HydrophobicContact CG1-CE2 3.99Å; F362-R417 WeakPolarHBondContact CA-O 3.34Å; F362-R417 HydrophobicContact CD1-CB 4.41Å; F362-R417 HydrophobicContact CD2-CB 4.26Å; F362-R417 HydrophobicContact CE1-CB 4.46Å; F362-R417 HydrophobicContact CE2-CB 4.3Å; F362-R417 HydrophobicContact CG-CB 4.34Å; F362-R417 HydrophobicContact CZ-CB 4.43Å; F362-P419 HydrophobicContact CD1-CG 4.48Å |
| 363 | S | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | trans | -149.7 | 168.1 | 177 | -162.4 | 0 | 0 | 0 | 0 | 112.5 | E365 R417 P419 | S363-E365 WeakPolarHBondContact CB-OE2 3.36Å; S363-E365 PolarHBondContact OG-OE2 3.06Å; S363-R417 PolarHBondContact N-O 3.38Å; S363-P419 WeakPolarHBondContact O-CD 3.34Å | ||
| 364 | G | 98.3 | Very high | 98.2 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 11% | 0.113 | 12% | 0.115 | C | C | . | . | trans | -96.2 | 2.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S367 | G364-S367 PolarHBondContact O-N 3.12Š| ||
| 365 | E | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 15.9 Ų | 15.9 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 147.4 | -179.4 | -78.1 | 76.8 | -172.4 | 0 | 0 | 112.9 | S363 S367 D401 R404 A405 V418 | S363-E365 WeakPolarHBondContact CB-OE2 3.36Å; S363-E365 PolarHBondContact OG-OE2 3.06Å; E365-S367 VanDerWaalsContact C-N 3.32Å; E365-D401 HydrophobicContact CG-CB 4.33Å; E365-R404 IonicContact OE1-CZ 3.29Å; E365-R404 IonicContact OE1-NH1 3.66Å; E365-R404 PolarHBondContact OE1-NH1 3.05Å; E365-R404 IonicContact OE1-NH2 3.54Å; E365-R404 PolarHBondContact OE1-NH2 3.16Å; E365-A405 HydrophobicContact CG-CB 4.1Å; E365-V418 HydrophobicContact CB-CG1 3.99Å |
| 366 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -17.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E369 L370 | G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 2.98Å; G366-L370 WeakPolarHBondContact O-CB 3.14Å; G366-L370 PolarHBondContact O-N 2.85Å; G366-L370 VanDerWaalsContact O-N 3.09Å |
| 367 | S | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.007 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65 | -48.6 | 179.2 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | D262 G364 E365 E369 L370 T371 F420 | D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 2.86Å; G364-S367 PolarHBondContact O-N 3.12Å; E365-S367 VanDerWaalsContact C-N 3.32Å; S367-E369 VanDerWaalsContact C-N 3.35Å; S367-E369 PolarHBondContact O-N 2.79Å; S367-L370 PolarHBondContact O-N 3.1Å; S367-T371 VanDerWaalsContact O-CB 3.3Å; S367-T371 WeakPolarHBondContact O-CB 3.47Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.87Å; S367-F420 VanDerWaalsContact OG-CE1 3.23Å; S367-F420 WeakPolarHBondContact OG-CE1 3.43Å; S367-F420 WeakPolarHBondContact OG-CZ 3.36Å |
| 368 | D | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 10.1 Ų | 10.1 | 9% | 0.091 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | -176.8 | -77.3 | -58.3 | 0 | 0 | 0 | 112.1 | Q372 G373 Y374 K445 K467 | D368-Q372 PolarHBondContact O-N 3.29Å; D368-G373 PolarHBondContact O-N 2.93Å; D368-G373 WeakPolarHBondContact OD1-CA 3.33Å; D368-Y374 HydrophobicContact CB-CD1 4.18Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.82Å; D368-Y374 HydrophobicContact CB-CE2 3.76Å; D368-Y374 HydrophobicContact CB-CG 4.33Å; D368-K445 VanDerWaalsContact CG-NZ 3.31Å; D368-K445 WeakPolarHBondContact OD1-CE 3.39Å; D368-K445 IonicContact OD1-NZ 3.19Å; D368-K445 PolarHBondContact OD1-NZ 3.06Å; D368-K445 IonicContact OD2-NZ 3.91Å; D368-K467 WeakPolarHBondContact OD1-CE 3.3Å; D368-K467 WeakPolarHBondContact OD2-CE 3.3Å; D368-K467 IonicContact OD2-NZ 2.66Å |
| 369 | E | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.019 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 178.9 | -63.8 | 76.1 | -163.5 | 0 | 0 | 111.3 | G366 S367 Y374 S390 L393 L394 L397 | G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 2.98Å; S367-E369 VanDerWaalsContact C-N 3.35Å; S367-E369 PolarHBondContact O-N 2.79Å; E369-Y374 HydrophobicContact CG-CE2 4.17Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.33Å; E369-Y374 PolarHBondContact OE1-OH 3.31Å; E369-S390 WeakPolarHBondContact O-CB 3.44Å; E369-S390 PolarHBondContact O-OG 2.87Å; E369-L393 HydrophobicContact CB-CB 3.88Å; E369-L393 HydrophobicContact CB-CD1 4.43Å; E369-L393 HydrophobicContact CG-CB 3.63Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; E369-L394 HydrophobicContact CB-CD2 3.85Å; E369-L394 HydrophobicContact CB-CG 4.16Å; E369-L397 VanDerWaalsContact CD-CD2 3.49Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.13Å |
| 370 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.3 | -38.1 | -179.4 | -178.3 | 63.8 | 0 | 0 | 0 | 112.7 | G366 S367 L394 F425 Y429 L430 | G366-L370 WeakPolarHBondContact O-CB 3.14Å; G366-L370 PolarHBondContact O-N 2.85Å; G366-L370 VanDerWaalsContact O-N 3.09Å; S367-L370 PolarHBondContact O-N 3.1Å; L370-L394 HydrophobicContact CB-CD2 4.45Å; L370-L394 HydrophobicContact CD1-CD1 4.21Å; L370-F425 HydrophobicContact CD2-CD1 3.88Å; L370-F425 HydrophobicContact CD2-CE1 3.53Å; L370-Y429 HydrophobicContact CD1-CD1 4.2Å; L370-Y429 HydrophobicContact CD1-CG 4.44Å; L370-Y429 HydrophobicContact CD2-CG 4.35Å; L370-Y429 HydrophobicContact CG-CD1 3.94Å; L370-Y429 HydrophobicContact CG-CG 4.12Å; L370-Y429 WeakPolarHBondContact O-CD1 3.47Å; L370-Y429 WeakPolarHBondContact O-CE1 3.38Å; L370-L430 HydrophobicContact CD1-CD1 4.14Å; L370-L430 HydrophobicContact CD1-CD2 3.85Å; L370-L430 HydrophobicContact CD1-CG 3.64Å |
| 371 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -107 | 12.2 | -168.5 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | S367 G373 Y429 K445 L448 | S367-T371 VanDerWaalsContact O-CB 3.3Å; S367-T371 WeakPolarHBondContact O-CB 3.47Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 3.38Å; S367-T371 PolarHBondContact O-OG1 2.87Å; T371-G373 VanDerWaalsContact C-N 3.27Å; T371-G373 PolarHBondContact O-N 2.67Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.41Å; T371-Y429 HydrophobicContact CG2-CE1 3.82Å; T371-Y429 HydrophobicContact CG2-CE2 3.82Å; T371-Y429 VanDerWaalsContact CG2-CZ 3.5Å; T371-K445 WeakPolarHBondContact OG1-CD 3.37Å; T371-K445 VanDerWaalsContact OG1-CG 3.31Å; T371-K445 WeakPolarHBondContact OG1-CG 3.41Å; T371-L448 HydrophobicContact CG2-CD2 4.39Å |
| 372 | Q | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 43.2 | 180 | -58.8 | 174.8 | 0.4 | 0 | 0 | 111.8 | D368 F377 A386 | D368-Q372 PolarHBondContact O-N 3.29Å; Q372-F377 VanDerWaalsContact C-CD2 3.42Å; Q372-F377 HydrophobicContact CB-CB 4.13Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4.01Å; Q372-F377 HydrophobicContact CB-CE1 3.92Å; Q372-F377 HydrophobicContact CB-CE2 4.29Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.24Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.17Å; Q372-F377 WeakPolarHBondContact O-CB 3.32Å; Q372-A386 VanDerWaalsContact NE2-C 3.26Å; Q372-A386 PolarHBondContact NE2-O 3.14Å |
| 373 | G | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -84.4 | -15.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | D368 T371 E444 | D368-G373 PolarHBondContact O-N 2.93Å; D368-G373 WeakPolarHBondContact OD1-CA 3.33Å; T371-G373 VanDerWaalsContact C-N 3.27Å; T371-G373 PolarHBondContact O-N 2.67Å; G373-E444 WeakPolarHBondContact O-CG 3.31Å | ||
| 374 | Y | 94.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -71.3 | 141.4 | 176 | -65.8 | -58.7 | 0 | 0 | 0 | 111.4 | D368 E369 Y376 F377 L393 W537 | D368-Y374 HydrophobicContact CB-CD1 4.18Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.82Å; D368-Y374 HydrophobicContact CB-CE2 3.76Å; D368-Y374 HydrophobicContact CB-CG 4.33Å; E369-Y374 HydrophobicContact CG-CE2 4.17Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.33Å; E369-Y374 PolarHBondContact OE1-OH 3.31Å; Y374-Y376 AromaticContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.9Å; Y374-Y376 HydrophobicContact CG-CE1 3.9Å; Y374-Y376 PolarHBondContact O-N 3.1Å; Y374-F377 HydrophobicContact CD2-CE2 4.1Å; Y374-F377 WeakPolarHBondContact O-CB 3.39Å; Y374-F377 WeakPolarHBondContact O-CD2 3.12Å; Y374-F377 PolarHBondContact O-N 2.73Å; Y374-L393 HydrophobicContact CD2-CD1 3.93Å; Y374-L393 HydrophobicContact CE2-CD1 4.07Å; Y374-W537 HydrophobicContact CD1-CZ2 4.43Å; Y374-W537 HydrophobicContact CD2-CZ2 4.28Å; Y374-W537 HydrophobicContact CE1-CZ2 4.32Å; Y374-W537 HydrophobicContact CE2-CZ2 4.18Å; Y374-W537 HydrophobicContact CG-CZ2 4.42Å |
| 375 | I | 90.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.138 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -55.5 | -28.6 | -176.5 | -61.8 | -56.3 | 0 | 0 | 0 | 113.4 | F377 H378 K467 H554 Y555 | I375-F377 PolarHBondContact O-N 2.91Å; I375-H378 WeakPolarHBondContact O-CB 3.39Å; I375-H378 PolarHBondContact O-CD2 2.96Å; I375-H378 VanDerWaalsContact O-CD2 3.25Å; I375-H378 PolarHBondContact O-N 3.43Å; I375-K467 HydrophobicContact CD1-CB 4.11Å; I375-H554 HydrophobicContact CG2-CB 4.3Å; I375-Y555 HydrophobicContact CG1-CD2 4.32Å; I375-Y555 HydrophobicContact CG1-CE2 3.8Å |
| 376 | Y | 92.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -69.8 | -16.3 | 179 | 75.6 | -91.5 | 0 | 0 | 0 | 113.5 | Y374 H378 K379 E389 L393 W537 P539 K540 W541 | Y374-Y376 AromaticContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CD2-CE1 3.95Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.9Å; Y374-Y376 HydrophobicContact CG-CE1 3.9Å; Y374-Y376 PolarHBondContact O-N 3.1Å; Y376-H378 PolarHBondContact O-N 3.4Å; Y376-K379 WeakPolarHBondContact O-CB 3.46Å; Y376-K379 PolarHBondContact O-N 3.31Å; Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.02Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.44Å; Y376-W537 HydrophobicContact CE1-CH2 4.45Å; Y376-W537 HydrophobicContact CE1-CZ2 4.35Å; Y376-P539 HydrophobicContact CD1-CB 3.64Å; Y376-P539 HydrophobicContact CD2-CB 4.46Å; Y376-P539 HydrophobicContact CE1-CB 4.24Å; Y376-P539 HydrophobicContact CG-CB 3.76Å; Y376-K540 HydrophobicContact CD2-CB 4.06Å; Y376-K540 WeakPolarHBondContact CD2-O 3.03Å; Y376-K540 HydrophobicContact CE2-CB 3.78Å; Y376-W541 AromaticContact CD2-CE3 3.69Å; Y376-W541 HydrophobicContact CD2-CE3 3.69Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.19Å; Y376-W541 AromaticContact CE2-CZ3 3.86Å; Y376-W541 HydrophobicContact CE2-CZ3 3.86Å |
| 377 | F | 95.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -63.6 | -22.8 | 172.2 | -78.8 | -78 | 0 | 0 | 0 | 113.6 | Q372 Y374 I375 K379 A380 A386 E389 L393 P439 W541 | Q372-F377 VanDerWaalsContact C-CD2 3.42Å; Q372-F377 HydrophobicContact CB-CB 4.13Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4.01Å; Q372-F377 HydrophobicContact CB-CE1 3.92Å; Q372-F377 HydrophobicContact CB-CE2 4.29Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.24Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.17Å; Q372-F377 WeakPolarHBondContact O-CB 3.32Å; Y374-F377 HydrophobicContact CD2-CE2 4.1Å; Y374-F377 WeakPolarHBondContact O-CB 3.39Å; Y374-F377 WeakPolarHBondContact O-CD2 3.12Å; Y374-F377 PolarHBondContact O-N 2.73Å; I375-F377 PolarHBondContact O-N 2.91Å; F377-K379 PolarHBondContact O-N 2.85Å; F377-K379 VanDerWaalsContact O-N 3.1Å; F377-A380 WeakPolarHBondContact O-CB 3.36Å; F377-A380 PolarHBondContact O-N 2.93Å; F377-A380 VanDerWaalsContact O-N 3.1Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.39Å; F377-A386 WeakPolarHBondContact CE1-O 3.42Å; F377-E389 HydrophobicContact CE1-CB 3.94Å; F377-E389 HydrophobicContact CE1-CG 3.73Å; F377-E389 HydrophobicContact CZ-CB 4.3Å; F377-E389 HydrophobicContact CZ-CG 3.7Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.7Å; F377-P439 HydrophobicContact CB-CG 4.23Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CE1-CH2 4.27Å; F377-W541 HydrophobicContact CE1-CZ3 4.43Å |
| 378 | H | 93.3 | Very high | 96.3 | Very high | 71 Ų | 71 | 34 Ų | 34 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -62.6 | -14.9 | 169.8 | -67.7 | -71 | 0 | 0 | 0 | 113.5 | I375 Y376 P439 E444 | I375-H378 WeakPolarHBondContact O-CB 3.39Å; I375-H378 PolarHBondContact O-CD2 2.96Å; I375-H378 VanDerWaalsContact O-CD2 3.25Å; I375-H378 PolarHBondContact O-N 3.43Å; Y376-H378 PolarHBondContact O-N 3.4Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.41Å; H378-P439 WeakPolarHBondContact ND1-CB 3.4Å; H378-E444 IonicContact NE2-OE2 2.71Å |
| 379 | K | 93.8 | Very high | 96.3 | Very high | 71 Ų | 71 | 33.2 Ų | 33.2 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -107.5 | 9.8 | 178.3 | -60.2 | -175.2 | 178.3 | -172.5 | 0 | 113.1 | Y376 F377 P381 W541 I542 | Y376-K379 WeakPolarHBondContact O-CB 3.46Å; Y376-K379 PolarHBondContact O-N 3.31Å; F377-K379 PolarHBondContact O-N 2.85Å; F377-K379 VanDerWaalsContact O-N 3.1Å; K379-P381 WeakPolarHBondContact O-CD 3.45Å; K379-W541 HydrophobicContact CB-CB 4.3Å; K379-I542 HydrophobicContact CD-CD1 3.91Å; K379-I542 HydrophobicContact CD-CG1 3.68Å |
| 380 | A | 96 | Very high | 96.3 | Very high | 25 Ų | 25 | 33 Ų | 33 | 21% | 0.207 | 17% | 0.171 | C | C | . | . | trans | -58.7 | 129.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F377 S382 A386 W541 | F377-A380 WeakPolarHBondContact O-CB 3.36Å; F377-A380 PolarHBondContact O-N 2.93Å; F377-A380 VanDerWaalsContact O-N 3.1Å; A380-S382 VanDerWaalsContact C-N 3.3Å; A380-S382 PolarHBondContact O-N 2.97Å; A380-A386 HydrophobicContact CB-CB 3.74Å; A380-W541 HydrophobicContact CB-CE3 4.05Å; A380-W541 HydrophobicContact CB-CH2 3.52Å; A380-W541 HydrophobicContact CB-CZ2 4.02Å; A380-W541 HydrophobicContact CB-CZ3 3.54Å | ||
| 381 | P | 96.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 54% | 0.539 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -65.9 | -31.2 | -179.9 | -26.2 | 36.9 | 0 | 0 | 0 | 113.6 | K379 E385 W541 | K379-P381 WeakPolarHBondContact O-CD 3.45Å; P381-E385 WeakPolarHBondContact CB-OE1 3.43Å; P381-E385 VanDerWaalsContact CD-OE2 3.28Å; P381-E385 WeakPolarHBondContact CD-OE2 3.47Å; P381-E385 VanDerWaalsContact CG-OE2 3.22Å; P381-E385 WeakPolarHBondContact CG-OE2 3.41Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.48Å |
| 382 | S | 97.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -150.2 | 164.4 | 175.4 | 87.2 | 0 | 0 | 0 | 0 | 111.9 | A380 E384 E385 A386 | A380-S382 VanDerWaalsContact C-N 3.3Å; A380-S382 PolarHBondContact O-N 2.97Å; S382-E384 VanDerWaalsContact C-N 3.27Å; S382-E384 VanDerWaalsContact CB-OE2 3.23Å; S382-E384 WeakPolarHBondContact CB-OE2 3.29Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.82Å; S382-E384 PolarHBondContact OG-OE2 3.32Å; S382-E385 PolarHBondContact O-N 3.39Å; S382-E385 PolarHBondContact OG-N 2.91Å; S382-A386 PolarHBondContact O-N 3.04Å |
| 383 | P | 97.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 37 Ų | 37 | 22% | 0.221 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.3 | -36.6 | 171.9 | -25.6 | 36 | 0 | 0 | 0 | 113.9 | A386 E387 P434 E435 T438 | P383-A386 WeakPolarHBondContact O-CB 3.34Å; P383-A386 PolarHBondContact O-N 3.45Å; P383-E387 WeakPolarHBondContact O-CB 3.49Å; P383-E387 PolarHBondContact O-N 3.35Å; P383-P434 HydrophobicContact CB-CB 3.56Å; P383-E435 HydrophobicContact CB-CG 4.25Å; P383-E435 HydrophobicContact CG-CG 3.98Å; P383-T438 HydrophobicContact CB-CG2 3.89Å; P383-T438 HydrophobicContact CG-CG2 4.14Å |
| 384 | E | 97.7 | Very high | 96.3 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.9 | -44.2 | 178.2 | -58.4 | 73.1 | -159.6 | 0 | 0 | 111.2 | S382 A386 E387 E388 | S382-E384 VanDerWaalsContact C-N 3.27Å; S382-E384 VanDerWaalsContact CB-OE2 3.23Å; S382-E384 WeakPolarHBondContact CB-OE2 3.29Å; S382-E384 PolarHBondContact O-N 3.41Å; S382-E384 PolarHBondContact OG-N 2.82Å; S382-E384 PolarHBondContact OG-OE2 3.32Å; E384-A386 VanDerWaalsContact C-N 3.27Å; E384-A386 PolarHBondContact O-N 3.02Å; E384-E387 WeakPolarHBondContact O-CB 3.33Å; E384-E387 PolarHBondContact O-N 2.85Å; E384-E387 VanDerWaalsContact O-N 3.14Å; E384-E388 PolarHBondContact O-N 2.89Å |
| 385 | E | 97.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -35.6 | 174.5 | -75.7 | -163.9 | -138.3 | 0 | 0 | 111.9 | P381 S382 E389 W541 | P381-E385 WeakPolarHBondContact CB-OE1 3.43Å; P381-E385 VanDerWaalsContact CD-OE2 3.28Å; P381-E385 WeakPolarHBondContact CD-OE2 3.47Å; P381-E385 VanDerWaalsContact CG-OE2 3.22Å; P381-E385 WeakPolarHBondContact CG-OE2 3.41Å; S382-E385 PolarHBondContact O-N 3.39Å; S382-E385 PolarHBondContact OG-N 2.91Å; E385-E389 VanDerWaalsContact O-CB 3.31Å; E385-E389 WeakPolarHBondContact O-CB 3.42Å; E385-E389 PolarHBondContact O-N 3.23Å; E385-E389 VanDerWaalsContact O-N 3.08Å; E385-W541 HydrophobicContact CB-CZ2 3.99Å; E385-W541 PolarHBondContact OE2-NE1 3.06Å |
| 386 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q372 F377 A380 S382 P383 E384 S390 | Q372-A386 VanDerWaalsContact NE2-C 3.26Å; Q372-A386 PolarHBondContact NE2-O 3.14Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.39Å; F377-A386 WeakPolarHBondContact CE1-O 3.42Å; A380-A386 HydrophobicContact CB-CB 3.74Å; S382-A386 PolarHBondContact O-N 3.04Å; P383-A386 WeakPolarHBondContact O-CB 3.34Å; P383-A386 PolarHBondContact O-N 3.45Å; E384-A386 VanDerWaalsContact C-N 3.27Å; E384-A386 PolarHBondContact O-N 3.02Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.7Å |
| 387 | E | 97.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -49.1 | 175.2 | 173.1 | 176.8 | -115.4 | 0 | 0 | 112 | R208 P383 E384 E389 S390 E391 R437 | R208-E387 IonicContact CZ-OE1 3.47Å; R208-E387 VanDerWaalsContact CZ-OE1 3.23Å; R208-E387 IonicContact CZ-OE2 3.47Å; R208-E387 IonicContact NH1-OE1 3.9Å; R208-E387 PolarHBondContact NH1-OE1 3.25Å; R208-E387 IonicContact NH1-OE2 2.75Å; R208-E387 PolarHBondContact NH1-OE2 3.3Å; R208-E387 VanDerWaalsContact NH1-OE2 3.16Å; R208-E387 IonicContact NH2-OE1 3.27Å; R208-E387 PolarHBondContact NH2-OE1 3.2Å; R208-E387 IonicContact NH2-OE2 3.49Å; R208-E387 PolarHBondContact NH2-OE2 2.97Å; P383-E387 WeakPolarHBondContact O-CB 3.49Å; P383-E387 PolarHBondContact O-N 3.35Å; E384-E387 WeakPolarHBondContact O-CB 3.33Å; E384-E387 PolarHBondContact O-N 2.85Å; E384-E387 VanDerWaalsContact O-N 3.14Å; E387-E389 PolarHBondContact O-N 3.18Å; E387-S390 WeakPolarHBondContact O-CB 3.36Å; E387-S390 PolarHBondContact O-N 3.31Å; E387-S390 VanDerWaalsContact O-N 3.16Å; E387-E391 PolarHBondContact O-N 3.46Å; E387-R437 IonicContact OE1-CZ 2.99Å; E387-R437 IonicContact OE1-NH2 2.71Å; E387-R437 PolarHBondContact OE1-NH2 2.87Å |
