| 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 | 87.3 | Confident | 95.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | 0 | 156.7 | 0 | -77.5 | -173.9 | -91.1 | 0 | 0 | 108.2 | R27 G28 R143 D406 T409 A410 L414 E415 L416 | M1-R27 CarbonylContact C-O 3.52Å; M1-R27 PolarHBondContact N-O 3.18Å; M1-R27 CarbonylContact O-C 3.59Å; M1-R27 WeakPolarHBondContact O-CA 3.36Å; M1-R27 WeakPolarHBondContact O-CB 3.29Å; M1-G28 PolarHBondContact O-N 3.23Å; M1-R143 PolarHBondContact SD-NH1 3.19Å; M1-D406 HydrophobicContact CE-CB 3.92Å; M1-D406 WeakPolarHBondContact CE-O 3.31Å; M1-D406 WeakPolarHBondContact CE-OD1 3.24Å; M1-T409 VanDerWaalsContact CE-OG1 3.23Å; M1-T409 WeakPolarHBondContact CE-OG1 3.1Å; M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.78Å; M1-L414 WeakPolarHBondContact CG-O 3.42Å; M1-L414 PolarHBondContact N-O 2.86Å; M1-E415 HydrophobicContact CG-CB 4.14Å; M1-E415 HydrophobicContact CG-CG 4.05Å; M1-L416 HydrophobicContact CE-CB 3.94Å; M1-L416 HydrophobicContact SD-CB 4.35Å | |||
| 2 | C | 97.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 15.9 Ų | 15.9 | 10% | 0.095 | 8% | 0.082 | C | C | . | . | trans | -72.7 | 159.5 | 179.1 | -63 | 0 | 0 | 0 | 0 | 112.2 | R27 F47 H48 L50 N75 | C2-R27 PolarHBondContact O-NE 3.33Å; C2-R27 VanDerWaalsContact O-NE 3.1Å; C2-F47 HydrophobicContact CB-CE2 3.57Å; C2-F47 HydrophobicContact CB-CZ 3.47Å; C2-F47 VanDerWaalsContact CB-CZ 3.47Å; C2-F47 VanDerWaalsContact SG-CZ 3.53Å; C2-H48 CarbonylContact C-O 3.38Å; C2-H48 WeakPolarHBondContact CA-O 3.47Å; C2-H48 WeakPolarHBondContact CB-O 3.44Å; C2-L50 PolarHBondContact SG-N 2.99Å; C2-L50 VanDerWaalsContact SG-N 3.36Å; C2-L50 PolarHBondContact SG-O 2.75Å; C2-N75 HydrophobicContact CB-CB 4.14Å; C2-N75 PolarHBondContact N-OD1 3.04Å; C2-N75 PolarHBondContact O-ND2 2.91Å; C2-N75 PolarHBondContact O-OD1 3.25Å | ||
| 3 | G | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F47 H48 | G3-F47 WeakPolarHBondContact O-CA 3.37Å; G3-H48 PolarHBondContact N-O 3.28Å; G3-H48 PolarHBondContact O-N 3.47Å |
| 4 | I | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.5 | 173.1 | 61.7 | 171.3 | 0 | 0 | 0 | 110 | I24 F47 C73 N75 A122 I124 L145 C158 S159 | I4-I24 WeakPolarHBondContact O-CD1 3.41Å; I4-F47 HydrophobicContact CG2-CD2 3.79Å; I4-F47 HydrophobicContact CG2-CE2 3.75Å; I4-C73 HydrophobicContact CB-CB 4.42Å; I4-C73 HydrophobicContact CG2-CB 4.04Å; I4-N75 HydrophobicContact CG2-CB 4.18Å; I4-A122 HydrophobicContact CD1-CB 4.27Å; I4-A122 WeakPolarHBondContact CD1-O 3.48Å; I4-I124 HydrophobicContact CD1-CD1 3.97Å; I4-I124 HydrophobicContact CD1-CG1 4.09Å; I4-I124 HydrophobicContact CG1-CD1 4.43Å; I4-L145 HydrophobicContact CD1-CD1 3.66Å; I4-L145 HydrophobicContact CG1-CD1 4.24Å; I4-C158 CarbonylContact O-C 3.59Å; I4-C158 VanDerWaalsContact O-CA 3.28Å; I4-C158 WeakPolarHBondContact O-CA 2.96Å; I4-S159 VanDerWaalsContact CG1-OG 3.3Å; I4-S159 WeakPolarHBondContact CG1-OG 3.47Å; I4-S159 PolarHBondContact N-OG 3.48Å; I4-S159 PolarHBondContact O-N 2.97Å |
| 5 | W | 98.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.8 | 173.5 | -178.6 | 97.1 | 0 | 0 | 0 | 108.8 | L7 Q17 A21 I24 F34 C44 F45 G46 V157 G163 L167 | W5-L7 HydrophobicContact CH2-CB 4.42Å; W5-L7 HydrophobicContact CH2-CD1 3.26Å; W5-L7 HydrophobicContact CH2-CD2 4.23Å; W5-L7 HydrophobicContact CH2-CG 3.34Å; W5-L7 HydrophobicContact CZ2-CD1 3.46Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.46Å; W5-L7 HydrophobicContact CZ2-CD2 3.85Å; W5-L7 HydrophobicContact CZ2-CG 3.47Å; W5-L7 VanDerWaalsContact CZ2-CG 3.47Å; W5-L7 HydrophobicContact CZ3-CD1 4.2Å; W5-L7 HydrophobicContact CZ3-CG 3.89Å; W5-Q17 HydrophobicContact CH2-CB 4.19Å; W5-Q17 HydrophobicContact CZ2-CB 4.29Å; W5-Q17 WeakPolarHBondContact CZ2-O 3.28Å; W5-A21 HydrophobicContact CB-CB 4.19Å; W5-A21 HydrophobicContact CD2-CB 3.69Å; W5-A21 HydrophobicContact CE3-CB 3.89Å; W5-A21 HydrophobicContact CG-CB 3.86Å; W5-A21 HydrophobicContact CZ3-CB 4.43Å; W5-I24 HydrophobicContact CB-CD1 4.1Å; W5-F34 HydrophobicContact CH2-CE2 4.31Å; W5-F34 AromaticContact CZ3-CE2 3.72Å; W5-F34 HydrophobicContact CZ3-CE2 3.72Å; W5-C44 VanDerWaalsContact CZ3-SG 3.55Å; W5-F45 WeakPolarHBondContact O-CA 3.33Å; W5-G46 PolarHBondContact N-O 2.73Å; W5-G46 PolarHBondContact O-N 2.8Å; W5-V157 CarbonylContact C-O 3.57Å; W5-V157 VanDerWaalsContact CA-O 3.28Å; W5-V157 WeakPolarHBondContact CA-O 3.49Å; W5-G163 PolarHBondContact NE1-O 3.39Å; W5-G163 VanDerWaalsContact NE1-O 3.1Å; W5-L167 HydrophobicContact CZ2-CD2 4.03Å |
| 6 | A | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F8 C44 F45 I124 G156 V157 | A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.46Å; A6-C44 CarbonylContact C-O 3.53Å; A6-C44 WeakPolarHBondContact CA-O 3.39Å; A6-C44 WeakPolarHBondContact CB-O 3.13Å; A6-F45 HydrophobicContact CB-CD1 3.67Å; A6-F45 HydrophobicContact CB-CE1 3.93Å; A6-F45 HydrophobicContact CB-CG 4.31Å; A6-I124 HydrophobicContact CB-CD1 3.72Å; A6-I124 HydrophobicContact CB-CG2 4.39Å; A6-G156 WeakPolarHBondContact O-CA 3.36Å; A6-V157 PolarHBondContact N-O 3Å; A6-V157 PolarHBondContact O-N 2.87Å |
| 7 | L | 97.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.6 | 172 | -59.9 | -177.4 | 0 | 0 | 0 | 110.4 | W5 Q17 C43 C44 F154 L155 L167 | W5-L7 HydrophobicContact CH2-CB 4.42Å; W5-L7 HydrophobicContact CH2-CD1 3.26Å; W5-L7 HydrophobicContact CH2-CD2 4.23Å; W5-L7 HydrophobicContact CH2-CG 3.34Å; W5-L7 HydrophobicContact CZ2-CD1 3.46Å; W5-L7 VanDerWaalsContact CZ2-CD1 3.46Å; W5-L7 HydrophobicContact CZ2-CD2 3.85Å; W5-L7 HydrophobicContact CZ2-CG 3.47Å; W5-L7 VanDerWaalsContact CZ2-CG 3.47Å; W5-L7 HydrophobicContact CZ3-CD1 4.2Å; W5-L7 HydrophobicContact CZ3-CG 3.89Å; L7-Q17 HydrophobicContact CD1-CB 3.85Å; L7-Q17 VanDerWaalsContact CD1-CD 3.48Å; L7-Q17 HydrophobicContact CD1-CG 4.2Å; L7-C43 CarbonylContact O-C 3.55Å; L7-C43 WeakPolarHBondContact O-CA 3.35Å; L7-C44 PolarHBondContact N-O 3.14Å; L7-C44 PolarHBondContact O-N 3.26Å; L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.28Å; L7-F154 HydrophobicContact CD1-CZ 4.4Å; L7-F154 HydrophobicContact CD2-CE2 4.01Å; L7-F154 HydrophobicContact CD2-CZ 3.76Å; L7-F154 HydrophobicContact CG-CE2 4.44Å; L7-L155 CarbonylContact C-O 3.41Å; L7-L155 VanDerWaalsContact CA-O 3.32Å; L7-L155 WeakPolarHBondContact CA-O 3.47Å; L7-L167 HydrophobicContact CD1-CD2 4.39Å; L7-L167 HydrophobicContact CD2-CD1 3.74Å; L7-L167 HydrophobicContact CD2-CD2 4.27Å |
| 8 | F | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.4 | 171.6 | -57.6 | -97.7 | 0 | 0 | 0 | 109.6 | A6 C43 F45 I124 L126 V133 L155 L190 G194 V196 | A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.46Å; F8-C43 HydrophobicContact CD1-CB 4.04Å; F8-F45 HydrophobicContact CE1-CZ 4.27Å; F8-F45 HydrophobicContact CZ-CE1 4.23Å; F8-F45 AromaticContact CZ-CZ 3.8Å; F8-F45 HydrophobicContact CZ-CZ 3.8Å; F8-I124 HydrophobicContact CE2-CG2 3.95Å; F8-I124 HydrophobicContact CZ-CG2 3.87Å; F8-L126 HydrophobicContact CE1-CB 4.26Å; F8-L126 HydrophobicContact CE1-CD1 4.25Å; F8-L126 HydrophobicContact CE1-CD2 4.26Å; F8-L126 HydrophobicContact CE1-CG 4.49Å; F8-V133 HydrophobicContact CD1-CG2 3.67Å; F8-V133 HydrophobicContact CD2-CG1 4.47Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.06Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.89Å; F8-V133 HydrophobicContact CG-CG2 4.34Å; F8-V133 HydrophobicContact CZ-CG1 3.66Å; F8-V133 HydrophobicContact CZ-CG2 4Å; F8-L155 HydrophobicContact CB-CB 4.26Å; F8-L155 HydrophobicContact CD2-CB 4.38Å; F8-L155 HydrophobicContact CD2-CD2 3.67Å; F8-L155 HydrophobicContact CD2-CG 4.21Å; F8-L155 HydrophobicContact CE2-CD2 4.15Å; F8-L155 HydrophobicContact CG-CD2 4.4Å; F8-L155 PolarHBondContact N-O 2.8Å; F8-L155 PolarHBondContact O-N 3.01Å; F8-L190 HydrophobicContact CD1-CD1 4.44Å; F8-G194 CarbonylContact C-O 3.34Å; F8-V196 HydrophobicContact CB-CG1 3.83Å; F8-V196 HydrophobicContact CG-CG1 4.3Å |
| 9 | G | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 73.2 | 39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N42 G194 K195 | G9-N42 PolarHBondContact N-O 3.21Å; G9-G194 VanDerWaalsContact CA-C 3.48Å; G9-G194 WeakPolarHBondContact CA-O 3.49Å; G9-G194 PolarHBondContact N-O 3.46Å; G9-K195 WeakPolarHBondContact O-CD 3.24Å; G9-K195 WeakPolarHBondContact O-CE 3.49Å; G9-K195 PolarHBondContact O-NZ 2.92Å |
| 10 | S | 92.1 | Very high | 89 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | trans | -70.4 | 138 | 174.6 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | E12 Q17 N42 | S10-E12 PolarHBondContact OG-N 3.31Å; S10-Q17 PolarHBondContact OG-NE2 3.16Å; S10-Q17 PolarHBondContact OG-OE1 2.64Å; S10-N42 PolarHBondContact N-O 3.36Å; S10-N42 VanDerWaalsContact N-O 3.09Å; S10-N42 VanDerWaalsContact O-CB 3.25Å; S10-N42 WeakPolarHBondContact O-CB 3.2Å | ||
| 11 | D | 85.8 | Confident | 89.1 | Confident | 84 Ų | 84 | 30.1 Ų | 30.1 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | trans | -94 | -7 | 172.9 | -58.5 | -16.9 | 0 | 0 | 0 | 112 | H169 S170 K195 | D11-H169 IonicContact OD2-CE1 3.64Å; D11-H169 PolarHBondContact OD2-CE1 3.03Å; D11-H169 IonicContact OD2-ND1 3.9Å; D11-H169 IonicContact OD2-NE2 3.96Å; D11-S170 PolarHBondContact OD2-OG 2.98Å; D11-K195 WeakPolarHBondContact OD1-CE 3.49Å; D11-K195 IonicContact OD1-NZ 3.6Å; D11-K195 PolarHBondContact OD1-NZ 2.85Å; D11-K195 IonicContact OD2-NZ 2.82Å; D11-K195 PolarHBondContact OD2-NZ 3.43Å | ||
| 12 | E | 79.5 | Confident | 89.5 | Confident | 88 Ų | 88 | 33.8 Ų | 33.8 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -100.2 | 166.5 | -173.6 | -72.8 | -67.2 | 161.7 | 0 | 0 | 112.4 | S10 L14 Q17 | S10-E12 PolarHBondContact OG-N 3.31Å; E12-L14 PolarHBondContact O-N 3.27Å; E12-Q17 HydrophobicContact CB-CG 4.36Å |
| 13 | C | 76.4 | Confident | 89.4 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 49% | 0.493 | 20% | 0.203 | S | C | . | . | trans | -62.3 | 113.6 | 170.9 | -179 | 0 | 0 | 0 | 0 | 110.2 | S15 V16 Q17 | C13-S15 PolarHBondContact O-N 2.95Å; C13-V16 HydrophobicContact CB-CB 4.5Å; C13-V16 HydrophobicContact CB-CG2 3.98Å; C13-V16 WeakPolarHBondContact O-CB 3.06Å; C13-V16 PolarHBondContact O-N 3.26Å; C13-Q17 PolarHBondContact O-N 2.89Å | ||
| 14 | L | 80.5 | Confident | 89.4 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.7 | -30.3 | 178.6 | -69.8 | -171.6 | 0 | 0 | 0 | 113.3 | E12 V16 Q17 C18 F34 N36 T41 C44 | E12-L14 PolarHBondContact O-N 3.27Å; L14-V16 VanDerWaalsContact C-N 3.28Å; L14-V16 PolarHBondContact O-N 3.37Å; L14-Q17 PolarHBondContact O-N 3.43Å; L14-C18 WeakPolarHBondContact O-CB 3.09Å; L14-C18 PolarHBondContact O-N 3.47Å; L14-F34 HydrophobicContact CB-CZ 4.15Å; L14-N36 HydrophobicContact CD1-CB 3.93Å; L14-T41 WeakPolarHBondContact CD1-O 3.37Å; L14-C44 HydrophobicContact CD1-CB 3.85Å |
| 15 | S | 74.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 38 Ų | 38 | 63% | 0.629 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.7 | -33 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | C13 | C13-S15 PolarHBondContact O-N 2.95Å |
| 16 | V | 80.1 | Confident | 89.3 | Confident | 90 Ų | 90 | 40.5 Ų | 40.5 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.2 | -43 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | C13 L14 C18 L19 | C13-V16 HydrophobicContact CB-CB 4.5Å; C13-V16 HydrophobicContact CB-CG2 3.98Å; C13-V16 WeakPolarHBondContact O-CB 3.06Å; C13-V16 PolarHBondContact O-N 3.26Å; L14-V16 VanDerWaalsContact C-N 3.28Å; L14-V16 PolarHBondContact O-N 3.37Å; V16-C18 VanDerWaalsContact C-N 3.29Å; V16-C18 PolarHBondContact O-N 2.69Å; V16-L19 WeakPolarHBondContact O-CB 3.13Å; V16-L19 PolarHBondContact O-N 3.04Å |
| 17 | Q | 82.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.3 | -22.7 | 179 | -69.5 | 175.1 | -27.3 | 0 | 0 | 113.2 | W5 L7 S10 E12 C13 L14 L19 S20 L167 K168 | W5-Q17 HydrophobicContact CH2-CB 4.19Å; W5-Q17 HydrophobicContact CZ2-CB 4.29Å; W5-Q17 WeakPolarHBondContact CZ2-O 3.28Å; L7-Q17 HydrophobicContact CD1-CB 3.85Å; L7-Q17 VanDerWaalsContact CD1-CD 3.48Å; L7-Q17 HydrophobicContact CD1-CG 4.2Å; S10-Q17 PolarHBondContact OG-NE2 3.16Å; S10-Q17 PolarHBondContact OG-OE1 2.64Å; E12-Q17 HydrophobicContact CB-CG 4.36Å; C13-Q17 PolarHBondContact O-N 2.89Å; L14-Q17 PolarHBondContact O-N 3.43Å; Q17-L19 PolarHBondContact O-N 3.21Å; Q17-S20 WeakPolarHBondContact O-CA 3.45Å; Q17-S20 WeakPolarHBondContact O-CB 3.33Å; Q17-S20 PolarHBondContact O-N 3.49Å; Q17-L167 HydrophobicContact CB-CD2 4.41Å; Q17-L167 HydrophobicContact CG-CD2 4.36Å; Q17-K168 PolarHBondContact NE2-O 3.22Å |
| 18 | C | 83.1 | Confident | 89.4 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 14% | 0.135 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -28.8 | 172.9 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | L14 V16 S20 A21 M22 F34 | L14-C18 WeakPolarHBondContact O-CB 3.09Å; L14-C18 PolarHBondContact O-N 3.47Å; V16-C18 VanDerWaalsContact C-N 3.29Å; V16-C18 PolarHBondContact O-N 2.69Å; C18-S20 PolarHBondContact O-N 3.01Å; C18-A21 WeakPolarHBondContact O-CB 3.22Å; C18-A21 PolarHBondContact O-N 2.99Å; C18-M22 PolarHBondContact O-N 3.16Å; C18-F34 HydrophobicContact CB-CD2 4.18Å; C18-F34 HydrophobicContact CB-CE2 3.83Å; C18-F34 HydrophobicContact CB-CZ 4.09Å; C18-F34 VanDerWaalsContact SG-CD2 3.6Å |
| 19 | L | 87.8 | Confident | 89.4 | Confident | 127 Ų | 127 | 43 Ų | 43 | 67% | 0.665 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.1 | -32.1 | 172.7 | -64.8 | 175.2 | 0 | 0 | 0 | 112.1 | V16 Q17 A21 M22 | V16-L19 WeakPolarHBondContact O-CB 3.13Å; V16-L19 PolarHBondContact O-N 3.04Å; Q17-L19 PolarHBondContact O-N 3.21Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-M22 WeakPolarHBondContact O-CB 3.36Å; L19-M22 PolarHBondContact O-N 3.32Å |
| 20 | S | 88.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 175.6 | -149.2 | 0 | 0 | 0 | 0 | 111.8 | Q17 C18 M22 K23 G163 | Q17-S20 WeakPolarHBondContact O-CA 3.45Å; Q17-S20 WeakPolarHBondContact O-CB 3.33Å; Q17-S20 PolarHBondContact O-N 3.49Å; C18-S20 PolarHBondContact O-N 3.01Å; S20-M22 PolarHBondContact O-N 3.38Å; S20-K23 WeakPolarHBondContact O-CB 3.39Å; S20-K23 PolarHBondContact O-N 3.4Å; S20-G163 PolarHBondContact OG-O 2.84Å |
| 21 | A | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -26.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W5 C18 L19 K23 I24 H48 | W5-A21 HydrophobicContact CB-CB 4.19Å; W5-A21 HydrophobicContact CD2-CB 3.69Å; W5-A21 HydrophobicContact CE3-CB 3.89Å; W5-A21 HydrophobicContact CG-CB 3.86Å; W5-A21 HydrophobicContact CZ3-CB 4.43Å; C18-A21 WeakPolarHBondContact O-CB 3.22Å; C18-A21 PolarHBondContact O-N 2.99Å; L19-A21 VanDerWaalsContact C-N 3.34Å; A21-K23 VanDerWaalsContact C-N 3.29Å; A21-K23 PolarHBondContact O-N 2.63Å; A21-I24 VanDerWaalsContact O-CG1 3.24Å; A21-I24 WeakPolarHBondContact O-CG1 3.43Å; A21-H48 PolarHBondContact O-CD2 3.07Å; A21-H48 VanDerWaalsContact O-CD2 3.32Å; A21-H48 PolarHBondContact O-NE2 3.48Å |
| 22 | M | 95.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 38% | 0.384 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.6 | -20 | 179.2 | -59.8 | -60.2 | 168.1 | 0 | 0 | 113.6 | C18 L19 S20 I24 A25 F32 | C18-M22 PolarHBondContact O-N 3.16Å; L19-M22 WeakPolarHBondContact O-CB 3.36Å; L19-M22 PolarHBondContact O-N 3.32Å; S20-M22 PolarHBondContact O-N 3.38Å; M22-I24 PolarHBondContact O-N 2.92Å; M22-I24 VanDerWaalsContact O-N 3.11Å; M22-A25 VanDerWaalsContact O-CB 3.24Å; M22-A25 WeakPolarHBondContact O-CB 3.44Å; M22-A25 PolarHBondContact O-N 3.17Å; M22-A25 VanDerWaalsContact O-N 3.11Å; M22-F32 HydrophobicContact CE-CD1 3.74Å; M22-F32 HydrophobicContact CE-CE1 3.16Å; M22-F32 HydrophobicContact CE-CE2 4.16Å; M22-F32 HydrophobicContact CE-CG 4.43Å; M22-F32 HydrophobicContact CE-CZ 3.38Å; M22-F32 HydrophobicContact SD-CD1 4.49Å; M22-F32 HydrophobicContact SD-CE1 4.28Å; M22-F32 HydrophobicContact SD-CE2 4.47Å; M22-F32 HydrophobicContact SD-CZ 4.24Å |