| 388 | E | 97.4 | Very high | 97.2 | Very high | 122 Ų | 122 | 43.9 Ų | 43.9 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.5 | -38.7 | 176.6 | -75.9 | -173.9 | -177.9 | 0 | 0 | 112 | E384 R392 | E384-E388 PolarHBondContact O-N 2.89Å; E388-R392 WeakPolarHBondContact O-CB 3.39Å; E388-R392 PolarHBondContact O-N 3.21Å |
| 389 | E | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 176.2 | 178.3 | 61.6 | -177.1 | 0 | 0 | 112.3 | Y376 F377 E385 E387 E391 R392 L393 K540 W541 | Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.02Å; F377-E389 HydrophobicContact CE1-CB 3.94Å; F377-E389 HydrophobicContact CE1-CG 3.73Å; F377-E389 HydrophobicContact CZ-CB 4.3Å; F377-E389 HydrophobicContact CZ-CG 3.7Å; E385-E389 VanDerWaalsContact O-CB 3.31Å; E385-E389 WeakPolarHBondContact O-CB 3.42Å; E385-E389 PolarHBondContact O-N 3.23Å; E385-E389 VanDerWaalsContact O-N 3.08Å; E387-E389 PolarHBondContact O-N 3.18Å; E389-E391 VanDerWaalsContact C-N 3.31Å; E389-E391 PolarHBondContact O-N 3.03Å; E389-R392 WeakPolarHBondContact O-CB 3.35Å; E389-R392 PolarHBondContact O-N 2.83Å; E389-R392 IonicContact OE1-CZ 2.71Å; E389-R392 IonicContact OE1-NE 3.46Å; E389-R392 IonicContact OE1-NH2 3.13Å; E389-R392 PolarHBondContact OE1-NH2 3.03Å; E389-R392 IonicContact OE2-CZ 2.64Å; E389-R392 IonicContact OE2-NE 3.53Å; E389-R392 PolarHBondContact OE2-NE 3.28Å; E389-R392 IonicContact OE2-NH2 3.59Å; E389-L393 HydrophobicContact CG-CD1 4.49Å; E389-L393 VanDerWaalsContact O-CG 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.45Å; E389-L393 PolarHBondContact O-N 3.35Å; E389-K540 HydrophobicContact CG-CD 4.41Å; E389-K540 WeakPolarHBondContact OE2-CD 3.27Å; E389-K540 WeakPolarHBondContact OE2-CE 3.44Å; E389-K540 IonicContact OE2-NZ 3.8Å; E389-K540 PolarHBondContact OE2-NZ 3.41Å; E389-W541 HydrophobicContact CB-CH2 3.82Å; E389-W541 HydrophobicContact CB-CZ2 4.17Å; E389-W541 HydrophobicContact CG-CH2 3.99Å |
| 390 | S | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | E369 A386 E387 R392 L393 L394 | E369-S390 WeakPolarHBondContact O-CB 3.44Å; E369-S390 PolarHBondContact O-OG 2.87Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.7Å; E387-S390 WeakPolarHBondContact O-CB 3.36Å; E387-S390 PolarHBondContact O-N 3.31Å; E387-S390 VanDerWaalsContact O-N 3.16Å; S390-R392 PolarHBondContact O-N 2.91Å; S390-L393 PolarHBondContact O-N 2.63Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.38Å; S390-L394 PolarHBondContact O-N 3.22Å |
| 391 | E | 97.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.1 | -67.7 | -178.8 | -161.5 | 0 | 0 | 113.6 | R208 E387 E389 L393 L394 R395 | R208-E391 IonicContact CZ-OE1 3.57Å; R208-E391 IonicContact NE-OE1 3.07Å; R208-E391 PolarHBondContact NE-OE1 3.36Å; R208-E391 IonicContact NH2-OE1 2.87Å; R208-E391 PolarHBondContact NH2-OE1 3.26Å; E387-E391 PolarHBondContact O-N 3.46Å; E389-E391 VanDerWaalsContact C-N 3.31Å; E389-E391 PolarHBondContact O-N 3.03Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 2.99Å; E391-L394 PolarHBondContact O-N 3.08Å; E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-N 2.91Å; E391-R395 IonicContact OE2-NH1 3.93Å; E391-R395 PolarHBondContact OE2-NH1 3.01Å |
| 392 | R | 97.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 177 | -174 | -168.2 | 70.3 | 77.7 | 4.3 | 110 | E388 E389 S390 R395 E396 | E388-R392 WeakPolarHBondContact O-CB 3.39Å; E388-R392 PolarHBondContact O-N 3.21Å; E389-R392 WeakPolarHBondContact O-CB 3.35Å; E389-R392 PolarHBondContact O-N 2.83Å; E389-R392 IonicContact OE1-CZ 2.71Å; E389-R392 IonicContact OE1-NE 3.46Å; E389-R392 IonicContact OE1-NH2 3.13Å; E389-R392 PolarHBondContact OE1-NH2 3.03Å; E389-R392 IonicContact OE2-CZ 2.64Å; E389-R392 IonicContact OE2-NE 3.53Å; E389-R392 PolarHBondContact OE2-NE 3.28Å; E389-R392 IonicContact OE2-NH2 3.59Å; S390-R392 PolarHBondContact O-N 2.91Å; R392-R395 PolarHBondContact O-N 3.41Å; R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.32Å; R392-E396 IonicContact CZ-OE1 3.8Å; R392-E396 IonicContact CZ-OE2 3.05Å; R392-E396 IonicContact NH1-OE1 3.64Å; R392-E396 PolarHBondContact NH1-OE1 2.96Å; R392-E396 IonicContact NH1-OE2 2.76Å; R392-E396 PolarHBondContact NH1-OE2 3.16Å; R392-E396 WeakPolarHBondContact O-CB 3.43Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 3.49Å |
| 393 | L | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.2 | -65.4 | 172.5 | 0 | 0 | 0 | 111.8 | E369 Y374 Y376 F377 E389 S390 E391 R395 E396 L397 | E369-L393 HydrophobicContact CB-CB 3.88Å; E369-L393 HydrophobicContact CB-CD1 4.43Å; E369-L393 HydrophobicContact CG-CB 3.63Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; Y374-L393 HydrophobicContact CD2-CD1 3.93Å; Y374-L393 HydrophobicContact CE2-CD1 4.07Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.44Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.7Å; E389-L393 HydrophobicContact CG-CD1 4.49Å; E389-L393 VanDerWaalsContact O-CG 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.45Å; E389-L393 PolarHBondContact O-N 3.35Å; S390-L393 PolarHBondContact O-N 2.63Å; E391-L393 VanDerWaalsContact C-N 3.31Å; E391-L393 PolarHBondContact O-N 2.99Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.36Å; L393-E396 CarbonylContact O-C 3.56Å; L393-E396 PolarHBondContact O-N 3.35Å; L393-L397 PolarHBondContact O-N 2.99Å |
| 394 | L | 98.2 | Very high | 98 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -37.8 | 177 | -72.2 | 172.1 | 0 | 0 | 0 | 112.5 | Y140 E369 L370 S390 E391 E396 L397 L421 L430 | Y140-L394 HydrophobicContact CD1-CB 4.38Å; Y140-L394 HydrophobicContact CD1-CD2 4.41Å; Y140-L394 HydrophobicContact CE1-CB 4.19Å; Y140-L394 HydrophobicContact CE1-CD1 4.44Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; E369-L394 HydrophobicContact CB-CD2 3.85Å; E369-L394 HydrophobicContact CB-CG 4.16Å; L370-L394 HydrophobicContact CB-CD2 4.45Å; L370-L394 HydrophobicContact CD1-CD1 4.21Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.38Å; S390-L394 PolarHBondContact O-N 3.22Å; E391-L394 PolarHBondContact O-N 3.08Å; L394-E396 VanDerWaalsContact C-N 3.3Å; L394-L397 HydrophobicContact CD2-CD1 3.79Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L394-L430 HydrophobicContact CD1-CD1 3.79Å; L394-L430 HydrophobicContact CD1-CD2 3.98Å; L394-L430 HydrophobicContact CD1-CG 4.4Å |
| 395 | R | 97.6 | Very high | 98 | Very high | 135 Ų | 135 | 27.3 Ų | 27.3 | 51% | 0.509 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.2 | -29.1 | 174.2 | -73.4 | -171.6 | -64.2 | -92.9 | 2.3 | 112.9 | E391 R392 L393 Y398 | E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-N 2.91Å; E391-R395 IonicContact OE2-NH1 3.93Å; E391-R395 PolarHBondContact OE2-NH1 3.01Å; R392-R395 PolarHBondContact O-N 3.41Å; L393-R395 VanDerWaalsContact C-N 3.29Å; L393-R395 PolarHBondContact O-N 3.36Å; R395-Y398 VanDerWaalsContact O-CD1 3.22Å; R395-Y398 WeakPolarHBondContact O-CD1 3.48Å; R395-Y398 WeakPolarHBondContact O-CE1 3.45Å |
| 396 | E | 97.9 | Very high | 98 | Very high | 30 Ų | 30 | 23.6 Ų | 23.6 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -98.5 | -5.3 | -175.9 | -69.3 | 176.1 | -162.6 | 0 | 0 | 113.9 | R392 L393 L394 Y398 L399 F400 H535 | R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.32Å; R392-E396 IonicContact CZ-OE1 3.8Å; R392-E396 IonicContact CZ-OE2 3.05Å; R392-E396 IonicContact NH1-OE1 3.64Å; R392-E396 PolarHBondContact NH1-OE1 2.96Å; R392-E396 IonicContact NH1-OE2 2.76Å; R392-E396 PolarHBondContact NH1-OE2 3.16Å; R392-E396 WeakPolarHBondContact O-CB 3.43Å; R392-E396 WeakPolarHBondContact O-CG 3.33Å; R392-E396 PolarHBondContact O-N 3.49Å; L393-E396 CarbonylContact O-C 3.56Å; L393-E396 PolarHBondContact O-N 3.35Å; L394-E396 VanDerWaalsContact C-N 3.3Å; E396-Y398 PolarHBondContact O-N 2.89Å; E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 3.03Å; E396-F400 HydrophobicContact CB-CD2 4.12Å; E396-F400 HydrophobicContact CB-CE2 3.97Å; E396-F400 WeakPolarHBondContact O-CD2 3.34Å; E396-H535 VanDerWaalsContact CD-CE1 3.45Å; E396-H535 IonicContact OE1-CE1 2.94Å; E396-H535 PolarHBondContact OE1-CE1 3.29Å; E396-H535 IonicContact OE1-NE2 3.57Å; E396-H535 PolarHBondContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CD2 3.9Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.78Å; E396-H535 IonicContact OE2-NE2 2.73Å; E396-H535 PolarHBondContact OE2-NE2 3.35Å |
| 397 | L | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -45.9 | -40.5 | 178.7 | -89.1 | 174.9 | 0 | 0 | 0 | 112.7 | E369 L393 L394 L399 F400 D401 V402 L421 | E369-L397 VanDerWaalsContact CD-CD2 3.49Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.13Å; L393-L397 PolarHBondContact O-N 2.99Å; L394-L397 HydrophobicContact CD2-CD1 3.79Å; L397-L399 PolarHBondContact O-N 2.95Å; L397-L399 VanDerWaalsContact O-N 3.14Å; L397-F400 CarbonylContact O-C 3.53Å; L397-F400 PolarHBondContact O-N 3.49Å; L397-D401 HydrophobicContact CD2-CB 3.96Å; L397-D401 PolarHBondContact O-N 3.14Å; L397-V402 HydrophobicContact CB-CB 4.17Å; L397-V402 HydrophobicContact CB-CG2 3.88Å; L397-V402 HydrophobicContact CD1-CG2 4.32Å; L397-V402 HydrophobicContact CD2-CG2 4.19Å; L397-V402 HydrophobicContact CG-CG2 4.38Å; L397-V402 WeakPolarHBondContact O-CB 3.45Å; L397-V402 PolarHBondContact O-N 3.24Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.65Å; L397-L421 HydrophobicContact CD1-CG 4.44Å |
| 398 | Y | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 15% | 0.149 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -64.5 | -12.7 | -179 | 85.6 | -80.7 | 0 | 0 | 0 | 115.1 | P179 P182 R395 E396 L403 | P179-Y398 HydrophobicContact CB-CE2 3.99Å; P182-Y398 HydrophobicContact CG-CD1 3.49Å; P182-Y398 VanDerWaalsContact CG-CD1 3.49Å; P182-Y398 HydrophobicContact CG-CD2 4.09Å; P182-Y398 HydrophobicContact CG-CE1 4.1Å; P182-Y398 HydrophobicContact CG-CG 3.47Å; P182-Y398 VanDerWaalsContact CG-CG 3.47Å; R395-Y398 VanDerWaalsContact O-CD1 3.22Å; R395-Y398 WeakPolarHBondContact O-CD1 3.48Å; R395-Y398 WeakPolarHBondContact O-CE1 3.45Å; E396-Y398 PolarHBondContact O-N 2.89Å; Y398-L403 WeakPolarHBondContact O-CB 3.28Å |
| 399 | L | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -95.8 | -21.3 | 173.9 | -62.9 | 173.2 | 0 | 0 | 0 | 112.4 | E396 L397 | E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 3.03Å; L397-L399 PolarHBondContact O-N 2.95Å; L397-L399 VanDerWaalsContact O-N 3.14Å |
| 400 | F | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -104.9 | -168.9 | -55 | -60.7 | 0 | 0 | 0 | 111.5 | D335 E396 L397 V402 L403 R404 L533 H535 W537 | D335-F400 HydrophobicContact CB-CD1 4.46Å; D335-F400 HydrophobicContact CB-CE1 4.35Å; E396-F400 HydrophobicContact CB-CD2 4.12Å; E396-F400 HydrophobicContact CB-CE2 3.97Å; E396-F400 WeakPolarHBondContact O-CD2 3.34Å; L397-F400 CarbonylContact O-C 3.53Å; L397-F400 PolarHBondContact O-N 3.49Å; F400-V402 PolarHBondContact O-N 3.31Å; F400-L403 WeakPolarHBondContact O-CA 3.26Å; F400-L403 WeakPolarHBondContact O-CB 3.45Å; F400-L403 PolarHBondContact O-N 3.36Å; F400-L403 VanDerWaalsContact O-N 3.1Å; F400-R404 PolarHBondContact O-N 3.06Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.38Å; F400-H535 AromaticContact CE2-NE2 3.75Å; F400-H535 AromaticContact CZ-CD2 3.73Å; F400-H535 AromaticContact CZ-NE2 3.69Å; F400-W537 HydrophobicContact CD1-CB 3.76Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.72Å; F400-W537 HydrophobicContact CE1-CB 3.59Å; F400-W537 HydrophobicContact CE1-CG 4.49Å; F400-W537 HydrophobicContact CE2-CB 4.42Å; F400-W537 HydrophobicContact CG-CB 4.26Å; F400-W537 AromaticContact CG-CD1 3.81Å; F400-W537 HydrophobicContact CG-CG 4.43Å; F400-W537 HydrophobicContact CZ-CB 3.94Å |
| 401 | D | 97.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 12% | 0.118 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | -170.6 | -68.7 | -92.2 | 0 | 0 | 0 | 114 | E365 L397 R404 A405 | E365-D401 HydrophobicContact CG-CB 4.33Å; L397-D401 HydrophobicContact CD2-CB 3.96Å; L397-D401 PolarHBondContact O-N 3.14Å; D401-R404 PolarHBondContact O-N 2.9Å; D401-R404 IonicContact OD1-CZ 3.83Å; D401-R404 IonicContact OD1-NE 2.8Å; D401-R404 IonicContact OD1-NH2 3.93Å; D401-R404 PolarHBondContact OD1-NH2 3.1Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.28Å; D401-A405 PolarHBondContact O-N 3.1Å |
| 402 | V | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.8 | -33.7 | 175.7 | 160.7 | 0 | 0 | 0 | 0 | 111.2 | G141 V142 L397 F400 A405 D406 L421 | G141-V402 WeakPolarHBondContact O-CG1 3.31Å; V142-V402 VanDerWaalsContact CA-CG1 3.46Å; V142-V402 HydrophobicContact CB-CG1 4.49Å; L397-V402 HydrophobicContact CB-CB 4.17Å; L397-V402 HydrophobicContact CB-CG2 3.88Å; L397-V402 HydrophobicContact CD1-CG2 4.32Å; L397-V402 HydrophobicContact CD2-CG2 4.19Å; L397-V402 HydrophobicContact CG-CG2 4.38Å; L397-V402 WeakPolarHBondContact O-CB 3.45Å; L397-V402 PolarHBondContact O-N 3.24Å; F400-V402 PolarHBondContact O-N 3.31Å; V402-A405 PolarHBondContact O-N 2.61Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 2.72Å; V402-L421 HydrophobicContact CG2-CD1 3.77Å |
| 403 | L | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 6% | 0.063 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.3 | -52.1 | 171.8 | 179.5 | 153.5 | 0 | 0 | 0 | 110.4 | L331 T333 T338 Y398 F400 A405 D406 R407 | L331-L403 HydrophobicContact CB-CD2 4Å; L331-L403 HydrophobicContact CD2-CD2 3.6Å; L331-L403 HydrophobicContact CG-CD2 4.4Å; L331-L403 WeakPolarHBondContact O-CD2 3.43Å; T333-L403 HydrophobicContact CG2-CD2 3.99Å; T338-L403 HydrophobicContact CG2-CD2 4.04Å; Y398-L403 WeakPolarHBondContact O-CB 3.28Å; F400-L403 WeakPolarHBondContact O-CA 3.26Å; F400-L403 WeakPolarHBondContact O-CB 3.45Å; F400-L403 PolarHBondContact O-N 3.36Å; F400-L403 VanDerWaalsContact O-N 3.1Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.16Å; L403-D406 PolarHBondContact O-N 2.82Å; L403-R407 HydrophobicContact CD2-CG 4.28Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.37Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.37Å; L403-R407 PolarHBondContact O-N 3.39Å |
| 404 | R | 98.7 | Very high | 98.5 | Very high | 13 Ų | 13 | 14.9 Ų | 14.9 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -52.9 | -53.8 | 175.5 | 166.1 | 172.3 | 63.3 | 69.2 | 2.3 | 110.8 | L331 T338 S342 M345 E365 F400 D401 D406 R407 T408 | L331-R404 HydrophobicContact CD2-CB 4.43Å; T338-R404 HydrophobicContact CG2-CB 4.21Å; S342-R404 WeakPolarHBondContact OG-CD 3.22Å; S342-R404 WeakPolarHBondContact OG-CG 3.17Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.68Å; E365-R404 IonicContact OE1-CZ 3.29Å; E365-R404 IonicContact OE1-NH1 3.66Å; E365-R404 PolarHBondContact OE1-NH1 3.05Å; E365-R404 IonicContact OE1-NH2 3.54Å; E365-R404 PolarHBondContact OE1-NH2 3.16Å; F400-R404 PolarHBondContact O-N 3.06Å; D401-R404 PolarHBondContact O-N 2.9Å; D401-R404 IonicContact OD1-CZ 3.83Å; D401-R404 IonicContact OD1-NE 2.8Å; D401-R404 IonicContact OD1-NH2 3.93Å; D401-R404 PolarHBondContact OD1-NH2 3.1Å; R404-D406 PolarHBondContact O-N 3.39Å; R404-R407 PolarHBondContact O-N 3.43Å; R404-T408 HydrophobicContact CG-CG2 4.48Å; R404-T408 WeakPolarHBondContact O-CB 3.37Å; R404-T408 VanDerWaalsContact O-CG2 3.32Å; R404-T408 WeakPolarHBondContact O-CG2 3.43Å; R404-T408 PolarHBondContact O-N 3.3Å; R404-T408 PolarHBondContact O-OG1 3.21Å |
| 405 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | M345 E365 D401 V402 L403 T409 L416 | M345-A405 HydrophobicContact CE-CB 3.67Å; M345-A405 HydrophobicContact SD-CB 4.18Å; E365-A405 HydrophobicContact CG-CB 4.1Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.28Å; D401-A405 PolarHBondContact O-N 3.1Å; V402-A405 PolarHBondContact O-N 2.61Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.16Å; A405-T409 WeakPolarHBondContact O-CB 3.34Å; A405-T409 WeakPolarHBondContact O-CG2 3.46Å; A405-T409 PolarHBondContact O-OG1 3.41Å; A405-L416 HydrophobicContact CB-CD1 4.18Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.4Å |
| 406 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67.8 | -54.7 | 175 | 172.1 | -80.7 | 0 | 0 | 0 | 111.9 | M1 R27 P144 V402 L403 R404 T408 T409 A410 | M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.93Å; M1-D406 WeakPolarHBondContact CE-O 3.26Å; M1-D406 WeakPolarHBondContact CE-OD2 3Å; R27-D406 IonicContact CZ-OD1 3.91Å; R27-D406 IonicContact CZ-OD2 3.53Å; R27-D406 IonicContact NH1-OD1 3.21Å; R27-D406 PolarHBondContact NH1-OD1 3.22Å; R27-D406 IonicContact NH1-OD2 3.56Å; R27-D406 IonicContact NH2-OD1 3.64Å; R27-D406 PolarHBondContact NH2-OD1 3.37Å; R27-D406 IonicContact NH2-OD2 3.21Å; R27-D406 PolarHBondContact NH2-OD2 3.27Å; P144-D406 WeakPolarHBondContact CD-OD2 3.28Å; P144-D406 WeakPolarHBondContact CG-OD1 3.22Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 2.72Å; L403-D406 PolarHBondContact O-N 2.82Å; R404-D406 PolarHBondContact O-N 3.39Å; D406-T408 PolarHBondContact O-N 3.3Å; D406-T409 PolarHBondContact O-N 2.65Å; D406-T409 PolarHBondContact O-OG1 3.35Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 3.32Å |
| 407 | R | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 7.1 Ų | 7.1 | 2% | 0.019 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | -170 | -64.3 | -58.3 | 179.2 | -64.6 | -16.7 | 112.4 | P144 L331 E332 L403 R404 A411 | P144-R407 VanDerWaalsContact CG-NH1 3.29Å; L331-R407 HydrophobicContact CD2-CB 4.19Å; E332-R407 IonicContact OE2-NE 2.79Å; L403-R407 HydrophobicContact CD2-CG 4.28Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.37Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.37Å; L403-R407 PolarHBondContact O-N 3.39Å; R404-R407 PolarHBondContact O-N 3.43Å; R407-A411 VanDerWaalsContact O-CB 3.26Å; R407-A411 WeakPolarHBondContact O-CB 3.22Å; R407-A411 PolarHBondContact O-N 3.2Å |
| 408 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -73.5 | -35.2 | -177.1 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | L331 M345 S349 R404 D406 | L331-T408 HydrophobicContact CD2-CG2 4.14Å; M345-T408 HydrophobicContact CB-CG2 4.4Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.37Å; M345-T408 PolarHBondContact SD-OG1 3.37Å; M345-T408 VanDerWaalsContact SD-OG1 3.4Å; S349-T408 WeakPolarHBondContact CB-O 3.27Å; S349-T408 PolarHBondContact OG-O 3.35Å; R404-T408 HydrophobicContact CG-CG2 4.48Å; R404-T408 WeakPolarHBondContact O-CB 3.37Å; R404-T408 VanDerWaalsContact O-CG2 3.32Å; R404-T408 WeakPolarHBondContact O-CG2 3.43Å; R404-T408 PolarHBondContact O-N 3.3Å; R404-T408 PolarHBondContact O-OG1 3.21Å; D406-T408 PolarHBondContact O-N 3.3Å |
| 409 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -75.4 | -42.7 | 174.2 | 57 | 0 | 0 | 0 | 0 | 111.5 | M1 M345 A405 D406 A411 H412 L414 | M1-T409 WeakPolarHBondContact CE-OG1 3.45Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; A405-T409 WeakPolarHBondContact O-CB 3.34Å; A405-T409 WeakPolarHBondContact O-CG2 3.46Å; A405-T409 PolarHBondContact O-OG1 3.41Å; D406-T409 PolarHBondContact O-N 2.65Å; D406-T409 PolarHBondContact O-OG1 3.35Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.29Å; T409-H412 PolarHBondContact O-N 3.23Å; T409-H412 VanDerWaalsContact O-N 3.17Å; T409-L414 WeakPolarHBondContact O-CB 3.48Å; T409-L414 PolarHBondContact O-N 3.43Å; T409-L414 VanDerWaalsContact O-N 3.11Å |
| 410 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.6 | -28.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | M1 H26 R27 D406 H412 G413 | M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.77Å; H26-A410 CarbonylContact C-O 3.59Å; H26-A410 VanDerWaalsContact O-O 3.06Å; R27-A410 WeakPolarHBondContact CA-O 3.46Å; R27-A410 HydrophobicContact CB-CB 4.46Å; R27-A410 HydrophobicContact CG-CB 4.1Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 3.32Å; A410-H412 PolarHBondContact O-N 3.37Å; A410-G413 PolarHBondContact O-N 2.82Å |
| 411 | A | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 4.9 Ų | 4.9 | 11% | 0.107 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y346 R407 T409 | Y346-A411 HydrophobicContact CD2-CB 4.02Å; Y346-A411 HydrophobicContact CE2-CB 3.56Å; R407-A411 VanDerWaalsContact O-CB 3.26Å; R407-A411 WeakPolarHBondContact O-CB 3.22Å; R407-A411 PolarHBondContact O-N 3.2Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.29Å |
| 412 | H | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 3.9 Ų | 3.9 | 12% | 0.116 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 18 | 179.6 | -58.7 | -62.3 | 0 | 0 | 0 | 113.4 | Y346 K350 R353 T409 A410 L414 | Y346-H412 AromaticContact CD1-NE2 3.63Å; Y346-H412 AromaticContact CD2-NE2 3.68Å; Y346-H412 AromaticContact CE1-CE1 3.7Å; Y346-H412 AromaticContact CE1-NE2 3.34Å; Y346-H412 VanDerWaalsContact CE1-NE2 3.34Å; Y346-H412 WeakPolarHBondContact CE1-NE2 3.37Å; Y346-H412 AromaticContact CE2-CE1 4Å; Y346-H412 AromaticContact CE2-NE2 3.42Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.22Å; Y346-H412 AromaticContact CG-NE2 3.76Å; Y346-H412 AromaticContact CZ-CE1 3.45Å; Y346-H412 VanDerWaalsContact CZ-CE1 3.45Å; Y346-H412 AromaticContact CZ-NE2 3.2Å; Y346-H412 PolarHBondContact O-CD2 3.15Å; Y346-H412 PolarHBondContact O-NE2 3.46Å; Y346-H412 PolarHBondContact OH-CE1 3.41Å; K350-H412 PolarHBondContact N-CD2 3.35Å; K350-H412 VanDerWaalsContact N-CD2 3.3Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.36Å; R353-H412 WeakPolarHBondContact CD-O 3.35Å; R353-H412 HydrophobicContact CG-CB 4.47Å; R353-H412 VanDerWaalsContact CG-O 3.23Å; R353-H412 WeakPolarHBondContact CG-O 3.42Å; R353-H412 PolarHBondContact NH1-O 3.16Å; T409-H412 PolarHBondContact O-N 3.23Å; T409-H412 VanDerWaalsContact O-N 3.17Å; A410-H412 PolarHBondContact O-N 3.37Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 2.94Å |
| 413 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.01 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 32 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | H26 R27 L50 A410 | H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.41Å; H26-G413 PolarHBondContact O-N 3.32Å; R27-G413 WeakPolarHBondContact O-CA 3.42Å; L50-G413 VanDerWaalsContact CD1-O 3.3Å; L50-G413 WeakPolarHBondContact CD1-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.29Å; A410-G413 PolarHBondContact O-N 2.82Å |
| 414 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -101.6 | 157.2 | 173.4 | -55.6 | 176.8 | 0 | 0 | 0 | 110.3 | M1 S349 I352 R353 N358 I361 T409 H412 | M1-L414 WeakPolarHBondContact CG-O 3.06Å; M1-L414 PolarHBondContact N-O 2.98Å; S349-L414 WeakPolarHBondContact O-CD1 3.34Å; I352-L414 HydrophobicContact CB-CD1 3.82Å; I352-L414 HydrophobicContact CD1-CD1 4.36Å; I352-L414 HydrophobicContact CG2-CD1 3.71Å; I352-L414 HydrophobicContact CG2-CD2 3.99Å; R353-L414 HydrophobicContact CB-CD2 4.34Å; N358-L414 WeakPolarHBondContact O-CD2 3.4Å; I361-L414 HydrophobicContact CG1-CB 4.22Å; I361-L414 HydrophobicContact CG1-CD1 4.18Å; T409-L414 WeakPolarHBondContact O-CB 3.48Å; T409-L414 PolarHBondContact O-N 3.43Å; T409-L414 VanDerWaalsContact O-N 3.11Å; H412-L414 VanDerWaalsContact C-N 3.33Å; H412-L414 PolarHBondContact O-N 2.94Å | ||
| 415 | E | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 4.6 Ų | 4.6 | 1% | 0.014 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.8 | 173.7 | 176.2 | 173.6 | 91.3 | 0 | 0 | 112.4 | M1 L50 V52 E77 R143 V359 I361 R417 | M1-E415 HydrophobicContact CG-CB 4.1Å; M1-E415 HydrophobicContact CG-CG 4.06Å; L50-E415 HydrophobicContact CD2-CB 4.1Å; V52-E415 HydrophobicContact CG2-CB 4.34Å; E77-E415 WeakPolarHBondContact CG-OE2 3.45Å; R143-E415 VanDerWaalsContact NH2-CG 3.29Å; R143-E415 IonicContact NH2-OE2 2.65Å; R143-E415 PolarHBondContact NH2-OE2 3.26Å; V359-E415 PolarHBondContact O-N 3.4Å; I361-E415 PolarHBondContact N-O 2.8Å; E415-R417 IonicContact OE1-CZ 2.67Å; E415-R417 IonicContact OE1-NE 3.81Å; E415-R417 PolarHBondContact OE1-NE 2.97Å; E415-R417 IonicContact OE1-NH2 3.23Å; E415-R417 PolarHBondContact OE1-NH2 2.9Å |
| 416 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.6 | 172.1 | -177.8 | 75 | 0 | 0 | 0 | 112.4 | M1 R143 M345 I361 A405 V418 | M1-L416 HydrophobicContact CE-CB 3.91Å; M1-L416 HydrophobicContact SD-CB 4.29Å; R143-L416 PolarHBondContact NH1-O 3.21Å; R143-L416 PolarHBondContact NH2-O 3.37Å; M345-L416 HydrophobicContact CE-CD1 4.37Å; I361-L416 WeakPolarHBondContact O-CA 3.49Å; A405-L416 HydrophobicContact CB-CD1 4.18Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.4Å; L416-V418 HydrophobicContact CD1-CG1 4.13Å; L416-V418 HydrophobicContact CD2-CG1 3.94Å; L416-V418 HydrophobicContact CG-CG1 3.97Å |
| 417 | R | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 0% | 0.004 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.4 | 165.3 | -61.7 | -169.6 | -176 | -158.4 | -7.2 | 111.6 | E77 R246 M248 V360 I361 F362 S363 E415 | E77-R417 IonicContact OE1-NH2 3.35Å; E77-R417 IonicContact OE2-CZ 3.57Å; E77-R417 IonicContact OE2-NH2 2.68Å; E77-R417 PolarHBondContact OE2-NH2 2.91Å; R246-R417 VanDerWaalsContact C-NH1 3.34Å; R246-R417 WeakPolarHBondContact O-CD 3.44Å; R246-R417 PolarHBondContact O-NH1 3.38Å; M248-R417 VanDerWaalsContact O-CZ 3.23Å; M248-R417 PolarHBondContact O-NH1 3.1Å; M248-R417 PolarHBondContact O-NH2 3.09Å; V360-R417 VanDerWaalsContact CG1-CD 3.44Å; V360-R417 HydrophobicContact CG1-CG 3.91Å; I361-R417 PolarHBondContact O-N 3.01Å; F362-R417 WeakPolarHBondContact CA-O 3.34Å; F362-R417 HydrophobicContact CD1-CB 4.41Å; F362-R417 HydrophobicContact CD2-CB 4.26Å; F362-R417 HydrophobicContact CE1-CB 4.46Å; F362-R417 HydrophobicContact CE2-CB 4.3Å; F362-R417 HydrophobicContact CG-CB 4.34Å; F362-R417 HydrophobicContact CZ-CB 4.43Å; S363-R417 PolarHBondContact N-O 3.38Å; E415-R417 IonicContact OE1-CZ 2.67Å; E415-R417 IonicContact OE1-NE 3.81Å; E415-R417 PolarHBondContact OE1-NE 2.97Å; E415-R417 IonicContact OE1-NH2 3.23Å; E415-R417 PolarHBondContact OE1-NH2 2.9Å |
| 418 | V | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.012 | 3% | 0.029 | C | C | . | . | trans | -125 | 92.9 | -174 | -76.1 | 0 | 0 | 0 | 0 | 110.2 | V142 E365 L416 F420 L421 | V142-V418 HydrophobicContact CG1-CG2 3.87Å; V142-V418 HydrophobicContact CG2-CG2 4.08Å; E365-V418 HydrophobicContact CB-CG1 3.99Å; L416-V418 HydrophobicContact CD1-CG1 4.13Å; L416-V418 HydrophobicContact CD2-CG1 3.94Å; L416-V418 HydrophobicContact CG-CG1 3.97Å; V418-F420 VanDerWaalsContact C-N 3.32Å; V418-F420 PolarHBondContact O-N 2.93Å; V418-L421 HydrophobicContact CG2-CB 4.28Å; V418-L421 HydrophobicContact CG2-CD1 3.96Å; V418-L421 HydrophobicContact CG2-CG 4.39Å; V418-L421 PolarHBondContact O-N 2.8Å | ||
| 419 | P | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -70.1 | -21.8 | -173.5 | 27.9 | -35.2 | 0 | 0 | 0 | 114.3 | F239 A242 V243 V266 F362 S363 L421 D422 | F239-P419 HydrophobicContact CE2-CB 4.46Å; F239-P419 HydrophobicContact CE2-CG 4.41Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; A242-P419 HydrophobicContact CB-CB 4.1Å; V243-P419 HydrophobicContact CG2-CB 3.82Å; V243-P419 HydrophobicContact CG2-CG 4.02Å; V266-P419 HydrophobicContact CG1-CG 4.11Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; F362-P419 HydrophobicContact CD1-CG 4.48Å; S363-P419 WeakPolarHBondContact O-CD 3.34Å; P419-L421 PolarHBondContact O-N 3.05Å; P419-D422 WeakPolarHBondContact O-CB 3.24Å; P419-D422 PolarHBondContact O-N 3.07Å; P419-D422 VanDerWaalsContact O-N 3.14Å |
| 420 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -64.8 | -24.5 | 174.8 | -80.7 | -80.4 | 0 | 0 | 0 | 113.2 | F239 D262 V266 S367 V418 D422 F425 L448 | F239-F420 HydrophobicContact CD2-CE1 4.36Å; F239-F420 AromaticContact CE2-CD1 3.91Å; F239-F420 HydrophobicContact CE2-CD1 3.91Å; F239-F420 AromaticContact CE2-CD2 3.92Å; F239-F420 HydrophobicContact CE2-CD2 3.92Å; F239-F420 AromaticContact CE2-CE1 3.7Å; F239-F420 HydrophobicContact CE2-CE1 3.7Å; F239-F420 AromaticContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CE2 3.74Å; F239-F420 HydrophobicContact CE2-CG 4.01Å; F239-F420 AromaticContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CE2-CZ 3.61Å; F239-F420 HydrophobicContact CZ-CD2 4.3Å; F239-F420 HydrophobicContact CZ-CE1 4.29Å; F239-F420 AromaticContact CZ-CE2 3.76Å; F239-F420 HydrophobicContact CZ-CE2 3.76Å; F239-F420 AromaticContact CZ-CZ 3.75Å; F239-F420 HydrophobicContact CZ-CZ 3.75Å; D262-F420 HydrophobicContact CB-CE2 3.86Å; D262-F420 HydrophobicContact CB-CZ 4.21Å; V266-F420 HydrophobicContact CG2-CD2 4.05Å; V266-F420 HydrophobicContact CG2-CE2 3.7Å; S367-F420 VanDerWaalsContact OG-CE1 3.23Å; S367-F420 WeakPolarHBondContact OG-CE1 3.43Å; S367-F420 WeakPolarHBondContact OG-CZ 3.36Å; V418-F420 VanDerWaalsContact C-N 3.32Å; V418-F420 PolarHBondContact O-N 2.93Å; F420-D422 VanDerWaalsContact C-N 3.29Å; F420-F425 AromaticContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CZ 4.19Å; F420-F425 HydrophobicContact CE1-CE1 4.26Å; F420-F425 HydrophobicContact CE1-CZ 4.32Å; F420-L448 HydrophobicContact CE1-CD1 4.15Å; F420-L448 HydrophobicContact CE1-CD2 3.91Å; F420-L448 HydrophobicContact CZ-CD2 4.16Å |
| 421 | L | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 2% | 0.016 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -92.9 | 17.2 | 176.1 | -60.4 | -178.6 | 0 | 0 | 0 | 112.8 | Y140 V142 L394 L397 V402 V418 P419 H423 | Y140-L421 HydrophobicContact CD1-CD2 4.43Å; Y140-L421 HydrophobicContact CD2-CB 3.89Å; Y140-L421 HydrophobicContact CD2-CD2 4.27Å; Y140-L421 HydrophobicContact CE2-CB 4.36Å; Y140-L421 WeakPolarHBondContact CE2-O 3.48Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.2Å; V142-L421 HydrophobicContact CG2-CD1 3.9Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.65Å; L397-L421 HydrophobicContact CD1-CG 4.44Å; V402-L421 HydrophobicContact CG2-CD1 3.77Å; V418-L421 HydrophobicContact CG2-CB 4.28Å; V418-L421 HydrophobicContact CG2-CD1 3.96Å; V418-L421 HydrophobicContact CG2-CG 4.39Å; V418-L421 PolarHBondContact O-N 2.8Å; P419-L421 PolarHBondContact O-N 3.05Å; L421-H423 PolarHBondContact O-N 3.11Å |
| 422 | D | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | trans | -64.3 | 127.9 | 172.2 | -177.5 | -95 | 0 | 0 | 0 | 111.7 | A242 K245 R246 P419 F420 R424 F425 S426 | A242-D422 HydrophobicContact CB-CB 3.46Å; A242-D422 VanDerWaalsContact CB-CB 3.46Å; K245-D422 WeakPolarHBondContact CD-OD2 3.48Å; K245-D422 WeakPolarHBondContact CE-OD2 3.44Å; K245-D422 VanDerWaalsContact NZ-CG 3.29Å; K245-D422 IonicContact NZ-OD1 2.76Å; K245-D422 PolarHBondContact NZ-OD1 2.91Å; K245-D422 VanDerWaalsContact NZ-OD1 3.13Å; K245-D422 IonicContact NZ-OD2 3.54Å; K245-D422 PolarHBondContact NZ-OD2 3.17Å; R246-D422 IonicContact CZ-OD2 3.81Å; R246-D422 IonicContact NH1-OD2 2.74Å; R246-D422 PolarHBondContact NH1-OD2 2.61Å; R246-D422 VanDerWaalsContact NH2-CA 3.29Å; R246-D422 IonicContact NH2-OD2 2.82Å; R246-D422 PolarHBondContact NH2-OD2 2.74Å; P419-D422 WeakPolarHBondContact O-CB 3.24Å; P419-D422 PolarHBondContact O-N 3.07Å; P419-D422 VanDerWaalsContact O-N 3.14Å; F420-D422 VanDerWaalsContact C-N 3.29Å; D422-R424 PolarHBondContact O-N 2.94Å; D422-R424 VanDerWaalsContact O-N 3.12Å; D422-R424 PolarHBondContact OD1-N 3.12Å; D422-R424 VanDerWaalsContact OD1-N 3.1Å; D422-F425 HydrophobicContact CB-CB 4Å; D422-F425 PolarHBondContact O-N 3.37Å; D422-F425 VanDerWaalsContact O-N 3.1Å; D422-F425 PolarHBondContact OD1-N 2.94Å; D422-S426 WeakPolarHBondContact O-CB 3.45Å; D422-S426 PolarHBondContact O-N 3.35Å; D422-S426 PolarHBondContact O-OG 3.5Å | ||
| 423 | H | 96.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 9 Ų | 9 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -53.5 | -40.1 | -173.3 | -60 | 165.9 | 0 | 0 | 0 | 112.8 | D118 G119 P211 H213 L421 S426 S427 | D118-H423 IonicContact OD1-ND1 3.57Å; G119-H423 PolarHBondContact O-CE1 2.73Å; P211-H423 HydrophobicContact CB-CB 4.12Å; P211-H423 HydrophobicContact CG-CB 3.86Å; H213-H423 AromaticContact NE2-CG 3.87Å; H213-H423 AromaticContact NE2-ND1 3.38Å; H213-H423 PolarHBondContact NE2-ND1 3.49Å; L421-H423 PolarHBondContact O-N 3.11Å; H423-S426 PolarHBondContact O-OG 2.76Å; H423-S427 WeakPolarHBondContact O-CB 3.17Å; H423-S427 PolarHBondContact O-N 3.04Å; H423-S427 VanDerWaalsContact O-N 3.12Å; H423-S427 PolarHBondContact O-OG 3.01Å |
| 424 | R | 94.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 10 Ų | 10 | 13% | 0.125 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -76.5 | -41.8 | -179.3 | -74.1 | -177.4 | 141 | -147.7 | -10.2 | 112.1 | P211 A214 D217 L238 D422 Y428 | P211-R424 HydrophobicContact CG-CG 4.28Å; A214-R424 VanDerWaalsContact CA-NH2 3.33Å; A214-R424 PolarHBondContact O-NH2 2.75Å; D217-R424 VanDerWaalsContact CB-NH1 3.29Å; D217-R424 PolarHBondContact O-NH2 2.79Å; D217-R424 IonicContact OD1-NH1 2.82Å; D217-R424 IonicContact OD2-CZ 3.16Å; D217-R424 VanDerWaalsContact OD2-CZ 3.25Å; D217-R424 IonicContact OD2-NE 3.23Å; D217-R424 IonicContact OD2-NH1 2.72Å; D217-R424 PolarHBondContact OD2-NH1 2.98Å; L238-R424 HydrophobicContact CD2-CB 4.1Å; D422-R424 PolarHBondContact O-N 2.94Å; D422-R424 VanDerWaalsContact O-N 3.12Å; D422-R424 PolarHBondContact OD1-N 3.12Å; D422-R424 VanDerWaalsContact OD1-N 3.1Å; R424-Y428 WeakPolarHBondContact O-CB 3.4Å; R424-Y428 PolarHBondContact O-N 3.27Å; R424-Y428 VanDerWaalsContact O-N 3.14Å |
| 425 | F | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64 | -48.8 | 177.6 | 176.7 | -98.9 | 0 | 0 | 0 | 111.8 | L235 L238 F239 L370 F420 D422 Y428 Y429 | L235-F425 HydrophobicContact CD2-CD2 4.46Å; L235-F425 HydrophobicContact CD2-CE2 3.89Å; L235-F425 HydrophobicContact CD2-CZ 4.47Å; L238-F425 HydrophobicContact CB-CB 4.26Å; L238-F425 HydrophobicContact CB-CD2 3.94Å; F239-F425 HydrophobicContact CB-CD2 3.93Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CD2 4.21Å; F239-F425 HydrophobicContact CD2-CE1 4.26Å; F239-F425 AromaticContact CD2-CE2 3.91Å; F239-F425 HydrophobicContact CD2-CE2 3.91Å; F239-F425 AromaticContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CD2-CZ 3.94Å; F239-F425 HydrophobicContact CG-CE2 4.28Å; L370-F425 HydrophobicContact CD2-CD1 3.88Å; L370-F425 HydrophobicContact CD2-CE1 3.53Å; F420-F425 AromaticContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CE1 3.69Å; F420-F425 HydrophobicContact CD1-CZ 4.19Å; F420-F425 HydrophobicContact CE1-CE1 4.26Å; F420-F425 HydrophobicContact CE1-CZ 4.32Å; D422-F425 HydrophobicContact CB-CB 4Å; D422-F425 PolarHBondContact O-N 3.37Å; D422-F425 VanDerWaalsContact O-N 3.1Å; D422-F425 PolarHBondContact OD1-N 2.94Å; F425-Y428 PolarHBondContact O-N 2.92Å; F425-Y429 HydrophobicContact CZ-CD2 4.46Å; F425-Y429 PolarHBondContact O-N 3.04Å |
| 426 | S | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69 | -44.5 | -177.5 | 62 | 0 | 0 | 0 | 0 | 112.1 | Y140 D422 H423 Y428 Y429 L430 | Y140-S426 VanDerWaalsContact OH-CB 3.28Å; Y140-S426 WeakPolarHBondContact OH-CB 3.49Å; Y140-S426 PolarHBondContact OH-OG 2.92Å; D422-S426 WeakPolarHBondContact O-CB 3.45Å; D422-S426 PolarHBondContact O-N 3.35Å; D422-S426 PolarHBondContact O-OG 3.5Å; H423-S426 PolarHBondContact O-OG 2.76Å; S426-Y428 VanDerWaalsContact C-N 3.32Å; S426-Y428 PolarHBondContact O-N 3.24Å; S426-Y429 PolarHBondContact O-N 2.91Å; S426-L430 WeakPolarHBondContact O-CB 3.18Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.13Å; S426-L430 PolarHBondContact O-N 2.78Å |
| 427 | S | 95.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | C207 D209 H423 L430 S431 | C207-S427 PolarHBondContact O-OG 3.48Å; D209-S427 PolarHBondContact O-OG 3.14Å; H423-S427 WeakPolarHBondContact O-CB 3.17Å; H423-S427 PolarHBondContact O-N 3.04Å; H423-S427 VanDerWaalsContact O-N 3.12Å; H423-S427 PolarHBondContact O-OG 3.01Å; S427-L430 PolarHBondContact O-N 3.48Å; S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 3.44Å |
| 428 | Y | 95.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 17.6 Ų | 17.6 | 11% | 0.106 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 176 | -177.2 | -100.5 | 0 | 0 | 0 | 111.8 | L222 N234 L235 L238 R424 F425 S426 L430 S431 L432 | L222-Y428 HydrophobicContact CD1-CD2 4.04Å; L222-Y428 HydrophobicContact CD1-CE2 4.42Å; N234-Y428 HydrophobicContact CB-CD1 4.39Å; N234-Y428 HydrophobicContact CB-CE1 3.57Å; N234-Y428 HydrophobicContact CB-CE2 4.23Å; N234-Y428 VanDerWaalsContact CB-CZ 3.49Å; N234-Y428 WeakPolarHBondContact CB-OH 3.46Å; N234-Y428 PolarHBondContact ND2-OH 3.25Å; L235-Y428 HydrophobicContact CD2-CD1 3.75Å; L235-Y428 HydrophobicContact CD2-CE1 4.05Å; L235-Y428 HydrophobicContact CG-CD1 4.31Å; L235-Y428 HydrophobicContact CG-CE1 4.11Å; L238-Y428 HydrophobicContact CD1-CD1 3.66Å; L238-Y428 HydrophobicContact CD1-CD2 4.23Å; L238-Y428 HydrophobicContact CD1-CG 3.47Å; L238-Y428 VanDerWaalsContact CD1-CG 3.47Å; R424-Y428 WeakPolarHBondContact O-CB 3.4Å; R424-Y428 PolarHBondContact O-N 3.27Å; R424-Y428 VanDerWaalsContact O-N 3.14Å; F425-Y428 PolarHBondContact O-N 2.92Å; S426-Y428 VanDerWaalsContact C-N 3.32Å; S426-Y428 PolarHBondContact O-N 3.24Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 3.11Å; Y428-S431 WeakPolarHBondContact O-CB 3.38Å; Y428-S431 PolarHBondContact O-N 2.9Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.84Å; Y428-L432 HydrophobicContact CE1-CD2 4.09Å; Y428-L432 PolarHBondContact O-N 2.94Å |