| 23 | K | 95.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.8 | 179.6 | -68.2 | -174.8 | 168.9 | -161 | 0 | 114.3 | S20 A21 H26 K162 D166 | S20-K23 WeakPolarHBondContact O-CB 3.39Å; S20-K23 PolarHBondContact O-N 3.4Å; A21-K23 VanDerWaalsContact C-N 3.29Å; A21-K23 PolarHBondContact O-N 2.63Å; K23-H26 PolarHBondContact O-CE1 3.2Å; K23-H26 PolarHBondContact O-ND1 3.46Å; K23-K162 WeakPolarHBondContact CD-O 3.36Å; K23-K162 PolarHBondContact NZ-O 3.14Å; K23-D166 WeakPolarHBondContact CE-OD2 3.46Å; K23-D166 IonicContact NZ-OD1 2.89Å; K23-D166 PolarHBondContact NZ-OD1 3.01Å; K23-D166 IonicContact NZ-OD2 3.8Å; K23-D166 PolarHBondContact NZ-OD2 2.98Å |
| 24 | I | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 14.2 | 177.9 | 61.8 | 163.3 | 0 | 0 | 0 | 113 | I4 W5 A21 M22 H26 R27 E160 K162 | I4-I24 WeakPolarHBondContact O-CD1 3.41Å; W5-I24 HydrophobicContact CB-CD1 4.1Å; A21-I24 VanDerWaalsContact O-CG1 3.24Å; A21-I24 WeakPolarHBondContact O-CG1 3.43Å; M22-I24 PolarHBondContact O-N 2.92Å; M22-I24 VanDerWaalsContact O-N 3.11Å; I24-H26 PolarHBondContact O-N 2.9Å; I24-R27 WeakPolarHBondContact O-CB 3.48Å; I24-R27 WeakPolarHBondContact O-CG 3.44Å; I24-R27 PolarHBondContact O-N 2.78Å; I24-E160 HydrophobicContact CG2-CB 3.89Å; I24-E160 HydrophobicContact CG2-CG 4.37Å; I24-K162 HydrophobicContact CG2-CG 4.32Å |
| 25 | A | 98.4 | Very high | 93 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M22 R27 G28 | M22-A25 VanDerWaalsContact O-CB 3.24Å; M22-A25 WeakPolarHBondContact O-CB 3.44Å; M22-A25 PolarHBondContact O-N 3.17Å; M22-A25 VanDerWaalsContact O-N 3.11Å; A25-R27 PolarHBondContact O-N 3.27Å; A25-R27 VanDerWaalsContact O-N 3.16Å; A25-G28 CarbonylContact O-C 3.46Å; A25-G28 PolarHBondContact O-N 3.2Å |
| 26 | H | 98.5 | Very high | 94 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.5 | 177.8 | 52.6 | -86.6 | 0 | 0 | 0 | 113.2 | K23 I24 E160 A410 G413 | K23-H26 PolarHBondContact O-CE1 3.2Å; K23-H26 PolarHBondContact O-ND1 3.46Å; I24-H26 PolarHBondContact O-N 2.9Å; H26-E160 IonicContact CD2-OE1 3.32Å; H26-E160 IonicContact CE1-OE2 3.55Å; H26-E160 PolarHBondContact CE1-OE2 3.34Å; H26-E160 VanDerWaalsContact NE2-CD 3.34Å; H26-E160 IonicContact NE2-OE1 3.77Å; H26-E160 PolarHBondContact NE2-OE1 3.26Å; H26-E160 IonicContact NE2-OE2 3.34Å; H26-E160 PolarHBondContact NE2-OE2 2.71Å; H26-A410 CarbonylContact C-O 3.51Å; H26-A410 VanDerWaalsContact O-O 3.06Å; H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.27Å; H26-G413 PolarHBondContact O-N 2.94Å |
| 27 | R | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -53.1 | 179.2 | -54 | -172.9 | 64.9 | 84 | -0.6 | 109.8 | M1 C2 I24 A25 P29 N75 E160 D406 A410 G413 | M1-R27 CarbonylContact C-O 3.52Å; M1-R27 PolarHBondContact N-O 3.18Å; M1-R27 CarbonylContact O-C 3.59Å; M1-R27 WeakPolarHBondContact O-CA 3.36Å; M1-R27 WeakPolarHBondContact O-CB 3.29Å; C2-R27 PolarHBondContact O-NE 3.33Å; C2-R27 VanDerWaalsContact O-NE 3.1Å; I24-R27 WeakPolarHBondContact O-CB 3.48Å; I24-R27 WeakPolarHBondContact O-CG 3.44Å; I24-R27 PolarHBondContact O-N 2.78Å; A25-R27 PolarHBondContact O-N 3.27Å; A25-R27 VanDerWaalsContact O-N 3.16Å; R27-P29 WeakPolarHBondContact O-CD 3.34Å; R27-N75 PolarHBondContact NH2-ND2 2.65Å; R27-N75 VanDerWaalsContact NH2-ND2 3.2Å; R27-E160 VanDerWaalsContact CD-OE1 3.26Å; R27-E160 WeakPolarHBondContact CD-OE1 3.46Å; R27-E160 IonicContact CZ-OE1 2.68Å; R27-E160 IonicContact NE-OE1 2.77Å; R27-E160 IonicContact NH1-OE1 3.94Å; R27-E160 PolarHBondContact NH1-OE1 3.32Å; R27-D406 IonicContact CZ-OD1 3Å; R27-D406 IonicContact CZ-OD2 3.14Å; R27-D406 IonicContact NH1-OD1 3.11Å; R27-D406 IonicContact NH1-OD2 2.74Å; R27-D406 PolarHBondContact NH1-OD2 2.98Å; R27-D406 IonicContact NH2-OD1 3.81Å; R27-D406 PolarHBondContact NH2-OD1 2.96Å; R27-D406 IonicContact NH2-OD2 3.18Å; R27-D406 PolarHBondContact NH2-OD2 3.25Å; R27-D406 VanDerWaalsContact NH2-OD2 3.14Å; R27-A410 WeakPolarHBondContact CA-O 3.37Å; R27-A410 HydrophobicContact CB-CB 4.42Å; R27-A410 HydrophobicContact CG-CB 4.06Å; R27-A410 VanDerWaalsContact NH1-CB 3.26Å; R27-G413 WeakPolarHBondContact O-CA 3.47Å |
| 28 | G | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -117.9 | 78.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 A25 D30 R49 | M1-G28 PolarHBondContact O-N 3.23Å; A25-G28 CarbonylContact O-C 3.46Å; A25-G28 PolarHBondContact O-N 3.2Å; G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 3.09Å; G28-R49 CarbonylContact C-O 3.58Å; G28-R49 VanDerWaalsContact CA-O 3.31Å; G28-R49 WeakPolarHBondContact CA-O 3.43Å; G28-R49 PolarHBondContact O-N 2.92Å | ||
| 29 | P | 97.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | trans | -77.4 | -9.2 | -171.3 | 33.4 | -40.1 | 0 | 0 | 0 | 115.2 | R27 L50 | R27-P29 WeakPolarHBondContact O-CD 3.34Å; P29-L50 HydrophobicContact CG-CD1 4.16Å | ||
| 30 | D | 98.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -84.2 | -35.7 | -168.2 | -61.6 | -19.6 | 0 | 0 | 0 | 112.2 | G28 R49 S51 R251 | G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 3.09Å; D30-R49 WeakPolarHBondContact CA-O 3.29Å; D30-R49 VanDerWaalsContact CB-O 3.31Å; D30-R49 WeakPolarHBondContact CB-O 3.39Å; D30-R49 PolarHBondContact N-O 3.14Å; D30-S51 PolarHBondContact OD2-N 3.4Å; D30-R251 IonicContact OD2-NH1 3.89Å; D30-R251 PolarHBondContact OD2-NH1 2.99Å |
| 31 | A | 98.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 155.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H48 R49 M59 | A31-H48 WeakPolarHBondContact O-CA 3.45Å; A31-R49 HydrophobicContact CB-CB 4.32Å; A31-R49 PolarHBondContact N-O 3.33Å; A31-R49 PolarHBondContact O-N 3.21Å; A31-M59 HydrophobicContact CB-CE 3.82Å; A31-M59 HydrophobicContact CB-SD 3.85Å |
| 32 | F | 98.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139 | 172.4 | 175.6 | -111.3 | 0 | 0 | 0 | 111.1 | M22 F34 F47 H48 | M22-F32 HydrophobicContact CE-CD1 3.74Å; M22-F32 HydrophobicContact CE-CE1 3.16Å; M22-F32 HydrophobicContact CE-CE2 4.16Å; M22-F32 HydrophobicContact CE-CG 4.43Å; M22-F32 HydrophobicContact CE-CZ 3.38Å; M22-F32 HydrophobicContact SD-CD1 4.49Å; M22-F32 HydrophobicContact SD-CE1 4.28Å; M22-F32 HydrophobicContact SD-CE2 4.47Å; M22-F32 HydrophobicContact SD-CZ 4.24Å; F32-F34 HydrophobicContact CE1-CB 3.69Å; F32-F34 HydrophobicContact CZ-CB 3.65Å; F32-F34 HydrophobicContact CZ-CD2 4.28Å; F32-F34 HydrophobicContact CZ-CG 4.42Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.37Å; F32-F47 VanDerWaalsContact CD2-O 3.32Å; F32-F47 WeakPolarHBondContact CD2-O 3.25Å; F32-H48 AromaticContact CD2-CD2 3.84Å; F32-H48 AromaticContact CD2-CE1 3.19Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.18Å; F32-H48 AromaticContact CD2-CG 3.83Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.39Å; F32-H48 AromaticContact CD2-NE2 3.45Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.4Å; F32-H48 AromaticContact CE2-CE1 3.68Å; F32-H48 AromaticContact CE2-NE2 3.51Å; F32-H48 AromaticContact CG-CE1 3.8Å; F32-H48 AromaticContact CG-ND1 3.99Å |
| 33 | R | 97.8 | Very high | 96.5 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.3 | 168.2 | -176.8 | -177.5 | -65.8 | 165.3 | -1.6 | 109.3 | G46 F47 M59 Q60 P61 | R33-G46 WeakPolarHBondContact O-CA 2.96Å; R33-F47 PolarHBondContact N-O 2.94Å; R33-F47 PolarHBondContact O-N 3.26Å; R33-M59 HydrophobicContact CB-CE 3.45Å; R33-M59 VanDerWaalsContact CB-CE 3.45Å; R33-M59 VanDerWaalsContact CZ-CG 3.46Å; R33-M59 VanDerWaalsContact N-CE 3.31Å; R33-M59 PolarHBondContact NH1-O 2.97Å; R33-Q60 WeakPolarHBondContact CB-O 3.29Å; R33-Q60 WeakPolarHBondContact CD-O 3.38Å; R33-P61 PolarHBondContact NH1-O 2.94Å |
| 34 | F | 96.9 | Very high | 96.6 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.6 | 169.6 | -176.2 | -91.4 | 0 | 0 | 0 | 108.7 | W5 L14 C18 F32 C44 F45 | W5-F34 HydrophobicContact CH2-CE2 4.31Å; W5-F34 AromaticContact CZ3-CE2 3.72Å; W5-F34 HydrophobicContact CZ3-CE2 3.72Å; L14-F34 HydrophobicContact CB-CZ 4.15Å; C18-F34 HydrophobicContact CB-CD2 4.18Å; C18-F34 HydrophobicContact CB-CE2 3.83Å; C18-F34 HydrophobicContact CB-CZ 4.09Å; C18-F34 VanDerWaalsContact SG-CD2 3.6Å; F32-F34 HydrophobicContact CE1-CB 3.69Å; F32-F34 HydrophobicContact CZ-CB 3.65Å; F32-F34 HydrophobicContact CZ-CD2 4.28Å; F32-F34 HydrophobicContact CZ-CG 4.42Å; F34-C44 HydrophobicContact CE2-CB 4.33Å; F34-C44 HydrophobicContact CZ-CB 3.95Å; F34-F45 WeakPolarHBondContact CA-O 3.44Å |
| 35 | E | 95.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.3 | 173.8 | 56.4 | 176 | 166 | 0 | 0 | 111.3 | C44 F45 P61 R63 W71 | E35-C44 WeakPolarHBondContact O-CA 3.48Å; E35-C44 WeakPolarHBondContact O-CB 3.34Å; E35-F45 PolarHBondContact N-O 3.05Å; E35-F45 PolarHBondContact O-N 2.86Å; E35-P61 HydrophobicContact CG-CG 3.99Å; E35-P61 VanDerWaalsContact OE1-CD 3.26Å; E35-P61 WeakPolarHBondContact OE1-CD 3.42Å; E35-P61 VanDerWaalsContact OE1-CG 3.31Å; E35-P61 WeakPolarHBondContact OE1-CG 3.46Å; E35-R63 IonicContact OE2-NH1 2.64Å; E35-R63 PolarHBondContact OE2-NH1 3.36Å; E35-W71 VanDerWaalsContact CD-CZ3 3.47Å; E35-W71 HydrophobicContact CG-CZ3 3.89Å |
| 36 | N | 95.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 164.2 | 171.7 | 69.5 | -17.6 | 0 | 0 | 0 | 111.2 | L14 T41 C43 C44 | L14-N36 HydrophobicContact CD1-CB 3.93Å; N36-T41 PolarHBondContact ND2-O 3.42Å; N36-C43 CarbonylContact C-O 3.57Å; N36-C43 VanDerWaalsContact CA-O 3.28Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.3Å; N36-C44 HydrophobicContact CB-CB 4.12Å |
| 37 | V | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.8 | -176.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | R39 F40 T41 C43 F45 W71 L126 T128 | V37-R39 PolarHBondContact O-N 3.11Å; V37-F40 HydrophobicContact CB-CB 4.17Å; V37-F40 HydrophobicContact CG1-CB 4.2Å; V37-F40 HydrophobicContact CG1-CD2 4.28Å; V37-F40 CarbonylContact O-C 3.43Å; V37-F40 PolarHBondContact O-N 3.43Å; V37-F40 VanDerWaalsContact O-O 3.04Å; V37-T41 PolarHBondContact O-N 3.3Å; V37-C43 HydrophobicContact CB-CB 4.23Å; V37-C43 HydrophobicContact CG2-CB 3.99Å; V37-C43 PolarHBondContact N-O 3.34Å; V37-F45 HydrophobicContact CG2-CD2 4.21Å; V37-F45 HydrophobicContact CG2-CE2 3.85Å; V37-W71 HydrophobicContact CG1-CZ2 4.32Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; V37-L126 HydrophobicContact CB-CD2 4.3Å; V37-L126 HydrophobicContact CG1-CD2 3.8Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; V37-T128 HydrophobicContact CG1-CG2 3.92Å |
| 38 | N | 92.5 | Very high | 96.5 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.8 | 173.8 | -62.8 | 80.3 | 0 | 0 | 0 | 110.7 | F40 | N38-F40 PolarHBondContact O-N 3.18Å; N38-F40 VanDerWaalsContact O-N 3.14Å |
| 39 | R | 90.5 | Very high | 96.5 | Very high | 243 Ų | 243 | 49.5 Ų | 49.5 | 92% | 0.917 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -10.7 | -175.1 | -51.1 | 178.7 | 176.6 | 179.6 | -1.4 | 115.8 | V37 | V37-R39 PolarHBondContact O-N 3.11Š|
| 40 | F | 95.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 63.2 | 171.3 | -63.5 | -79.2 | 0 | 0 | 0 | 108.3 | V37 N38 N42 C43 T128 L190 K191 | V37-F40 HydrophobicContact CB-CB 4.17Å; V37-F40 HydrophobicContact CG1-CB 4.2Å; V37-F40 HydrophobicContact CG1-CD2 4.28Å; V37-F40 CarbonylContact O-C 3.43Å; V37-F40 PolarHBondContact O-N 3.43Å; V37-F40 VanDerWaalsContact O-O 3.04Å; N38-F40 PolarHBondContact O-N 3.18Å; N38-F40 VanDerWaalsContact O-N 3.14Å; F40-N42 PolarHBondContact O-N 3.1Å; F40-C43 HydrophobicContact CB-CB 4.09Å; F40-C43 WeakPolarHBondContact O-CB 3.3Å; F40-C43 PolarHBondContact O-N 2.88Å; F40-T128 HydrophobicContact CD2-CG2 4.39Å; F40-T128 HydrophobicContact CE2-CG2 4.43Å; F40-L190 HydrophobicContact CD1-CD1 4.48Å; F40-L190 HydrophobicContact CD1-CD2 4.1Å; F40-L190 HydrophobicContact CD1-CG 4.35Å; F40-L190 HydrophobicContact CD2-CD2 3.97Å; F40-L190 HydrophobicContact CE1-CD2 3.84Å; F40-L190 HydrophobicContact CE1-CG 3.99Å; F40-L190 HydrophobicContact CE2-CD2 3.69Å; F40-L190 HydrophobicContact CG-CD2 4.15Å; F40-L190 HydrophobicContact CZ-CD2 3.62Å; F40-L190 HydrophobicContact CZ-CG 4.15Å; F40-K191 WeakPolarHBondContact CE1-O 3.47Å |
| 41 | T | 93.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 44.3 Ų | 44.3 | 58% | 0.583 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -10.4 | -168.7 | 52.3 | 0 | 0 | 0 | 0 | 114 | L14 N36 V37 | L14-T41 WeakPolarHBondContact CD1-O 3.37Å; N36-T41 PolarHBondContact ND2-O 3.42Å; V37-T41 PolarHBondContact O-N 3.3Å |
| 42 | N | 95 | Very high | 96.4 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 5.9 | 171.7 | 63.3 | -20.8 | 0 | 0 | 0 | 113.9 | G9 S10 F40 S193 | G9-N42 PolarHBondContact N-O 3.21Å; S10-N42 PolarHBondContact N-O 3.36Å; S10-N42 VanDerWaalsContact N-O 3.09Å; S10-N42 VanDerWaalsContact O-CB 3.25Å; S10-N42 WeakPolarHBondContact O-CB 3.2Å; F40-N42 PolarHBondContact O-N 3.1Å; N42-S193 PolarHBondContact ND2-O 3.33Å |
| 43 | C | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.3 | 166.6 | -57.8 | 0 | 0 | 0 | 0 | 108.8 | L7 F8 N36 V37 F40 G194 | L7-C43 CarbonylContact O-C 3.55Å; L7-C43 WeakPolarHBondContact O-CA 3.35Å; F8-C43 HydrophobicContact CD1-CB 4.04Å; N36-C43 CarbonylContact C-O 3.57Å; N36-C43 VanDerWaalsContact CA-O 3.28Å; N36-C43 WeakPolarHBondContact CA-O 3.34Å; N36-C43 WeakPolarHBondContact CB-O 3.3Å; V37-C43 HydrophobicContact CB-CB 4.23Å; V37-C43 HydrophobicContact CG2-CB 3.99Å; V37-C43 PolarHBondContact N-O 3.34Å; F40-C43 HydrophobicContact CB-CB 4.09Å; F40-C43 WeakPolarHBondContact O-CB 3.3Å; F40-C43 PolarHBondContact O-N 2.88Å; C43-G194 PolarHBondContact SG-O 3.11Å; C43-G194 VanDerWaalsContact SG-O 3.34Å |
| 44 | C | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 162.2 | -179.3 | 63 | 0 | 0 | 0 | 0 | 113.2 | W5 A6 L7 L14 F34 E35 N36 | W5-C44 VanDerWaalsContact CZ3-SG 3.55Å; A6-C44 CarbonylContact C-O 3.53Å; A6-C44 WeakPolarHBondContact CA-O 3.39Å; A6-C44 WeakPolarHBondContact CB-O 3.13Å; L7-C44 PolarHBondContact N-O 3.14Å; L7-C44 PolarHBondContact O-N 3.26Å; L14-C44 HydrophobicContact CD1-CB 3.85Å; F34-C44 HydrophobicContact CE2-CB 4.33Å; F34-C44 HydrophobicContact CZ-CB 3.95Å; E35-C44 WeakPolarHBondContact O-CA 3.48Å; E35-C44 WeakPolarHBondContact O-CB 3.34Å; N36-C44 HydrophobicContact CB-CB 4.12Å |
| 45 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.2 | 176.1 | -65.8 | -94 | 0 | 0 | 0 | 109.7 | W5 A6 F8 F34 E35 V37 P61 W71 C73 I124 L126 | W5-F45 WeakPolarHBondContact O-CA 3.33Å; A6-F45 HydrophobicContact CB-CD1 3.67Å; A6-F45 HydrophobicContact CB-CE1 3.93Å; A6-F45 HydrophobicContact CB-CG 4.31Å; F8-F45 HydrophobicContact CE1-CZ 4.27Å; F8-F45 HydrophobicContact CZ-CE1 4.23Å; F8-F45 AromaticContact CZ-CZ 3.8Å; F8-F45 HydrophobicContact CZ-CZ 3.8Å; F34-F45 WeakPolarHBondContact CA-O 3.44Å; E35-F45 PolarHBondContact N-O 3.05Å; E35-F45 PolarHBondContact O-N 2.86Å; V37-F45 HydrophobicContact CG2-CD2 4.21Å; V37-F45 HydrophobicContact CG2-CE2 3.85Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.28Å; F45-P61 HydrophobicContact CG-CG 3.87Å; F45-W71 HydrophobicContact CD2-CE3 4.24Å; F45-W71 HydrophobicContact CE2-CB 4.14Å; F45-W71 HydrophobicContact CE2-CE3 4.33Å; F45-W71 HydrophobicContact CZ-CB 4.27Å; F45-C73 HydrophobicContact CD1-CB 4.01Å; F45-C73 HydrophobicContact CE1-CB 4.44Å; F45-I124 HydrophobicContact CE1-CB 4.22Å; F45-I124 HydrophobicContact CE1-CG2 3.74Å; F45-I124 HydrophobicContact CZ-CG2 4.39Å; F45-L126 HydrophobicContact CE2-CB 4.42Å; F45-L126 HydrophobicContact CE2-CD2 3.98Å; F45-L126 HydrophobicContact CZ-CB 3.9Å; F45-L126 HydrophobicContact CZ-CD2 4.26Å |
| 46 | G | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | W5 R33 | W5-G46 PolarHBondContact N-O 2.73Å; W5-G46 PolarHBondContact O-N 2.8Å; R33-G46 WeakPolarHBondContact O-CA 2.96Å |