| 429 | Y | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 178 | -160.8 | -79.3 | 0 | 0 | 0 | 111.5 | L235 L370 T371 F425 S426 S431 L432 R437 L447 | L235-Y429 HydrophobicContact CD1-CD2 4.21Å; L235-Y429 HydrophobicContact CD1-CE2 4.19Å; L235-Y429 HydrophobicContact CD2-CD2 3.63Å; L235-Y429 HydrophobicContact CD2-CE2 4.4Å; L235-Y429 HydrophobicContact CD2-CG 4.48Å; L370-Y429 HydrophobicContact CD1-CD1 4.2Å; L370-Y429 HydrophobicContact CD1-CG 4.44Å; L370-Y429 HydrophobicContact CD2-CG 4.35Å; L370-Y429 HydrophobicContact CG-CD1 3.94Å; L370-Y429 HydrophobicContact CG-CG 4.12Å; L370-Y429 WeakPolarHBondContact O-CD1 3.47Å; L370-Y429 WeakPolarHBondContact O-CE1 3.38Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.41Å; T371-Y429 HydrophobicContact CG2-CE1 3.82Å; T371-Y429 HydrophobicContact CG2-CE2 3.82Å; T371-Y429 VanDerWaalsContact CG2-CZ 3.5Å; F425-Y429 HydrophobicContact CZ-CD2 4.46Å; F425-Y429 PolarHBondContact O-N 3.04Å; S426-Y429 PolarHBondContact O-N 2.91Å; Y429-S431 PolarHBondContact O-N 2.86Å; Y429-L432 HydrophobicContact CD2-CD1 4.43Å; Y429-L432 HydrophobicContact CG-CD1 4.47Å; Y429-L432 WeakPolarHBondContact O-CB 3.24Å; Y429-L432 WeakPolarHBondContact O-CG 3.28Å; Y429-L432 PolarHBondContact O-N 2.87Å; Y429-R437 VanDerWaalsContact CD1-CD 3.43Å; Y429-R437 HydrophobicContact CD1-CG 4.13Å; Y429-R437 HydrophobicContact CE1-CB 4.2Å; Y429-R437 HydrophobicContact CE1-CG 3.56Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.22Å; Y429-L447 HydrophobicContact CE2-CD2 4.28Å |
| 430 | L | 96.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -20.6 | 177.2 | -68.9 | 170.5 | 0 | 0 | 0 | 113.6 | C207 R208 L370 L394 S426 S427 Y428 L432 | C207-L430 HydrophobicContact CB-CD1 3.94Å; C207-L430 VanDerWaalsContact O-CD1 3.29Å; C207-L430 WeakPolarHBondContact O-CD1 3.23Å; R208-L430 HydrophobicContact CG-CB 4.36Å; L370-L430 HydrophobicContact CD1-CD1 4.14Å; L370-L430 HydrophobicContact CD1-CD2 3.85Å; L370-L430 HydrophobicContact CD1-CG 3.64Å; L394-L430 HydrophobicContact CD1-CD1 3.79Å; L394-L430 HydrophobicContact CD1-CD2 3.98Å; L394-L430 HydrophobicContact CD1-CG 4.4Å; S426-L430 WeakPolarHBondContact O-CB 3.18Å; S426-L430 VanDerWaalsContact O-CG 3.28Å; S426-L430 WeakPolarHBondContact O-CG 3.13Å; S426-L430 PolarHBondContact O-N 2.78Å; S427-L430 PolarHBondContact O-N 3.48Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 3.11Å; L430-L432 VanDerWaalsContact C-N 3.3Å |
| 431 | S | 94.7 | Very high | 95.7 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 40% | 0.399 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -78.1 | -13.5 | 175.3 | 78.1 | 0 | 0 | 0 | 0 | 113.9 | S427 Y428 Y429 | S427-S431 WeakPolarHBondContact O-CB 3.31Å; S427-S431 PolarHBondContact O-N 3.44Å; Y428-S431 WeakPolarHBondContact O-CB 3.38Å; Y428-S431 PolarHBondContact O-N 2.9Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.84Å; Y429-S431 PolarHBondContact O-N 2.86Å |
| 432 | L | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -67.9 | 145.7 | 180 | -59.4 | 177.8 | 0 | 0 | 0 | 111.2 | F226 V231 Y428 Y429 L430 R437 L447 | F226-L432 HydrophobicContact CD1-CD2 3.68Å; F226-L432 HydrophobicContact CE1-CD2 3.83Å; V231-L432 HydrophobicContact CB-CD2 4.45Å; V231-L432 HydrophobicContact CG1-CD1 3.8Å; V231-L432 HydrophobicContact CG1-CD2 3.74Å; V231-L432 HydrophobicContact CG1-CG 4.45Å; V231-L432 HydrophobicContact CG2-CD2 3.84Å; Y428-L432 HydrophobicContact CE1-CD2 4.09Å; Y428-L432 PolarHBondContact O-N 2.94Å; Y429-L432 HydrophobicContact CD2-CD1 4.43Å; Y429-L432 HydrophobicContact CG-CD1 4.47Å; Y429-L432 WeakPolarHBondContact O-CB 3.24Å; Y429-L432 WeakPolarHBondContact O-CG 3.28Å; Y429-L432 PolarHBondContact O-N 2.87Å; L430-L432 VanDerWaalsContact C-N 3.3Å; L432-R437 HydrophobicContact CB-CG 4.27Å; L432-R437 HydrophobicContact CD1-CG 4.49Å; L432-L447 HydrophobicContact CD1-CD2 3.53Å |
| 433 | P | 96.7 | Very high | 95 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | trans | -47.8 | 131.6 | 171 | -26.5 | 33 | 0 | 0 | 0 | 111.3 | F226 E435 M436 | F226-P433 HydrophobicContact CB-CG 4.36Å; F226-P433 HydrophobicContact CD2-CG 4.19Å; F226-P433 HydrophobicContact CG-CG 4.19Å; P433-E435 WeakPolarHBondContact CB-OE2 3.24Å; P433-E435 PolarHBondContact O-N 2.84Å; P433-E435 VanDerWaalsContact O-N 3.07Å; P433-M436 HydrophobicContact CB-CG 4.17Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.01Å; P433-M436 WeakPolarHBondContact O-CB 3.28Å; P433-M436 PolarHBondContact O-N 2.89Å | ||
| 434 | P | 96.6 | Very high | 95 | Very high | 23 Ų | 23 | 34 Ų | 34 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.7 | -36.1 | -174.2 | -29.9 | 36.6 | 0 | 0 | 0 | 113.8 | P383 M436 R437 T438 | P383-P434 HydrophobicContact CB-CB 3.56Å; P434-M436 PolarHBondContact O-N 3.12Å; P434-R437 PolarHBondContact O-N 2.76Å; P434-T438 PolarHBondContact O-N 2.89Å |
| 435 | E | 96.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 32.6 Ų | 32.6 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68 | -18.4 | -179.6 | -49.8 | 83 | 172.8 | 0 | 0 | 113.7 | P383 P433 R437 T438 K440 | P383-E435 HydrophobicContact CB-CG 4.25Å; P383-E435 HydrophobicContact CG-CG 3.98Å; P433-E435 WeakPolarHBondContact CB-OE2 3.24Å; P433-E435 PolarHBondContact O-N 2.84Å; P433-E435 VanDerWaalsContact O-N 3.07Å; E435-R437 VanDerWaalsContact C-N 3.34Å; E435-T438 PolarHBondContact O-OG1 2.87Å; E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.42Å; E435-K440 PolarHBondContact O-NZ 2.82Å |
| 436 | M | 97.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 16% | 0.163 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79 | -22.2 | 173.3 | -64 | -171.6 | 73.1 | 0 | 0 | 112 | F226 I228 V231 P433 P434 | F226-M436 HydrophobicContact CB-SD 4.24Å; I228-M436 HydrophobicContact CD1-CE 3.96Å; V231-M436 HydrophobicContact CB-CE 4.26Å; V231-M436 HydrophobicContact CG1-CE 4.34Å; V231-M436 HydrophobicContact CG2-CE 3.9Å; P433-M436 HydrophobicContact CB-CG 4.17Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.01Å; P433-M436 WeakPolarHBondContact O-CB 3.28Å; P433-M436 PolarHBondContact O-N 2.89Å; P434-M436 PolarHBondContact O-N 3.12Å |
| 437 | R | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -96.4 | -21.9 | -175.6 | -65.1 | -169.5 | -77.6 | 143.1 | -3.8 | 113.9 | E387 Y429 L432 P434 E435 | E387-R437 IonicContact OE1-CZ 2.99Å; E387-R437 IonicContact OE1-NH2 2.71Å; E387-R437 PolarHBondContact OE1-NH2 2.87Å; Y429-R437 VanDerWaalsContact CD1-CD 3.43Å; Y429-R437 HydrophobicContact CD1-CG 4.13Å; Y429-R437 HydrophobicContact CE1-CB 4.2Å; Y429-R437 HydrophobicContact CE1-CG 3.56Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.22Å; L432-R437 HydrophobicContact CB-CG 4.27Å; L432-R437 HydrophobicContact CD1-CG 4.49Å; P434-R437 PolarHBondContact O-N 2.76Å; E435-R437 VanDerWaalsContact C-N 3.34Å |
| 438 | T | 94.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -61.8 | 149.6 | -179.6 | 53.9 | 0 | 0 | 0 | 0 | 112 | P383 P434 E435 K440 | P383-T438 HydrophobicContact CB-CG2 3.89Å; P383-T438 HydrophobicContact CG-CG2 4.14Å; P434-T438 PolarHBondContact O-N 2.89Å; E435-T438 PolarHBondContact O-OG1 2.87Å; T438-K440 PolarHBondContact O-N 3.01Å |
| 439 | P | 93.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | trans | -53.6 | 135.9 | 171.6 | -25.4 | 34.2 | 0 | 0 | 0 | 111.7 | F377 H378 | F377-P439 HydrophobicContact CB-CG 4.23Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.41Å; H378-P439 WeakPolarHBondContact ND1-CB 3.4Å | ||
| 440 | K | 91.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -126.9 | 150.5 | 179 | -75.1 | -178.3 | -178.3 | 173.5 | 0 | 110 | E435 T438 G442 I443 H446 | E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.42Å; E435-K440 PolarHBondContact O-NZ 2.82Å; T438-K440 PolarHBondContact O-N 3.01Å; K440-G442 PolarHBondContact O-N 3.37Å; K440-G442 VanDerWaalsContact O-N 3.1Å; K440-I443 PolarHBondContact N-O 3.34Å; K440-I443 VanDerWaalsContact O-CG2 3.24Å; K440-I443 WeakPolarHBondContact O-CG2 3.49Å; K440-I443 PolarHBondContact O-N 3.21Å; K440-I443 VanDerWaalsContact O-O 3.08Å; K440-H446 HydrophobicContact CB-CB 4.05Å; K440-H446 PolarHBondContact O-CD2 3.26Å |
| 441 | N | 89.8 | Confident | 95.6 | Very high | 146 Ų | 146 | 34.8 Ų | 34.8 | 78% | 0.781 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.8 | 177 | -57.7 | -33.2 | 0 | 0 | 0 | 114.3 | I443 H446 | N441-I443 PolarHBondContact O-N 3.39Å; N441-H446 PolarHBondContact ND2-NE2 2.65Å; N441-H446 VanDerWaalsContact ND2-NE2 3.14Å |
| 442 | G | 88.1 | Confident | 95.8 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 72% | 0.722 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K440 | K440-G442 PolarHBondContact O-N 3.37Å; K440-G442 VanDerWaalsContact O-N 3.1Å |
| 443 | I | 93.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -125.4 | 131.4 | 178.2 | -169.7 | 150.6 | 0 | 0 | 0 | 111.5 | K440 N441 H446 W464 | K440-I443 PolarHBondContact N-O 3.34Å; K440-I443 VanDerWaalsContact O-CG2 3.24Å; K440-I443 WeakPolarHBondContact O-CG2 3.49Å; K440-I443 PolarHBondContact O-N 3.21Å; K440-I443 VanDerWaalsContact O-O 3.08Å; N441-I443 PolarHBondContact O-N 3.39Å; I443-H446 HydrophobicContact CG2-CB 4.44Å; I443-W464 HydrophobicContact CD1-CE3 3.9Å; I443-W464 WeakPolarHBondContact CD1-O 3.43Å; I443-W464 HydrophobicContact CG2-CE3 4.36Å; I443-W464 HydrophobicContact CG2-CZ3 4.08Å |
| 444 | E | 96.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 156.9 | 173.2 | 72.9 | -64.9 | 156 | 0 | 0 | 111.7 | G373 H378 H446 R449 K467 | G373-E444 WeakPolarHBondContact O-CG 3.31Å; H378-E444 IonicContact NE2-OE2 2.71Å; E444-H446 PolarHBondContact O-N 3.06Å; E444-H446 VanDerWaalsContact O-N 3.17Å; E444-R449 PolarHBondContact O-NE 2.85Å; E444-R449 IonicContact OE1-CZ 3.77Å; E444-R449 IonicContact OE1-NH2 2.65Å; E444-R449 PolarHBondContact OE1-NH2 3.3Å; E444-K467 HydrophobicContact CG-CB 3.94Å; E444-K467 WeakPolarHBondContact OE1-CB 3.44Å; E444-K467 PolarHBondContact OE1-N 3.07Å |
| 445 | K | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.1 | 178.1 | -47.3 | -179.7 | 179.3 | 172.8 | 0 | 113.9 | L261 D262 D368 T371 L447 L448 R449 | L261-K445 HydrophobicContact CD2-CB 4.09Å; L261-K445 HydrophobicContact CD2-CD 3.88Å; D262-K445 IonicContact OD1-NZ 3.22Å; D262-K445 PolarHBondContact OD1-NZ 2.78Å; D262-K445 IonicContact OD2-NZ 3.13Å; D262-K445 PolarHBondContact OD2-NZ 3.18Å; D368-K445 VanDerWaalsContact CG-NZ 3.31Å; D368-K445 WeakPolarHBondContact OD1-CE 3.39Å; D368-K445 IonicContact OD1-NZ 3.19Å; D368-K445 PolarHBondContact OD1-NZ 3.06Å; D368-K445 IonicContact OD2-NZ 3.91Å; T371-K445 WeakPolarHBondContact OG1-CD 3.37Å; T371-K445 VanDerWaalsContact OG1-CG 3.31Å; T371-K445 WeakPolarHBondContact OG1-CG 3.41Å; K445-L447 VanDerWaalsContact C-N 3.31Å; K445-L447 PolarHBondContact O-N 3.07Å; K445-L448 HydrophobicContact CB-CB 4.16Å; K445-L448 HydrophobicContact CB-CD2 4.49Å; K445-L448 HydrophobicContact CD-CD2 4.35Å; K445-L448 WeakPolarHBondContact O-CB 3.47Å; K445-L448 PolarHBondContact O-N 3.06Å; K445-R449 WeakPolarHBondContact O-CG 3.14Å; K445-R449 PolarHBondContact O-N 3.37Å |
| 446 | H | 97.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.3 | -47.3 | -175.1 | -168.8 | -78.2 | 0 | 0 | 0 | 112.5 | K440 N441 I443 E444 L448 R449 E450 | K440-H446 HydrophobicContact CB-CB 4.05Å; K440-H446 PolarHBondContact O-CD2 3.26Å; N441-H446 PolarHBondContact ND2-NE2 2.65Å; N441-H446 VanDerWaalsContact ND2-NE2 3.14Å; I443-H446 HydrophobicContact CG2-CB 4.44Å; E444-H446 PolarHBondContact O-N 3.06Å; E444-H446 VanDerWaalsContact O-N 3.17Å; H446-L448 VanDerWaalsContact C-N 3.32Å; H446-L448 PolarHBondContact O-N 2.93Å; H446-R449 PolarHBondContact O-N 2.71Å; H446-R449 VanDerWaalsContact O-N 3.13Å; H446-E450 IonicContact CE1-OE1 3.4Å; H446-E450 PolarHBondContact CE1-OE1 3.26Å; H446-E450 IonicContact CE1-OE2 3.3Å; H446-E450 VanDerWaalsContact ND1-CD 3.25Å; H446-E450 IonicContact ND1-OE1 3.71Å; H446-E450 IonicContact ND1-OE2 3.59Å; H446-E450 PolarHBondContact ND1-OE2 2.91Å; H446-E450 PolarHBondContact O-N 2.93Å |
| 447 | L | 98.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 177.7 | 178.6 | 62.1 | 0 | 0 | 0 | 112.5 | I228 V231 K232 L235 Y429 L432 K445 T451 | I228-L447 HydrophobicContact CD1-CD1 3.57Å; V231-L447 HydrophobicContact CG1-CD1 4.18Å; V231-L447 HydrophobicContact CG1-CD2 4.1Å; K232-L447 HydrophobicContact CG-CD1 4.42Å; L235-L447 HydrophobicContact CD1-CD2 4.05Å; L235-L447 HydrophobicContact CD1-CG 4.05Å; Y429-L447 HydrophobicContact CE2-CD2 4.28Å; L432-L447 HydrophobicContact CD1-CD2 3.53Å; K445-L447 VanDerWaalsContact C-N 3.31Å; K445-L447 PolarHBondContact O-N 3.07Å; L447-T451 VanDerWaalsContact O-CB 3.31Å; L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 3.28Å; L447-T451 PolarHBondContact O-OG1 3Å |
| 448 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.9 | -174.1 | 67.4 | 0 | 0 | 0 | 111 | L261 L265 T371 F420 K445 H446 T451 F452 | L261-L448 HydrophobicContact CD2-CD2 4.04Å; L265-L448 HydrophobicContact CD1-CD1 4.26Å; L265-L448 HydrophobicContact CD1-CD2 4.01Å; L265-L448 HydrophobicContact CD1-CG 3.89Å; T371-L448 HydrophobicContact CG2-CD2 4.39Å; F420-L448 HydrophobicContact CE1-CD1 4.15Å; F420-L448 HydrophobicContact CE1-CD2 3.91Å; F420-L448 HydrophobicContact CZ-CD2 4.16Å; K445-L448 HydrophobicContact CB-CB 4.16Å; K445-L448 HydrophobicContact CB-CD2 4.49Å; K445-L448 HydrophobicContact CD-CD2 4.35Å; K445-L448 WeakPolarHBondContact O-CB 3.47Å; K445-L448 PolarHBondContact O-N 3.06Å; H446-L448 VanDerWaalsContact C-N 3.32Å; H446-L448 PolarHBondContact O-N 2.93Å; L448-T451 WeakPolarHBondContact O-CB 3.21Å; L448-T451 PolarHBondContact O-N 3.49Å; L448-F452 HydrophobicContact CD1-CD2 4.27Å; L448-F452 HydrophobicContact CD1-CE2 3.79Å; L448-F452 WeakPolarHBondContact O-CD2 3.19Å |
| 449 | R | 98.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -49.8 | 177.9 | -61.6 | 172.2 | -172.7 | -89.9 | 8.4 | 111.2 | L261 E444 K445 H446 T451 F452 E453 L463 W464 R465 | L261-R449 HydrophobicContact CD1-CG 4.26Å; L261-R449 HydrophobicContact CD2-CG 3.63Å; E444-R449 PolarHBondContact O-NE 2.85Å; E444-R449 IonicContact OE1-CZ 3.77Å; E444-R449 IonicContact OE1-NH2 2.65Å; E444-R449 PolarHBondContact OE1-NH2 3.3Å; K445-R449 WeakPolarHBondContact O-CG 3.14Å; K445-R449 PolarHBondContact O-N 3.37Å; H446-R449 PolarHBondContact O-N 2.71Å; H446-R449 VanDerWaalsContact O-N 3.13Å; R449-T451 VanDerWaalsContact C-N 3.27Å; R449-T451 PolarHBondContact O-N 3Å; R449-F452 PolarHBondContact O-N 3.18Å; R449-F452 VanDerWaalsContact O-N 3.16Å; R449-E453 PolarHBondContact O-N 2.95Å; R449-E453 VanDerWaalsContact O-N 3.09Å; R449-L463 HydrophobicContact CB-CD1 4.37Å; R449-L463 HydrophobicContact CB-CG 4.43Å; R449-L463 WeakPolarHBondContact CD-O 3.21Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.44Å; R449-L463 PolarHBondContact NH1-O 2.84Å; R449-W464 HydrophobicContact CB-CD2 4.42Å; R449-W464 HydrophobicContact CB-CE3 4.05Å; R449-W464 HydrophobicContact CB-CH2 3.9Å; R449-W464 HydrophobicContact CB-CZ2 4.26Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.4Å; R449-W464 HydrophobicContact CG-CZ3 4.42Å; R449-R465 VanDerWaalsContact CZ-O 3.3Å; R449-R465 PolarHBondContact NH1-O 3.23Å; R449-R465 PolarHBondContact NH2-O 3.22Å |
| 450 | E | 97.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 176.2 | -71.7 | -174.9 | 134.8 | 0 | 0 | 112.5 | K232 H446 F452 E453 W464 | K232-E450 HydrophobicContact CD-CB 4.05Å; H446-E450 IonicContact CE1-OE1 3.4Å; H446-E450 PolarHBondContact CE1-OE1 3.26Å; H446-E450 IonicContact CE1-OE2 3.3Å; H446-E450 VanDerWaalsContact ND1-CD 3.25Å; H446-E450 IonicContact ND1-OE1 3.71Å; H446-E450 IonicContact ND1-OE2 3.59Å; H446-E450 PolarHBondContact ND1-OE2 2.91Å; H446-E450 PolarHBondContact O-N 2.93Å; E450-F452 PolarHBondContact O-N 2.98Å; E450-E453 PolarHBondContact O-N 3.48Å; E450-W464 HydrophobicContact CG-CH2 4.02Å; E450-W464 HydrophobicContact CG-CZ2 4.5Å |
| 451 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -35.2 | 177.6 | -68.3 | 0 | 0 | 0 | 0 | 112 | L235 R236 L447 L448 R449 | L235-T451 HydrophobicContact CB-CG2 3.72Å; R236-T451 VanDerWaalsContact CD-O 3.3Å; R236-T451 WeakPolarHBondContact CD-O 3.24Å; R236-T451 HydrophobicContact CG-CG2 3.64Å; R236-T451 WeakPolarHBondContact CG-O 3.3Å; R236-T451 PolarHBondContact NH1-O 2.73Å; L447-T451 VanDerWaalsContact O-CB 3.31Å; L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 3.28Å; L447-T451 PolarHBondContact O-OG1 3Å; L448-T451 WeakPolarHBondContact O-CB 3.21Å; L448-T451 PolarHBondContact O-N 3.49Å; R449-T451 VanDerWaalsContact C-N 3.27Å; R449-T451 PolarHBondContact O-N 3Å |
| 452 | F | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -109.2 | 2.5 | -176.8 | -65.5 | -75.8 | 0 | 0 | 0 | 114.3 | R236 F239 L265 L448 R449 E450 E454 S455 L457 L463 | R236-F452 HydrophobicContact CG-CD1 4.34Å; R236-F452 HydrophobicContact CG-CE1 4.1Å; F239-F452 HydrophobicContact CB-CZ 4.06Å; F239-F452 HydrophobicContact CD1-CE1 4.29Å; F239-F452 HydrophobicContact CD1-CE2 4.49Å; F239-F452 AromaticContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CD1-CZ 3.66Å; F239-F452 HydrophobicContact CE1-CZ 4.38Å; F239-F452 HydrophobicContact CG-CZ 4.03Å; L265-F452 HydrophobicContact CD1-CD2 3.68Å; L265-F452 HydrophobicContact CD1-CE2 3.95Å; L265-F452 HydrophobicContact CD1-CG 4.5Å; L265-F452 HydrophobicContact CD2-CB 3.74Å; L265-F452 HydrophobicContact CD2-CD1 4.22Å; L265-F452 HydrophobicContact CD2-CD2 3.64Å; L265-F452 HydrophobicContact CD2-CE2 4.3Å; L265-F452 HydrophobicContact CD2-CG 3.6Å; L265-F452 HydrophobicContact CG-CD2 4.29Å; L448-F452 HydrophobicContact CD1-CD2 4.27Å; L448-F452 HydrophobicContact CD1-CE2 3.79Å; L448-F452 WeakPolarHBondContact O-CD2 3.19Å; R449-F452 PolarHBondContact O-N 3.18Å; R449-F452 VanDerWaalsContact O-N 3.16Å; E450-F452 PolarHBondContact O-N 2.98Å; F452-E454 PolarHBondContact O-N 2.78Å; F452-S455 WeakPolarHBondContact O-CB 3.5Å; F452-S455 PolarHBondContact O-N 2.83Å; F452-S455 PolarHBondContact O-OG 3.08Å; F452-L457 HydrophobicContact CD1-CD2 3.94Å; F452-L457 HydrophobicContact CE1-CD2 4.35Å; F452-L463 HydrophobicContact CB-CD1 4.35Å |