| 47 | F | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 120.4 | -177.2 | -173.9 | -107.6 | 0 | 0 | 0 | 111.8 | C2 G3 I4 F32 R33 R49 M59 Q60 | C2-F47 HydrophobicContact CB-CE2 3.57Å; C2-F47 HydrophobicContact CB-CZ 3.47Å; C2-F47 VanDerWaalsContact CB-CZ 3.47Å; C2-F47 VanDerWaalsContact SG-CZ 3.53Å; G3-F47 WeakPolarHBondContact O-CA 3.37Å; I4-F47 HydrophobicContact CG2-CD2 3.79Å; I4-F47 HydrophobicContact CG2-CE2 3.75Å; F32-F47 VanDerWaalsContact CA-O 3.31Å; F32-F47 WeakPolarHBondContact CA-O 3.37Å; F32-F47 VanDerWaalsContact CD2-O 3.32Å; F32-F47 WeakPolarHBondContact CD2-O 3.25Å; R33-F47 PolarHBondContact N-O 2.94Å; R33-F47 PolarHBondContact O-N 3.26Å; F47-R49 HydrophobicContact CD1-CB 4.04Å; F47-R49 HydrophobicContact CE1-CB 3.54Å; F47-R49 HydrophobicContact CE1-CG 3.72Å; F47-R49 HydrophobicContact CZ-CB 4.44Å; F47-R49 HydrophobicContact CZ-CG 4.43Å; F47-M59 HydrophobicContact CD1-CE 4.12Å; F47-M59 HydrophobicContact CD1-SD 4.29Å; F47-Q60 HydrophobicContact CB-CB 4.43Å; F47-Q60 HydrophobicContact CD1-CB 3.57Å; F47-Q60 HydrophobicContact CD1-CG 3.94Å; F47-Q60 HydrophobicContact CD2-CB 4.05Å; F47-Q60 HydrophobicContact CD2-CG 4.47Å; F47-Q60 HydrophobicContact CE1-CB 3.67Å; F47-Q60 HydrophobicContact CE1-CG 3.46Å; F47-Q60 VanDerWaalsContact CE1-CG 3.46Å; F47-Q60 HydrophobicContact CE2-CB 4.14Å; F47-Q60 VanDerWaalsContact CE2-CD 3.48Å; F47-Q60 HydrophobicContact CE2-CG 4.06Å; F47-Q60 HydrophobicContact CG-CB 3.75Å; F47-Q60 HydrophobicContact CG-CG 4.4Å; F47-Q60 HydrophobicContact CZ-CB 3.96Å; F47-Q60 HydrophobicContact CZ-CG 3.53Å |
| 48 | H | 98.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120 | 170.2 | -67.8 | -82.2 | 0 | 0 | 0 | 109 | C2 G3 A21 A31 F32 | C2-H48 CarbonylContact C-O 3.38Å; C2-H48 WeakPolarHBondContact CA-O 3.47Å; C2-H48 WeakPolarHBondContact CB-O 3.44Å; G3-H48 PolarHBondContact N-O 3.28Å; G3-H48 PolarHBondContact O-N 3.47Å; A21-H48 PolarHBondContact O-CD2 3.07Å; A21-H48 VanDerWaalsContact O-CD2 3.32Å; A21-H48 PolarHBondContact O-NE2 3.48Å; A31-H48 WeakPolarHBondContact O-CA 3.45Å; F32-H48 AromaticContact CD2-CD2 3.84Å; F32-H48 AromaticContact CD2-CE1 3.19Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.18Å; F32-H48 AromaticContact CD2-CG 3.83Å; F32-H48 AromaticContact CD2-ND1 3.43Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.39Å; F32-H48 AromaticContact CD2-NE2 3.45Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.4Å; F32-H48 AromaticContact CE2-CE1 3.68Å; F32-H48 AromaticContact CE2-NE2 3.51Å; F32-H48 AromaticContact CG-CE1 3.8Å; F32-H48 AromaticContact CG-ND1 3.99Å |
| 49 | R | 98.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.3 | -172.4 | -167.1 | 168.9 | -168.3 | -133.6 | -3.9 | 111.3 | G28 D30 A31 F47 S51 V53 D54 Q55 G58 M59 | G28-R49 CarbonylContact C-O 3.58Å; G28-R49 VanDerWaalsContact CA-O 3.31Å; G28-R49 WeakPolarHBondContact CA-O 3.43Å; G28-R49 PolarHBondContact O-N 2.92Å; D30-R49 WeakPolarHBondContact CA-O 3.29Å; D30-R49 VanDerWaalsContact CB-O 3.31Å; D30-R49 WeakPolarHBondContact CB-O 3.39Å; D30-R49 PolarHBondContact N-O 3.14Å; A31-R49 HydrophobicContact CB-CB 4.32Å; A31-R49 PolarHBondContact N-O 3.33Å; A31-R49 PolarHBondContact O-N 3.21Å; F47-R49 HydrophobicContact CD1-CB 4.04Å; F47-R49 HydrophobicContact CE1-CB 3.54Å; F47-R49 HydrophobicContact CE1-CG 3.72Å; F47-R49 HydrophobicContact CZ-CB 4.44Å; F47-R49 HydrophobicContact CZ-CG 4.43Å; R49-S51 PolarHBondContact NH1-OG 2.98Å; R49-V53 PolarHBondContact NH2-O 2.68Å; R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 PolarHBondContact NH2-O 3.04Å; R49-Q55 PolarHBondContact NH1-O 3.34Å; R49-G58 PolarHBondContact NE-O 3.35Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 VanDerWaalsContact NH2-CA 3.29Å; R49-G58 PolarHBondContact NH2-O 3.11Å; R49-G58 VanDerWaalsContact NH2-O 3.15Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.84Å; R49-M59 WeakPolarHBondContact CD-SD 3.39Å; R49-M59 HydrophobicContact CG-SD 4.28Å |
| 50 | L | 98.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | trans | -99.9 | 115.4 | 151.3 | 179 | 68.7 | 0 | 0 | 0 | 106.5 | C2 P29 V52 V359 G413 E415 | C2-L50 PolarHBondContact SG-N 2.99Å; C2-L50 VanDerWaalsContact SG-N 3.36Å; C2-L50 PolarHBondContact SG-O 2.75Å; P29-L50 HydrophobicContact CG-CD1 4.16Å; L50-V52 HydrophobicContact CD2-CG2 4.02Å; L50-V52 HydrophobicContact CG-CG2 4Å; L50-V52 PolarHBondContact O-N 3.36Å; L50-V359 HydrophobicContact CD1-CG1 3.87Å; L50-V359 HydrophobicContact CD2-CG1 3.79Å; L50-V359 HydrophobicContact CG-CG1 4.1Å; L50-G413 VanDerWaalsContact CD1-O 3.29Å; L50-G413 WeakPolarHBondContact CD1-O 3.2Å; L50-G413 WeakPolarHBondContact CD2-O 3.32Å; L50-E415 HydrophobicContact CD2-CB 4.07Å | ||
| 51 | S | 96.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | trans | -84.5 | 98.4 | -174.1 | -171 | 0 | 0 | 0 | 0 | 111.1 | D30 R49 Q55 R251 | D30-S51 PolarHBondContact OD2-N 3.4Å; R49-S51 PolarHBondContact NH1-OG 2.98Å; S51-Q55 VanDerWaalsContact OG-CA 3.32Å; S51-Q55 WeakPolarHBondContact OG-CA 3.33Å; S51-Q55 WeakPolarHBondContact OG-CG 3.43Å; S51-R251 VanDerWaalsContact O-CD 3.31Å; S51-R251 WeakPolarHBondContact O-CD 3.33Å; S51-R251 WeakPolarHBondContact O-CG 3.43Å; S51-R251 PolarHBondContact O-NH1 3.46Å | ||
| 52 | V | 96.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | trans | -100.4 | -52.5 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | L50 E77 T249 H250 V360 E415 | L50-V52 HydrophobicContact CD2-CG2 4.02Å; L50-V52 HydrophobicContact CG-CG2 4Å; L50-V52 PolarHBondContact O-N 3.36Å; V52-E77 WeakPolarHBondContact CG1-OE1 3.29Å; V52-T249 VanDerWaalsContact CG1-OG1 3.26Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.28Å; V52-T249 PolarHBondContact O-OG1 3.3Å; V52-H250 PolarHBondContact O-N 3.33Å; V52-V360 HydrophobicContact CG1-CG2 3.66Å; V52-E415 HydrophobicContact CG2-CB 4.34Å | ||
| 53 | V | 95.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -110.1 | 137.5 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 110 | R49 E77 L95 M248 | R49-V53 PolarHBondContact NH2-O 2.68Å; V53-E77 WeakPolarHBondContact CG2-OE2 3.41Å; V53-L95 WeakPolarHBondContact CG1-O 3.33Å; V53-M248 HydrophobicContact CG2-CE 4.27Å; V53-M248 HydrophobicContact CG2-CG 4.23Å |
| 54 | D | 93.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | trans | 53.1 | 87.2 | 178.9 | -177.5 | 9.6 | 0 | 0 | 0 | 115.1 | R49 L56 Y57 G58 L95 V96 H250 | R49-D54 PolarHBondContact NH1-O 3.39Å; R49-D54 PolarHBondContact NH2-O 3.04Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 2.89Å; D54-L56 PolarHBondContact OD1-N 3.42Å; D54-Y57 PolarHBondContact OD1-N 3.3Å; D54-Y57 WeakPolarHBondContact OD2-CB 3.32Å; D54-G58 PolarHBondContact O-N 3.34Å; D54-G58 PolarHBondContact OD2-N 2.94Å; D54-L95 VanDerWaalsContact CB-C 3.48Å; D54-L95 HydrophobicContact CB-CB 3.77Å; D54-L95 WeakPolarHBondContact OD2-CA 3.45Å; D54-L95 PolarHBondContact OD2-N 3.17Å; D54-V96 HydrophobicContact CB-CB 4.21Å; D54-V96 PolarHBondContact OD2-N 3.44Å; D54-H250 PolarHBondContact N-ND1 3.07Å | ||
| 55 | Q | 90.1 | Very high | 96.9 | Very high | 109 Ų | 109 | 37.5 Ų | 37.5 | 51% | 0.509 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.3 | -177.1 | -65.3 | -179.7 | 0.3 | 0 | 0 | 114 | R49 S51 | R49-Q55 PolarHBondContact NH1-O 3.34Å; S51-Q55 VanDerWaalsContact OG-CA 3.32Å; S51-Q55 WeakPolarHBondContact OG-CA 3.33Å; S51-Q55 WeakPolarHBondContact OG-CG 3.43Å |
| 56 | L | 93.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 42.7 Ų | 42.7 | 74% | 0.738 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -42.3 | -169.8 | -63.4 | 176.8 | 0 | 0 | 0 | 113 | D54 | D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 PolarHBondContact O-N 2.89Å; D54-L56 PolarHBondContact OD1-N 3.42Å |
| 57 | Y | 94.8 | Very high | 96.9 | Very high | 148 Ų | 148 | 43 Ų | 43 | 58% | 0.58 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -11.7 | -168.6 | -48.4 | -75.8 | 0 | 0 | 0 | 114.5 | D54 M59 | D54-Y57 PolarHBondContact OD1-N 3.3Å; D54-Y57 WeakPolarHBondContact OD2-CB 3.32Å; Y57-M59 VanDerWaalsContact C-N 3.32Å; Y57-M59 PolarHBondContact O-N 2.96Å |
| 58 | G | 96.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -84.4 | 20.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117 | R49 D54 | R49-G58 PolarHBondContact NE-O 3.35Å; R49-G58 VanDerWaalsContact NH2-C 3.3Å; R49-G58 VanDerWaalsContact NH2-CA 3.29Å; R49-G58 PolarHBondContact NH2-O 3.11Å; R49-G58 VanDerWaalsContact NH2-O 3.15Å; D54-G58 PolarHBondContact O-N 3.34Å; D54-G58 PolarHBondContact OD2-N 2.94Å | ||
| 59 | M | 98.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | trans | -73.8 | 136.8 | 178.6 | -172.9 | 65.8 | -175.8 | 0 | 0 | 111.4 | A31 R33 F47 R49 Y57 | A31-M59 HydrophobicContact CB-CE 3.82Å; A31-M59 HydrophobicContact CB-SD 3.85Å; R33-M59 HydrophobicContact CB-CE 3.45Å; R33-M59 VanDerWaalsContact CB-CE 3.45Å; R33-M59 VanDerWaalsContact CZ-CG 3.46Å; R33-M59 VanDerWaalsContact N-CE 3.31Å; R33-M59 PolarHBondContact NH1-O 2.97Å; F47-M59 HydrophobicContact CD1-CE 4.12Å; F47-M59 HydrophobicContact CD1-SD 4.29Å; R49-M59 HydrophobicContact CB-CE 4.37Å; R49-M59 HydrophobicContact CB-SD 3.84Å; R49-M59 WeakPolarHBondContact CD-SD 3.39Å; R49-M59 HydrophobicContact CG-SD 4.28Å; Y57-M59 VanDerWaalsContact C-N 3.32Å; Y57-M59 PolarHBondContact O-N 2.96Å | ||
| 60 | Q | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -108.3 | 158 | -173.5 | -39 | -174 | 16.8 | 0 | 0 | 112.6 | R33 F47 I62 C73 Y74 | R33-Q60 WeakPolarHBondContact CB-O 3.29Å; R33-Q60 WeakPolarHBondContact CD-O 3.38Å; F47-Q60 HydrophobicContact CB-CB 4.43Å; F47-Q60 HydrophobicContact CD1-CB 3.57Å; F47-Q60 HydrophobicContact CD1-CG 3.94Å; F47-Q60 HydrophobicContact CD2-CB 4.05Å; F47-Q60 HydrophobicContact CD2-CG 4.47Å; F47-Q60 HydrophobicContact CE1-CB 3.67Å; F47-Q60 HydrophobicContact CE1-CG 3.46Å; F47-Q60 VanDerWaalsContact CE1-CG 3.46Å; F47-Q60 HydrophobicContact CE2-CB 4.14Å; F47-Q60 VanDerWaalsContact CE2-CD 3.48Å; F47-Q60 HydrophobicContact CE2-CG 4.06Å; F47-Q60 HydrophobicContact CG-CB 3.75Å; F47-Q60 HydrophobicContact CG-CG 4.4Å; F47-Q60 HydrophobicContact CZ-CB 3.96Å; F47-Q60 HydrophobicContact CZ-CG 3.53Å; Q60-I62 HydrophobicContact CB-CG1 4.09Å; Q60-I62 HydrophobicContact CG-CD1 4.15Å; Q60-I62 HydrophobicContact CG-CG1 3.64Å; Q60-C73 VanDerWaalsContact OE1-CA 3.32Å; Q60-Y74 PolarHBondContact NE2-O 3.1Å; Q60-Y74 PolarHBondContact OE1-O 3.37Å |
| 61 | P | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | S | Bend | cis | -56.3 | 131.6 | 1.8 | -25 | 32.6 | 0 | 0 | 0 | 114 | R33 E35 F45 R63 W71 L72 | R33-P61 PolarHBondContact NH1-O 2.94Å; E35-P61 HydrophobicContact CG-CG 3.99Å; E35-P61 VanDerWaalsContact OE1-CD 3.26Å; E35-P61 WeakPolarHBondContact OE1-CD 3.42Å; E35-P61 VanDerWaalsContact OE1-CG 3.31Å; E35-P61 WeakPolarHBondContact OE1-CG 3.46Å; F45-P61 HydrophobicContact CB-CG 3.45Å; F45-P61 VanDerWaalsContact CB-CG 3.45Å; F45-P61 HydrophobicContact CD2-CG 4.28Å; F45-P61 HydrophobicContact CG-CG 3.87Å; P61-R63 PolarHBondContact O-N 2.91Å; P61-W71 HydrophobicContact CB-CE3 4.2Å; P61-W71 HydrophobicContact CG-CE3 4.48Å; P61-L72 CarbonylContact C-O 3.55Å; P61-L72 WeakPolarHBondContact CA-O 3.38Å |
| 62 | I | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 120.6 | 176.4 | -54.1 | 177.6 | 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 3.64Å; I62-V64 HydrophobicContact CG2-CG1 4.23Å; I62-L72 HydrophobicContact CB-CB 4.29Å; I62-L72 HydrophobicContact CD1-CD2 4.19Å; I62-L72 PolarHBondContact N-O 3.46Å; I62-L72 PolarHBondContact O-N 2.68Å; I62-L72 VanDerWaalsContact O-N 3.16Å; I62-Y74 HydrophobicContact CD1-CD1 4.19Å; I62-Y74 HydrophobicContact CD1-CE1 3.93Å; I62-V96 HydrophobicContact CD1-CG1 3.63Å; I62-L102 HydrophobicContact CB-CD1 4.44Å; I62-L102 HydrophobicContact CG2-CD1 3.78Å |
| 63 | R | 98.2 | Very high | 97.1 | Very high | 103 Ų | 103 | 49 Ų | 49 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | trans | -135.4 | 123.3 | 176.7 | -65.7 | 168.3 | 63.6 | -167 | -1 | 107.8 | E35 P61 W71 | E35-R63 IonicContact OE2-NH1 2.64Å; E35-R63 PolarHBondContact OE2-NH1 3.36Å; P61-R63 PolarHBondContact O-N 2.91Å; R63-W71 HydrophobicContact CG-CD2 4.11Å; R63-W71 HydrophobicContact CG-CE3 4.25Å; R63-W71 HydrophobicContact CG-CG 4.33Å; R63-W71 VanDerWaalsContact CZ-CH2 3.42Å; R63-W71 VanDerWaalsContact CZ-CZ2 3.41Å | ||
| 64 | V | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | trans | -117.6 | 146.6 | -178.4 | -58 | 0 | 0 | 0 | 0 | 110.1 | I62 K66 F67 Q93 E99 L102 | I62-V64 HydrophobicContact CG2-CG1 4.23Å; V64-K66 HydrophobicContact CG2-CB 4.38Å; V64-K66 PolarHBondContact O-N 3.14Å; V64-K66 VanDerWaalsContact O-N 3.16Å; V64-F67 HydrophobicContact CG2-CB 4.23Å; V64-F67 HydrophobicContact CG2-CD2 3.46Å; V64-F67 VanDerWaalsContact CG2-CD2 3.46Å; V64-F67 HydrophobicContact CG2-CE2 4.2Å; V64-F67 HydrophobicContact CG2-CG 4.19Å; V64-F67 CarbonylContact O-C 3.6Å; V64-F67 PolarHBondContact O-N 2.94Å; V64-Q93 HydrophobicContact CB-CB 4.18Å; V64-Q93 HydrophobicContact CG1-CB 4Å; V64-E99 HydrophobicContact CG1-CG 4.16Å; V64-L102 HydrophobicContact CG1-CD1 4.1Å; V64-L102 HydrophobicContact CG2-CD1 3.92Å | ||
| 65 | K | 98.1 | Very high | 97.5 | Very high | 183 Ų | 183 | 48.6 Ų | 48.6 | 80% | 0.796 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.5 | -176.7 | -174.8 | 178.7 | 178.5 | -177 | 0 | 112.3 | F67 Q93 | K65-F67 VanDerWaalsContact C-N 3.26Å; K65-F67 PolarHBondContact O-N 3.09Å; K65-Q93 VanDerWaalsContact CB-OE1 3.25Å |
| 66 | K | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 48% | 0.478 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.3 | 179.1 | -163.7 | 173.6 | -177.7 | 168.7 | 0 | 112.7 | V64 | V64-K66 HydrophobicContact CG2-CB 4.38Å; V64-K66 PolarHBondContact O-N 3.14Å; V64-K66 VanDerWaalsContact O-N 3.16Å |
| 67 | F | 98.2 | Very high | 98.2 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | -130.8 | 70.9 | -175.8 | -44.6 | -57.6 | 0 | 0 | 0 | 110.5 | V64 K65 Y69 L70 L102 H103 N106 | V64-F67 HydrophobicContact CG2-CB 4.23Å; V64-F67 HydrophobicContact CG2-CD2 3.46Å; V64-F67 VanDerWaalsContact CG2-CD2 3.46Å; V64-F67 HydrophobicContact CG2-CE2 4.2Å; V64-F67 HydrophobicContact CG2-CG 4.19Å; V64-F67 CarbonylContact O-C 3.6Å; V64-F67 PolarHBondContact O-N 2.94Å; K65-F67 VanDerWaalsContact C-N 3.26Å; K65-F67 PolarHBondContact O-N 3.09Å; F67-Y69 PolarHBondContact O-N 3.29Å; F67-L70 HydrophobicContact CB-CB 4.07Å; F67-L70 HydrophobicContact CB-CD1 3.64Å; F67-L70 HydrophobicContact CB-CG 3.82Å; F67-L70 HydrophobicContact CD2-CD1 4.29Å; F67-L70 HydrophobicContact CG-CD1 3.98Å; F67-L70 PolarHBondContact O-N 2.98Å; F67-L70 VanDerWaalsContact O-N 3.09Å; F67-L102 HydrophobicContact CD2-CB 3.96Å; F67-L102 HydrophobicContact CE2-CB 4.22Å; F67-H103 AromaticContact CE2-CE1 3.71Å; F67-H103 AromaticContact CE2-CG 3.86Å; F67-H103 AromaticContact CE2-ND1 3.53Å; F67-H103 AromaticContact CZ-ND1 3.59Å; F67-N106 HydrophobicContact CD1-CB 4.01Å; F67-N106 HydrophobicContact CE1-CB 3.62Å; F67-N106 WeakPolarHBondContact CE1-ND2 3.26Å; F67-N106 HydrophobicContact CZ-CB 3.9Å | ||
| 68 | P | 97.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 30.3 Ų | 30.3 | 60% | 0.597 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.4 | -170.5 | 27.3 | -35.6 | 0 | 0 | 0 | 114.2 | ||
| 69 | Y | 97.8 | Very high | 98.4 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.9 | 179.9 | 48 | -91.9 | 0 | 0 | 0 | 113.8 | F67 N106 D127 T128 A129 | F67-Y69 PolarHBondContact O-N 3.29Å; Y69-N106 PolarHBondContact OH-OD1 3.21Å; Y69-D127 WeakPolarHBondContact CD2-OD1 3.29Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.47Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.26Å; Y69-T128 PolarHBondContact O-N 2.94Å; Y69-T128 PolarHBondContact O-OG1 3.46Å; Y69-A129 HydrophobicContact CD1-CB 4.27Å; Y69-A129 HydrophobicContact CD2-CB 3.79Å; Y69-A129 HydrophobicContact CE2-CB 4.46Å; Y69-A129 HydrophobicContact CG-CB 3.69Å |
| 70 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.2 | -178.7 | -59.3 | -175.3 | 0 | 0 | 0 | 112.1 | F67 L102 Y105 L125 L126 D127 | F67-L70 HydrophobicContact CB-CB 4.07Å; F67-L70 HydrophobicContact CB-CD1 3.64Å; F67-L70 HydrophobicContact CB-CG 3.82Å; F67-L70 HydrophobicContact CD2-CD1 4.29Å; F67-L70 HydrophobicContact CG-CD1 3.98Å; F67-L70 PolarHBondContact O-N 2.98Å; F67-L70 VanDerWaalsContact O-N 3.09Å; L70-L102 HydrophobicContact CB-CD2 3.88Å; L70-L102 HydrophobicContact CD1-CD2 4.12Å; L70-Y105 HydrophobicContact CD1-CD1 3.84Å; L70-Y105 HydrophobicContact CD1-CE1 4.37Å; L70-Y105 HydrophobicContact CD2-CD1 3.95Å; L70-Y105 HydrophobicContact CD2-CE1 3.68Å; L70-L125 HydrophobicContact CB-CD1 4.49Å; L70-L126 WeakPolarHBondContact CA-O 3.35Å; L70-D127 HydrophobicContact CD2-CB 3.63Å |
| 71 | W | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 122 | 177.1 | -60.5 | 62.6 | 0 | 0 | 0 | 108.6 | E35 V37 F45 P61 R63 L125 L126 | E35-W71 VanDerWaalsContact CD-CZ3 3.47Å; E35-W71 HydrophobicContact CG-CZ3 3.89Å; V37-W71 HydrophobicContact CG1-CZ2 4.32Å; V37-W71 HydrophobicContact CG2-CE3 4.46Å; F45-W71 HydrophobicContact CD2-CE3 4.24Å; F45-W71 HydrophobicContact CE2-CB 4.14Å; F45-W71 HydrophobicContact CE2-CE3 4.33Å; F45-W71 HydrophobicContact CZ-CB 4.27Å; P61-W71 HydrophobicContact CB-CE3 4.2Å; P61-W71 HydrophobicContact CG-CE3 4.48Å; R63-W71 HydrophobicContact CG-CD2 4.11Å; R63-W71 HydrophobicContact CG-CE3 4.25Å; R63-W71 HydrophobicContact CG-CG 4.33Å; R63-W71 VanDerWaalsContact CZ-CH2 3.42Å; R63-W71 VanDerWaalsContact CZ-CZ2 3.41Å; W71-L125 WeakPolarHBondContact O-CA 3.28Å; W71-L126 HydrophobicContact CB-CB 4.17Å; W71-L126 HydrophobicContact CB-CD2 4.39Å; W71-L126 HydrophobicContact CG-CD2 4.24Å; W71-L126 PolarHBondContact N-O 3.24Å; W71-L126 PolarHBondContact O-N 2.63Å |
| 72 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.7 | -178.2 | 172 | 67.3 | 0 | 0 | 0 | 111.1 | P61 I62 G98 I101 L102 F123 L125 | P61-L72 CarbonylContact C-O 3.55Å; P61-L72 WeakPolarHBondContact CA-O 3.38Å; I62-L72 HydrophobicContact CB-CB 4.29Å; I62-L72 HydrophobicContact CD1-CD2 4.19Å; I62-L72 PolarHBondContact N-O 3.46Å; I62-L72 PolarHBondContact O-N 2.68Å; I62-L72 VanDerWaalsContact O-N 3.16Å; L72-G98 VanDerWaalsContact CD2-O 3.29Å; L72-G98 WeakPolarHBondContact CD2-O 3.37Å; L72-I101 HydrophobicContact CD1-CG2 4.06Å; L72-I101 HydrophobicContact CD2-CB 3.77Å; L72-I101 HydrophobicContact CD2-CD1 4.25Å; L72-I101 HydrophobicContact CD2-CG2 4.03Å; L72-L102 HydrophobicContact CB-CD2 3.68Å; L72-L102 HydrophobicContact CB-CG 4.31Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.03Å; L72-F123 HydrophobicContact CD1-CB 3.98Å; L72-L125 HydrophobicContact CB-CD1 4.2Å; L72-L125 HydrophobicContact CD1-CB 4.33Å |
| 73 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.5 | 160.1 | -86.9 | 0 | 0 | 0 | 0 | 108.7 | I4 F45 Q60 F123 I124 | I4-C73 HydrophobicContact CB-CB 4.42Å; I4-C73 HydrophobicContact CG2-CB 4.04Å; F45-C73 HydrophobicContact CD1-CB 4.01Å; F45-C73 HydrophobicContact CE1-CB 4.44Å; Q60-C73 VanDerWaalsContact OE1-CA 3.32Å; C73-F123 CarbonylContact O-C 3.6Å; C73-F123 VanDerWaalsContact O-CA 3.28Å; C73-F123 WeakPolarHBondContact O-CA 3.5Å; C73-I124 PolarHBondContact N-O 2.89Å; C73-I124 PolarHBondContact O-N 2.81Å |
| 74 | Y | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.1 | 172.6 | 87.1 | -60.1 | 0 | 0 | 0 | 112 | Q60 I62 G76 I78 D97 G98 I101 A122 | Q60-Y74 PolarHBondContact NE2-O 3.1Å; Q60-Y74 PolarHBondContact OE1-O 3.37Å; I62-Y74 HydrophobicContact CD1-CD1 4.19Å; I62-Y74 HydrophobicContact CD1-CE1 3.93Å; Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.25Å; Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; Y74-I78 HydrophobicContact CE2-CG1 4.35Å; Y74-D97 PolarHBondContact OH-OD1 2.95Å; Y74-D97 PolarHBondContact OH-OD2 3.24Å; Y74-G98 VanDerWaalsContact CZ-CA 3.41Å; Y74-G98 WeakPolarHBondContact OH-CA 3.41Å; Y74-G98 PolarHBondContact OH-N 3.2Å; Y74-I101 HydrophobicContact CD2-CD1 4.27Å; Y74-I101 HydrophobicContact CG-CD1 4.38Å; Y74-A122 CarbonylContact C-O 3.6Å; Y74-A122 WeakPolarHBondContact CA-O 3.33Å; Y74-A122 WeakPolarHBondContact CB-O 3.46Å |
| 75 | N | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.3 | 164.5 | 168.8 | 33.3 | 0 | 0 | 0 | 107.3 | C2 I4 R27 F121 A122 R143 | C2-N75 HydrophobicContact CB-CB 4.14Å; C2-N75 PolarHBondContact N-OD1 3.04Å; C2-N75 PolarHBondContact O-ND2 2.91Å; C2-N75 PolarHBondContact O-OD1 3.25Å; I4-N75 HydrophobicContact CG2-CB 4.18Å; R27-N75 PolarHBondContact NH2-ND2 2.65Å; R27-N75 VanDerWaalsContact NH2-ND2 3.2Å; N75-F121 CarbonylContact O-C 3.52Å; N75-F121 WeakPolarHBondContact O-CA 3.43Å; N75-A122 PolarHBondContact N-O 3.44Å; N75-A122 PolarHBondContact O-N 3.11Å; N75-R143 WeakPolarHBondContact O-CB 3.46Å; N75-R143 VanDerWaalsContact O-CG 3.3Å; N75-R143 WeakPolarHBondContact O-CG 3.26Å |
| 76 | G | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y74 V120 | Y74-G76 VanDerWaalsContact CE2-C 3.49Å; Y74-G76 VanDerWaalsContact CE2-O 3.25Å; Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; G76-V120 CarbonylContact C-O 3.55Å; G76-V120 WeakPolarHBondContact CA-O 3.46Å |
| 77 | E | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 118.9 | 175.3 | -68.4 | -75.6 | 144.6 | 0 | 0 | 107.8 | V52 V53 Y79 D97 G119 V120 M248 E415 R417 | V52-E77 WeakPolarHBondContact CG1-OE1 3.29Å; V53-E77 WeakPolarHBondContact CG2-OE2 3.41Å; E77-Y79 HydrophobicContact CB-CD1 4.22Å; E77-Y79 HydrophobicContact CB-CE1 3.57Å; E77-Y79 HydrophobicContact CG-CE1 4.45Å; E77-D97 WeakPolarHBondContact CA-OD2 2.95Å; E77-G119 WeakPolarHBondContact O-CA 3.33Å; E77-V120 HydrophobicContact CB-CG2 4.49Å; E77-V120 PolarHBondContact N-O 2.89Å; E77-V120 PolarHBondContact O-N 3.13Å; E77-V120 VanDerWaalsContact O-N 3.08Å; E77-M248 HydrophobicContact CB-CE 4.03Å; E77-M248 WeakPolarHBondContact OE2-CE 3.48Å; E77-E415 WeakPolarHBondContact CG-OE2 3.4Å; E77-R417 IonicContact OE1-NH2 2.67Å; E77-R417 IonicContact OE2-CZ 3.82Å; E77-R417 IonicContact OE2-NH2 3.89Å; E77-R417 PolarHBondContact OE2-NH2 3.13Å |
| 78 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 92.6 | 177.3 | -47.7 | -54.5 | 0 | 0 | 0 | 109.1 | Y74 N80 F81 D97 V100 I101 L117 D118 F121 | Y74-I78 HydrophobicContact CE2-CG1 4.35Å; I78-N80 VanDerWaalsContact C-N 3.27Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.03Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-F81 HydrophobicContact CB-CB 4.38Å; I78-F81 HydrophobicContact CG2-CB 4.31Å; I78-F81 WeakPolarHBondContact O-CB 3.46Å; I78-F81 VanDerWaalsContact O-CD1 3.32Å; I78-F81 WeakPolarHBondContact O-CD1 3.5Å; I78-F81 PolarHBondContact O-N 3.2Å; I78-D97 HydrophobicContact CB-CB 4.38Å; I78-D97 PolarHBondContact N-OD2 3.5Å; I78-V100 HydrophobicContact CB-CG1 4.18Å; I78-V100 HydrophobicContact CG1-CG1 4.29Å; I78-V100 HydrophobicContact CG2-CG1 3.79Å; I78-I101 HydrophobicContact CD1-CD1 4.39Å; I78-I101 HydrophobicContact CG1-CD1 4.37Å; I78-L117 HydrophobicContact CD1-CB 4.31Å; I78-L117 HydrophobicContact CD1-CD1 4.16Å; I78-L117 HydrophobicContact CD1-CD2 4.23Å; I78-L117 HydrophobicContact CD1-CG 4.44Å; I78-L117 HydrophobicContact CG1-CD2 4.4Å; I78-L117 HydrophobicContact CG2-CB 4.47Å; I78-L117 HydrophobicContact CG2-CD2 3.78Å; I78-D118 CarbonylContact C-O 3.35Å; I78-F121 HydrophobicContact CD1-CB 4.09Å; I78-F121 HydrophobicContact CD1-CD1 3.74Å; I78-F121 HydrophobicContact CD1-CG 4.21Å |
| 79 | Y | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.9 | -169.5 | -52.5 | -60.2 | 0 | 0 | 0 | 113.9 | E77 D118 K245 R246 M248 | E77-Y79 HydrophobicContact CB-CD1 4.22Å; E77-Y79 HydrophobicContact CB-CE1 3.57Å; E77-Y79 HydrophobicContact CG-CE1 4.45Å; Y79-D118 WeakPolarHBondContact CB-O 3.41Å; Y79-D118 PolarHBondContact N-O 3.23Å; Y79-K245 HydrophobicContact CD2-CD 4.34Å; Y79-K245 HydrophobicContact CD2-CG 4.44Å; Y79-K245 HydrophobicContact CG-CD 4.38Å; Y79-K245 HydrophobicContact CG-CG 4.16Å; Y79-R246 HydrophobicContact CD1-CG 4.11Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.35Å; Y79-R246 HydrophobicContact CE1-CG 3.65Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.46Å; Y79-M248 HydrophobicContact CD1-CE 4.04Å |
| 80 | N | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 10.6 | 179.1 | 70.6 | -19.2 | 0 | 0 | 0 | 114.7 | I78 K82 Q83 L84 M116 D118 | I78-N80 VanDerWaalsContact C-N 3.27Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.03Å; I78-N80 PolarHBondContact O-N 3.34Å; N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 3.03Å; N80-Q83 PolarHBondContact O-N 3.15Å; N80-Q83 VanDerWaalsContact O-N 3.12Å; N80-Q83 PolarHBondContact O-OE1 3.37Å; N80-L84 WeakPolarHBondContact O-CG 3.25Å; N80-L84 PolarHBondContact O-N 3.26Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.42Å; N80-M116 PolarHBondContact ND2-O 3.46Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.42Å; N80-D118 PolarHBondContact ND2-N 3Å; N80-D118 PolarHBondContact OD1-N 3.37Å; N80-D118 VanDerWaalsContact OD1-N 3.11Å |
| 81 | F | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -34.6 | -171.1 | 84.8 | -86.7 | 0 | 0 | 0 | 113.8 | I78 Q85 Y92 D97 V100 M248 | I78-F81 HydrophobicContact CB-CB 4.38Å; I78-F81 HydrophobicContact CG2-CB 4.31Å; I78-F81 WeakPolarHBondContact O-CB 3.46Å; I78-F81 VanDerWaalsContact O-CD1 3.32Å; I78-F81 WeakPolarHBondContact O-CD1 3.5Å; I78-F81 PolarHBondContact O-N 3.2Å; F81-Q85 VanDerWaalsContact O-CB 3.3Å; F81-Q85 WeakPolarHBondContact O-CB 3.31Å; F81-Q85 PolarHBondContact O-N 3.01Å; F81-Y92 AromaticContact CD2-CE2 3.9Å; F81-Y92 HydrophobicContact CD2-CE2 3.9Å; F81-Y92 HydrophobicContact CE2-CE2 4.41Å; F81-Y92 PolarHBondContact O-OH 2.94Å; F81-D97 HydrophobicContact CB-CB 4.12Å; F81-D97 HydrophobicContact CD1-CB 3.44Å; F81-D97 VanDerWaalsContact CD1-CB 3.44Å; F81-D97 HydrophobicContact CD2-CB 4.35Å; F81-D97 HydrophobicContact CE1-CB 3.79Å; F81-D97 HydrophobicContact CG-CB 3.72Å; F81-D97 HydrophobicContact CZ-CB 4.35Å; F81-V100 HydrophobicContact CB-CB 4.1Å; F81-V100 HydrophobicContact CB-CG1 4Å; F81-M248 HydrophobicContact CD1-CE 4.44Å; F81-M248 HydrophobicContact CD1-SD 3.49Å; F81-M248 WeakPolarHBondContact CD1-SD 3.4Å; F81-M248 HydrophobicContact CE1-CG 4.18Å; F81-M248 HydrophobicContact CE1-SD 3.35Å; F81-M248 WeakPolarHBondContact CE1-SD 3.44Å |
| 82 | K | 96.4 | Very high | 97.6 | Very high | 134 Ų | 134 | 42.8 Ų | 42.8 | 58% | 0.583 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.4 | -38.1 | 178.9 | -68.4 | -172.6 | 178.5 | 179.9 | 0 | 112 | N80 Q85 K86 | N80-K82 VanDerWaalsContact C-N 3.26Å; N80-K82 PolarHBondContact O-N 3.03Å; K82-Q85 PolarHBondContact O-N 3.16Å; K82-K86 PolarHBondContact O-N 3.44Å |
| 83 | Q | 95.9 | Very high | 97.6 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 175.5 | -67.2 | 80.2 | -8.6 | 0 | 0 | 109.5 | N80 Q85 K86 Q87 T218 | N80-Q83 PolarHBondContact O-N 3.15Å; N80-Q83 VanDerWaalsContact O-N 3.12Å; N80-Q83 PolarHBondContact O-OE1 3.37Å; Q83-Q85 PolarHBondContact O-N 3.49Å; Q83-K86 PolarHBondContact O-N 3.35Å; Q83-Q87 VanDerWaalsContact O-CB 3.24Å; Q83-Q87 WeakPolarHBondContact O-CB 3.48Å; Q83-Q87 PolarHBondContact O-N 2.9Å; Q83-T218 HydrophobicContact CG-CG2 4.31Å |
| 84 | L | 96.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.6 | -63.8 | 171 | 0 | 0 | 0 | 112.1 | N80 K86 Q87 F88 V100 L104 M116 | N80-L84 WeakPolarHBondContact O-CG 3.25Å; N80-L84 PolarHBondContact O-N 3.26Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.42Å; L84-K86 PolarHBondContact O-N 2.95Å; L84-Q87 PolarHBondContact O-N 3.07Å; L84-F88 HydrophobicContact CB-CD2 4.44Å; L84-F88 HydrophobicContact CD2-CD2 4.4Å; L84-F88 HydrophobicContact CD2-CE2 3.8Å; L84-F88 WeakPolarHBondContact O-CD2 3.29Å; L84-F88 PolarHBondContact O-N 3.16Å; L84-V100 HydrophobicContact CB-CG2 3.82Å; L84-V100 HydrophobicContact CD1-CG2 3.72Å; L84-V100 HydrophobicContact CG-CG2 4.46Å; L84-L104 HydrophobicContact CD1-CD1 4.07Å; L84-M116 HydrophobicContact CD2-CE 3.4Å; L84-M116 VanDerWaalsContact CD2-CE 3.4Å |
| 85 | Q | 97 | Very high | 97.4 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.9 | -50.6 | 174.9 | -174.2 | -172 | 17 | 0 | 0 | 111.2 | F81 K82 Q83 G89 F90 Y92 | F81-Q85 VanDerWaalsContact O-CB 3.3Å; F81-Q85 WeakPolarHBondContact O-CB 3.31Å; F81-Q85 PolarHBondContact O-N 3.01Å; K82-Q85 PolarHBondContact O-N 3.16Å; Q83-Q85 PolarHBondContact O-N 3.49Å; Q85-G89 WeakPolarHBondContact O-CA 3.25Å; Q85-G89 PolarHBondContact O-N 3.44Å; Q85-F90 HydrophobicContact CG-CB 4.26Å; Q85-F90 VanDerWaalsContact CG-O 3.25Å; Q85-F90 WeakPolarHBondContact CG-O 3.42Å; Q85-F90 PolarHBondContact NE2-O 2.79Å; Q85-F90 PolarHBondContact O-N 3.35Å; Q85-Y92 HydrophobicContact CB-CE1 4.33Å; Q85-Y92 HydrophobicContact CB-CE2 4.42Å; Q85-Y92 HydrophobicContact CG-CD1 4.25Å; Q85-Y92 HydrophobicContact CG-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CE2 4.38Å |
| 86 | K | 96.2 | Very high | 97.4 | Very high | 186 Ų | 186 | 53.8 Ų | 53.8 | 81% | 0.809 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65 | -46.5 | 179.1 | -176.3 | -177.6 | 176.7 | -173.6 | 0 | 111.6 | K82 Q83 L84 F88 G89 | K82-K86 PolarHBondContact O-N 3.44Å; Q83-K86 PolarHBondContact O-N 3.35Å; L84-K86 PolarHBondContact O-N 2.95Å; K86-F88 PolarHBondContact O-N 2.83Å; K86-G89 PolarHBondContact O-N 2.99Å |
| 87 | Q | 95.1 | Very high | 97.4 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | -176 | 179.3 | 64.8 | 14.1 | 0 | 0 | 112.4 | Q83 L84 Y216 | Q83-Q87 VanDerWaalsContact O-CB 3.24Å; Q83-Q87 WeakPolarHBondContact O-CB 3.48Å; Q83-Q87 PolarHBondContact O-N 2.9Å; L84-Q87 PolarHBondContact O-N 3.07Å; Q87-Y216 HydrophobicContact CB-CD1 4.4Å; Q87-Y216 HydrophobicContact CG-CD1 3.6Å; Q87-Y216 HydrophobicContact CG-CE1 3.6Å |
| 88 | F | 96.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -100.5 | 1.6 | -176.1 | -60.8 | -58.7 | 0 | 0 | 0 | 113.8 | L84 K86 F90 L104 M116 Y216 | L84-F88 HydrophobicContact CB-CD2 4.44Å; L84-F88 HydrophobicContact CD2-CD2 4.4Å; L84-F88 HydrophobicContact CD2-CE2 3.8Å; L84-F88 WeakPolarHBondContact O-CD2 3.29Å; L84-F88 PolarHBondContact O-N 3.16Å; K86-F88 PolarHBondContact O-N 2.83Å; F88-F90 VanDerWaalsContact C-N 3.35Å; F88-F90 HydrophobicContact CB-CD1 3.9Å; F88-F90 HydrophobicContact CB-CD2 4.07Å; F88-F90 HydrophobicContact CB-CE1 3.5Å; F88-F90 HydrophobicContact CB-CE2 3.69Å; F88-F90 HydrophobicContact CB-CG 4.18Å; F88-F90 HydrophobicContact CB-CZ 3.39Å; F88-F90 AromaticContact CD2-CE2 3.76Å; F88-F90 HydrophobicContact CD2-CE2 3.76Å; F88-F90 AromaticContact CD2-CZ 3.83Å; F88-F90 HydrophobicContact CD2-CZ 3.83Å; F88-F90 HydrophobicContact CG-CE1 4.37Å; F88-F90 HydrophobicContact CG-CE2 4.12Å; F88-F90 AromaticContact CG-CZ 3.85Å; F88-F90 HydrophobicContact CG-CZ 3.85Å; F88-F90 PolarHBondContact O-N 3.44Å; F88-L104 HydrophobicContact CD2-CD2 4.27Å; F88-L104 HydrophobicContact CE2-CD2 4.09Å; F88-M116 HydrophobicContact CE2-CE 3.88Å; F88-M116 HydrophobicContact CZ-CE 3.96Å; F88-Y216 HydrophobicContact CZ-CE1 4.22Å |
| 89 | G | 97.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q85 K86 | Q85-G89 WeakPolarHBondContact O-CA 3.25Å; Q85-G89 PolarHBondContact O-N 3.44Å; K86-G89 PolarHBondContact O-N 2.99Å |