| 453 | E | 95.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.5 | -43.8 | -175 | -177.7 | 171.9 | -159.9 | 0 | 0 | 114.1 | R449 E450 S455 L463 | R449-E453 PolarHBondContact O-N 2.95Å; R449-E453 VanDerWaalsContact O-N 3.09Å; E450-E453 PolarHBondContact O-N 3.48Å; E453-S455 PolarHBondContact O-N 2.64Å; E453-L463 VanDerWaalsContact CA-CD2 3.46Å; E453-L463 HydrophobicContact CB-CD2 3.86Å; E453-L463 HydrophobicContact CG-CD2 4.11Å |
| 454 | E | 92.8 | Very high | 96.7 | Very high | 157 Ų | 157 | 42.2 Ų | 42.2 | 73% | 0.734 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.5 | -177.1 | -60.9 | -177.3 | 164.5 | 0 | 0 | 113.2 | F452 | F452-E454 PolarHBondContact O-N 2.78Š|
| 455 | S | 91.4 | Very high | 96.6 | Very high | 54 Ų | 54 | 44 Ų | 44 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.4 | -173.3 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | F452 E453 L457 | F452-S455 WeakPolarHBondContact O-CB 3.5Å; F452-S455 PolarHBondContact O-N 2.83Å; F452-S455 PolarHBondContact O-OG 3.08Å; E453-S455 PolarHBondContact O-N 2.64Å; S455-L457 PolarHBondContact O-N 2.64Å; S455-L457 WeakPolarHBondContact OG-CB 3.34Å; S455-L457 PolarHBondContact OG-N 2.88Å |
| 456 | N | 94.5 | Very high | 96.3 | Very high | 121 Ų | 121 | 47.3 Ų | 47.3 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 26.8 | -168.8 | -167.6 | 39.2 | 0 | 0 | 0 | 113.3 | H305 I458 | H305-N456 PolarHBondContact NE2-O 3.03Å; N456-I458 PolarHBondContact O-N 3.25Å |
| 457 | L | 96 | Very high | 95.7 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | trans | -71.4 | -32.7 | -172.1 | -174.9 | 65.8 | 0 | 0 | 0 | 112.1 | L265 A268 T269 H305 F452 S455 | L265-L457 HydrophobicContact CD2-CD2 4.2Å; A268-L457 HydrophobicContact CB-CD1 3.6Å; A268-L457 HydrophobicContact CB-CD2 4.18Å; A268-L457 HydrophobicContact CB-CG 3.46Å; A268-L457 VanDerWaalsContact CB-CG 3.46Å; A268-L457 WeakPolarHBondContact CB-O 3.46Å; T269-L457 WeakPolarHBondContact OG1-CD2 3.44Å; H305-L457 PolarHBondContact CD2-O 2.82Å; F452-L457 HydrophobicContact CD1-CD2 3.94Å; F452-L457 HydrophobicContact CE1-CD2 4.35Å; S455-L457 PolarHBondContact O-N 2.64Å; S455-L457 WeakPolarHBondContact OG-CB 3.34Å; S455-L457 PolarHBondContact OG-N 2.88Å | ||
| 458 | I | 98.1 | Very high | 95 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -140 | 160.3 | 176.3 | 59.8 | 174.1 | 0 | 0 | 0 | 109.9 | L261 L265 A268 V302 N456 I462 L463 | L261-I458 HydrophobicContact CD1-CD1 4.12Å; L265-I458 HydrophobicContact CD2-CD1 3.94Å; L265-I458 HydrophobicContact CD2-CG1 4.45Å; L265-I458 HydrophobicContact CG-CD1 4.28Å; A268-I458 HydrophobicContact CB-CG2 3.71Å; V302-I458 HydrophobicContact CG1-CG2 4.33Å; N456-I458 PolarHBondContact O-N 3.25Å; I458-I462 HydrophobicContact CD1-CG2 4.23Å; I458-L463 HydrophobicContact CD1-CB 4.12Å; I458-L463 HydrophobicContact CD1-CD1 3.95Å; I458-L463 HydrophobicContact CG1-CB 4.17Å; I458-L463 HydrophobicContact CG1-CD1 4.25Å |
| 459 | P | 98 | Very high | 94.1 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -58.2 | 139.5 | 177.6 | -23.8 | 33.9 | 0 | 0 | 0 | 112.1 | H305 E461 I462 L463 | H305-P459 HydrophobicContact CB-CG 3.73Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.68Å; P459-I462 HydrophobicContact CB-CG1 4.14Å; P459-I462 HydrophobicContact CG-CG1 4.27Å; P459-I462 WeakPolarHBondContact O-CA 3.46Å; P459-I462 WeakPolarHBondContact O-CB 3.39Å; P459-I462 PolarHBondContact O-N 2.96Å; P459-L463 PolarHBondContact O-N 3.15Å | ||
| 460 | K | 96.9 | Very high | 93.3 | Very high | 138 Ų | 138 | 54.7 Ų | 54.7 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.7 | -37.4 | -179.2 | -73.1 | -163.8 | 173.8 | -159.1 | 0 | 113.3 | I462 L463 W464 | K460-I462 VanDerWaalsContact C-N 3.26Å; K460-I462 PolarHBondContact O-N 3.35Å; K460-L463 PolarHBondContact O-N 2.93Å; K460-W464 PolarHBondContact O-N 2.76Å |
| 461 | E | 96.4 | Very high | 92.4 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -29.3 | 176.3 | 57.7 | -178.1 | -127 | 0 | 0 | 113.5 | K301 P459 R465 | K301-E461 WeakPolarHBondContact CD-OE1 3.48Å; K301-E461 WeakPolarHBondContact CE-OE1 3.42Å; K301-E461 IonicContact NZ-OE1 2.71Å; K301-E461 PolarHBondContact NZ-OE1 2.86Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.68Å; E461-R465 WeakPolarHBondContact O-CB 3.18Å; E461-R465 PolarHBondContact O-N 3.13Å |
| 462 | I | 97.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -81.3 | -42.7 | 173.1 | -58.6 | -60.9 | 0 | 0 | 0 | 110 | G259 A298 V302 I458 P459 K460 W464 R465 | G259-I462 WeakPolarHBondContact O-CG2 3.42Å; A298-I462 HydrophobicContact CB-CD1 3.67Å; V302-I462 HydrophobicContact CG2-CB 4.24Å; V302-I462 HydrophobicContact CG2-CD1 4.35Å; V302-I462 HydrophobicContact CG2-CG1 3.79Å; V302-I462 HydrophobicContact CG2-CG2 3.81Å; I458-I462 HydrophobicContact CD1-CG2 4.23Å; P459-I462 HydrophobicContact CB-CG1 4.14Å; P459-I462 HydrophobicContact CG-CG1 4.27Å; P459-I462 WeakPolarHBondContact O-CA 3.46Å; P459-I462 WeakPolarHBondContact O-CB 3.39Å; P459-I462 PolarHBondContact O-N 2.96Å; K460-I462 VanDerWaalsContact C-N 3.26Å; K460-I462 PolarHBondContact O-N 3.35Å; I462-W464 PolarHBondContact O-N 3.33Å; I462-W464 VanDerWaalsContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.26Å; I462-R465 PolarHBondContact O-N 2.94Å; I462-R465 VanDerWaalsContact O-N 3.1Å |
| 463 | L | 97.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -30.9 | 178.7 | -175.8 | 68.1 | 0 | 0 | 0 | 112.7 | L261 R449 F452 E453 I458 P459 K460 | L261-L463 HydrophobicContact CD1-CD1 3.86Å; R449-L463 HydrophobicContact CB-CD1 4.37Å; R449-L463 HydrophobicContact CB-CG 4.43Å; R449-L463 WeakPolarHBondContact CD-O 3.21Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.44Å; R449-L463 PolarHBondContact NH1-O 2.84Å; F452-L463 HydrophobicContact CB-CD1 4.35Å; E453-L463 VanDerWaalsContact CA-CD2 3.46Å; E453-L463 HydrophobicContact CB-CD2 3.86Å; E453-L463 HydrophobicContact CG-CD2 4.11Å; I458-L463 HydrophobicContact CD1-CB 4.12Å; I458-L463 HydrophobicContact CD1-CD1 3.95Å; I458-L463 HydrophobicContact CG1-CB 4.17Å; I458-L463 HydrophobicContact CG1-CD1 4.25Å; P459-L463 PolarHBondContact O-N 3.15Å; K460-L463 PolarHBondContact O-N 2.93Å |
| 464 | W | 96.7 | Very high | 89.8 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 13 | 179.2 | -64.3 | 107.5 | 0 | 0 | 0 | 113.5 | I443 R449 E450 K460 I462 | I443-W464 HydrophobicContact CD1-CE3 3.9Å; I443-W464 WeakPolarHBondContact CD1-O 3.43Å; I443-W464 HydrophobicContact CG2-CE3 4.36Å; I443-W464 HydrophobicContact CG2-CZ3 4.08Å; R449-W464 HydrophobicContact CB-CD2 4.42Å; R449-W464 HydrophobicContact CB-CE3 4.05Å; R449-W464 HydrophobicContact CB-CH2 3.9Å; R449-W464 HydrophobicContact CB-CZ2 4.26Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.4Å; R449-W464 HydrophobicContact CG-CZ3 4.42Å; E450-W464 HydrophobicContact CG-CH2 4.02Å; E450-W464 HydrophobicContact CG-CZ2 4.5Å; K460-W464 PolarHBondContact O-N 2.76Å; I462-W464 PolarHBondContact O-N 3.33Å; I462-W464 VanDerWaalsContact O-N 3.15Å |
| 465 | R | 93.2 | Very high | 89.3 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 129.9 | 173 | -176.7 | 174 | 172.5 | 177.9 | -9.3 | 110.3 | P294 D295 R449 E461 I462 E468 | P294-R465 PolarHBondContact O-NH1 3.17Å; P294-R465 VanDerWaalsContact O-NH1 3.08Å; D295-R465 IonicContact OD1-NH2 2.8Å; R449-R465 VanDerWaalsContact CZ-O 3.3Å; R449-R465 PolarHBondContact NH1-O 3.23Å; R449-R465 PolarHBondContact NH2-O 3.22Å; E461-R465 WeakPolarHBondContact O-CB 3.18Å; E461-R465 PolarHBondContact O-N 3.13Å; I462-R465 WeakPolarHBondContact O-CB 3.26Å; I462-R465 PolarHBondContact O-N 2.94Å; I462-R465 VanDerWaalsContact O-N 3.1Å; R465-E468 IonicContact CZ-OE1 3.7Å; R465-E468 IonicContact CZ-OE2 3.44Å; R465-E468 IonicContact NE-OE1 3.35Å; R465-E468 PolarHBondContact NE-OE1 3.27Å; R465-E468 IonicContact NH2-OE1 2.61Å; R465-E468 PolarHBondContact NH2-OE1 3.14Å; R465-E468 IonicContact NH2-OE2 2.91Å; R465-E468 PolarHBondContact NH2-OE2 3.23Å |
| 466 | P | 91.3 | Very high | 88.8 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 155.4 | 174.1 | -24.3 | 34.5 | 0 | 0 | 0 | 113.2 | E468 | P466-E468 PolarHBondContact O-N 3.28Š|
| 467 | K | 86.4 | Confident | 87.9 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 123.8 | -178.5 | 178.8 | 61.6 | 168.6 | 77.8 | 0 | 112.3 | D368 I375 E444 Y555 | D368-K467 WeakPolarHBondContact OD1-CE 3.3Å; D368-K467 WeakPolarHBondContact OD2-CE 3.3Å; D368-K467 IonicContact OD2-NZ 2.66Å; I375-K467 HydrophobicContact CD1-CB 4.11Å; E444-K467 HydrophobicContact CG-CB 3.94Å; E444-K467 WeakPolarHBondContact OE1-CB 3.44Å; E444-K467 PolarHBondContact OE1-N 3.07Å; K467-Y555 PolarHBondContact O-OH 3.03Å |
| 468 | E | 82.3 | Confident | 87.1 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | trans | -110.2 | 132.7 | 165.7 | -74.5 | 175.9 | -136.3 | 0 | 0 | 110.8 | R465 P466 Y555 | R465-E468 IonicContact CZ-OE1 3.7Å; R465-E468 IonicContact CZ-OE2 3.44Å; R465-E468 IonicContact NE-OE1 3.35Å; R465-E468 PolarHBondContact NE-OE1 3.27Å; R465-E468 IonicContact NH2-OE1 2.61Å; R465-E468 PolarHBondContact NH2-OE1 3.14Å; R465-E468 IonicContact NH2-OE2 2.91Å; R465-E468 PolarHBondContact NH2-OE2 3.23Å; P466-E468 PolarHBondContact O-N 3.28Å; E468-Y555 WeakPolarHBondContact CA-OH 3.47Å | ||
| 469 | A | 80 | Confident | 86.2 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | trans | -70.4 | 143.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S471 D472 G473 Y555 | A469-S471 PolarHBondContact O-N 3.35Å; A469-D472 HydrophobicContact CB-CB 4.37Å; A469-D472 CarbonylContact O-C 3.5Å; A469-D472 WeakPolarHBondContact O-CA 3.43Å; A469-D472 WeakPolarHBondContact O-CB 3.37Å; A469-D472 PolarHBondContact O-N 3.01Å; A469-G473 PolarHBondContact O-N 3.22Å; A469-Y555 PolarHBondContact N-OH 3.08Å | ||
| 470 | F | 82.2 | Confident | 85.5 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 23% | 0.232 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.2 | -48.8 | -173.6 | -178.4 | -106 | 0 | 0 | 0 | 112.5 | I288 A341 D472 G473 I474 | I288-F470 HydrophobicContact CG2-CE2 4.48Å; I288-F470 HydrophobicContact CG2-CZ 3.87Å; A341-F470 HydrophobicContact CB-CD1 4.01Å; A341-F470 WeakPolarHBondContact O-CD1 3.25Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å; F470-D472 PolarHBondContact O-N 3.29Å; F470-G473 PolarHBondContact O-N 3.01Å; F470-I474 HydrophobicContact CD1-CG2 4.45Å; F470-I474 HydrophobicContact CD2-CG2 4.04Å; F470-I474 HydrophobicContact CE1-CD1 4.26Å; F470-I474 HydrophobicContact CE1-CG2 4.13Å; F470-I474 HydrophobicContact CE2-CG2 3.69Å; F470-I474 HydrophobicContact CG-CG2 4.42Å; F470-I474 HydrophobicContact CZ-CG2 3.75Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 WeakPolarHBondContact O-CG2 3.25Å; F470-I474 PolarHBondContact O-N 2.84Å; F470-I474 VanDerWaalsContact O-N 3.14Å |
| 471 | S | 77.8 | Confident | 85.1 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -18.8 | 177.5 | 58 | 0 | 0 | 0 | 0 | 114 | A469 T475 | A469-S471 PolarHBondContact O-N 3.35Å; S471-T475 WeakPolarHBondContact O-CG2 3.15Å |
| 472 | D | 78.8 | Confident | 84.6 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -93.2 | -39.7 | 178.3 | -65.6 | -32.6 | 0 | 0 | 0 | 112.1 | A469 F470 T475 R550 | A469-D472 HydrophobicContact CB-CB 4.37Å; A469-D472 CarbonylContact O-C 3.5Å; A469-D472 WeakPolarHBondContact O-CA 3.43Å; A469-D472 WeakPolarHBondContact O-CB 3.37Å; A469-D472 PolarHBondContact O-N 3.01Å; F470-D472 PolarHBondContact O-N 3.29Å; D472-T475 WeakPolarHBondContact O-CB 3.34Å; D472-T475 WeakPolarHBondContact O-CG2 3.3Å; D472-T475 PolarHBondContact O-N 2.9Å; D472-T475 PolarHBondContact O-OG1 2.9Å; D472-R550 PolarHBondContact O-NH2 2.92Å; D472-R550 IonicContact OD1-CZ 3Å; D472-R550 IonicContact OD1-NE 2.78Å; D472-R550 PolarHBondContact OD1-NE 2.95Å; D472-R550 IonicContact OD1-NH2 3.14Å |
| 473 | G | 76.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.8 | -27.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S293 P294 D295 A469 F470 T475 | S293-G473 WeakPolarHBondContact CB-O 3.38Å; S293-G473 PolarHBondContact OG-O 3.46Å; P294-G473 WeakPolarHBondContact CD-O 3.38Å; D295-G473 WeakPolarHBondContact CB-O 3.43Å; D295-G473 PolarHBondContact N-O 3.09Å; D295-G473 WeakPolarHBondContact OD1-CA 3.36Å; D295-G473 VanDerWaalsContact OD2-CA 3.3Å; D295-G473 WeakPolarHBondContact OD2-CA 3.49Å; A469-G473 PolarHBondContact O-N 3.22Å; F470-G473 PolarHBondContact O-N 3.01Å; G473-T475 PolarHBondContact O-N 3.42Å |
| 474 | I | 82.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.7 | 174.9 | 69.6 | 175.4 | 0 | 0 | 0 | 113.9 | I288 G289 M290 F315 F470 | I288-I474 VanDerWaalsContact O-CG2 3.23Å; I288-I474 WeakPolarHBondContact O-CG2 3.47Å; G289-I474 CarbonylContact C-O 3.48Å; G289-I474 WeakPolarHBondContact CA-O 3.19Å; M290-I474 PolarHBondContact N-O 3.4Å; F315-I474 HydrophobicContact CE1-CB 4.34Å; F315-I474 HydrophobicContact CE1-CD1 4.05Å; F315-I474 HydrophobicContact CE1-CG1 4.34Å; F315-I474 HydrophobicContact CZ-CD1 4.01Å; F315-I474 HydrophobicContact CZ-CG1 4.43Å; F470-I474 HydrophobicContact CD1-CG2 4.45Å; F470-I474 HydrophobicContact CD2-CG2 4.04Å; F470-I474 HydrophobicContact CE1-CD1 4.26Å; F470-I474 HydrophobicContact CE1-CG2 4.13Å; F470-I474 HydrophobicContact CE2-CG2 3.69Å; F470-I474 HydrophobicContact CG-CG2 4.42Å; F470-I474 HydrophobicContact CZ-CG2 3.75Å; F470-I474 WeakPolarHBondContact O-CG1 3.33Å; F470-I474 WeakPolarHBondContact O-CG2 3.25Å; F470-I474 PolarHBondContact O-N 2.84Å; F470-I474 VanDerWaalsContact O-N 3.14Å |
| 475 | T | 81.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -90.7 | 147 | -171.9 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | S293 P294 S471 D472 G473 W481 R550 | S293-T475 WeakPolarHBondContact CA-O 3.38Å; S293-T475 VanDerWaalsContact CB-O 3.24Å; S293-T475 WeakPolarHBondContact CB-O 3.43Å; P294-T475 WeakPolarHBondContact CD-O 3.35Å; S471-T475 WeakPolarHBondContact O-CG2 3.15Å; D472-T475 WeakPolarHBondContact O-CB 3.34Å; D472-T475 WeakPolarHBondContact O-CG2 3.3Å; D472-T475 PolarHBondContact O-N 2.9Å; D472-T475 PolarHBondContact O-OG1 2.9Å; G473-T475 PolarHBondContact O-N 3.42Å; T475-W481 HydrophobicContact CG2-CB 3.53Å; T475-R550 PolarHBondContact OG1-NH2 3.41Å |
| 476 | S | 80.8 | Confident | 83.5 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | trans | -68.8 | 144.5 | 171.5 | -175.4 | 0 | 0 | 0 | 0 | 110 | E291 K478 N479 | E291-S476 WeakPolarHBondContact O-CB 3.48Å; E291-S476 PolarHBondContact O-OG 3.23Å; S476-K478 PolarHBondContact O-N 3.47Å; S476-K478 PolarHBondContact OG-N 2.86Å; S476-N479 CarbonylContact O-C 3.58Å | ||
| 477 | V | 76.1 | Confident | 83.6 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 74% | 0.739 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -61.1 | -27.9 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 478 | K | 77.9 | Confident | 84 | Confident | 165 Ų | 165 | 44 Ų | 44 | 72% | 0.717 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -81.3 | -44 | -177.4 | -64.1 | 172.2 | -173.3 | 154.4 | 0 | 112.8 | D292 S476 | D292-K478 IonicContact OD2-NZ 3.73Å; S476-K478 PolarHBondContact O-N 3.47Å; S476-K478 PolarHBondContact OG-N 2.86Å |
| 479 | N | 79.6 | Confident | 84.6 | Confident | 54 Ų | 54 | 41 Ų | 41 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -144.6 | 121.6 | 178.7 | -163 | 9.6 | 0 | 0 | 0 | 110.5 | S476 I484 | S476-N479 CarbonylContact O-C 3.58Å; N479-I484 HydrophobicContact CB-CD1 4.29Å; N479-I484 VanDerWaalsContact ND2-CG1 3.29Å; N479-I484 WeakPolarHBondContact ND2-CG1 3.46Å |
| 480 | S | 84 | Confident | 85.4 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | trans | -82 | 144.6 | -174.4 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | F482 K483 I484 R550 | S480-F482 VanDerWaalsContact C-N 3.25Å; S480-F482 PolarHBondContact O-N 3.24Å; S480-K483 PolarHBondContact O-N 2.97Å; S480-K483 WeakPolarHBondContact OG-CB 3.21Å; S480-K483 PolarHBondContact OG-N 2.91Å; S480-K483 VanDerWaalsContact OG-N 3.16Å; S480-I484 WeakPolarHBondContact O-CG1 3.33Å; S480-I484 PolarHBondContact O-N 2.98Å; S480-R550 PolarHBondContact OG-NH1 2.85Å | ||
| 481 | W | 87.4 | Confident | 86 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.3 | -43.5 | 173 | 177.5 | -129.8 | 0 | 0 | 0 | 112.9 | M290 F315 I321 R340 V343 T475 K483 I484 L485 | M290-W481 HydrophobicContact CE-CB 4.15Å; M290-W481 HydrophobicContact CE-CD2 4.41Å; M290-W481 HydrophobicContact CE-CE3 3.71Å; F315-W481 HydrophobicContact CE2-CD2 4.42Å; F315-W481 HydrophobicContact CE2-CE3 4.24Å; I321-W481 HydrophobicContact CG1-CH2 4.09Å; I321-W481 HydrophobicContact CG1-CZ3 4.13Å; R340-W481 PolarHBondContact O-NE1 2.67Å; V343-W481 HydrophobicContact CB-CZ2 4.17Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.98Å; V343-W481 HydrophobicContact CG2-CZ2 4.05Å; T475-W481 HydrophobicContact CG2-CB 3.53Å; W481-K483 PolarHBondContact O-N 3.33Å; W481-I484 HydrophobicContact CE3-CB 4.42Å; W481-I484 HydrophobicContact CE3-CG2 4.17Å; W481-I484 HydrophobicContact CZ3-CG2 4.07Å; W481-I484 PolarHBondContact O-N 2.94Å; W481-L485 HydrophobicContact CD2-CD1 4.03Å; W481-L485 HydrophobicContact CD2-CG 4.08Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.31Å; W481-L485 HydrophobicContact CG-CD1 4.34Å; W481-L485 HydrophobicContact CH2-CD1 4.41Å; W481-L485 HydrophobicContact CH2-CD2 3.66Å; W481-L485 HydrophobicContact CH2-CG 3.93Å; W481-L485 HydrophobicContact CZ2-CD1 3.69Å; W481-L485 HydrophobicContact CZ2-CD2 3.62Å; W481-L485 HydrophobicContact CZ2-CG 3.71Å; W481-L485 HydrophobicContact CZ3-CD2 4.33Å; W481-L485 HydrophobicContact CZ3-CG 4.25Å; W481-L485 WeakPolarHBondContact O-CG 3.48Å; W481-L485 PolarHBondContact O-N 2.78Å |
| 482 | F | 86.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.4 | -49 | 173.6 | 166.1 | -100.2 | 0 | 0 | 0 | 112.5 | S480 L485 Q486 | S480-F482 VanDerWaalsContact C-N 3.25Å; S480-F482 PolarHBondContact O-N 3.24Å; F482-L485 WeakPolarHBondContact O-CB 3.31Å; F482-L485 PolarHBondContact O-N 2.81Å; F482-Q486 HydrophobicContact CD1-CG 4.42Å; F482-Q486 HydrophobicContact CD2-CG 4.4Å; F482-Q486 HydrophobicContact CE1-CG 3.93Å; F482-Q486 HydrophobicContact CE2-CG 3.92Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.26Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.35Å; F482-Q486 PolarHBondContact O-N 3.47Å |
| 483 | K | 88 | Confident | 87.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | -179.4 | -171.3 | -176.7 | -178.9 | -133.3 | 0 | 111.8 | S480 W481 L485 Q486 E487 | S480-K483 PolarHBondContact O-N 2.97Å; S480-K483 WeakPolarHBondContact OG-CB 3.21Å; S480-K483 PolarHBondContact OG-N 2.91Å; S480-K483 VanDerWaalsContact OG-N 3.16Å; W481-K483 PolarHBondContact O-N 3.33Å; K483-L485 VanDerWaalsContact C-N 3.3Å; K483-L485 PolarHBondContact O-N 3.12Å; K483-Q486 PolarHBondContact O-N 2.89Å; K483-E487 WeakPolarHBondContact CE-OE1 3.14Å; K483-E487 HydrophobicContact CG-CG 4.49Å; K483-E487 IonicContact NZ-OE1 2.85Å; K483-E487 PolarHBondContact NZ-OE1 2.78Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 2.96Å |