| 90 | F | 97.9 | Very high | 97.4 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 9% | 0.088 | 26% | 0.26 | C | S | . | . | trans | -76.5 | 128.5 | -178.7 | -60.3 | -38.9 | 0 | 0 | 0 | 111.9 | Q85 F88 Y92 H103 L104 | Q85-F90 HydrophobicContact CG-CB 4.26Å; Q85-F90 VanDerWaalsContact CG-O 3.25Å; Q85-F90 WeakPolarHBondContact CG-O 3.42Å; Q85-F90 PolarHBondContact NE2-O 2.79Å; Q85-F90 PolarHBondContact O-N 3.35Å; F88-F90 VanDerWaalsContact C-N 3.35Å; F88-F90 HydrophobicContact CB-CD1 3.9Å; F88-F90 HydrophobicContact CB-CD2 4.07Å; F88-F90 HydrophobicContact CB-CE1 3.5Å; F88-F90 HydrophobicContact CB-CE2 3.69Å; F88-F90 HydrophobicContact CB-CG 4.18Å; F88-F90 HydrophobicContact CB-CZ 3.39Å; F88-F90 AromaticContact CD2-CE2 3.76Å; F88-F90 HydrophobicContact CD2-CE2 3.76Å; F88-F90 AromaticContact CD2-CZ 3.83Å; F88-F90 HydrophobicContact CD2-CZ 3.83Å; F88-F90 HydrophobicContact CG-CE1 4.37Å; F88-F90 HydrophobicContact CG-CE2 4.12Å; F88-F90 AromaticContact CG-CZ 3.85Å; F88-F90 HydrophobicContact CG-CZ 3.85Å; F88-F90 PolarHBondContact O-N 3.44Å; F90-Y92 HydrophobicContact CB-CD1 3.85Å; F90-Y92 HydrophobicContact CB-CE1 3.39Å; F90-Y92 HydrophobicContact CD2-CE1 4.08Å; F90-Y92 HydrophobicContact CG-CE1 4.16Å; F90-H103 HydrophobicContact CB-CB 4.28Å; F90-H103 HydrophobicContact CD1-CB 3.75Å; F90-H103 HydrophobicContact CD2-CB 3.62Å; F90-H103 HydrophobicContact CE1-CB 3.83Å; F90-H103 HydrophobicContact CE2-CB 3.71Å; F90-H103 HydrophobicContact CG-CB 3.64Å; F90-H103 AromaticContact CG-CG 3.91Å; F90-H103 HydrophobicContact CZ-CB 3.81Å; F90-L104 HydrophobicContact CE2-CD2 4.12Å; F90-L104 HydrophobicContact CE2-CG 4.33Å; F90-L104 HydrophobicContact CZ-CD2 4.21Å | ||
| 91 | E | 97.8 | Very high | 97.5 | Very high | 152 Ų | 152 | 52.6 Ų | 52.6 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | trans | -91.5 | 108.1 | 172.7 | -67 | 177.5 | 175.1 | 0 | 0 | 109.7 | H103 | E91-H103 PolarHBondContact O-CE1 3.2Š| ||
| 92 | Y | 98.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | trans | -88.3 | 148.5 | -177.8 | -72.9 | 10.1 | 0 | 0 | 0 | 112 | F81 Q85 F90 T94 E99 V100 H103 | F81-Y92 AromaticContact CD2-CE2 3.9Å; F81-Y92 HydrophobicContact CD2-CE2 3.9Å; F81-Y92 HydrophobicContact CE2-CE2 4.41Å; F81-Y92 PolarHBondContact O-OH 2.94Å; Q85-Y92 HydrophobicContact CB-CE1 4.33Å; Q85-Y92 HydrophobicContact CB-CE2 4.42Å; Q85-Y92 HydrophobicContact CG-CD1 4.25Å; Q85-Y92 HydrophobicContact CG-CE1 4.01Å; Q85-Y92 HydrophobicContact CG-CE2 4.38Å; F90-Y92 HydrophobicContact CB-CD1 3.85Å; F90-Y92 HydrophobicContact CB-CE1 3.39Å; F90-Y92 HydrophobicContact CD2-CE1 4.08Å; F90-Y92 HydrophobicContact CG-CE1 4.16Å; Y92-T94 WeakPolarHBondContact CB-O 3.44Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.49Å; Y92-E99 HydrophobicContact CD1-CG 4.42Å; Y92-E99 HydrophobicContact CD2-CB 4.22Å; Y92-E99 HydrophobicContact CD2-CG 4.41Å; Y92-E99 HydrophobicContact CE2-CB 4.34Å; Y92-E99 HydrophobicContact CG-CG 4.28Å; Y92-V100 VanDerWaalsContact OH-CA 3.29Å; Y92-V100 WeakPolarHBondContact OH-CA 3.44Å; Y92-V100 WeakPolarHBondContact OH-CB 3.21Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.13Å; Y92-H103 AromaticContact CD1-CD2 3.49Å; Y92-H103 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H103 WeakPolarHBondContact CD1-CD2 3.47Å; Y92-H103 AromaticContact CD1-CE1 3.95Å; Y92-H103 AromaticContact CD1-NE2 3.27Å; Y92-H103 VanDerWaalsContact CD1-NE2 3.27Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.21Å; Y92-H103 AromaticContact CE1-CD2 3.29Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.43Å; Y92-H103 AromaticContact CE1-CG 3.91Å; Y92-H103 AromaticContact CE1-NE2 3.62Å | ||
| 93 | Q | 98.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 46 Ų | 46 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -92 | -30.8 | 172.2 | -169.2 | -177.1 | -69.6 | 0 | 0 | 112.2 | V64 K65 E99 | V64-Q93 HydrophobicContact CB-CB 4.18Å; V64-Q93 HydrophobicContact CG1-CB 4Å; K65-Q93 VanDerWaalsContact CB-OE1 3.25Å; Q93-E99 PolarHBondContact N-OE1 3.5Å; Q93-E99 PolarHBondContact N-OE2 2.81Å |
| 94 | T | 97.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -112.1 | 178.6 | 179 | 74.1 | 0 | 0 | 0 | 0 | 110.2 | Y92 V96 E99 | Y92-T94 WeakPolarHBondContact CB-O 3.44Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.26Å; T94-V96 PolarHBondContact OG1-N 3.35Å; T94-E99 WeakPolarHBondContact CA-OE2 3.34Å; T94-E99 VanDerWaalsContact CB-OE2 3.28Å; T94-E99 WeakPolarHBondContact CB-OE2 3.48Å; T94-E99 PolarHBondContact N-OE2 3.37Å; T94-E99 PolarHBondContact OG1-OE2 3.39Å |
| 95 | L | 96.9 | Very high | 97.9 | Very high | 110 Ų | 110 | 44 Ų | 44 | 58% | 0.576 | 22% | 0.22 | S | C | * | . | trans | -111.3 | 7.9 | 172.7 | -55.2 | 174.8 | 0 | 0 | 0 | 111.8 | V53 D54 | V53-L95 WeakPolarHBondContact CG1-O 3.33Å; D54-L95 VanDerWaalsContact CB-C 3.48Å; D54-L95 HydrophobicContact CB-CB 3.77Å; D54-L95 WeakPolarHBondContact OD2-CA 3.45Å; D54-L95 PolarHBondContact OD2-N 3.17Å | ||
| 96 | V | 98 | Very high | 97.9 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | trans | -77.7 | 138.7 | 178.5 | 84.6 | 0 | 0 | 0 | 0 | 110 | D54 I62 T94 G98 E99 | D54-V96 HydrophobicContact CB-CB 4.21Å; D54-V96 PolarHBondContact OD2-N 3.44Å; I62-V96 HydrophobicContact CD1-CG1 3.63Å; T94-V96 WeakPolarHBondContact OG1-CG1 3.26Å; T94-V96 PolarHBondContact OG1-N 3.35Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 2.69Å; V96-E99 HydrophobicContact CG1-CB 4.37Å; V96-E99 PolarHBondContact O-N 3.37Å | ||
| 97 | D | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.9 | -177.6 | 55.2 | -66.9 | 0 | 0 | 0 | 112.3 | Y74 E77 I78 F81 E99 V100 M248 | Y74-D97 PolarHBondContact OH-OD1 2.95Å; Y74-D97 PolarHBondContact OH-OD2 3.24Å; E77-D97 WeakPolarHBondContact CA-OD2 2.95Å; I78-D97 HydrophobicContact CB-CB 4.38Å; I78-D97 PolarHBondContact N-OD2 3.5Å; F81-D97 HydrophobicContact CB-CB 4.12Å; F81-D97 HydrophobicContact CD1-CB 3.44Å; F81-D97 VanDerWaalsContact CD1-CB 3.44Å; F81-D97 HydrophobicContact CD2-CB 4.35Å; F81-D97 HydrophobicContact CE1-CB 3.79Å; F81-D97 HydrophobicContact CG-CB 3.72Å; F81-D97 HydrophobicContact CZ-CB 4.35Å; D97-E99 PolarHBondContact O-N 2.83Å; D97-E99 VanDerWaalsContact O-N 3.14Å; D97-V100 WeakPolarHBondContact O-CG1 3.35Å; D97-V100 PolarHBondContact O-N 3.38Å; D97-M248 HydrophobicContact CB-CE 3.79Å; D97-M248 HydrophobicContact CB-SD 4.32Å |
| 98 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L72 Y74 V96 V100 I101 | L72-G98 VanDerWaalsContact CD2-O 3.29Å; L72-G98 WeakPolarHBondContact CD2-O 3.37Å; Y74-G98 VanDerWaalsContact CZ-CA 3.41Å; Y74-G98 WeakPolarHBondContact OH-CA 3.41Å; Y74-G98 PolarHBondContact OH-N 3.2Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 2.69Å; G98-V100 PolarHBondContact O-N 2.82Å; G98-I101 WeakPolarHBondContact O-CB 3.49Å; G98-I101 PolarHBondContact O-N 3.44Å; G98-I101 VanDerWaalsContact O-N 3.12Å |
| 99 | E | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -28.6 | 174.9 | -176.4 | 173.9 | 158.1 | 0 | 0 | 111.6 | V64 Y92 Q93 T94 V96 D97 I101 L102 H103 | V64-E99 HydrophobicContact CG1-CG 4.16Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.49Å; Y92-E99 HydrophobicContact CD1-CG 4.42Å; Y92-E99 HydrophobicContact CD2-CB 4.22Å; Y92-E99 HydrophobicContact CD2-CG 4.41Å; Y92-E99 HydrophobicContact CE2-CB 4.34Å; Y92-E99 HydrophobicContact CG-CG 4.28Å; Q93-E99 PolarHBondContact N-OE1 3.5Å; Q93-E99 PolarHBondContact N-OE2 2.81Å; T94-E99 WeakPolarHBondContact CA-OE2 3.34Å; T94-E99 VanDerWaalsContact CB-OE2 3.28Å; T94-E99 WeakPolarHBondContact CB-OE2 3.48Å; T94-E99 PolarHBondContact N-OE2 3.37Å; T94-E99 PolarHBondContact OG1-OE2 3.39Å; V96-E99 HydrophobicContact CG1-CB 4.37Å; V96-E99 PolarHBondContact O-N 3.37Å; D97-E99 PolarHBondContact O-N 2.83Å; D97-E99 VanDerWaalsContact O-N 3.14Å; E99-I101 PolarHBondContact O-N 3.49Å; E99-I101 VanDerWaalsContact O-N 3.11Å; E99-L102 WeakPolarHBondContact O-CB 3.37Å; E99-L102 PolarHBondContact O-N 3.13Å; E99-H103 PolarHBondContact O-CD2 3.49Å; E99-H103 PolarHBondContact O-N 3.35Å; E99-H103 IonicContact OE1-CD2 2.89Å; E99-H103 IonicContact OE1-CE1 2.96Å; E99-H103 IonicContact OE1-NE2 3.33Å; E99-H103 PolarHBondContact OE1-NE2 3.13Å |
| 100 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.3 | -32.1 | 176.5 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | I78 F81 L84 Y92 D97 G98 L102 H103 L104 L117 | I78-V100 HydrophobicContact CB-CG1 4.18Å; I78-V100 HydrophobicContact CG1-CG1 4.29Å; I78-V100 HydrophobicContact CG2-CG1 3.79Å; F81-V100 HydrophobicContact CB-CB 4.1Å; F81-V100 HydrophobicContact CB-CG1 4Å; L84-V100 HydrophobicContact CB-CG2 3.82Å; L84-V100 HydrophobicContact CD1-CG2 3.72Å; L84-V100 HydrophobicContact CG-CG2 4.46Å; Y92-V100 VanDerWaalsContact OH-CA 3.29Å; Y92-V100 WeakPolarHBondContact OH-CA 3.44Å; Y92-V100 WeakPolarHBondContact OH-CB 3.21Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.13Å; D97-V100 WeakPolarHBondContact O-CG1 3.35Å; D97-V100 PolarHBondContact O-N 3.38Å; G98-V100 PolarHBondContact O-N 2.82Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 2.93Å; V100-H103 PolarHBondContact O-N 2.92Å; V100-L104 HydrophobicContact CG2-CD1 4.04Å; V100-L104 HydrophobicContact CG2-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.42Å; V100-L117 HydrophobicContact CG1-CD2 4.15Å |
| 101 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 179.3 | -62.1 | 173.8 | 0 | 0 | 0 | 110 | L72 Y74 I78 G98 E99 Y105 T113 L117 F123 | L72-I101 HydrophobicContact CD1-CG2 4.06Å; L72-I101 HydrophobicContact CD2-CB 3.77Å; L72-I101 HydrophobicContact CD2-CD1 4.25Å; L72-I101 HydrophobicContact CD2-CG2 4.03Å; Y74-I101 HydrophobicContact CD2-CD1 4.27Å; Y74-I101 HydrophobicContact CG-CD1 4.38Å; I78-I101 HydrophobicContact CD1-CD1 4.39Å; I78-I101 HydrophobicContact CG1-CD1 4.37Å; G98-I101 WeakPolarHBondContact O-CB 3.49Å; G98-I101 PolarHBondContact O-N 3.44Å; G98-I101 VanDerWaalsContact O-N 3.12Å; E99-I101 PolarHBondContact O-N 3.49Å; E99-I101 VanDerWaalsContact O-N 3.11Å; I101-Y105 WeakPolarHBondContact O-CB 3.4Å; I101-Y105 PolarHBondContact O-N 3.26Å; I101-T113 HydrophobicContact CB-CG2 4.49Å; I101-T113 HydrophobicContact CG2-CG2 3.95Å; I101-L117 HydrophobicContact CD1-CD1 4.26Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.01Å; I101-F123 HydrophobicContact CD1-CD1 4.45Å |
| 102 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 177.4 | -62.2 | -178.7 | 0 | 0 | 0 | 111.6 | I62 V64 F67 L70 L72 E99 V100 N106 L125 | I62-L102 HydrophobicContact CB-CD1 4.44Å; I62-L102 HydrophobicContact CG2-CD1 3.78Å; V64-L102 HydrophobicContact CG1-CD1 4.1Å; V64-L102 HydrophobicContact CG2-CD1 3.92Å; F67-L102 HydrophobicContact CD2-CB 3.96Å; F67-L102 HydrophobicContact CE2-CB 4.22Å; L70-L102 HydrophobicContact CB-CD2 3.88Å; L70-L102 HydrophobicContact CD1-CD2 4.12Å; L72-L102 HydrophobicContact CB-CD2 3.68Å; L72-L102 HydrophobicContact CB-CG 4.31Å; L72-L102 HydrophobicContact CD2-CD2 4.12Å; L72-L102 HydrophobicContact CD2-CG 4.03Å; E99-L102 WeakPolarHBondContact O-CB 3.37Å; E99-L102 PolarHBondContact O-N 3.13Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 2.93Å; L102-N106 WeakPolarHBondContact O-CB 3.49Å; L102-N106 PolarHBondContact O-N 3.02Å; L102-L125 HydrophobicContact CD2-CD1 3.74Å |
| 103 | H | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.6 | -42.1 | -179.2 | -69 | -86.8 | 0 | 0 | 0 | 112.3 | F67 F90 E91 Y92 E99 V100 R107 | F67-H103 AromaticContact CE2-CE1 3.71Å; F67-H103 AromaticContact CE2-CG 3.86Å; F67-H103 AromaticContact CE2-ND1 3.53Å; F67-H103 AromaticContact CZ-ND1 3.59Å; F90-H103 HydrophobicContact CB-CB 4.28Å; F90-H103 HydrophobicContact CD1-CB 3.75Å; F90-H103 HydrophobicContact CD2-CB 3.62Å; F90-H103 HydrophobicContact CE1-CB 3.83Å; F90-H103 HydrophobicContact CE2-CB 3.71Å; F90-H103 HydrophobicContact CG-CB 3.64Å; F90-H103 AromaticContact CG-CG 3.91Å; F90-H103 HydrophobicContact CZ-CB 3.81Å; E91-H103 PolarHBondContact O-CE1 3.2Å; Y92-H103 AromaticContact CD1-CD2 3.49Å; Y92-H103 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H103 WeakPolarHBondContact CD1-CD2 3.47Å; Y92-H103 AromaticContact CD1-CE1 3.95Å; Y92-H103 AromaticContact CD1-NE2 3.27Å; Y92-H103 VanDerWaalsContact CD1-NE2 3.27Å; Y92-H103 WeakPolarHBondContact CD1-NE2 3.21Å; Y92-H103 AromaticContact CE1-CD2 3.29Å; Y92-H103 WeakPolarHBondContact CE1-CD2 3.43Å; Y92-H103 AromaticContact CE1-CG 3.91Å; Y92-H103 AromaticContact CE1-NE2 3.62Å; E99-H103 PolarHBondContact O-CD2 3.49Å; E99-H103 PolarHBondContact O-N 3.35Å; E99-H103 IonicContact OE1-CD2 2.89Å; E99-H103 IonicContact OE1-CE1 2.96Å; E99-H103 IonicContact OE1-NE2 3.33Å; E99-H103 PolarHBondContact OE1-NE2 3.13Å; V100-H103 PolarHBondContact O-N 2.92Å; H103-R107 VanDerWaalsContact O-CB 3.31Å; H103-R107 WeakPolarHBondContact O-CB 3.28Å; H103-R107 PolarHBondContact O-N 3.5Å |
| 104 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.4 | -74.3 | 175.1 | 0 | 0 | 0 | 111.4 | L84 F88 F90 V100 N106 R107 G108 T113 M116 L117 | L84-L104 HydrophobicContact CD1-CD1 4.07Å; F88-L104 HydrophobicContact CD2-CD2 4.27Å; F88-L104 HydrophobicContact CE2-CD2 4.09Å; F90-L104 HydrophobicContact CE2-CD2 4.12Å; F90-L104 HydrophobicContact CE2-CG 4.33Å; F90-L104 HydrophobicContact CZ-CD2 4.21Å; V100-L104 HydrophobicContact CG2-CD1 4.04Å; V100-L104 HydrophobicContact CG2-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.25Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.42Å; L104-N106 PolarHBondContact O-N 3.04Å; L104-R107 WeakPolarHBondContact O-CB 3.47Å; L104-R107 PolarHBondContact O-N 2.88Å; L104-R107 VanDerWaalsContact O-N 3.09Å; L104-G108 PolarHBondContact O-N 2.8Å; L104-T113 HydrophobicContact CB-CG2 3.92Å; L104-T113 WeakPolarHBondContact CB-OG1 3.47Å; L104-T113 HydrophobicContact CD1-CG2 4.33Å; L104-M116 HydrophobicContact CD1-CB 4.02Å; L104-M116 HydrophobicContact CD2-CB 4.45Å; L104-L117 HydrophobicContact CD1-CD2 3.82Å |
| 105 | Y | 98.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | -180 | 173.2 | -98 | 0 | 0 | 0 | 111.3 | L70 I101 R107 G108 G109 I110 T113 L125 D127 F134 | L70-Y105 HydrophobicContact CD1-CD1 3.84Å; L70-Y105 HydrophobicContact CD1-CE1 4.37Å; L70-Y105 HydrophobicContact CD2-CD1 3.95Å; L70-Y105 HydrophobicContact CD2-CE1 3.68Å; I101-Y105 WeakPolarHBondContact O-CB 3.4Å; I101-Y105 PolarHBondContact O-N 3.26Å; Y105-R107 PolarHBondContact O-N 2.72Å; Y105-G108 PolarHBondContact O-N 3.39Å; Y105-G109 WeakPolarHBondContact O-CA 3.33Å; Y105-G109 PolarHBondContact O-N 3.06Å; Y105-I110 HydrophobicContact CD2-CB 4.33Å; Y105-I110 HydrophobicContact CD2-CD1 4.47Å; Y105-I110 HydrophobicContact CE2-CB 4.35Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.33Å; Y105-T113 PolarHBondContact N-OG1 3.08Å; Y105-L125 HydrophobicContact CD1-CD2 3.89Å; Y105-L125 HydrophobicContact CD2-CD2 3.56Å; Y105-L125 HydrophobicContact CE1-CD2 4.35Å; Y105-L125 HydrophobicContact CE2-CD2 4.05Å; Y105-L125 HydrophobicContact CG-CD2 3.48Å; Y105-L125 VanDerWaalsContact CG-CD2 3.48Å; Y105-D127 HydrophobicContact CE1-CB 4.17Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.42Å; Y105-D127 PolarHBondContact OH-OD2 2.86Å; Y105-D127 VanDerWaalsContact OH-OD2 3.08Å; Y105-F134 HydrophobicContact CD2-CE2 4.49Å; Y105-F134 AromaticContact CE2-CD2 3.97Å; Y105-F134 HydrophobicContact CE2-CD2 3.97Å; Y105-F134 HydrophobicContact CE2-CE1 4.28Å; Y105-F134 AromaticContact CE2-CE2 3.41Å; Y105-F134 HydrophobicContact CE2-CE2 3.41Å; Y105-F134 VanDerWaalsContact CE2-CE2 3.41Å; Y105-F134 AromaticContact CE2-CZ 3.57Å; Y105-F134 HydrophobicContact CE2-CZ 3.57Å; Y105-F134 AromaticContact CZ-CE2 3.47Å; Y105-F134 VanDerWaalsContact CZ-CE2 3.47Å; Y105-F134 AromaticContact CZ-CZ 3.84Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 VanDerWaalsContact OH-CZ 3.29Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.24Å |