| 484 | I | 91.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 174.6 | -71.5 | 159.3 | 0 | 0 | 0 | 110.5 | M290 I321 N479 S480 W481 E487 Y488 | M290-I484 HydrophobicContact CE-CD1 3.63Å; M290-I484 HydrophobicContact SD-CD1 4.07Å; I321-I484 HydrophobicContact CD1-CG2 3.95Å; N479-I484 HydrophobicContact CB-CD1 4.29Å; N479-I484 VanDerWaalsContact ND2-CG1 3.29Å; N479-I484 WeakPolarHBondContact ND2-CG1 3.46Å; S480-I484 WeakPolarHBondContact O-CG1 3.33Å; S480-I484 PolarHBondContact O-N 2.98Å; W481-I484 HydrophobicContact CE3-CB 4.42Å; W481-I484 HydrophobicContact CE3-CG2 4.17Å; W481-I484 HydrophobicContact CZ3-CG2 4.07Å; W481-I484 PolarHBondContact O-N 2.94Å; I484-E487 PolarHBondContact O-N 3.02Å; I484-Y488 WeakPolarHBondContact O-CB 3.44Å; I484-Y488 PolarHBondContact O-N 3.48Å |
| 485 | L | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.5 | -76.8 | 170.7 | 0 | 0 | 0 | 111.7 | L324 R340 W481 F482 K483 Y488 V489 Y518 | L324-L485 HydrophobicContact CD1-CD2 3.86Å; L324-L485 HydrophobicContact CD2-CD2 4.37Å; R340-L485 HydrophobicContact CG-CD1 3.95Å; W481-L485 HydrophobicContact CD2-CD1 4.03Å; W481-L485 HydrophobicContact CD2-CG 4.08Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.31Å; W481-L485 HydrophobicContact CG-CD1 4.34Å; W481-L485 HydrophobicContact CH2-CD1 4.41Å; W481-L485 HydrophobicContact CH2-CD2 3.66Å; W481-L485 HydrophobicContact CH2-CG 3.93Å; W481-L485 HydrophobicContact CZ2-CD1 3.69Å; W481-L485 HydrophobicContact CZ2-CD2 3.62Å; W481-L485 HydrophobicContact CZ2-CG 3.71Å; W481-L485 HydrophobicContact CZ3-CD2 4.33Å; W481-L485 HydrophobicContact CZ3-CG 4.25Å; W481-L485 WeakPolarHBondContact O-CG 3.48Å; W481-L485 PolarHBondContact O-N 2.78Å; F482-L485 WeakPolarHBondContact O-CB 3.31Å; F482-L485 PolarHBondContact O-N 2.81Å; K483-L485 VanDerWaalsContact C-N 3.3Å; K483-L485 PolarHBondContact O-N 3.12Å; L485-Y488 PolarHBondContact O-N 2.92Å; L485-V489 WeakPolarHBondContact O-CG1 3.09Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.96Å; L485-Y518 WeakPolarHBondContact CD1-OH 3.32Å |
| 486 | Q | 91.1 | Very high | 90.3 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 176.7 | -64.8 | -40.1 | -67.5 | 0 | 0 | 111.7 | F482 K483 Y488 V489 E490 E514 | F482-Q486 HydrophobicContact CD1-CG 4.42Å; F482-Q486 HydrophobicContact CD2-CG 4.4Å; F482-Q486 HydrophobicContact CE1-CG 3.93Å; F482-Q486 HydrophobicContact CE2-CG 3.92Å; F482-Q486 VanDerWaalsContact CE2-NE2 3.26Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.35Å; F482-Q486 PolarHBondContact O-N 3.47Å; K483-Q486 PolarHBondContact O-N 2.89Å; Q486-Y488 VanDerWaalsContact C-N 3.29Å; Q486-Y488 PolarHBondContact O-N 3.31Å; Q486-V489 WeakPolarHBondContact O-CG2 3.47Å; Q486-V489 PolarHBondContact O-N 2.63Å; Q486-E490 WeakPolarHBondContact O-CB 3.16Å; Q486-E490 PolarHBondContact O-N 2.86Å; Q486-E514 PolarHBondContact NE2-OE2 2.77Å |
| 487 | E | 93.7 | Very high | 91.1 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 179.3 | -72.6 | 171.9 | -174.4 | 0 | 0 | 110.9 | K483 I484 H491 | K483-E487 WeakPolarHBondContact CE-OE1 3.14Å; K483-E487 HydrophobicContact CG-CG 4.49Å; K483-E487 IonicContact NZ-OE1 2.85Å; K483-E487 PolarHBondContact NZ-OE1 2.78Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 2.96Å; I484-E487 PolarHBondContact O-N 3.02Å; E487-H491 PolarHBondContact O-CD2 2.85Å |
| 488 | Y | 95.6 | Very high | 92.2 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -50.7 | 177.3 | 177.1 | -104.7 | 0 | 0 | 0 | 112.6 | I321 I484 L485 Q486 E490 H491 Q492 Y517 | I321-Y488 HydrophobicContact CD1-CD2 4.02Å; I321-Y488 HydrophobicContact CD1-CG 3.96Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 4.03Å; I321-Y488 HydrophobicContact CG2-CD2 3.96Å; I321-Y488 HydrophobicContact CG2-CE1 3.68Å; I321-Y488 HydrophobicContact CG2-CE2 3.63Å; I321-Y488 HydrophobicContact CG2-CG 4.15Å; I321-Y488 VanDerWaalsContact CG2-CZ 3.47Å; I484-Y488 WeakPolarHBondContact O-CB 3.44Å; I484-Y488 PolarHBondContact O-N 3.48Å; L485-Y488 PolarHBondContact O-N 2.92Å; Q486-Y488 VanDerWaalsContact C-N 3.29Å; Q486-Y488 PolarHBondContact O-N 3.31Å; Y488-E490 VanDerWaalsContact C-N 3.29Å; Y488-E490 PolarHBondContact O-N 3.04Å; Y488-H491 PolarHBondContact O-N 2.89Å; Y488-Q492 HydrophobicContact CD1-CG 4.33Å; Y488-Q492 HydrophobicContact CE1-CG 3.97Å; Y488-Q492 HydrophobicContact CE2-CG 4.42Å; Y488-Q492 WeakPolarHBondContact O-CG 3.44Å; Y488-Y517 HydrophobicContact CD1-CE1 4.48Å; Y488-Y517 AromaticContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE2 4.3Å; Y488-Y517 AromaticContact CE1-CZ 3.58Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.44Å; Y488-Y517 PolarHBondContact OH-OH 3.18Å |
| 489 | V | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.5 | -24.5 | -175.8 | -59 | 0 | 0 | 0 | 0 | 113.2 | L485 Q486 H491 Q492 V493 K513 E514 Y517 | L485-V489 WeakPolarHBondContact O-CG1 3.09Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.96Å; Q486-V489 WeakPolarHBondContact O-CG2 3.47Å; Q486-V489 PolarHBondContact O-N 2.63Å; V489-H491 PolarHBondContact O-N 3.47Å; V489-Q492 PolarHBondContact O-N 2.75Å; V489-V493 PolarHBondContact O-N 2.85Å; V489-K513 HydrophobicContact CG2-CB 4.2Å; V489-E514 HydrophobicContact CG2-CB 4.13Å; V489-Y517 HydrophobicContact CG1-CD1 3.86Å; V489-Y517 HydrophobicContact CG1-CG 3.89Å |
| 490 | E | 95 | Very high | 94 | Very high | 103 Ų | 103 | 59.6 Ų | 59.6 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -32.8 | 173.5 | -167.3 | 61.2 | -148.1 | 0 | 0 | 111.7 | Q486 Y488 K513 | Q486-E490 WeakPolarHBondContact O-CB 3.16Å; Q486-E490 PolarHBondContact O-N 2.86Å; Y488-E490 VanDerWaalsContact C-N 3.29Å; Y488-E490 PolarHBondContact O-N 3.04Å; E490-K513 VanDerWaalsContact CD-NZ 3.35Å; E490-K513 IonicContact OE1-NZ 3.98Å; E490-K513 PolarHBondContact OE1-NZ 2.81Å; E490-K513 VanDerWaalsContact OE2-CD 3.28Å; E490-K513 WeakPolarHBondContact OE2-CD 3.3Å; E490-K513 IonicContact OE2-NZ 2.65Å |
| 491 | H | 95.4 | Very high | 94.7 | Very high | 163 Ų | 163 | 59 Ų | 59 | 76% | 0.755 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.6 | 175.7 | -65.8 | -64.8 | 0 | 0 | 0 | 114.1 | E487 Y488 V489 | E487-H491 PolarHBondContact O-CD2 2.85Å; Y488-H491 PolarHBondContact O-N 2.89Å; V489-H491 PolarHBondContact O-N 3.47Å |
| 492 | Q | 97.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -25.5 | -177.4 | -57.7 | -57.8 | -49 | 0 | 0 | 113.4 | Y488 V489 Y517 | Y488-Q492 HydrophobicContact CD1-CG 4.33Å; Y488-Q492 HydrophobicContact CE1-CG 3.97Å; Y488-Q492 HydrophobicContact CE2-CG 4.42Å; Y488-Q492 WeakPolarHBondContact O-CG 3.44Å; V489-Q492 PolarHBondContact O-N 2.75Å; Q492-Y517 HydrophobicContact CB-CD2 3.69Å; Q492-Y517 HydrophobicContact CB-CE2 3.74Å; Q492-Y517 HydrophobicContact CG-CD2 4.17Å; Q492-Y517 HydrophobicContact CG-CE2 3.78Å |
| 493 | V | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -127.5 | 110 | -176.9 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | V489 M497 M498 K513 Y516 Y517 | V489-V493 PolarHBondContact O-N 2.85Å; V493-M497 HydrophobicContact CB-CE 4.33Å; V493-M497 HydrophobicContact CG1-CB 3.94Å; V493-M497 HydrophobicContact CG1-CE 4.11Å; V493-M497 HydrophobicContact CG1-SD 4.47Å; V493-M497 HydrophobicContact CG2-CE 4.17Å; V493-M498 HydrophobicContact CG1-CG 3.94Å; V493-M498 HydrophobicContact CG1-SD 4.12Å; V493-K513 HydrophobicContact CB-CB 4.06Å; V493-K513 HydrophobicContact CB-CD 4.48Å; V493-K513 HydrophobicContact CB-CG 4.08Å; V493-K513 HydrophobicContact CG1-CB 4.25Å; V493-K513 HydrophobicContact CG1-CG 3.96Å; V493-K513 WeakPolarHBondContact O-CD 3.45Å; V493-K513 WeakPolarHBondContact O-CE 3.26Å; V493-K513 PolarHBondContact O-NZ 3.49Å; V493-Y516 HydrophobicContact CG1-CD1 3.84Å; V493-Y516 HydrophobicContact CG1-CE1 4.39Å; V493-Y516 HydrophobicContact CG1-CG 3.92Å; V493-Y516 HydrophobicContact CG2-CD1 3.96Å; V493-Y517 HydrophobicContact CG2-CD2 4.43Å |
| 494 | D | 97.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -81.1 | 169.4 | 176.7 | 68.8 | 42.7 | 0 | 0 | 0 | 112.8 | A496 M497 M498 | D494-A496 VanDerWaalsContact C-N 3.26Å; D494-A496 PolarHBondContact O-N 2.84Å; D494-A496 WeakPolarHBondContact OD1-CA 3.35Å; D494-A496 WeakPolarHBondContact OD1-CB 3.43Å; D494-A496 PolarHBondContact OD1-N 3.47Å; D494-M497 WeakPolarHBondContact O-CB 3.35Å; D494-M497 PolarHBondContact O-N 3.45Å; D494-M497 WeakPolarHBondContact OD1-CG 3.39Å; D494-M497 PolarHBondContact OD1-N 3.05Å; D494-M498 PolarHBondContact O-N 2.7Å | ||
| 495 | D | 97.4 | Very high | 96.6 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.5 | -26.3 | -177.9 | -69.3 | -3.3 | 0 | 0 | 0 | 112.6 | M498 A499 K513 | D495-M498 PolarHBondContact O-N 3.2Å; D495-A499 WeakPolarHBondContact O-CB 3.4Å; D495-A499 PolarHBondContact O-N 2.96Å; D495-K513 WeakPolarHBondContact OD1-CE 3.36Å; D495-K513 IonicContact OD1-NZ 2.75Å; D495-K513 PolarHBondContact OD1-NZ 2.85Å |
| 496 | A | 97.9 | Very high | 97 | Very high | 70 Ų | 70 | 71.8 Ų | 71.8 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -71.5 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D494 A499 N500 | D494-A496 VanDerWaalsContact C-N 3.26Å; D494-A496 PolarHBondContact O-N 2.84Å; D494-A496 WeakPolarHBondContact OD1-CA 3.35Å; D494-A496 WeakPolarHBondContact OD1-CB 3.43Å; D494-A496 PolarHBondContact OD1-N 3.47Å; A496-A499 PolarHBondContact O-N 3.36Å; A496-N500 WeakPolarHBondContact O-CB 3.29Å; A496-N500 PolarHBondContact O-N 2.76Å |
| 497 | M | 98.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 19% | 0.192 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.7 | -70.6 | 170.8 | 64.4 | 0 | 0 | 110.9 | V493 D494 N500 A501 Y516 | V493-M497 HydrophobicContact CB-CE 4.33Å; V493-M497 HydrophobicContact CG1-CB 3.94Å; V493-M497 HydrophobicContact CG1-CE 4.11Å; V493-M497 HydrophobicContact CG1-SD 4.47Å; V493-M497 HydrophobicContact CG2-CE 4.17Å; D494-M497 WeakPolarHBondContact O-CB 3.35Å; D494-M497 PolarHBondContact O-N 3.45Å; D494-M497 WeakPolarHBondContact OD1-CG 3.39Å; D494-M497 PolarHBondContact OD1-N 3.05Å; M497-N500 CarbonylContact O-C 3.51Å; M497-N500 PolarHBondContact O-N 3.14Å; M497-A501 PolarHBondContact O-N 2.63Å; M497-A501 VanDerWaalsContact O-N 3.12Å; M497-Y516 HydrophobicContact CB-CE1 4.25Å; M497-Y516 HydrophobicContact CB-CE2 4.32Å; M497-Y516 HydrophobicContact CE-CD1 4.06Å; M497-Y516 HydrophobicContact CE-CE1 3.4Å; M497-Y516 WeakPolarHBondContact O-CE2 3.43Å |
| 498 | M | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 21% | 0.207 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.7 | -77.3 | -56.4 | -58.6 | 0 | 0 | 112.6 | V493 D494 D495 N500 A501 K513 Y516 | V493-M498 HydrophobicContact CG1-CG 3.94Å; V493-M498 HydrophobicContact CG1-SD 4.12Å; D494-M498 PolarHBondContact O-N 2.7Å; D495-M498 PolarHBondContact O-N 3.2Å; M498-N500 PolarHBondContact O-N 2.98Å; M498-A501 WeakPolarHBondContact O-CB 3.31Å; M498-A501 PolarHBondContact O-N 3.1Å; M498-K513 HydrophobicContact CG-CG 3.62Å; M498-K513 HydrophobicContact SD-CG 4.07Å; M498-Y516 HydrophobicContact SD-CD2 3.77Å; M498-Y516 HydrophobicContact SD-CG 4.07Å |
| 499 | A | 98 | Very high | 97.6 | Very high | 90 Ų | 90 | 70.4 Ų | 70.4 | 74% | 0.744 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.9 | -31.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D495 A496 | D495-A499 WeakPolarHBondContact O-CB 3.4Å; D495-A499 PolarHBondContact O-N 2.96Å; A496-A499 PolarHBondContact O-N 3.36Å |
| 500 | N | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.2 | 178 | -161.2 | 40 | 0 | 0 | 0 | 114.2 | A496 M497 M498 A502 Q503 K504 | A496-N500 WeakPolarHBondContact O-CB 3.29Å; A496-N500 PolarHBondContact O-N 2.76Å; M497-N500 CarbonylContact O-C 3.51Å; M497-N500 PolarHBondContact O-N 3.14Å; M498-N500 PolarHBondContact O-N 2.98Å; N500-A502 VanDerWaalsContact C-N 3.35Å; N500-A502 PolarHBondContact O-N 3.29Å; N500-Q503 PolarHBondContact O-N 2.97Å; N500-Q503 VanDerWaalsContact O-N 3.16Å; N500-Q503 WeakPolarHBondContact OD1-CB 3.32Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.46Å; N500-Q503 PolarHBondContact OD1-OE1 3.02Å; N500-K504 PolarHBondContact O-N 2.83Å; N500-K504 VanDerWaalsContact O-N 3.09Å |
| 501 | A | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 3% | 0.025 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M497 M498 Q503 K504 F505 T509 P510 Y516 | M497-A501 PolarHBondContact O-N 2.63Å; M497-A501 VanDerWaalsContact O-N 3.12Å; M498-A501 WeakPolarHBondContact O-CB 3.31Å; M498-A501 PolarHBondContact O-N 3.1Å; A501-Q503 VanDerWaalsContact C-N 3.29Å; A501-Q503 PolarHBondContact O-N 3.36Å; A501-K504 PolarHBondContact O-N 3.3Å; A501-F505 CarbonylContact O-C 3.59Å; A501-F505 WeakPolarHBondContact O-CA 3.29Å; A501-F505 PolarHBondContact O-N 3.4Å; A501-T509 HydrophobicContact CB-CG2 3.9Å; A501-P510 HydrophobicContact CB-CG 4.25Å; A501-Y516 HydrophobicContact CB-CD2 3.81Å; A501-Y516 HydrophobicContact CB-CE2 3.75Å |
| 502 | A | 98.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.8 | -29.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N500 P506 T509 | N500-A502 VanDerWaalsContact C-N 3.35Å; N500-A502 PolarHBondContact O-N 3.29Å; A502-P506 VanDerWaalsContact O-CA 3.3Å; A502-P506 WeakPolarHBondContact O-CA 3.49Å; A502-T509 HydrophobicContact CB-CG2 4.03Å |
| 503 | Q | 98.2 | Very high | 97.6 | Very high | 162 Ų | 162 | 65 Ų | 65 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -77.4 | -41.3 | 175.9 | -57.9 | -172.5 | 13 | 0 | 0 | 111.1 | N500 A501 | N500-Q503 PolarHBondContact O-N 2.97Å; N500-Q503 VanDerWaalsContact O-N 3.16Å; N500-Q503 WeakPolarHBondContact OD1-CB 3.32Å; N500-Q503 WeakPolarHBondContact OD1-CG 3.46Å; N500-Q503 PolarHBondContact OD1-OE1 3.02Å; A501-Q503 VanDerWaalsContact C-N 3.29Å; A501-Q503 PolarHBondContact O-N 3.36Å |
| 504 | K | 98.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 65 Ų | 65 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.8 | -39.4 | -178.5 | -167.3 | -179.1 | -175.1 | 174.3 | 0 | 112.9 | N500 A501 Y516 | N500-K504 PolarHBondContact O-N 2.83Å; N500-K504 VanDerWaalsContact O-N 3.09Å; A501-K504 PolarHBondContact O-N 3.3Å; K504-Y516 WeakPolarHBondContact CD-OH 3.49Å; K504-Y516 PolarHBondContact NZ-OH 3.03Å |
| 505 | F | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | trans | -126.9 | 74.8 | -177.7 | -54.2 | -51.1 | 0 | 0 | 0 | 109.5 | A501 F507 T509 P510 Y516 R519 Q520 E523 | A501-F505 CarbonylContact O-C 3.59Å; A501-F505 WeakPolarHBondContact O-CA 3.29Å; A501-F505 PolarHBondContact O-N 3.4Å; F505-F507 VanDerWaalsContact C-N 3.32Å; F505-F507 PolarHBondContact O-N 2.76Å; F505-T509 WeakPolarHBondContact O-CA 3.16Å; F505-T509 WeakPolarHBondContact O-CB 3.17Å; F505-T509 PolarHBondContact O-OG1 2.82Å; F505-P510 HydrophobicContact CD2-CG 3.9Å; F505-Y516 HydrophobicContact CD2-CD2 4.25Å; F505-Y516 HydrophobicContact CD2-CE2 4.04Å; F505-Y516 HydrophobicContact CE2-CD1 4.1Å; F505-Y516 HydrophobicContact CE2-CD2 4.09Å; F505-Y516 AromaticContact CE2-CE1 3.79Å; F505-Y516 HydrophobicContact CE2-CE1 3.79Å; F505-Y516 AromaticContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CG 4.23Å; F505-Y516 AromaticContact CE2-CZ 3.66Å; F505-Y516 HydrophobicContact CZ-CE1 4.49Å; F505-R519 HydrophobicContact CD1-CG 3.93Å; F505-R519 HydrophobicContact CD2-CG 3.91Å; F505-R519 HydrophobicContact CE1-CG 4.05Å; F505-R519 HydrophobicContact CE2-CB 4.42Å; F505-R519 HydrophobicContact CE2-CG 3.99Å; F505-R519 HydrophobicContact CG-CG 3.86Å; F505-R519 HydrophobicContact CZ-CG 4.06Å; F505-Q520 HydrophobicContact CE2-CG 4.25Å; F505-Q520 HydrophobicContact CZ-CG 3.96Å; F505-E523 HydrophobicContact CD1-CG 4.25Å; F505-E523 HydrophobicContact CE1-CB 4.41Å; F505-E523 HydrophobicContact CE1-CG 3.8Å | ||
| 506 | P | 98.1 | Very high | 97.5 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 67% | 0.669 | 31% | 0.31 | S | S | * | . | trans | -68.3 | -31 | -175.7 | 26.6 | -34.9 | 0 | 0 | 0 | 112.9 | A502 | A502-P506 VanDerWaalsContact O-CA 3.3Å; A502-P506 WeakPolarHBondContact O-CA 3.49Å | ||
| 507 | F | 98.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -88.6 | 129.1 | 172.7 | -174.9 | -91.6 | 0 | 0 | 0 | 110.5 | F505 T509 R519 A530 D531 L533 | F505-F507 VanDerWaalsContact C-N 3.32Å; F505-F507 PolarHBondContact O-N 2.76Å; F507-T509 VanDerWaalsContact C-N 3.33Å; F507-T509 PolarHBondContact O-N 3.5Å; F507-R519 PolarHBondContact O-NH1 3.19Å; F507-R519 PolarHBondContact O-NH2 3.38Å; F507-A530 HydrophobicContact CD1-CB 3.88Å; F507-A530 VanDerWaalsContact CE1-O 3.32Å; F507-A530 WeakPolarHBondContact CE1-O 3.36Å; F507-D531 HydrophobicContact CE1-CB 4.37Å; F507-D531 HydrophobicContact CZ-CB 4.31Å; F507-L533 WeakPolarHBondContact CE1-O 3.43Å |
| 508 | N | 97.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 46.6 | 54.2 | -177.6 | -78.9 | -13.5 | 0 | 0 | 0 | 112.9 | Y334 R519 L533 S534 Y536 | Y334-N508 HydrophobicContact CE2-CB 4.02Å; Y334-N508 VanDerWaalsContact OH-CB 3.32Å; Y334-N508 WeakPolarHBondContact OH-CB 3.35Å; Y334-N508 PolarHBondContact OH-ND2 3.07Å; Y334-N508 VanDerWaalsContact OH-ND2 3.16Å; N508-R519 PolarHBondContact O-NH1 2.72Å; N508-L533 PolarHBondContact ND2-O 3.05Å; N508-S534 PolarHBondContact ND2-O 3.17Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å; N508-Y536 HydrophobicContact CB-CE2 3.99Å; N508-Y536 WeakPolarHBondContact O-CE2 3.37Å; N508-Y536 PolarHBondContact O-OH 3.16Å; N508-Y536 VanDerWaalsContact O-OH 3.12Å |
| 509 | T | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | trans | -52.5 | 124.7 | -178.6 | -55 | 0 | 0 | 0 | 0 | 111 | A501 A502 F505 F507 K511 | A501-T509 HydrophobicContact CB-CG2 3.9Å; A502-T509 HydrophobicContact CB-CG2 4.03Å; F505-T509 WeakPolarHBondContact O-CA 3.16Å; F505-T509 WeakPolarHBondContact O-CB 3.17Å; F505-T509 PolarHBondContact O-OG1 2.82Å; F507-T509 VanDerWaalsContact C-N 3.33Å; F507-T509 PolarHBondContact O-N 3.5Å; T509-K511 PolarHBondContact O-N 3.24Å | ||
| 510 | P | 96.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -65 | 134.7 | 179.2 | 26.9 | -34 | 0 | 0 | 0 | 110.6 | A501 F505 G515 Y516 | A501-P510 HydrophobicContact CB-CG 4.25Å; F505-P510 HydrophobicContact CD2-CG 3.9Å; P510-G515 VanDerWaalsContact CB-C 3.45Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.7Å; P510-Y516 HydrophobicContact CG-CG 4.08Å | ||