| 106 | N | 98.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 25.8 Ų | 25.8 | 39% | 0.39 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.8 | -27.1 | 177.5 | -172.3 | 87.1 | 0 | 0 | 0 | 112.5 | F67 Y69 L102 L104 | F67-N106 HydrophobicContact CD1-CB 4.01Å; F67-N106 HydrophobicContact CE1-CB 3.62Å; F67-N106 WeakPolarHBondContact CE1-ND2 3.26Å; F67-N106 HydrophobicContact CZ-CB 3.9Å; Y69-N106 PolarHBondContact OH-OD1 3.21Å; L102-N106 WeakPolarHBondContact O-CB 3.49Å; L102-N106 PolarHBondContact O-N 3.02Å; L104-N106 PolarHBondContact O-N 3.04Å |
| 107 | R | 97.3 | Very high | 97.4 | Very high | 139 Ų | 139 | 25.7 Ų | 25.7 | 53% | 0.525 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -77 | -42.1 | 179.6 | 180 | -178.5 | 176.4 | 99.8 | 3.4 | 112.7 | H103 L104 Y105 | H103-R107 VanDerWaalsContact O-CB 3.31Å; H103-R107 WeakPolarHBondContact O-CB 3.28Å; H103-R107 PolarHBondContact O-N 3.5Å; L104-R107 WeakPolarHBondContact O-CB 3.47Å; L104-R107 PolarHBondContact O-N 2.88Å; L104-R107 VanDerWaalsContact O-N 3.09Å; Y105-R107 PolarHBondContact O-N 2.72Å |
| 108 | G | 96 | Very high | 97.4 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 37% | 0.371 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -153.9 | 19.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L104 Y105 Q112 | L104-G108 PolarHBondContact O-N 2.8Å; Y105-G108 PolarHBondContact O-N 3.39Å; G108-Q112 VanDerWaalsContact CA-OE1 3.3Å; G108-Q112 WeakPolarHBondContact O-CB 3.36Å |
| 109 | G | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 26% | 0.258 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | 76 | -174 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y105 T113 | Y105-G109 WeakPolarHBondContact O-CA 3.33Å; Y105-G109 PolarHBondContact O-N 3.06Å; G109-T113 WeakPolarHBondContact O-CB 2.89Å; G109-T113 PolarHBondContact O-N 2.84Å; G109-T113 VanDerWaalsContact O-N 3.16Å; G109-T113 PolarHBondContact O-OG1 3.04Å |
| 110 | I | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.072 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72 | -37 | -168.6 | -167.7 | 63.2 | 0 | 0 | 0 | 113.2 | Y105 T113 A114 F123 F134 Y185 V187 | Y105-I110 HydrophobicContact CD2-CB 4.33Å; Y105-I110 HydrophobicContact CD2-CD1 4.47Å; Y105-I110 HydrophobicContact CE2-CB 4.35Å; I110-T113 WeakPolarHBondContact O-CB 3.38Å; I110-T113 PolarHBondContact O-N 3.26Å; I110-A114 WeakPolarHBondContact O-CB 3.37Å; I110-A114 PolarHBondContact O-N 2.97Å; I110-F123 HydrophobicContact CD1-CE2 3.8Å; I110-F123 HydrophobicContact CD1-CZ 3.7Å; I110-F134 HydrophobicContact CB-CD1 3.65Å; I110-F134 HydrophobicContact CB-CE1 3.83Å; I110-F134 HydrophobicContact CB-CG 4.29Å; I110-F134 HydrophobicContact CD1-CB 3.76Å; I110-F134 HydrophobicContact CD1-CD1 4.1Å; I110-F134 HydrophobicContact CD1-CG 3.94Å; I110-F134 HydrophobicContact CG1-CB 4.06Å; I110-F134 HydrophobicContact CG1-CD1 3.62Å; I110-F134 HydrophobicContact CG1-CE1 4.32Å; I110-F134 HydrophobicContact CG1-CG 3.99Å; I110-F134 HydrophobicContact CG2-CD1 3.8Å; I110-F134 HydrophobicContact CG2-CE1 3.74Å; I110-Y185 HydrophobicContact CG1-CD2 3.89Å; I110-Y185 HydrophobicContact CG1-CE2 4.46Å; I110-Y185 HydrophobicContact CG1-CG 4.06Å; I110-Y185 HydrophobicContact CG2-CD2 3.79Å; I110-Y185 HydrophobicContact CG2-CE2 3.53Å; I110-V187 HydrophobicContact CG2-CG2 4.13Å |
| 111 | E | 95.7 | Very high | 97.3 | Very high | 120 Ų | 120 | 26.2 Ų | 26.2 | 56% | 0.561 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -64.1 | -52.9 | -179.2 | -175.5 | 177.9 | -146.6 | 0 | 0 | 110.9 | T113 A114 C115 Y185 | E111-T113 PolarHBondContact O-N 2.84Å; E111-A114 PolarHBondContact O-N 3.25Å; E111-C115 PolarHBondContact O-N 2.92Å; E111-C115 VanDerWaalsContact O-N 3.14Å; E111-C115 PolarHBondContact O-SG 2.62Å; E111-C115 VanDerWaalsContact O-SG 3.36Å; E111-Y185 HydrophobicContact CB-CE1 4.22Å; E111-Y185 HydrophobicContact CG-CE1 4.33Å |
| 112 | Q | 93.8 | Very high | 97.3 | Very high | 73 Ų | 73 | 26.2 Ų | 26.2 | 34% | 0.341 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 175.4 | -177.2 | 170.5 | 16.4 | 0 | 0 | 111 | G108 M116 | G108-Q112 VanDerWaalsContact CA-OE1 3.3Å; G108-Q112 WeakPolarHBondContact O-CB 3.36Å; Q112-M116 HydrophobicContact CG-CG 4.13Å; Q112-M116 VanDerWaalsContact O-CB 3.26Å; Q112-M116 WeakPolarHBondContact O-CB 3.48Å; Q112-M116 WeakPolarHBondContact O-CG 3.38Å; Q112-M116 PolarHBondContact O-N 3.14Å |
| 113 | T | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -57.1 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | I101 L104 Y105 G109 I110 E111 C115 M116 L117 | I101-T113 HydrophobicContact CB-CG2 4.49Å; I101-T113 HydrophobicContact CG2-CG2 3.95Å; L104-T113 HydrophobicContact CB-CG2 3.92Å; L104-T113 WeakPolarHBondContact CB-OG1 3.47Å; L104-T113 HydrophobicContact CD1-CG2 4.33Å; Y105-T113 WeakPolarHBondContact CA-OG1 3.33Å; Y105-T113 PolarHBondContact N-OG1 3.08Å; G109-T113 WeakPolarHBondContact O-CB 2.89Å; G109-T113 PolarHBondContact O-N 2.84Å; G109-T113 VanDerWaalsContact O-N 3.16Å; G109-T113 PolarHBondContact O-OG1 3.04Å; I110-T113 WeakPolarHBondContact O-CB 3.38Å; I110-T113 PolarHBondContact O-N 3.26Å; E111-T113 PolarHBondContact O-N 2.84Å; T113-C115 VanDerWaalsContact C-N 3.3Å; T113-C115 PolarHBondContact O-N 3.32Å; T113-M116 PolarHBondContact O-N 3.24Å; T113-M116 VanDerWaalsContact O-N 3.07Å; T113-L117 HydrophobicContact CG2-CD1 4.48Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å |
| 114 | A | 95.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -41.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I110 E111 M116 Y185 F204 | I110-A114 WeakPolarHBondContact O-CB 3.37Å; I110-A114 PolarHBondContact O-N 2.97Å; E111-A114 PolarHBondContact O-N 3.25Å; A114-M116 VanDerWaalsContact C-N 3.3Å; A114-M116 PolarHBondContact O-N 3.45Å; A114-Y185 HydrophobicContact CB-CD1 3.9Å; A114-F204 HydrophobicContact CB-CB 4.1Å; A114-F204 HydrophobicContact CB-CD1 3.82Å; A114-F204 HydrophobicContact CB-CD2 3.95Å; A114-F204 HydrophobicContact CB-CE1 4.2Å; A114-F204 HydrophobicContact CB-CE2 4.34Å; A114-F204 HydrophobicContact CB-CG 3.69Å; A114-F204 HydrophobicContact CB-CZ 4.46Å; A114-F204 WeakPolarHBondContact O-CE2 3.3Å |
| 115 | C | 94.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 26 Ų | 26 | 14% | 0.142 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.8 | -18.1 | -179.5 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | E111 T113 F204 L212 | E111-C115 PolarHBondContact O-N 2.92Å; E111-C115 VanDerWaalsContact O-N 3.14Å; E111-C115 PolarHBondContact O-SG 2.62Å; E111-C115 VanDerWaalsContact O-SG 3.36Å; T113-C115 VanDerWaalsContact C-N 3.3Å; T113-C115 PolarHBondContact O-N 3.32Å; C115-F204 PolarHBondContact SG-O 3.42Å; C115-F204 VanDerWaalsContact SG-O 3.4Å; C115-L212 HydrophobicContact CB-CB 4.48Å; C115-L212 HydrophobicContact CB-CD1 3.87Å; C115-L212 HydrophobicContact CB-CG 4.48Å |
| 116 | M | 96.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -96.1 | -8.3 | -174.1 | -72.9 | -70.3 | -58.2 | 0 | 0 | 114 | N80 L84 F88 L104 Q112 T113 A114 D118 H213 Y216 | N80-M116 PolarHBondContact ND2-O 3.46Å; L84-M116 HydrophobicContact CD2-CE 3.4Å; L84-M116 VanDerWaalsContact CD2-CE 3.4Å; F88-M116 HydrophobicContact CE2-CE 3.88Å; F88-M116 HydrophobicContact CZ-CE 3.96Å; L104-M116 HydrophobicContact CD1-CB 4.02Å; L104-M116 HydrophobicContact CD2-CB 4.45Å; Q112-M116 HydrophobicContact CG-CG 4.13Å; Q112-M116 VanDerWaalsContact O-CB 3.26Å; Q112-M116 WeakPolarHBondContact O-CB 3.48Å; Q112-M116 WeakPolarHBondContact O-CG 3.38Å; Q112-M116 PolarHBondContact O-N 3.14Å; T113-M116 PolarHBondContact O-N 3.24Å; T113-M116 VanDerWaalsContact O-N 3.07Å; A114-M116 VanDerWaalsContact C-N 3.3Å; A114-M116 PolarHBondContact O-N 3.45Å; M116-D118 PolarHBondContact O-N 3.34Å; M116-H213 VanDerWaalsContact O-CB 3.31Å; M116-H213 WeakPolarHBondContact O-CB 3.49Å; M116-Y216 HydrophobicContact CE-CD2 3.38Å; M116-Y216 HydrophobicContact CE-CE2 3.12Å; M116-Y216 HydrophobicContact CE-CG 4.3Å; M116-Y216 HydrophobicContact SD-CD2 4.18Å; M116-Y216 HydrophobicContact SD-CE2 3.65Å |
| 117 | L | 97.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | trans | -83.1 | 111.9 | -177.7 | -59.6 | 177.9 | 0 | 0 | 0 | 110.9 | I78 V100 I101 L104 T113 G119 F121 F123 | I78-L117 HydrophobicContact CD1-CB 4.31Å; I78-L117 HydrophobicContact CD1-CD1 4.16Å; I78-L117 HydrophobicContact CD1-CD2 4.23Å; I78-L117 HydrophobicContact CD1-CG 4.44Å; I78-L117 HydrophobicContact CG1-CD2 4.4Å; I78-L117 HydrophobicContact CG2-CB 4.47Å; I78-L117 HydrophobicContact CG2-CD2 3.78Å; V100-L117 HydrophobicContact CG1-CD2 4.15Å; I101-L117 HydrophobicContact CD1-CD1 4.26Å; I101-L117 HydrophobicContact CG1-CD1 4.07Å; I101-L117 HydrophobicContact CG1-CD2 4.01Å; L104-L117 HydrophobicContact CD1-CD2 3.82Å; T113-L117 HydrophobicContact CG2-CD1 4.48Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; L117-G119 PolarHBondContact O-N 3.07Å; L117-F121 HydrophobicContact CB-CD1 4.17Å; L117-F121 HydrophobicContact CB-CE1 3.51Å; L117-F121 HydrophobicContact CB-CZ 4.11Å; L117-F121 HydrophobicContact CD1-CD1 3.98Å; L117-F121 HydrophobicContact CD1-CD2 4.41Å; L117-F121 HydrophobicContact CD1-CE1 3.65Å; L117-F121 HydrophobicContact CD1-CE2 4.1Å; L117-F121 HydrophobicContact CD1-CG 4.36Å; L117-F121 HydrophobicContact CD1-CZ 3.7Å; L117-F121 HydrophobicContact CG-CE1 4.21Å; L117-F121 HydrophobicContact CG-CZ 4.49Å; L117-F123 HydrophobicContact CD1-CE1 4.48Å | ||
| 118 | D | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | trans | -89.4 | 93.3 | 165.3 | -170.7 | 17.9 | 0 | 0 | 0 | 109 | I78 Y79 N80 M116 H213 K245 H423 | I78-D118 CarbonylContact C-O 3.35Å; Y79-D118 WeakPolarHBondContact CB-O 3.41Å; Y79-D118 PolarHBondContact N-O 3.23Å; N80-D118 HydrophobicContact CB-CB 3.73Å; N80-D118 VanDerWaalsContact CG-CB 3.42Å; N80-D118 PolarHBondContact ND2-N 3Å; N80-D118 PolarHBondContact OD1-N 3.37Å; N80-D118 VanDerWaalsContact OD1-N 3.11Å; M116-D118 PolarHBondContact O-N 3.34Å; D118-H213 VanDerWaalsContact CB-CE1 3.47Å; D118-H213 WeakPolarHBondContact CB-CE1 3.49Å; D118-H213 WeakPolarHBondContact CB-ND1 3.33Å; D118-H213 IonicContact OD1-CE1 3.55Å; D118-H213 PolarHBondContact OD1-CE1 2.67Å; D118-H213 VanDerWaalsContact OD1-CE1 3.32Å; D118-H213 IonicContact OD1-NE2 2.69Å; D118-K245 IonicContact OD1-NZ 3.81Å; D118-K245 VanDerWaalsContact OD2-CD 3.28Å; D118-K245 WeakPolarHBondContact OD2-CD 3.38Å; D118-K245 WeakPolarHBondContact OD2-CE 3.33Å; D118-K245 IonicContact OD2-NZ 2.68Å; D118-K245 PolarHBondContact OD2-NZ 3.43Å; D118-H423 IonicContact OD1-ND1 3.89Å; D118-H423 PolarHBondContact OD1-ND1 2.93Å | ||
| 119 | G | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E77 L117 H423 | E77-G119 WeakPolarHBondContact O-CA 3.33Å; L117-G119 PolarHBondContact O-N 3.07Å; G119-H423 PolarHBondContact O-CE1 3.15Å |
| 120 | V | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.3 | 171.1 | -63.7 | 0 | 0 | 0 | 0 | 107.5 | G76 E77 V142 R143 | G76-V120 CarbonylContact C-O 3.55Å; G76-V120 WeakPolarHBondContact CA-O 3.46Å; E77-V120 HydrophobicContact CB-CG2 4.49Å; E77-V120 PolarHBondContact N-O 2.89Å; E77-V120 PolarHBondContact O-N 3.13Å; E77-V120 VanDerWaalsContact O-N 3.08Å; V120-V142 HydrophobicContact CB-CB 3.88Å; V120-V142 HydrophobicContact CB-CG1 3.99Å; 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 4.38Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.1Å |
| 121 | F | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 146.7 | -170.2 | 57.4 | -95.6 | 0 | 0 | 0 | 112.6 | N75 I78 L117 F123 R137 D138 F204 | N75-F121 CarbonylContact O-C 3.52Å; N75-F121 WeakPolarHBondContact O-CA 3.43Å; I78-F121 HydrophobicContact CD1-CB 4.09Å; I78-F121 HydrophobicContact CD1-CD1 3.74Å; I78-F121 HydrophobicContact CD1-CG 4.21Å; L117-F121 HydrophobicContact CB-CD1 4.17Å; L117-F121 HydrophobicContact CB-CE1 3.51Å; L117-F121 HydrophobicContact CB-CZ 4.11Å; L117-F121 HydrophobicContact CD1-CD1 3.98Å; L117-F121 HydrophobicContact CD1-CD2 4.41Å; L117-F121 HydrophobicContact CD1-CE1 3.65Å; L117-F121 HydrophobicContact CD1-CE2 4.1Å; L117-F121 HydrophobicContact CD1-CG 4.36Å; L117-F121 HydrophobicContact CD1-CZ 3.7Å; L117-F121 HydrophobicContact CG-CE1 4.21Å; L117-F121 HydrophobicContact CG-CZ 4.49Å; F121-F123 AromaticContact CD2-CD1 3.57Å; F121-F123 HydrophobicContact CD2-CD1 3.57Å; F121-F123 AromaticContact CD2-CE1 3.87Å; F121-F123 HydrophobicContact CD2-CE1 3.87Å; F121-F123 AromaticContact CE2-CD1 3.93Å; F121-F123 HydrophobicContact CE2-CD1 3.93Å; F121-F123 AromaticContact CE2-CE1 3.71Å; F121-F123 HydrophobicContact CE2-CE1 3.71Å; F121-F123 HydrophobicContact CG-CD1 4.48Å; F121-R137 CarbonylContact O-C 3.52Å; F121-R137 WeakPolarHBondContact O-CA 3.18Å; F121-D138 HydrophobicContact CD1-CB 4Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.03Å; F121-D138 HydrophobicContact CE2-CB 4.49Å; F121-D138 HydrophobicContact CG-CB 4.21Å; F121-D138 HydrophobicContact CZ-CB 4.3Å; F121-D138 PolarHBondContact N-OD2 3.32Å; F121-D138 PolarHBondContact O-N 2.96Å; F121-F204 HydrophobicContact CE2-CZ 4.41Å; F121-F204 AromaticContact CZ-CZ 3.93Å; F121-F204 HydrophobicContact CZ-CZ 3.93Å |
| 122 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | I4 Y74 N75 G136 R143 P144 L145 | I4-A122 HydrophobicContact CD1-CB 4.27Å; I4-A122 WeakPolarHBondContact CD1-O 3.48Å; Y74-A122 CarbonylContact C-O 3.6Å; Y74-A122 WeakPolarHBondContact CA-O 3.33Å; Y74-A122 WeakPolarHBondContact CB-O 3.46Å; N75-A122 PolarHBondContact N-O 3.44Å; N75-A122 PolarHBondContact O-N 3.11Å; A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.22Å; A122-R143 HydrophobicContact CB-CB 4.14Å; A122-P144 VanDerWaalsContact CB-O 3.3Å; A122-P144 WeakPolarHBondContact CB-O 3.43Å; A122-L145 HydrophobicContact CB-CB 3.87Å; A122-L145 HydrophobicContact CB-CD1 4.2Å; A122-L145 HydrophobicContact CB-CD2 4.39Å; A122-L145 HydrophobicContact CB-CG 4.39Å |
| 123 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.4 | -178.5 | 71.1 | -107 | 0 | 0 | 0 | 113.6 | L72 C73 I101 I110 L117 F121 L125 F134 L135 G136 | L72-F123 HydrophobicContact CD1-CB 3.98Å; C73-F123 CarbonylContact O-C 3.6Å; C73-F123 VanDerWaalsContact O-CA 3.28Å; C73-F123 WeakPolarHBondContact O-CA 3.5Å; I101-F123 HydrophobicContact CD1-CD1 4.45Å; I110-F123 HydrophobicContact CD1-CE2 3.8Å; I110-F123 HydrophobicContact CD1-CZ 3.7Å; L117-F123 HydrophobicContact CD1-CE1 4.48Å; F121-F123 AromaticContact CD2-CD1 3.57Å; F121-F123 HydrophobicContact CD2-CD1 3.57Å; F121-F123 AromaticContact CD2-CE1 3.87Å; F121-F123 HydrophobicContact CD2-CE1 3.87Å; F121-F123 AromaticContact CE2-CD1 3.93Å; F121-F123 HydrophobicContact CE2-CD1 3.93Å; F121-F123 AromaticContact CE2-CE1 3.71Å; F121-F123 HydrophobicContact CE2-CE1 3.71Å; F121-F123 HydrophobicContact CG-CD1 4.48Å; F123-L125 HydrophobicContact CD2-CB 4.23Å; F123-L125 HydrophobicContact CE2-CB 4.42Å; F123-F134 HydrophobicContact CE2-CB 4.34Å; F123-L135 WeakPolarHBondContact O-CA 3.38Å; F123-G136 PolarHBondContact N-O 2.6Å; F123-G136 PolarHBondContact O-N 3.49Å; F123-G136 VanDerWaalsContact O-N 3.12Å |
| 124 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.5 | 169.1 | -53.8 | 159.3 | 0 | 0 | 0 | 106 | I4 A6 F8 F45 C73 V133 F134 L135 V157 | I4-I124 HydrophobicContact CD1-CD1 3.97Å; I4-I124 HydrophobicContact CD1-CG1 4.09Å; I4-I124 HydrophobicContact CG1-CD1 4.43Å; A6-I124 HydrophobicContact CB-CD1 3.72Å; A6-I124 HydrophobicContact CB-CG2 4.39Å; F8-I124 HydrophobicContact CE2-CG2 3.95Å; F8-I124 HydrophobicContact CZ-CG2 3.87Å; F45-I124 HydrophobicContact CE1-CB 4.22Å; F45-I124 HydrophobicContact CE1-CG2 3.74Å; F45-I124 HydrophobicContact CZ-CG2 4.39Å; C73-I124 PolarHBondContact N-O 2.89Å; C73-I124 PolarHBondContact O-N 2.81Å; I124-V133 HydrophobicContact CG2-CG1 4.41Å; I124-F134 WeakPolarHBondContact CA-O 3.42Å; I124-L135 HydrophobicContact CB-CD2 4.33Å; I124-L135 HydrophobicContact CG1-CD2 3.96Å; I124-L135 HydrophobicContact CG2-CD2 4Å; I124-V157 HydrophobicContact CD1-CB 3.77Å; I124-V157 HydrophobicContact CD1-CG1 3.66Å; I124-V157 HydrophobicContact CG1-CB 4.27Å; I124-V157 HydrophobicContact CG1-CG1 3.84Å |