| 511 | K | 95 | Very high | 97.6 | Very high | 178 Ų | 178 | 45.3 Ų | 45.3 | 77% | 0.774 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -96.9 | -8.6 | -178.6 | -62.4 | -176.9 | -179 | 177.7 | 0 | 113.7 | T509 | T509-K511 PolarHBondContact O-N 3.24Š|
| 512 | T | 94.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -134.5 | 157.9 | -179.7 | 65 | 0 | 0 | 0 | 0 | 110.1 | E514 G515 Y516 | T512-E514 PolarHBondContact O-N 2.82Å; T512-G515 PolarHBondContact O-N 3.25Å; T512-G515 PolarHBondContact OG1-N 3.12Å; T512-G515 VanDerWaalsContact OG1-N 3.14Å; T512-Y516 PolarHBondContact O-N 2.89Å |
| 513 | K | 96.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -36.6 | 175.6 | -73.7 | -178.3 | 175.3 | -171.4 | 0 | 112.3 | V489 E490 V493 D495 M498 Y516 Y517 | V489-K513 HydrophobicContact CG2-CB 4.2Å; E490-K513 VanDerWaalsContact CD-NZ 3.35Å; E490-K513 IonicContact OE1-NZ 3.98Å; E490-K513 PolarHBondContact OE1-NZ 2.81Å; E490-K513 VanDerWaalsContact OE2-CD 3.28Å; E490-K513 WeakPolarHBondContact OE2-CD 3.3Å; E490-K513 IonicContact OE2-NZ 2.65Å; V493-K513 HydrophobicContact CB-CB 4.06Å; V493-K513 HydrophobicContact CB-CD 4.48Å; V493-K513 HydrophobicContact CB-CG 4.08Å; V493-K513 HydrophobicContact CG1-CB 4.25Å; V493-K513 HydrophobicContact CG1-CG 3.96Å; V493-K513 WeakPolarHBondContact O-CD 3.45Å; V493-K513 WeakPolarHBondContact O-CE 3.26Å; V493-K513 PolarHBondContact O-NZ 3.49Å; D495-K513 WeakPolarHBondContact OD1-CE 3.36Å; D495-K513 IonicContact OD1-NZ 2.75Å; D495-K513 PolarHBondContact OD1-NZ 2.85Å; M498-K513 HydrophobicContact CG-CG 3.62Å; M498-K513 HydrophobicContact SD-CG 4.07Å; K513-Y516 WeakPolarHBondContact O-CB 3.28Å; K513-Y516 PolarHBondContact O-N 3.31Å; K513-Y517 WeakPolarHBondContact O-CB 3.16Å; K513-Y517 PolarHBondContact O-N 2.94Å |
| 514 | E | 96.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 174.2 | -177 | 179.8 | 179.2 | 0 | 0 | 112.7 | R340 Q486 V489 T512 Y516 Y517 Y518 | R340-E514 WeakPolarHBondContact CG-OE1 3.29Å; R340-E514 IonicContact CZ-OE1 3.6Å; R340-E514 IonicContact CZ-OE2 3.54Å; R340-E514 IonicContact NE-OE1 2.78Å; R340-E514 PolarHBondContact NE-OE1 3.19Å; R340-E514 IonicContact NE-OE2 3.37Å; R340-E514 PolarHBondContact NE-OE2 3.26Å; R340-E514 IonicContact NH2-OE1 3.82Å; R340-E514 PolarHBondContact NH2-OE1 3.45Å; R340-E514 IonicContact NH2-OE2 3.55Å; R340-E514 PolarHBondContact NH2-OE2 3.2Å; Q486-E514 PolarHBondContact NE2-OE2 2.77Å; V489-E514 HydrophobicContact CG2-CB 4.13Å; T512-E514 PolarHBondContact O-N 2.82Å; E514-Y516 PolarHBondContact O-N 3.24Å; E514-Y517 PolarHBondContact O-N 3.06Å; E514-Y517 VanDerWaalsContact O-N 3.12Å; E514-Y518 HydrophobicContact CG-CD2 4.08Å; E514-Y518 HydrophobicContact CG-CE1 4.06Å; E514-Y518 HydrophobicContact CG-CE2 3.51Å; E514-Y518 PolarHBondContact O-N 2.83Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.44Å; E514-Y518 PolarHBondContact OE1-OH 2.86Å |
| 515 | G | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | P510 T512 R519 | P510-G515 VanDerWaalsContact CB-C 3.45Å; T512-G515 PolarHBondContact O-N 3.25Å; T512-G515 PolarHBondContact OG1-N 3.12Å; T512-G515 VanDerWaalsContact OG1-N 3.14Å; G515-R519 WeakPolarHBondContact O-CB 3.32Å; G515-R519 PolarHBondContact O-N 2.92Å |
| 516 | Y | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 174.9 | -165.8 | -69.5 | 0 | 0 | 0 | 111.5 | V493 M497 M498 A501 K504 F505 P510 T512 K513 E514 Y518 R519 Q520 | V493-Y516 HydrophobicContact CG1-CD1 3.84Å; V493-Y516 HydrophobicContact CG1-CE1 4.39Å; V493-Y516 HydrophobicContact CG1-CG 3.92Å; V493-Y516 HydrophobicContact CG2-CD1 3.96Å; M497-Y516 HydrophobicContact CB-CE1 4.25Å; M497-Y516 HydrophobicContact CB-CE2 4.32Å; M497-Y516 HydrophobicContact CE-CD1 4.06Å; M497-Y516 HydrophobicContact CE-CE1 3.4Å; M497-Y516 WeakPolarHBondContact O-CE2 3.43Å; M498-Y516 HydrophobicContact SD-CD2 3.77Å; M498-Y516 HydrophobicContact SD-CG 4.07Å; A501-Y516 HydrophobicContact CB-CD2 3.81Å; A501-Y516 HydrophobicContact CB-CE2 3.75Å; K504-Y516 WeakPolarHBondContact CD-OH 3.49Å; K504-Y516 PolarHBondContact NZ-OH 3.03Å; F505-Y516 HydrophobicContact CD2-CD2 4.25Å; F505-Y516 HydrophobicContact CD2-CE2 4.04Å; F505-Y516 HydrophobicContact CE2-CD1 4.1Å; F505-Y516 HydrophobicContact CE2-CD2 4.09Å; F505-Y516 AromaticContact CE2-CE1 3.79Å; F505-Y516 HydrophobicContact CE2-CE1 3.79Å; F505-Y516 AromaticContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CE2 3.81Å; F505-Y516 HydrophobicContact CE2-CG 4.23Å; F505-Y516 AromaticContact CE2-CZ 3.66Å; F505-Y516 HydrophobicContact CZ-CE1 4.49Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.7Å; P510-Y516 HydrophobicContact CG-CG 4.08Å; T512-Y516 PolarHBondContact O-N 2.89Å; K513-Y516 WeakPolarHBondContact O-CB 3.28Å; K513-Y516 PolarHBondContact O-N 3.31Å; E514-Y516 PolarHBondContact O-N 3.24Å; Y516-Y518 PolarHBondContact O-N 3.03Å; Y516-R519 PolarHBondContact O-N 2.83Å; Y516-Q520 HydrophobicContact CD1-CG 3.68Å; Y516-Q520 VanDerWaalsContact CD1-OE1 3.22Å; Y516-Q520 HydrophobicContact CE1-CG 3.53Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.31Å |
| 517 | Y | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 179 | -175.1 | -106.3 | 0 | 0 | 0 | 111.8 | L324 Y488 V489 Q492 V493 K513 E514 R519 Q520 I521 | L324-Y517 HydrophobicContact CD1-CE1 4.04Å; Y488-Y517 HydrophobicContact CD1-CE1 4.48Å; Y488-Y517 AromaticContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE1 3.79Å; Y488-Y517 HydrophobicContact CE1-CE2 4.3Å; Y488-Y517 AromaticContact CE1-CZ 3.58Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.44Å; Y488-Y517 PolarHBondContact OH-OH 3.18Å; V489-Y517 HydrophobicContact CG1-CD1 3.86Å; V489-Y517 HydrophobicContact CG1-CG 3.89Å; Q492-Y517 HydrophobicContact CB-CD2 3.69Å; Q492-Y517 HydrophobicContact CB-CE2 3.74Å; Q492-Y517 HydrophobicContact CG-CD2 4.17Å; Q492-Y517 HydrophobicContact CG-CE2 3.78Å; V493-Y517 HydrophobicContact CG2-CD2 4.43Å; K513-Y517 WeakPolarHBondContact O-CB 3.16Å; K513-Y517 PolarHBondContact O-N 2.94Å; E514-Y517 PolarHBondContact O-N 3.06Å; E514-Y517 VanDerWaalsContact O-N 3.12Å; Y517-R519 VanDerWaalsContact C-N 3.35Å; Y517-R519 PolarHBondContact O-N 3.1Å; Y517-Q520 WeakPolarHBondContact O-CB 3.43Å; Y517-Q520 PolarHBondContact O-N 3.24Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.45Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.45Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.16Å; Y517-I521 VanDerWaalsContact O-N 3.14Å |
| 518 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.9 | -62.6 | -14.5 | 0 | 0 | 0 | 111.7 | L324 I328 I336 V339 L485 E514 Y516 Q520 I521 F522 | L324-Y518 HydrophobicContact CD1-CE1 4.44Å; L324-Y518 HydrophobicContact CD2-CE1 3.96Å; I328-Y518 HydrophobicContact CD1-CD1 3.93Å; I328-Y518 HydrophobicContact CD1-CG 4.21Å; I336-Y518 HydrophobicContact CG1-CD2 4.28Å; I336-Y518 HydrophobicContact CG2-CE2 4.37Å; V339-Y518 HydrophobicContact CB-CD2 3.81Å; V339-Y518 HydrophobicContact CB-CE2 3.68Å; V339-Y518 HydrophobicContact CB-CG 4.37Å; V339-Y518 HydrophobicContact CG1-CD1 4.02Å; V339-Y518 HydrophobicContact CG1-CD2 3.88Å; V339-Y518 HydrophobicContact CG1-CE1 3.79Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.07Å; V339-Y518 HydrophobicContact CG2-CD2 4.11Å; V339-Y518 HydrophobicContact CG2-CE2 4.49Å; V339-Y518 HydrophobicContact CG2-CG 4.41Å; L485-Y518 WeakPolarHBondContact CD1-OH 3.32Å; E514-Y518 HydrophobicContact CG-CD2 4.08Å; E514-Y518 HydrophobicContact CG-CE1 4.06Å; E514-Y518 HydrophobicContact CG-CE2 3.51Å; E514-Y518 PolarHBondContact O-N 2.83Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.44Å; E514-Y518 PolarHBondContact OE1-OH 2.86Å; Y516-Y518 PolarHBondContact O-N 3.03Å; Y518-Q520 VanDerWaalsContact C-N 3.31Å; Y518-Q520 PolarHBondContact O-N 3.46Å; Y518-I521 PolarHBondContact O-N 3.26Å; Y518-F522 WeakPolarHBondContact O-CB 3.16Å; Y518-F522 PolarHBondContact O-N 2.78Å |
| 519 | R | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.1 | -176.8 | 57.5 | 176.7 | -76 | -8.7 | 112.4 | F505 F507 N508 G515 Y516 Y517 F522 E523 | F505-R519 HydrophobicContact CD1-CG 3.93Å; F505-R519 HydrophobicContact CD2-CG 3.91Å; F505-R519 HydrophobicContact CE1-CG 4.05Å; F505-R519 HydrophobicContact CE2-CB 4.42Å; F505-R519 HydrophobicContact CE2-CG 3.99Å; F505-R519 HydrophobicContact CG-CG 3.86Å; F505-R519 HydrophobicContact CZ-CG 4.06Å; F507-R519 PolarHBondContact O-NH1 3.19Å; F507-R519 PolarHBondContact O-NH2 3.38Å; N508-R519 PolarHBondContact O-NH1 2.72Å; G515-R519 WeakPolarHBondContact O-CB 3.32Å; G515-R519 PolarHBondContact O-N 2.92Å; Y516-R519 PolarHBondContact O-N 2.83Å; Y517-R519 VanDerWaalsContact C-N 3.35Å; Y517-R519 PolarHBondContact O-N 3.1Å; R519-F522 PolarHBondContact O-N 3.37Å; R519-E523 HydrophobicContact CG-CG 4.29Å; R519-E523 IonicContact CZ-OE1 3.56Å; R519-E523 VanDerWaalsContact CZ-OE1 3.27Å; R519-E523 IonicContact NE-OE1 2.88Å; R519-E523 PolarHBondContact NE-OE1 2.8Å; R519-E523 IonicContact NH2-OE1 3.46Å; R519-E523 PolarHBondContact NH2-OE1 2.79Å; R519-E523 WeakPolarHBondContact O-CB 3.32Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.47Å; R519-E523 PolarHBondContact O-N 2.92Å |
| 520 | Q | 98.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.6 | -75.4 | -179.3 | -80 | 0 | 0 | 112.6 | F505 Y516 Y517 Y518 F522 R524 | F505-Q520 HydrophobicContact CE2-CG 4.25Å; F505-Q520 HydrophobicContact CZ-CG 3.96Å; Y516-Q520 HydrophobicContact CD1-CG 3.68Å; Y516-Q520 VanDerWaalsContact CD1-OE1 3.22Å; Y516-Q520 HydrophobicContact CE1-CG 3.53Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.31Å; Y517-Q520 WeakPolarHBondContact O-CB 3.43Å; Y517-Q520 PolarHBondContact O-N 3.24Å; Y518-Q520 VanDerWaalsContact C-N 3.31Å; Y518-Q520 PolarHBondContact O-N 3.46Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; Q520-R524 WeakPolarHBondContact O-CB 3.41Å; Q520-R524 PolarHBondContact O-N 2.94Å |
| 521 | I | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 176.5 | -66.1 | 172.8 | 0 | 0 | 0 | 109.8 | L324 D325 I328 Y517 Y518 R524 H525 | L324-I521 HydrophobicContact CB-CD1 4.47Å; D325-I521 WeakPolarHBondContact OD1-CG2 3.27Å; I328-I521 HydrophobicContact CB-CG2 3.75Å; I328-I521 HydrophobicContact CD1-CB 3.81Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.41Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.36Å; I328-I521 HydrophobicContact CG2-CB 4.29Å; I328-I521 HydrophobicContact CG2-CG2 3.72Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.45Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.45Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.16Å; Y517-I521 VanDerWaalsContact O-N 3.14Å; Y518-I521 PolarHBondContact O-N 3.26Å; I521-R524 WeakPolarHBondContact O-CB 3.46Å; I521-R524 PolarHBondContact O-N 3.08Å; I521-H525 PolarHBondContact O-CD2 3.45Å; I521-H525 VanDerWaalsContact O-CD2 3.32Å; I521-H525 PolarHBondContact O-N 2.72Å |
| 522 | F | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -50.6 | 177.2 | 175.3 | -90.2 | 0 | 0 | 0 | 112 | I328 E332 Y334 Y518 R519 Q520 R524 H525 Y526 R529 A530 W532 | I328-F522 HydrophobicContact CG2-CB 3.99Å; E332-F522 WeakPolarHBondContact O-CE2 3.46Å; Y334-F522 HydrophobicContact CD1-CB 4.32Å; Y334-F522 AromaticContact CD1-CD1 3.62Å; Y334-F522 HydrophobicContact CD1-CD1 3.62Å; Y334-F522 AromaticContact CD1-CD2 3.97Å; Y334-F522 HydrophobicContact CD1-CD2 3.97Å; Y334-F522 AromaticContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE1 3.89Å; Y334-F522 HydrophobicContact CD1-CE2 4.2Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.16Å; Y334-F522 HydrophobicContact CE1-CD1 4.23Å; Y334-F522 HydrophobicContact CE1-CE1 4.1Å; Y334-F522 HydrophobicContact CE1-CZ 4.38Å; Y334-F522 HydrophobicContact CG-CB 4.5Å; Y334-F522 HydrophobicContact CG-CD1 4.47Å; Y334-F522 HydrophobicContact CG-CG 4.32Å; Y518-F522 WeakPolarHBondContact O-CB 3.16Å; Y518-F522 PolarHBondContact O-N 2.78Å; R519-F522 PolarHBondContact O-N 3.37Å; Q520-F522 VanDerWaalsContact C-N 3.34Å; F522-R524 PolarHBondContact O-N 3.49Å; F522-H525 PolarHBondContact O-N 2.82Å; F522-H525 VanDerWaalsContact O-N 3.13Å; F522-Y526 AromaticContact CD2-CD2 3.87Å; F522-Y526 HydrophobicContact CD2-CD2 3.87Å; F522-Y526 AromaticContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CG 4.28Å; F522-Y526 HydrophobicContact CZ-CD2 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.4Å; F522-Y526 PolarHBondContact O-N 2.65Å; F522-R529 HydrophobicContact CE1-CB 4.29Å; F522-R529 HydrophobicContact CZ-CB 4.03Å; F522-R529 WeakPolarHBondContact CZ-O 3.3Å; F522-A530 HydrophobicContact CE1-CB 4.29Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.37Å; F522-W532 AromaticContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å |
| 523 | E | 98.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.7 | -21.9 | -179.8 | -68.2 | -78.3 | -177.8 | 0 | 0 | 112.9 | F505 R519 P527 G528 | F505-E523 HydrophobicContact CD1-CG 4.25Å; F505-E523 HydrophobicContact CE1-CB 4.41Å; F505-E523 HydrophobicContact CE1-CG 3.8Å; R519-E523 HydrophobicContact CG-CG 4.29Å; R519-E523 IonicContact CZ-OE1 3.56Å; R519-E523 VanDerWaalsContact CZ-OE1 3.27Å; R519-E523 IonicContact NE-OE1 2.88Å; R519-E523 PolarHBondContact NE-OE1 2.8Å; R519-E523 IonicContact NH2-OE1 3.46Å; R519-E523 PolarHBondContact NH2-OE1 2.79Å; R519-E523 WeakPolarHBondContact O-CB 3.32Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.47Å; R519-E523 PolarHBondContact O-N 2.92Å; E523-P527 VanDerWaalsContact O-CA 3.26Å; E523-P527 WeakPolarHBondContact O-CA 3.27Å; E523-P527 WeakPolarHBondContact O-CB 3.13Å; E523-G528 PolarHBondContact OE2-N 2.82Å |
| 524 | R | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 31.9 Ų | 31.9 | 62% | 0.619 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -69.2 | -40.4 | 171.4 | 178.4 | 170.7 | 64.7 | -166.2 | -0.3 | 111.9 | D325 Q520 I521 F522 | D325-R524 IonicContact OD1-CZ 2.99Å; D325-R524 IonicContact OD1-NE 3.76Å; D325-R524 IonicContact OD1-NH2 2.68Å; D325-R524 PolarHBondContact OD1-NH2 2.83Å; Q520-R524 WeakPolarHBondContact O-CB 3.41Å; Q520-R524 PolarHBondContact O-N 2.94Å; I521-R524 WeakPolarHBondContact O-CB 3.46Å; I521-R524 PolarHBondContact O-N 3.08Å; F522-R524 PolarHBondContact O-N 3.49Å |
| 525 | H | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -84.2 | -37 | 178.8 | -69.7 | -58.4 | 0 | 0 | 0 | 112.8 | D325 F329 I521 F522 | D325-H525 VanDerWaalsContact CG-NE2 3.3Å; D325-H525 IonicContact OD1-CD2 3.68Å; D325-H525 IonicContact OD1-CE1 2.73Å; D325-H525 IonicContact OD1-NE2 2.65Å; D325-H525 PolarHBondContact OD1-NE2 2.91Å; D325-H525 IonicContact OD2-CE1 2.82Å; D325-H525 IonicContact OD2-NE2 2.85Å; D325-H525 PolarHBondContact OD2-NE2 3.22Å; F329-H525 HydrophobicContact CD2-CB 4.32Å; F329-H525 AromaticContact CD2-CG 3.99Å; F329-H525 AromaticContact CD2-ND1 3.79Å; I521-H525 PolarHBondContact O-CD2 3.45Å; I521-H525 VanDerWaalsContact O-CD2 3.32Å; I521-H525 PolarHBondContact O-N 2.72Å; F522-H525 PolarHBondContact O-N 2.82Å; F522-H525 VanDerWaalsContact O-N 3.13Å |
| 526 | Y | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -132.3 | 64 | -170.6 | -53.5 | -63.1 | 0 | 0 | 0 | 111.2 | K162 V165 F329 E332 F522 G528 R529 W532 | K162-Y526 HydrophobicContact CB-CE1 3.95Å; K162-Y526 WeakPolarHBondContact CE-OH 3.11Å; V165-Y526 HydrophobicContact CG1-CD1 4.35Å; V165-Y526 HydrophobicContact CG2-CD1 4.41Å; V165-Y526 HydrophobicContact CG2-CE1 4.49Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.27Å; F329-Y526 PolarHBondContact O-OH 3.05Å; E332-Y526 HydrophobicContact CB-CE2 4.18Å; E332-Y526 HydrophobicContact CG-CE2 4Å; F522-Y526 AromaticContact CD2-CD2 3.87Å; F522-Y526 HydrophobicContact CD2-CD2 3.87Å; F522-Y526 AromaticContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CD2 3.75Å; F522-Y526 HydrophobicContact CE2-CG 4.28Å; F522-Y526 HydrophobicContact CZ-CD2 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.4Å; F522-Y526 PolarHBondContact O-N 2.65Å; Y526-G528 PolarHBondContact O-N 3.29Å; Y526-R529 WeakPolarHBondContact O-CB 3.48Å; Y526-R529 WeakPolarHBondContact O-CG 3.41Å; Y526-R529 PolarHBondContact O-N 2.76Å; Y526-W532 AromaticContact CD1-CH2 3.68Å; Y526-W532 HydrophobicContact CD1-CH2 3.68Å; Y526-W532 AromaticContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD2-CZ3 4.12Å; Y526-W532 HydrophobicContact CE1-CH2 4.33Å; Y526-W532 HydrophobicContact CE1-CZ3 4.26Å; Y526-W532 AromaticContact CG-CH2 4Å; Y526-W532 HydrophobicContact CG-CH2 4Å; Y526-W532 AromaticContact CG-CZ3 3.64Å; Y526-W532 HydrophobicContact CG-CZ3 3.64Å |
| 527 | P | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 57% | 0.565 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 125.8 | -175.6 | 24.3 | -34.3 | 0 | 0 | 0 | 111.5 | E523 R529 | E523-P527 VanDerWaalsContact O-CA 3.26Å; E523-P527 WeakPolarHBondContact O-CA 3.27Å; E523-P527 WeakPolarHBondContact O-CB 3.13Å; P527-R529 VanDerWaalsContact C-N 3.34Å; P527-R529 PolarHBondContact O-N 2.75Å |
| 528 | G | 96.8 | Very high | 97.5 | Very high | 48 Ų | 48 | 39 Ų | 39 | 50% | 0.495 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E523 Y526 | E523-G528 PolarHBondContact OE2-N 2.82Å; Y526-G528 PolarHBondContact O-N 3.29Å |
| 529 | R | 98.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 6% | 0.06 | 21% | 0.206 | C | C | . | . | trans | -107.9 | 18 | -177 | -56.2 | -56 | -176 | 164.7 | 3.2 | 114.3 | F174 L175 F522 Y526 P527 D531 W532 | F174-R529 VanDerWaalsContact CE1-NH1 3.34Å; L175-R529 VanDerWaalsContact O-CZ 3.24Å; L175-R529 PolarHBondContact O-NH1 2.87Å; L175-R529 PolarHBondContact O-NH2 3.07Å; F522-R529 HydrophobicContact CE1-CB 4.29Å; F522-R529 HydrophobicContact CZ-CB 4.03Å; F522-R529 WeakPolarHBondContact CZ-O 3.3Å; Y526-R529 WeakPolarHBondContact O-CB 3.48Å; Y526-R529 WeakPolarHBondContact O-CG 3.41Å; Y526-R529 PolarHBondContact O-N 2.76Å; P527-R529 VanDerWaalsContact C-N 3.34Å; P527-R529 PolarHBondContact O-N 2.75Å; R529-D531 PolarHBondContact O-N 3.41Å; R529-D531 VanDerWaalsContact O-N 3.1Å; R529-W532 HydrophobicContact CB-CD2 3.88Å; R529-W532 HydrophobicContact CB-CE3 4.03Å; R529-W532 HydrophobicContact CB-CH2 3.81Å; R529-W532 HydrophobicContact CB-CZ2 3.65Å; R529-W532 HydrophobicContact CB-CZ3 4Å; R529-W532 HydrophobicContact CG-CH2 3.82Å; R529-W532 HydrophobicContact CG-CZ2 3.6Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.78Å | ||
| 530 | A | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -64.4 | -18.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y334 F507 F522 W532 L533 | Y334-A530 HydrophobicContact CE1-CB 3.87Å; Y334-A530 WeakPolarHBondContact CE1-O 3.4Å; Y334-A530 PolarHBondContact OH-O 3.25Å; F507-A530 HydrophobicContact CD1-CB 3.88Å; F507-A530 VanDerWaalsContact CE1-O 3.32Å; F507-A530 WeakPolarHBondContact CE1-O 3.36Å; F522-A530 HydrophobicContact CE1-CB 4.29Å; A530-W532 PolarHBondContact O-N 3.46Å; A530-L533 PolarHBondContact O-N 2.88Å; A530-L533 VanDerWaalsContact O-O 3.13Å |
| 531 | D | 97.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -71.4 | -10.8 | 178 | 64.7 | -20.2 | 0 | 0 | 0 | 114.1 | F507 R529 L533 | F507-D531 HydrophobicContact CE1-CB 4.37Å; F507-D531 HydrophobicContact CZ-CB 4.31Å; R529-D531 PolarHBondContact O-N 3.41Å; R529-D531 VanDerWaalsContact O-N 3.1Å; D531-L533 PolarHBondContact O-N 3.33Å |
| 532 | W | 98.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 45 Ų | 45 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -60.9 | -28 | 168.3 | -64.1 | -12 | 0 | 0 | 0 | 112.9 | F146 A161 V165 V177 E332 F522 Y526 R529 A530 | F146-W532 HydrophobicContact CE1-CG 4.48Å; A161-W532 HydrophobicContact CB-CD2 4.31Å; A161-W532 HydrophobicContact CB-CE3 4.13Å; A161-W532 HydrophobicContact CB-CH2 3.33Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.66Å; V165-W532 HydrophobicContact CG1-CH2 3.45Å; V165-W532 VanDerWaalsContact CG1-CH2 3.45Å; V165-W532 HydrophobicContact CG1-CZ2 3.63Å; V177-W532 HydrophobicContact CB-CZ2 4.03Å; V177-W532 HydrophobicContact CG1-CZ2 3.99Å; V177-W532 PolarHBondContact O-NE1 3.17Å; E332-W532 HydrophobicContact CB-CE3 4.11Å; E332-W532 HydrophobicContact CB-CZ3 3.99Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.37Å; F522-W532 AromaticContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CE3 3.98Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å; Y526-W532 AromaticContact CD1-CH2 3.68Å; Y526-W532 HydrophobicContact CD1-CH2 3.68Å; Y526-W532 AromaticContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD1-CZ3 3.71Å; Y526-W532 HydrophobicContact CD2-CZ3 4.12Å; Y526-W532 HydrophobicContact CE1-CH2 4.33Å; Y526-W532 HydrophobicContact CE1-CZ3 4.26Å; Y526-W532 AromaticContact CG-CH2 4Å; Y526-W532 HydrophobicContact CG-CH2 4Å; Y526-W532 AromaticContact CG-CZ3 3.64Å; Y526-W532 HydrophobicContact CG-CZ3 3.64Å; R529-W532 HydrophobicContact CB-CD2 3.88Å; R529-W532 HydrophobicContact CB-CE3 4.03Å; R529-W532 HydrophobicContact CB-CH2 3.81Å; R529-W532 HydrophobicContact CB-CZ2 3.65Å; R529-W532 HydrophobicContact CB-CZ3 4Å; R529-W532 HydrophobicContact CG-CH2 3.82Å; R529-W532 HydrophobicContact CG-CZ2 3.6Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.78Å; A530-W532 PolarHBondContact O-N 3.46Å |
| 533 | L | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -104.7 | 111.2 | 169.8 | -178.2 | 68.5 | 0 | 0 | 0 | 108.6 | Y334 D335 F400 F507 N508 A530 D531 H535 | Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 3.9Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.77Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; Y334-L533 PolarHBondContact OH-O 3.31Å; D335-L533 HydrophobicContact CB-CD1 4.47Å; D335-L533 HydrophobicContact CB-CD2 3.84Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.38Å; F507-L533 WeakPolarHBondContact CE1-O 3.43Å; N508-L533 PolarHBondContact ND2-O 3.05Å; A530-L533 PolarHBondContact O-N 2.88Å; A530-L533 VanDerWaalsContact O-O 3.13Å; D531-L533 PolarHBondContact O-N 3.33Å; L533-H535 WeakPolarHBondContact CD1-O 3.34Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3.39Å |
| 534 | S | 97.2 | Very high | 94 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 27% | 0.27 | S | S | . | . | trans | -67.5 | -37.3 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | N508 | N508-S534 PolarHBondContact ND2-O 3.17Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å | ||
| 535 | H | 96.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -156.1 | 155.2 | -176.4 | 52.6 | -86.9 | 0 | 0 | 0 | 111.7 | E396 F400 L533 | E396-H535 VanDerWaalsContact CD-CE1 3.45Å; E396-H535 IonicContact OE1-CE1 2.94Å; E396-H535 PolarHBondContact OE1-CE1 3.29Å; E396-H535 IonicContact OE1-NE2 3.57Å; E396-H535 PolarHBondContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CD2 3.9Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.78Å; E396-H535 IonicContact OE2-NE2 2.73Å; E396-H535 PolarHBondContact OE2-NE2 3.35Å; F400-H535 AromaticContact CE2-NE2 3.75Å; F400-H535 AromaticContact CZ-CD2 3.73Å; F400-H535 AromaticContact CZ-NE2 3.69Å; L533-H535 WeakPolarHBondContact CD1-O 3.34Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3.39Å |
| 536 | Y | 95.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | trans | -68.6 | 144 | 167.2 | -68 | -84 | 0 | 0 | 0 | 110.4 | Y334 D335 N508 M538 | Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.71Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.42Å; Y334-Y536 HydrophobicContact CE2-CE1 4Å; Y334-Y536 HydrophobicContact CE2-CE2 4.24Å; Y334-Y536 AromaticContact CE2-CZ 3.62Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.46Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.4Å; N508-Y536 HydrophobicContact CB-CE2 3.99Å; N508-Y536 WeakPolarHBondContact O-CE2 3.37Å; N508-Y536 PolarHBondContact O-OH 3.16Å; N508-Y536 VanDerWaalsContact O-OH 3.12Å; Y536-M538 PolarHBondContact O-N 3.32Å | ||
| 537 | W | 93.8 | Very high | 90.7 | Very high | 21 Ų | 21 | 48 Ų | 48 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | trans | -64.7 | 127 | 170.1 | -171.6 | 96 | 0 | 0 | 0 | 109.1 | D335 T337 Y374 Y376 F400 P547 | D335-W537 PolarHBondContact OD1-N 3Å; T337-W537 HydrophobicContact CG2-CD2 4.46Å; T337-W537 HydrophobicContact CG2-CE3 4.26Å; Y374-W537 HydrophobicContact CD1-CZ2 4.43Å; Y374-W537 HydrophobicContact CD2-CZ2 4.28Å; Y374-W537 HydrophobicContact CE1-CZ2 4.32Å; Y374-W537 HydrophobicContact CE2-CZ2 4.18Å; Y374-W537 HydrophobicContact CG-CZ2 4.42Å; Y376-W537 HydrophobicContact CE1-CH2 4.45Å; Y376-W537 HydrophobicContact CE1-CZ2 4.35Å; F400-W537 HydrophobicContact CD1-CB 3.76Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.72Å; F400-W537 HydrophobicContact CE1-CB 3.59Å; F400-W537 HydrophobicContact CE1-CG 4.49Å; F400-W537 HydrophobicContact CE2-CB 4.42Å; F400-W537 HydrophobicContact CG-CB 4.26Å; F400-W537 AromaticContact CG-CD1 3.81Å; F400-W537 HydrophobicContact CG-CG 4.43Å; F400-W537 HydrophobicContact CZ-CB 3.94Å; W537-P547 HydrophobicContact CE3-CB 3.73Å; W537-P547 HydrophobicContact CZ3-CB 4.08Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.47Å | ||
| 538 | M | 91.2 | Very high | 89.3 | Confident | 62 Ų | 62 | 44.2 Ų | 44.2 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | trans | -143.5 | 140.3 | 179.1 | -67.2 | -60.9 | -62.7 | 0 | 0 | 110.6 | Y536 A544 P547 | Y536-M538 PolarHBondContact O-N 3.32Å; M538-A544 HydrophobicContact CE-CB 4.01Å; M538-A544 WeakPolarHBondContact CE-O 3.33Å; M538-P547 HydrophobicContact SD-CB 3.98Å; M538-P547 HydrophobicContact SD-CG 4.47Å | ||
| 539 | P | 89.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | trans | -68.2 | 137.9 | 175.8 | 28.6 | -34.3 | 0 | 0 | 0 | 111.2 | Y376 A544 | Y376-P539 HydrophobicContact CD1-CB 3.64Å; Y376-P539 HydrophobicContact CD2-CB 4.46Å; Y376-P539 HydrophobicContact CE1-CB 4.24Å; Y376-P539 HydrophobicContact CG-CB 3.76Å; P539-A544 HydrophobicContact CG-CB 3.94Å | ||
| 540 | K | 90.5 | Very high | 85.8 | Confident | 76 Ų | 76 | 46 Ų | 46 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 164.8 | 172.7 | -103.7 | -163.1 | -168.3 | 156.3 | 0 | 112.3 | Y376 E389 I542 | Y376-K540 HydrophobicContact CD2-CB 4.06Å; Y376-K540 WeakPolarHBondContact CD2-O 3.03Å; Y376-K540 HydrophobicContact CE2-CB 3.78Å; E389-K540 HydrophobicContact CG-CD 4.41Å; E389-K540 WeakPolarHBondContact OE2-CD 3.27Å; E389-K540 WeakPolarHBondContact OE2-CE 3.44Å; E389-K540 IonicContact OE2-NZ 3.8Å; E389-K540 PolarHBondContact OE2-NZ 3.41Å; K540-I542 PolarHBondContact O-N 3.02Å |
| 541 | W | 92.8 | Very high | 83.8 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 12.9 | 176.5 | -43.8 | -63.9 | 0 | 0 | 0 | 115.3 | Y376 F377 K379 A380 P381 E385 E389 | Y376-W541 AromaticContact CD2-CE3 3.69Å; Y376-W541 HydrophobicContact CD2-CE3 3.69Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.19Å; Y376-W541 AromaticContact CE2-CZ3 3.86Å; Y376-W541 HydrophobicContact CE2-CZ3 3.86Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CD1-CZ3 3.99Å; F377-W541 HydrophobicContact CE1-CH2 4.27Å; F377-W541 HydrophobicContact CE1-CZ3 4.43Å; K379-W541 HydrophobicContact CB-CB 4.3Å; A380-W541 HydrophobicContact CB-CE3 4.05Å; A380-W541 HydrophobicContact CB-CH2 3.52Å; A380-W541 HydrophobicContact CB-CZ2 4.02Å; A380-W541 HydrophobicContact CB-CZ3 3.54Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.48Å; E385-W541 HydrophobicContact CB-CZ2 3.99Å; E385-W541 PolarHBondContact OE2-NE1 3.06Å; E389-W541 HydrophobicContact CB-CH2 3.82Å; E389-W541 HydrophobicContact CB-CZ2 4.17Å; E389-W541 HydrophobicContact CG-CH2 3.99Å |
| 542 | I | 84.4 | Confident | 81.8 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -130.7 | 133.2 | 177.7 | -55.4 | 179.1 | 0 | 0 | 0 | 108.3 | K379 K540 A544 L552 | K379-I542 HydrophobicContact CD-CD1 3.91Å; K379-I542 HydrophobicContact CD-CG1 3.68Å; K540-I542 PolarHBondContact O-N 3.02Å; I542-A544 HydrophobicContact CG2-CB 4.3Å; I542-A544 PolarHBondContact O-N 2.91Å; I542-L552 HydrophobicContact CB-CD2 4.4Å; I542-L552 HydrophobicContact CD1-CD1 3.77Å; I542-L552 HydrophobicContact CD1-CD2 3.62Å; I542-L552 HydrophobicContact CD1-CG 4.28Å; I542-L552 HydrophobicContact CG2-CD2 3.6Å |
| 543 | N | 81.4 | Confident | 79.5 | Confident | 170 Ų | 170 | 50.6 Ų | 50.6 | 91% | 0.909 | 27% | 0.271 | S | S | * | . | trans | -77.3 | 76.4 | 171.1 | -167.9 | 24.3 | 0 | 0 | 0 | 110 | ||||
| 544 | A | 79.8 | Confident | 77.2 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | trans | -102.6 | 138.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M538 P539 I542 | M538-A544 HydrophobicContact CE-CB 4.01Å; M538-A544 WeakPolarHBondContact CE-O 3.33Å; P539-A544 HydrophobicContact CG-CB 3.94Å; I542-A544 HydrophobicContact CG2-CB 4.3Å; I542-A544 PolarHBondContact O-N 2.91Å | ||
| 545 | T | 73.9 | Confident | 74.9 | Confident | 112 Ų | 112 | 54.6 Ų | 54.6 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -102.9 | -17.6 | 172.2 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 546 | D | 78.5 | Confident | 72.3 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -121.8 | 140.4 | 171.5 | -173.5 | -79.6 | 0 | 0 | 0 | 108.3 | R340 S548 T551 | R340-D546 IonicContact CZ-OD1 3.33Å; R340-D546 IonicContact CZ-OD2 2.81Å; R340-D546 IonicContact NH1-OD1 2.67Å; R340-D546 PolarHBondContact NH1-OD1 3.17Å; R340-D546 IonicContact NH1-OD2 2.73Å; R340-D546 IonicContact NH2-OD1 3.54Å; R340-D546 PolarHBondContact NH2-OD1 2.96Å; R340-D546 IonicContact NH2-OD2 3.51Å; R340-D546 PolarHBondContact NH2-OD2 3.38Å; D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 WeakPolarHBondContact OD1-CA 3.35Å; D546-S548 WeakPolarHBondContact OD1-CB 3.11Å; D546-S548 PolarHBondContact OD1-N 3.08Å; D546-T551 HydrophobicContact CB-CG2 4.25Å |
| 547 | P | 73.8 | Confident | 69.3 | Low | 10 Ų | 10 | 60.5 Ų | 60.5 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | trans | -75.7 | -6.2 | -178.6 | 30.6 | -36.3 | 0 | 0 | 0 | 114.6 | I336 T337 W537 M538 A549 | I336-P547 HydrophobicContact CB-CG 4.02Å; I336-P547 HydrophobicContact CG2-CG 4.04Å; T337-P547 WeakPolarHBondContact OG1-CB 3.35Å; T337-P547 WeakPolarHBondContact OG1-CG 3.45Å; W537-P547 HydrophobicContact CE3-CB 3.73Å; W537-P547 HydrophobicContact CZ3-CB 4.08Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.47Å; M538-P547 HydrophobicContact SD-CB 3.98Å; M538-P547 HydrophobicContact SD-CG 4.47Å; P547-A549 PolarHBondContact O-N 3.12Å | ||
| 548 | S | 67.9 | Low | 66.5 | Low | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | trans | -62.9 | 128.2 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | D546 R550 T551 | D546-S548 PolarHBondContact O-N 3.4Å; D546-S548 WeakPolarHBondContact OD1-CA 3.35Å; D546-S548 WeakPolarHBondContact OD1-CB 3.11Å; D546-S548 PolarHBondContact OD1-N 3.08Å; S548-R550 PolarHBondContact O-N 3.06Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.44Å; S548-R550 WeakPolarHBondContact OG-CG 3.34Å; S548-R550 PolarHBondContact OG-N 3Å; S548-R550 VanDerWaalsContact OG-N 3.1Å; S548-T551 PolarHBondContact O-N 3.34Å; S548-T551 PolarHBondContact O-OG1 3.44Å | ||
| 549 | A | 61.4 | Low | 63.6 | Low | 19 Ų | 19 | 63.8 Ų | 63.8 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -61.4 | -18.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | P547 T551 L552 Y555 | P547-A549 PolarHBondContact O-N 3.12Å; A549-T551 PolarHBondContact O-N 2.82Å; A549-L552 HydrophobicContact CB-CD1 4.24Å; A549-L552 WeakPolarHBondContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CG 3.3Å; A549-L552 PolarHBondContact O-N 3.31Å; A549-Y555 HydrophobicContact CB-CD2 3.71Å; A549-Y555 HydrophobicContact CB-CE2 3.32Å; A549-Y555 WeakPolarHBondContact O-CD2 3.46Å |
| 550 | R | 62.1 | Low | 60.5 | Low | 81 Ų | 81 | 72.3 Ų | 72.3 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -64.9 | -23.4 | 176.2 | -62.8 | -174.3 | -179.7 | -130.7 | -7.1 | 113.8 | D472 T475 S480 S548 L552 | D472-R550 PolarHBondContact O-NH2 2.92Å; D472-R550 IonicContact OD1-CZ 3Å; D472-R550 IonicContact OD1-NE 2.78Å; D472-R550 PolarHBondContact OD1-NE 2.95Å; D472-R550 IonicContact OD1-NH2 3.14Å; T475-R550 PolarHBondContact OG1-NH2 3.41Å; S480-R550 PolarHBondContact OG-NH1 2.85Å; S548-R550 PolarHBondContact O-N 3.06Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.44Å; S548-R550 WeakPolarHBondContact OG-CG 3.34Å; S548-R550 PolarHBondContact OG-N 3Å; S548-R550 VanDerWaalsContact OG-N 3.1Å; R550-L552 PolarHBondContact O-N 2.54Å |
| 551 | T | 54.3 | Low | 57.4 | Low | 76 Ų | 76 | 76 Ų | 76 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -77.1 | -10.3 | 175.2 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | D546 S548 A549 | D546-T551 HydrophobicContact CB-CG2 4.25Å; S548-T551 PolarHBondContact O-N 3.34Å; S548-T551 PolarHBondContact O-OG1 3.44Å; A549-T551 PolarHBondContact O-N 2.82Å |
| 552 | L | 57.4 | Low | 55.7 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -84.8 | 131.9 | -176.5 | -52.6 | -176.6 | 0 | 0 | 0 | 111.8 | I542 A549 R550 H554 Y555 | I542-L552 HydrophobicContact CB-CD2 4.4Å; I542-L552 HydrophobicContact CD1-CD1 3.77Å; I542-L552 HydrophobicContact CD1-CD2 3.62Å; I542-L552 HydrophobicContact CD1-CG 4.28Å; I542-L552 HydrophobicContact CG2-CD2 3.6Å; A549-L552 HydrophobicContact CB-CD1 4.24Å; A549-L552 WeakPolarHBondContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CG 3.3Å; A549-L552 PolarHBondContact O-N 3.31Å; R550-L552 PolarHBondContact O-N 2.54Å; L552-H554 PolarHBondContact O-N 2.72Å; L552-H554 VanDerWaalsContact O-N 3.15Å; L552-Y555 WeakPolarHBondContact O-CB 3.15Å; L552-Y555 PolarHBondContact O-N 3.39Å; L552-Y555 VanDerWaalsContact O-N 3.09Å |
| 553 | T | 50.5 | Low | 54.2 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 67% | 0.669 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.9 | -31.8 | -178.3 | -27.7 | 0 | 0 | 0 | 0 | 113.5 | Y555 K556 | T553-Y555 VanDerWaalsContact C-N 3.34Å; T553-Y555 PolarHBondContact O-N 2.79Å; T553-K556 PolarHBondContact O-N 2.65Å |
| 554 | H | 49.8 | Very low | 52.6 | Low | 96 Ų | 96 | 73.5 Ų | 73.5 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.7 | -23.9 | 179 | -77.8 | -52.5 | 0 | 0 | 0 | 114.3 | I375 L552 K556 S557 A558 | I375-H554 HydrophobicContact CG2-CB 4.3Å; L552-H554 PolarHBondContact O-N 2.72Å; L552-H554 VanDerWaalsContact O-N 3.15Å; H554-K556 PolarHBondContact O-N 3.06Å; H554-S557 WeakPolarHBondContact CA-OG 3.35Å; H554-S557 PolarHBondContact O-N 3.06Å; H554-S557 PolarHBondContact O-OG 3.16Å; H554-A558 PolarHBondContact O-N 3.48Å |
| 555 | Y | 48.5 | Very low | 51 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 19% | 0.192 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.3 | -32 | 172.5 | -115.8 | -95.3 | 0 | 0 | 0 | 111.4 | I375 K467 E468 A469 A549 L552 T553 | I375-Y555 HydrophobicContact CG1-CD2 4.32Å; I375-Y555 HydrophobicContact CG1-CE2 3.8Å; K467-Y555 PolarHBondContact O-OH 3.03Å; E468-Y555 WeakPolarHBondContact CA-OH 3.47Å; A469-Y555 PolarHBondContact N-OH 3.08Å; A549-Y555 HydrophobicContact CB-CD2 3.71Å; A549-Y555 HydrophobicContact CB-CE2 3.32Å; A549-Y555 WeakPolarHBondContact O-CD2 3.46Å; L552-Y555 WeakPolarHBondContact O-CB 3.15Å; L552-Y555 PolarHBondContact O-N 3.39Å; L552-Y555 VanDerWaalsContact O-N 3.09Å; T553-Y555 VanDerWaalsContact C-N 3.34Å; T553-Y555 PolarHBondContact O-N 2.79Å |
| 556 | K | 41.1 | Very low | 49.6 | Very low | 153 Ų | 153 | 74.6 Ų | 74.6 | 67% | 0.665 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -74.3 | -24.6 | 179.1 | -68.6 | -177 | 178.2 | 177.2 | 0 | 113.6 | T553 H554 | T553-K556 PolarHBondContact O-N 2.65Å; H554-K556 PolarHBondContact O-N 3.06Å |
| 557 | S | 33.4 | Very low | 47.7 | Very low | 70 Ų | 70 | 78.7 Ų | 78.7 | 49% | 0.49 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -80.7 | -33 | 178 | 42.7 | 0 | 0 | 0 | 0 | 113 | H554 K560 | H554-S557 WeakPolarHBondContact CA-OG 3.35Å; H554-S557 PolarHBondContact O-N 3.06Å; H554-S557 PolarHBondContact O-OG 3.16Å; S557-K560 PolarHBondContact O-N 3.49Å |
| 558 | A | 34.9 | Very low | 45.8 | Very low | 63 Ų | 63 | 83.6 Ų | 83.6 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.3 | -28.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | H554 K560 | H554-A558 PolarHBondContact O-N 3.48Å; A558-K560 PolarHBondContact O-N 3.03Å |
| 559 | A | 29.4 | Very low | 44.1 | Very low | 89 Ų | 89 | 89.4 Ų | 89.4 | 74% | 0.736 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 2.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 560 | K | 25.4 | Very low | 42.7 | Very low | 192 Ų | 192 | 95.3 Ų | 95.3 | 84% | 0.835 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | 8.5 | -177.8 | -79.5 | -168.7 | 175.4 | -173.4 | 0 | 114.3 | S557 A558 | S557-K560 PolarHBondContact O-N 3.49Å; A558-K560 PolarHBondContact O-N 3.03Å |
| 561 | A | 25.4 | Very low | 40.9 | Very low | 154 Ų | 154 | 96.5 Ų | 96.5 | 100% | 1.273 | 58% | 0.577 | S | S | * | * | trans | -103.9 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 561 of 561 residues in 370.4 ms
(Link to these results)