| 125 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.7 | 177.4 | 173.6 | 67.4 | 0 | 0 | 0 | 109.2 | L70 W71 L72 L102 Y105 F123 V133 F134 | L70-L125 HydrophobicContact CB-CD1 4.49Å; W71-L125 WeakPolarHBondContact O-CA 3.28Å; L72-L125 HydrophobicContact CB-CD1 4.2Å; L72-L125 HydrophobicContact CD1-CB 4.33Å; L102-L125 HydrophobicContact CD2-CD1 3.74Å; Y105-L125 HydrophobicContact CD1-CD2 3.89Å; Y105-L125 HydrophobicContact CD2-CD2 3.56Å; Y105-L125 HydrophobicContact CE1-CD2 4.35Å; Y105-L125 HydrophobicContact CE2-CD2 4.05Å; Y105-L125 HydrophobicContact CG-CD2 3.48Å; Y105-L125 VanDerWaalsContact CG-CD2 3.48Å; F123-L125 HydrophobicContact CD2-CB 4.23Å; F123-L125 HydrophobicContact CE2-CB 4.42Å; L125-V133 CarbonylContact O-C 3.53Å; L125-V133 WeakPolarHBondContact O-CA 3.32Å; L125-F134 HydrophobicContact CB-CB 4.24Å; L125-F134 HydrophobicContact CB-CD2 4.38Å; L125-F134 HydrophobicContact CD2-CD2 4.07Å; L125-F134 HydrophobicContact CG-CD2 4.17Å; L125-F134 PolarHBondContact N-O 3.43Å; L125-F134 PolarHBondContact O-N 2.77Å |
| 126 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.7 | 173.2 | 161.5 | 68.9 | 0 | 0 | 0 | 109.5 | F8 V37 F45 L70 W71 T128 V133 L190 | F8-L126 HydrophobicContact CE1-CB 4.26Å; F8-L126 HydrophobicContact CE1-CD1 4.25Å; F8-L126 HydrophobicContact CE1-CD2 4.26Å; F8-L126 HydrophobicContact CE1-CG 4.49Å; V37-L126 HydrophobicContact CB-CD2 4.3Å; V37-L126 HydrophobicContact CG1-CD2 3.8Å; V37-L126 HydrophobicContact CG2-CD2 3.56Å; F45-L126 HydrophobicContact CE2-CB 4.42Å; F45-L126 HydrophobicContact CE2-CD2 3.98Å; F45-L126 HydrophobicContact CZ-CB 3.9Å; F45-L126 HydrophobicContact CZ-CD2 4.26Å; L70-L126 WeakPolarHBondContact CA-O 3.35Å; W71-L126 HydrophobicContact CB-CB 4.17Å; W71-L126 HydrophobicContact CB-CD2 4.39Å; W71-L126 HydrophobicContact CG-CD2 4.24Å; W71-L126 PolarHBondContact N-O 3.24Å; W71-L126 PolarHBondContact O-N 2.63Å; L126-T128 HydrophobicContact CD1-CG2 4.07Å; L126-T128 HydrophobicContact CD2-CG2 3.92Å; L126-T128 HydrophobicContact CG-CG2 3.94Å; L126-V133 HydrophobicContact CD1-CG2 3.99Å; L126-L190 HydrophobicContact CD1-CD2 3.74Å |
| 127 | D | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 106.3 | 167.4 | -174.7 | -21.8 | 0 | 0 | 0 | 109.8 | Y69 L70 Y105 A129 N130 R131 K132 F134 | Y69-D127 WeakPolarHBondContact CD2-OD1 3.29Å; L70-D127 HydrophobicContact CD2-CB 3.63Å; Y105-D127 HydrophobicContact CE1-CB 4.17Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.42Å; Y105-D127 PolarHBondContact OH-OD2 2.86Å; Y105-D127 VanDerWaalsContact OH-OD2 3.08Å; D127-A129 WeakPolarHBondContact OD1-CA 3.19Å; D127-A129 WeakPolarHBondContact OD1-CB 3.28Å; D127-A129 PolarHBondContact OD1-N 2.97Å; D127-N130 PolarHBondContact OD1-N 3Å; D127-N130 PolarHBondContact OD2-ND2 2.61Å; D127-R131 CarbonylContact O-C 3.51Å; D127-R131 VanDerWaalsContact O-CA 3.26Å; D127-R131 WeakPolarHBondContact O-CA 3.44Å; D127-R131 PolarHBondContact O-N 3.38Å; D127-K132 PolarHBondContact N-O 2.96Å; D127-K132 PolarHBondContact O-N 3.27Å; D127-F134 HydrophobicContact CB-CE2 4.39Å |
| 128 | T | 98.3 | Very high | 98.5 | Very high | 39 Ų | 39 | 20.1 Ų | 20.1 | 24% | 0.239 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.7 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | V37 F40 Y69 L126 | V37-T128 HydrophobicContact CG1-CG2 3.92Å; F40-T128 HydrophobicContact CD2-CG2 4.39Å; F40-T128 HydrophobicContact CE2-CG2 4.43Å; Y69-T128 WeakPolarHBondContact CA-OG1 3.47Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.26Å; Y69-T128 PolarHBondContact O-N 2.94Å; Y69-T128 PolarHBondContact O-OG1 3.46Å; L126-T128 HydrophobicContact CD1-CG2 4.07Å; L126-T128 HydrophobicContact CD2-CG2 3.92Å; L126-T128 HydrophobicContact CG-CG2 3.94Å |
| 129 | A | 97.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 20 Ų | 20 | 54% | 0.537 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -46 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y69 D127 R131 | Y69-A129 HydrophobicContact CD1-CB 4.27Å; Y69-A129 HydrophobicContact CD2-CB 3.79Å; Y69-A129 HydrophobicContact CE2-CB 4.46Å; Y69-A129 HydrophobicContact CG-CB 3.69Å; D127-A129 WeakPolarHBondContact OD1-CA 3.19Å; D127-A129 WeakPolarHBondContact OD1-CB 3.28Å; D127-A129 PolarHBondContact OD1-N 2.97Å; A129-R131 VanDerWaalsContact C-N 3.34Å |
| 130 | N | 98 | Very high | 98.5 | Very high | 104 Ų | 104 | 20 Ų | 20 | 56% | 0.556 | 11% | 0.105 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.9 | 177.3 | -65.7 | -50.7 | 0 | 0 | 0 | 113.4 | D127 K132 | D127-N130 PolarHBondContact OD1-N 3Å; D127-N130 PolarHBondContact OD2-ND2 2.61Å; N130-K132 HydrophobicContact CB-CG 4.3Å |
| 131 | R | 98.3 | Very high | 98.5 | Very high | 133 Ų | 133 | 19.8 Ų | 19.8 | 50% | 0.502 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 56.6 | -177 | -63.8 | -170.9 | -63.9 | -169.4 | -0.6 | 111.9 | D127 A129 L190 | D127-R131 CarbonylContact O-C 3.51Å; D127-R131 VanDerWaalsContact O-CA 3.26Å; D127-R131 WeakPolarHBondContact O-CA 3.44Å; D127-R131 PolarHBondContact O-N 3.38Å; A129-R131 VanDerWaalsContact C-N 3.34Å; R131-L190 HydrophobicContact CB-CB 4.13Å; R131-L190 WeakPolarHBondContact CB-O 3.49Å; R131-L190 PolarHBondContact O-N 3.06Å |
| 132 | K | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 19.8 Ų | 19.8 | 22% | 0.222 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145 | 179.3 | -64.7 | -67.3 | -171.4 | 168.9 | 0 | 111.3 | D127 N130 F134 V187 L188 D189 | D127-K132 PolarHBondContact N-O 2.96Å; D127-K132 PolarHBondContact O-N 3.27Å; N130-K132 HydrophobicContact CB-CG 4.3Å; K132-F134 HydrophobicContact CB-CD2 4.29Å; K132-F134 HydrophobicContact CB-CE1 4.28Å; K132-F134 HydrophobicContact CB-CE2 3.38Å; K132-F134 HydrophobicContact CB-CZ 3.38Å; K132-F134 HydrophobicContact CG-CE2 4.34Å; K132-F134 HydrophobicContact CG-CZ 3.89Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; K132-L188 CarbonylContact C-O 3.52Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.26Å; K132-D189 WeakPolarHBondContact CE-OD1 3.43Å; K132-D189 IonicContact NZ-OD1 3.61Å; K132-D189 PolarHBondContact NZ-OD1 2.84Å |
| 133 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.5 | 165.8 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | F8 I124 L125 L126 L135 L155 L188 V196 | F8-V133 HydrophobicContact CD1-CG2 3.67Å; F8-V133 HydrophobicContact CD2-CG1 4.47Å; F8-V133 HydrophobicContact CE1-CB 4.45Å; F8-V133 HydrophobicContact CE1-CG1 4.06Å; F8-V133 HydrophobicContact CE1-CG2 3.48Å; F8-V133 VanDerWaalsContact CE1-CG2 3.48Å; F8-V133 HydrophobicContact CE2-CG1 3.89Å; F8-V133 HydrophobicContact CG-CG2 4.34Å; F8-V133 HydrophobicContact CZ-CG1 3.66Å; F8-V133 HydrophobicContact CZ-CG2 4Å; I124-V133 HydrophobicContact CG2-CG1 4.41Å; L125-V133 CarbonylContact O-C 3.53Å; L125-V133 WeakPolarHBondContact O-CA 3.32Å; L126-V133 HydrophobicContact CD1-CG2 3.99Å; V133-L135 HydrophobicContact CG1-CD2 4.39Å; V133-L155 HydrophobicContact CG1-CD2 4.27Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 PolarHBondContact N-O 2.74Å; V133-L188 PolarHBondContact O-N 3Å; V133-V196 HydrophobicContact CG2-CG1 4.06Å |
| 134 | F | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 4% | 0.044 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.1 | 177.3 | -52.2 | -87.9 | 0 | 0 | 0 | 109.8 | Y105 I110 F123 I124 L125 D127 K132 E186 V187 | Y105-F134 HydrophobicContact CD2-CE2 4.49Å; Y105-F134 AromaticContact CE2-CD2 3.97Å; Y105-F134 HydrophobicContact CE2-CD2 3.97Å; Y105-F134 HydrophobicContact CE2-CE1 4.28Å; Y105-F134 AromaticContact CE2-CE2 3.41Å; Y105-F134 HydrophobicContact CE2-CE2 3.41Å; Y105-F134 VanDerWaalsContact CE2-CE2 3.41Å; Y105-F134 AromaticContact CE2-CZ 3.57Å; Y105-F134 HydrophobicContact CE2-CZ 3.57Å; Y105-F134 AromaticContact CZ-CE2 3.47Å; Y105-F134 VanDerWaalsContact CZ-CE2 3.47Å; Y105-F134 AromaticContact CZ-CZ 3.84Å; Y105-F134 WeakPolarHBondContact OH-CE2 3.34Å; Y105-F134 VanDerWaalsContact OH-CZ 3.29Å; Y105-F134 WeakPolarHBondContact OH-CZ 3.24Å; I110-F134 HydrophobicContact CB-CD1 3.65Å; I110-F134 HydrophobicContact CB-CE1 3.83Å; I110-F134 HydrophobicContact CB-CG 4.29Å; I110-F134 HydrophobicContact CD1-CB 3.76Å; I110-F134 HydrophobicContact CD1-CD1 4.1Å; I110-F134 HydrophobicContact CD1-CG 3.94Å; I110-F134 HydrophobicContact CG1-CB 4.06Å; I110-F134 HydrophobicContact CG1-CD1 3.62Å; I110-F134 HydrophobicContact CG1-CE1 4.32Å; I110-F134 HydrophobicContact CG1-CG 3.99Å; I110-F134 HydrophobicContact CG2-CD1 3.8Å; I110-F134 HydrophobicContact CG2-CE1 3.74Å; F123-F134 HydrophobicContact CE2-CB 4.34Å; I124-F134 WeakPolarHBondContact CA-O 3.42Å; L125-F134 HydrophobicContact CB-CB 4.24Å; L125-F134 HydrophobicContact CB-CD2 4.38Å; L125-F134 HydrophobicContact CD2-CD2 4.07Å; L125-F134 HydrophobicContact CG-CD2 4.17Å; L125-F134 PolarHBondContact N-O 3.43Å; L125-F134 PolarHBondContact O-N 2.77Å; D127-F134 HydrophobicContact CB-CE2 4.39Å; K132-F134 HydrophobicContact CB-CD2 4.29Å; K132-F134 HydrophobicContact CB-CE1 4.28Å; K132-F134 HydrophobicContact CB-CE2 3.38Å; K132-F134 HydrophobicContact CB-CZ 3.38Å; K132-F134 HydrophobicContact CG-CE2 4.34Å; K132-F134 HydrophobicContact CG-CZ 3.89Å; F134-E186 VanDerWaalsContact CA-O 3.27Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; F134-V187 HydrophobicContact CD1-CB 4.36Å; F134-V187 HydrophobicContact CD1-CG1 4.25Å; F134-V187 HydrophobicContact CD1-CG2 3.95Å; F134-V187 HydrophobicContact CE1-CB 4.31Å; F134-V187 HydrophobicContact CE1-CG1 3.78Å; F134-V187 HydrophobicContact CE1-CG2 3.93Å |
| 135 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.4 | 168.3 | -50.7 | -176.5 | 0 | 0 | 0 | 107.8 | F123 I124 V133 L145 K147 L155 V157 F180 Y185 E186 L188 | F123-L135 WeakPolarHBondContact O-CA 3.38Å; I124-L135 HydrophobicContact CB-CD2 4.33Å; I124-L135 HydrophobicContact CG1-CD2 3.96Å; I124-L135 HydrophobicContact CG2-CD2 4Å; V133-L135 HydrophobicContact CG1-CD2 4.39Å; L135-L145 HydrophobicContact CB-CD2 4.44Å; L135-K147 HydrophobicContact CD1-CD 4.29Å; L135-L155 HydrophobicContact CD1-CD1 4.47Å; L135-V157 HydrophobicContact CD1-CG2 3.97Å; L135-V157 HydrophobicContact CD2-CG1 4.23Å; L135-V157 HydrophobicContact CD2-CG2 3.86Å; L135-F180 HydrophobicContact CB-CD2 4.17Å; L135-F180 HydrophobicContact CB-CE2 3.55Å; L135-F180 HydrophobicContact CB-CZ 3.77Å; L135-F180 HydrophobicContact CD1-CD2 4.06Å; L135-F180 HydrophobicContact CD1-CE2 3.95Å; L135-F180 HydrophobicContact CG-CE2 4.37Å; L135-Y185 CarbonylContact O-C 3.6Å; L135-Y185 WeakPolarHBondContact O-CA 3.45Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.3Å; L135-E186 HydrophobicContact CB-CB 4.3Å; L135-E186 PolarHBondContact N-O 3.4Å; L135-E186 VanDerWaalsContact N-O 3.07Å; L135-E186 PolarHBondContact O-N 3.43Å; L135-L188 HydrophobicContact CD1-CD1 4.34Å; L135-L188 HydrophobicContact CG-CD1 4.07Å |
| 136 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 145.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A122 F123 H184 | A122-G136 CarbonylContact C-O 3.58Å; A122-G136 WeakPolarHBondContact CA-O 3.22Å; F123-G136 PolarHBondContact N-O 2.6Å; F123-G136 PolarHBondContact O-N 3.49Å; F123-G136 VanDerWaalsContact O-N 3.12Å; G136-H184 WeakPolarHBondContact CA-O 3.2Å |
| 137 | R | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.7 | -179.1 | -169.1 | 177.3 | -176.3 | -170.9 | -7.9 | 111 | F121 G141 R143 F180 G183 H184 F204 | F121-R137 CarbonylContact O-C 3.52Å; F121-R137 WeakPolarHBondContact O-CA 3.18Å; R137-G141 PolarHBondContact NH2-O 3.27Å; R137-R143 PolarHBondContact NE-O 3.37Å; R137-F180 HydrophobicContact CB-CD1 3.68Å; R137-F180 HydrophobicContact CB-CE1 3.95Å; R137-F180 WeakPolarHBondContact CD-O 3.47Å; R137-F180 PolarHBondContact NH1-O 3.44Å; R137-G183 PolarHBondContact O-N 3.24Å; R137-G183 VanDerWaalsContact O-N 3.14Å; R137-H184 PolarHBondContact N-O 3.44Å; R137-F204 VanDerWaalsContact O-CE1 3.3Å; R137-F204 WeakPolarHBondContact O-CE1 3.18Å; R137-F204 WeakPolarHBondContact O-CZ 3.41Å |
| 138 | D | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -59.8 | 160.9 | -177.7 | 68.5 | 78.1 | 0 | 0 | 0 | 113.4 | F121 Y140 G141 V142 R143 P182 G183 | F121-D138 HydrophobicContact CD1-CB 4Å; F121-D138 HydrophobicContact CD2-CB 4.45Å; F121-D138 HydrophobicContact CE1-CB 4.03Å; F121-D138 HydrophobicContact CE2-CB 4.49Å; F121-D138 HydrophobicContact CG-CB 4.21Å; F121-D138 HydrophobicContact CZ-CB 4.3Å; F121-D138 PolarHBondContact N-OD2 3.32Å; F121-D138 PolarHBondContact O-N 2.96Å; D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 3.45Å; D138-Y140 PolarHBondContact OD1-N 3.38Å; D138-G141 PolarHBondContact O-N 2.9Å; D138-G141 VanDerWaalsContact O-N 3.08Å; D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.36Å; D138-V142 PolarHBondContact OD1-N 3.27Å; D138-V142 PolarHBondContact OD2-N 3.09Å; D138-R143 PolarHBondContact OD2-N 3.11Å; D138-P182 CarbonylContact O-C 3.57Å; D138-P182 WeakPolarHBondContact O-CA 3.48Å; D138-G183 PolarHBondContact O-N 3.34Å | ||
| 139 | T | 96.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -49.2 | -172.5 | -63.4 | 0 | 0 | 0 | 0 | 114.4 | P182 H205 Y207 H423 | T139-P182 WeakPolarHBondContact O-CB 3.41Å; T139-H205 WeakPolarHBondContact CG2-CD2 3.28Å; T139-H205 PolarHBondContact OG1-CD2 3.42Å; T139-Y207 HydrophobicContact CG2-CD1 3.63Å; T139-Y207 HydrophobicContact CG2-CE1 3.52Å; T139-H423 WeakPolarHBondContact CB-NE2 3.49Å; T139-H423 PolarHBondContact OG1-CD2 2.88Å; T139-H423 PolarHBondContact OG1-NE2 3.11Å |
| 140 | Y | 97.6 | Very high | 98 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.9 | -174.2 | -61.6 | -70.3 | 0 | 0 | 0 | 112.6 | D138 V142 Y207 L394 L421 T426 | D138-Y140 VanDerWaalsContact C-N 3.33Å; D138-Y140 PolarHBondContact O-N 3.45Å; D138-Y140 PolarHBondContact OD1-N 3.38Å; Y140-V142 VanDerWaalsContact C-N 3.31Å; Y140-Y207 HydrophobicContact CD1-CD1 4.02Å; Y140-Y207 AromaticContact CD1-CE1 3.76Å; Y140-Y207 HydrophobicContact CD1-CE1 3.76Å; Y140-Y207 AromaticContact CE1-CD1 3.3Å; Y140-Y207 HydrophobicContact CE1-CD1 3.3Å; Y140-Y207 AromaticContact CE1-CE1 3.55Å; Y140-Y207 HydrophobicContact CE1-CE1 3.55Å; Y140-Y207 HydrophobicContact CE1-CG 4.39Å; Y140-Y207 AromaticContact CZ-CD1 3.79Å; Y140-L394 HydrophobicContact CD1-CB 4.41Å; Y140-L394 HydrophobicContact CD1-CD2 4.43Å; Y140-L394 HydrophobicContact CE1-CB 4.14Å; Y140-L394 HydrophobicContact CE1-CD1 4.49Å; Y140-L394 HydrophobicContact CE1-CD2 4.13Å; Y140-L394 HydrophobicContact CE1-CG 4.5Å; Y140-L421 HydrophobicContact CD1-CD2 4.44Å; Y140-L421 HydrophobicContact CD2-CB 3.93Å; Y140-L421 HydrophobicContact CD2-CD2 4.32Å; Y140-L421 HydrophobicContact CE2-CB 4.42Å; Y140-L421 HydrophobicContact CG-CB 4.46Å; Y140-L421 HydrophobicContact CG-CD2 4.22Å; Y140-T426 HydrophobicContact CE2-CG2 4.03Å; Y140-T426 WeakPolarHBondContact OH-CB 3.34Å; Y140-T426 PolarHBondContact OH-OG1 3.07Å |
| 141 | G | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | trans | 70.6 | 29.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R137 D138 R143 V402 | R137-G141 PolarHBondContact NH2-O 3.27Å; D138-G141 PolarHBondContact O-N 2.9Å; D138-G141 VanDerWaalsContact O-N 3.08Å; D138-G141 WeakPolarHBondContact OD1-CA 3.32Å; D138-G141 PolarHBondContact OD1-N 3.36Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.97Å; G141-V402 WeakPolarHBondContact O-CG1 3.28Å | ||
| 142 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | trans | -57.6 | -40.5 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | V120 D138 Y140 V402 V418 L421 | V120-V142 HydrophobicContact CB-CB 3.88Å; V120-V142 HydrophobicContact CB-CG1 3.99Å; 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 4.38Å; D138-V142 PolarHBondContact OD1-N 3.27Å; D138-V142 PolarHBondContact OD2-N 3.09Å; Y140-V142 VanDerWaalsContact C-N 3.31Å; V142-V402 VanDerWaalsContact CA-CG1 3.47Å; V142-V402 HydrophobicContact CB-CG1 4.48Å; V142-V418 HydrophobicContact CG1-CG2 3.81Å; V142-V418 HydrophobicContact CG2-CG2 4.07Å; V142-L421 HydrophobicContact CG2-CD1 3.87Å | ||
| 143 | R | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -97.8 | 133.6 | 169.6 | -62.7 | -67 | -175.2 | -99 | 0.3 | 109.6 | M1 N75 V120 A122 R137 D138 G141 E415 L416 | M1-R143 PolarHBondContact SD-NH1 3.19Å; N75-R143 WeakPolarHBondContact O-CB 3.46Å; N75-R143 VanDerWaalsContact O-CG 3.3Å; N75-R143 WeakPolarHBondContact O-CG 3.26Å; V120-R143 HydrophobicContact CB-CG 4.07Å; V120-R143 HydrophobicContact CG2-CG 4.1Å; A122-R143 HydrophobicContact CB-CB 4.14Å; R137-R143 PolarHBondContact NE-O 3.37Å; D138-R143 PolarHBondContact OD2-N 3.11Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 2.97Å; R143-E415 IonicContact NH2-OE2 3.04Å; R143-L416 PolarHBondContact NH1-O 3.44Å; R143-L416 VanDerWaalsContact NH1-O 3.09Å; R143-L416 PolarHBondContact NH2-O 3.19Å |
| 144 | P | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | trans | -85.5 | 151.5 | -174 | 37.2 | -41.6 | 0 | 0 | 0 | 113.1 | A122 S159 D406 R407 | A122-P144 VanDerWaalsContact CB-O 3.3Å; A122-P144 WeakPolarHBondContact CB-O 3.43Å; P144-S159 CarbonylContact C-O 3.59Å; P144-S159 WeakPolarHBondContact CB-O 3.42Å; P144-S159 WeakPolarHBondContact CG-O 3.2Å; P144-D406 VanDerWaalsContact CD-CG 3.5Å; P144-D406 WeakPolarHBondContact CD-OD1 3.41Å; P144-D406 WeakPolarHBondContact CG-OD2 3.34Å; P144-R407 VanDerWaalsContact CB-CZ 3.43Å; P144-R407 VanDerWaalsContact CB-NH2 3.29Å; P144-R407 VanDerWaalsContact CG-NH1 3.3Å | ||
| 145 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -151.2 | 135.1 | 173.1 | -165.4 | 61.6 | 0 | 0 | 0 | 109.2 | I4 A122 L135 V157 C158 F180 | I4-L145 HydrophobicContact CD1-CD1 3.66Å; I4-L145 HydrophobicContact CG1-CD1 4.24Å; A122-L145 HydrophobicContact CB-CB 3.87Å; A122-L145 HydrophobicContact CB-CD1 4.2Å; A122-L145 HydrophobicContact CB-CD2 4.39Å; A122-L145 HydrophobicContact CB-CG 4.39Å; L135-L145 HydrophobicContact CB-CD2 4.44Å; L145-V157 HydrophobicContact CD1-CG1 3.37Å; L145-V157 HydrophobicContact CD2-CG1 4.25Å; L145-V157 HydrophobicContact CG-CG1 3.87Å; L145-C158 CarbonylContact C-O 3.5Å; L145-F180 HydrophobicContact CB-CB 3.95Å; L145-F180 HydrophobicContact CD2-CB 4.1Å; L145-F180 HydrophobicContact CD2-CD1 4.02Å; L145-F180 HydrophobicContact CD2-CG 3.96Å; L145-F180 HydrophobicContact CG-CB 4.02Å; L145-F180 HydrophobicContact CG-CG 4.42Å; L145-F180 WeakPolarHBondContact O-CB 3.38Å; L145-F180 PolarHBondContact O-N 3.35Å | ||
| 146 | F | 98.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 4% | 0.044 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152 | 173.6 | -71.3 | -100.6 | 0 | 0 | 0 | 108.9 | V157 C158 A161 L164 V177 E178 P179 | F146-V157 WeakPolarHBondContact O-CA 3.21Å; F146-V157 WeakPolarHBondContact O-CG1 3.37Å; F146-C158 PolarHBondContact N-O 3.42Å; F146-C158 PolarHBondContact O-N 3.37Å; F146-A161 HydrophobicContact CD1-CB 3.73Å; F146-A161 HydrophobicContact CD2-CB 4.33Å; F146-A161 HydrophobicContact CE1-CB 3.82Å; F146-A161 HydrophobicContact CE2-CB 4.42Å; F146-A161 HydrophobicContact CG-CB 3.99Å; F146-A161 HydrophobicContact CZ-CB 4.18Å; F146-L164 HydrophobicContact CB-CD1 3.88Å; F146-V177 HydrophobicContact CB-CG1 4.14Å; F146-V177 HydrophobicContact CD1-CG1 4.03Å; F146-V177 HydrophobicContact CG-CG1 4.48Å; F146-E178 CarbonylContact C-O 3.53Å; F146-E178 VanDerWaalsContact CA-O 3.3Å; F146-E178 WeakPolarHBondContact CA-O 3.32Å; F146-P179 HydrophobicContact CD1-CB 4.21Å; F146-P179 HydrophobicContact CD1-CG 4.16Å; F146-P179 HydrophobicContact CE1-CB 3.95Å; F146-P179 HydrophobicContact CE1-CG 3.66Å; F146-P179 HydrophobicContact CZ-CB 4.47Å; F146-P179 HydrophobicContact CZ-CG 4.41Å |
| 147 | K | 97.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 7% | 0.07 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.2 | 174.7 | 70 | 171.1 | -176.2 | 179.9 | 0 | 112.4 | L135 L155 G156 V157 V177 E178 F180 E186 | L135-K147 HydrophobicContact CD1-CD 4.29Å; K147-L155 HydrophobicContact CB-CD1 4.4Å; K147-G156 CarbonylContact C-O 3.51Å; K147-G156 VanDerWaalsContact CA-O 3.23Å; K147-G156 WeakPolarHBondContact CA-O 3.1Å; K147-V157 HydrophobicContact CB-CG2 4.35Å; K147-V177 WeakPolarHBondContact O-CA 3.45Å; K147-E178 WeakPolarHBondContact CE-OE1 3.43Å; K147-E178 HydrophobicContact CG-CG 3.96Å; K147-E178 PolarHBondContact N-O 3.18Å; K147-E178 IonicContact NZ-OE1 2.7Å; K147-E178 PolarHBondContact O-N 3.15Å; K147-F180 HydrophobicContact CD-CD2 4.22Å; K147-E186 IonicContact NZ-OE1 3.67Å; K147-E186 PolarHBondContact NZ-OE1 3.07Å; K147-E186 IonicContact NZ-OE2 2.88Å; K147-E186 PolarHBondContact NZ-OE2 2.81Å |
| 148 | V | 95.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.1 | 165.2 | 155.9 | 0 | 0 | 0 | 0 | 105.7 | T150 F154 L155 G156 L164 P175 V177 | V148-T150 HydrophobicContact CG1-CG2 4.42Å; V148-F154 HydrophobicContact CG1-CD1 4.28Å; V148-F154 HydrophobicContact CG1-CE1 4.2Å; V148-L155 CarbonylContact O-C 3.54Å; V148-L155 VanDerWaalsContact O-CA 3.28Å; V148-L155 WeakPolarHBondContact O-CA 2.83Å; V148-L155 WeakPolarHBondContact O-CD1 3.07Å; V148-G156 PolarHBondContact N-O 2.99Å; V148-G156 PolarHBondContact O-N 3.4Å; V148-L164 HydrophobicContact CG2-CB 4.19Å; V148-L164 HydrophobicContact CG2-CD1 4.27Å; V148-P175 HydrophobicContact CB-CB 4.23Å; V148-P175 HydrophobicContact CG1-CB 3.28Å; V148-P175 HydrophobicContact CG1-CG 4Å; V148-P175 HydrophobicContact CG2-CB 3.93Å; V148-P175 HydrophobicContact CG2-CG 4.27Å; V148-V177 HydrophobicContact CG2-CB 4.2Å; V148-V177 HydrophobicContact CG2-CG2 3.6Å |
| 149 | L | 95.7 | Very high | 97.1 | Very high | 60 Ų | 60 | 16.9 Ų | 16.9 | 31% | 0.314 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 120.6 | 170 | -179.8 | 63.4 | 0 | 0 | 0 | 108.8 | F154 L155 L188 V196 | L149-F154 WeakPolarHBondContact CA-O 3.13Å; L149-L155 HydrophobicContact CB-CD1 4.34Å; L149-L155 HydrophobicContact CD1-CB 4.16Å; L149-L155 HydrophobicContact CD1-CD1 4.31Å; L149-L188 HydrophobicContact CD2-CD2 4.44Å; L149-V196 HydrophobicContact CD1-CG2 3.84Å |
| 150 | T | 94.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 16.9 Ų | 16.9 | 11% | 0.11 | 9% | 0.091 | C | C | . | . | trans | -94.2 | 162.2 | 176.8 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | V148 D152 G153 F154 | V148-T150 HydrophobicContact CG1-CG2 4.42Å; T150-D152 WeakPolarHBondContact CB-OD1 3.23Å; T150-D152 PolarHBondContact O-N 3.37Å; T150-D152 PolarHBondContact OG1-OD1 3.35Å; T150-G153 WeakPolarHBondContact O-CA 3.34Å; T150-G153 PolarHBondContact O-N 2.96Å; T150-F154 HydrophobicContact CG2-CB 4.34Å; T150-F154 HydrophobicContact CG2-CD1 4.03Å; T150-F154 PolarHBondContact N-O 3.38Å; T150-F154 WeakPolarHBondContact OG1-CB 3.49Å; T150-F154 PolarHBondContact OG1-N 3.22Å; T150-F154 VanDerWaalsContact OG1-N 3.07Å | ||
| 151 | D | 92.6 | Very high | 97.2 | Very high | 181 Ų | 181 | 16.8 Ų | 16.8 | 97% | 0.968 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.3 | -179.7 | -63.1 | -22.3 | 0 | 0 | 0 | 113.2 | G153 | D151-G153 PolarHBondContact O-N 3Š|
| 152 | D | 93.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 16.8 Ų | 16.8 | 30% | 0.299 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.8 | 175.5 | 71.4 | -65.1 | 0 | 0 | 0 | 113.5 | T150 H169 T171 K195 | T150-D152 WeakPolarHBondContact CB-OD1 3.23Å; T150-D152 PolarHBondContact O-N 3.37Å; T150-D152 PolarHBondContact OG1-OD1 3.35Å; D152-H169 VanDerWaalsContact CG-NE2 3.29Å; D152-H169 IonicContact OD1-CD2 2.79Å; D152-H169 IonicContact OD1-NE2 2.82Å; D152-H169 PolarHBondContact OD1-NE2 2.98Å; D152-H169 IonicContact OD2-CD2 3.97Å; D152-H169 IonicContact OD2-CE1 3.7Å; D152-H169 PolarHBondContact OD2-CE1 3.12Å; D152-H169 IonicContact OD2-NE2 2.78Å; D152-H169 PolarHBondContact OD2-NE2 2.77Å; D152-T171 HydrophobicContact CB-CG2 4.4Å; D152-T171 PolarHBondContact OD1-OG1 3.33Å; D152-K195 WeakPolarHBondContact O-CD 3.32Å; D152-K195 IonicContact OD2-NZ 3.43Å; D152-K195 PolarHBondContact OD2-NZ 2.66Å |
| 153 | G | 95.5 | Very high | 97 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 6% | 0.062 | 9% | 0.09 | C | C | . | . | trans | 88 | 22.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | T150 D151 K195 V196 | T150-G153 WeakPolarHBondContact O-CA 3.34Å; T150-G153 PolarHBondContact O-N 2.96Å; D151-G153 PolarHBondContact O-N 3Å; G153-K195 CarbonylContact O-C 3.56Å; G153-K195 WeakPolarHBondContact O-CA 3.25Å; G153-K195 WeakPolarHBondContact O-CB 3.3Å; G153-V196 WeakPolarHBondContact CA-O 3.47Å; G153-V196 PolarHBondContact O-N 2.95Å | ||
| 154 | F | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -75.9 | 124 | 165.8 | 167.7 | -107.4 | 0 | 0 | 0 | 109.2 | L7 V148 L149 T150 L167 H169 | L7-F154 HydrophobicContact CB-CE2 4.31Å; L7-F154 HydrophobicContact CD1-CE2 4.28Å; L7-F154 HydrophobicContact CD1-CZ 4.4Å; L7-F154 HydrophobicContact CD2-CE2 4.01Å; L7-F154 HydrophobicContact CD2-CZ 3.76Å; L7-F154 HydrophobicContact CG-CE2 4.44Å; V148-F154 HydrophobicContact CG1-CD1 4.28Å; V148-F154 HydrophobicContact CG1-CE1 4.2Å; L149-F154 WeakPolarHBondContact CA-O 3.13Å; T150-F154 HydrophobicContact CG2-CB 4.34Å; T150-F154 HydrophobicContact CG2-CD1 4.03Å; T150-F154 PolarHBondContact N-O 3.38Å; T150-F154 WeakPolarHBondContact OG1-CB 3.49Å; T150-F154 PolarHBondContact OG1-N 3.22Å; T150-F154 VanDerWaalsContact OG1-N 3.07Å; F154-L167 HydrophobicContact CZ-CD1 4.28Å; F154-H169 WeakPolarHBondContact CB-NE2 3.48Å; F154-H169 HydrophobicContact CD1-CB 4.02Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 HydrophobicContact CE1-CB 4.18Å; F154-H169 AromaticContact CG-CG 3.88Å; F154-H169 AromaticContact CG-ND1 3.86Å | ||
| 155 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125 | 177.8 | 174.2 | 76.8 | 0 | 0 | 0 | 109.7 | L7 F8 V133 L135 K147 V148 L149 V157 L188 V196 | L7-L155 CarbonylContact C-O 3.41Å; L7-L155 VanDerWaalsContact CA-O 3.32Å; L7-L155 WeakPolarHBondContact CA-O 3.47Å; F8-L155 HydrophobicContact CB-CB 4.26Å; F8-L155 HydrophobicContact CD2-CB 4.38Å; F8-L155 HydrophobicContact CD2-CD2 3.67Å; F8-L155 HydrophobicContact CD2-CG 4.21Å; F8-L155 HydrophobicContact CE2-CD2 4.15Å; F8-L155 HydrophobicContact CG-CD2 4.4Å; F8-L155 PolarHBondContact N-O 2.8Å; F8-L155 PolarHBondContact O-N 3.01Å; V133-L155 HydrophobicContact CG1-CD2 4.27Å; L135-L155 HydrophobicContact CD1-CD1 4.47Å; K147-L155 HydrophobicContact CB-CD1 4.4Å; V148-L155 CarbonylContact O-C 3.54Å; V148-L155 VanDerWaalsContact O-CA 3.28Å; V148-L155 WeakPolarHBondContact O-CA 2.83Å; V148-L155 WeakPolarHBondContact O-CD1 3.07Å; L149-L155 HydrophobicContact CB-CD1 4.34Å; L149-L155 HydrophobicContact CD1-CB 4.16Å; L149-L155 HydrophobicContact CD1-CD1 4.31Å; L155-V157 HydrophobicContact CD1-CG2 3.84Å; L155-V157 HydrophobicContact CD2-CG2 3.94Å; L155-V157 HydrophobicContact CG-CG2 3.75Å; L155-L188 HydrophobicContact CD1-CD2 4.49Å; L155-L188 HydrophobicContact CD2-CD2 4.23Å; L155-V196 HydrophobicContact CB-CG2 3.47Å; L155-V196 VanDerWaalsContact CB-CG2 3.47Å; L155-V196 HydrophobicContact CD2-CG2 4.06Å; L155-V196 HydrophobicContact CG-CG2 4.29Å |
| 156 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A6 K147 V148 | A6-G156 WeakPolarHBondContact O-CA 3.36Å; K147-G156 CarbonylContact C-O 3.51Å; K147-G156 VanDerWaalsContact CA-O 3.23Å; K147-G156 WeakPolarHBondContact CA-O 3.1Å; V148-G156 PolarHBondContact N-O 2.99Å; V148-G156 PolarHBondContact O-N 3.4Å |
| 157 | V | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.9 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | W5 A6 I124 L135 L145 F146 K147 L155 | W5-V157 CarbonylContact C-O 3.57Å; W5-V157 VanDerWaalsContact CA-O 3.28Å; W5-V157 WeakPolarHBondContact CA-O 3.49Å; A6-V157 PolarHBondContact N-O 3Å; A6-V157 PolarHBondContact O-N 2.87Å; I124-V157 HydrophobicContact CD1-CB 3.77Å; I124-V157 HydrophobicContact CD1-CG1 3.66Å; I124-V157 HydrophobicContact CG1-CB 4.27Å; I124-V157 HydrophobicContact CG1-CG1 3.84Å; L135-V157 HydrophobicContact CD1-CG2 3.97Å; L135-V157 HydrophobicContact CD2-CG1 4.23Å; L135-V157 HydrophobicContact CD2-CG2 3.86Å; L145-V157 HydrophobicContact CD1-CG1 3.37Å; L145-V157 HydrophobicContact CD2-CG1 4.25Å; L145-V157 HydrophobicContact CG-CG1 3.87Å; F146-V157 WeakPolarHBondContact O-CA 3.21Å; F146-V157 WeakPolarHBondContact O-CG1 3.37Å; K147-V157 HydrophobicContact CB-CG2 4.35Å; L155-V157 HydrophobicContact CD1-CG2 3.84Å; L155-V157 HydrophobicContact CD2-CG2 3.94Å; L155-V157 HydrophobicContact CG-CG2 3.75Å |
| 158 | C | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 152.7 | -177.1 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | I4 L145 F146 E160 L164 | I4-C158 CarbonylContact O-C 3.59Å; I4-C158 VanDerWaalsContact O-CA 3.28Å; I4-C158 WeakPolarHBondContact O-CA 2.96Å; L145-C158 CarbonylContact C-O 3.5Å; F146-C158 PolarHBondContact N-O 3.42Å; F146-C158 PolarHBondContact O-N 3.37Å; C158-E160 VanDerWaalsContact C-N 3.28Å; C158-E160 WeakPolarHBondContact CB-O 3.29Å; C158-E160 PolarHBondContact O-N 2.91Å; C158-E160 PolarHBondContact SG-O 2.66Å; C158-L164 HydrophobicContact CB-CD1 3.89Å; C158-L164 HydrophobicContact CB-CD2 3.65Å; C158-L164 HydrophobicContact CB-CG 3.53Å |
| 159 | S | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -60.3 | -36.6 | 170.3 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | I4 P144 | I4-S159 VanDerWaalsContact CG1-OG 3.3Å; I4-S159 WeakPolarHBondContact CG1-OG 3.47Å; I4-S159 PolarHBondContact N-OG 3.48Å; I4-S159 PolarHBondContact O-N 2.97Å; P144-S159 CarbonylContact C-O 3.59Å; P144-S159 WeakPolarHBondContact CB-O 3.42Å; P144-S159 WeakPolarHBondContact CG-O 3.2Å |
| 160 | E | 98.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -130.3 | 141.2 | -176.3 | -62.9 | 180 | 178.7 | 0 | 0 | 109.7 | I24 H26 R27 C158 K162 G163 E332 | I24-E160 HydrophobicContact CG2-CB 3.89Å; I24-E160 HydrophobicContact CG2-CG 4.37Å; H26-E160 IonicContact CD2-OE1 3.32Å; H26-E160 IonicContact CE1-OE2 3.55Å; H26-E160 PolarHBondContact CE1-OE2 3.34Å; H26-E160 VanDerWaalsContact NE2-CD 3.34Å; H26-E160 IonicContact NE2-OE1 3.77Å; H26-E160 PolarHBondContact NE2-OE1 3.26Å; H26-E160 IonicContact NE2-OE2 3.34Å; H26-E160 PolarHBondContact NE2-OE2 2.71Å; R27-E160 VanDerWaalsContact CD-OE1 3.26Å; R27-E160 WeakPolarHBondContact CD-OE1 3.46Å; R27-E160 IonicContact CZ-OE1 2.68Å; R27-E160 IonicContact NE-OE1 2.77Å; R27-E160 IonicContact NH1-OE1 3.94Å; R27-E160 PolarHBondContact NH1-OE1 3.32Å; C158-E160 VanDerWaalsContact C-N 3.28Å; C158-E160 WeakPolarHBondContact CB-O 3.29Å; C158-E160 PolarHBondContact O-N 2.91Å; C158-E160 PolarHBondContact SG-O 2.66Å; E160-K162 HydrophobicContact CB-CG 4Å; E160-K162 PolarHBondContact O-N 2.84Å; E160-K162 WeakPolarHBondContact OE2-CD 3.26Å; E160-K162 WeakPolarHBondContact OE2-CE 3.46Å; E160-K162 IonicContact OE2-NZ 2.95Å; E160-K162 PolarHBondContact OE2-NZ 2.68Å; E160-G163 PolarHBondContact O-N 3.44Å; E160-E332 WeakPolarHBondContact CB-OE1 3.49Å |
| 161 | A | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -59.2 | -34 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F146 G163 L164 T165 V177 E332 W532 | F146-A161 HydrophobicContact CD1-CB 3.73Å; F146-A161 HydrophobicContact CD2-CB 4.33Å; F146-A161 HydrophobicContact CE1-CB 3.82Å; F146-A161 HydrophobicContact CE2-CB 4.42Å; F146-A161 HydrophobicContact CG-CB 3.99Å; F146-A161 HydrophobicContact CZ-CB 4.18Å; A161-G163 PolarHBondContact O-N 3Å; A161-L164 WeakPolarHBondContact O-CA 3.11Å; A161-L164 WeakPolarHBondContact O-CB 2.77Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-T165 PolarHBondContact O-N 3.49Å; A161-V177 HydrophobicContact CB-CG1 3.91Å; A161-E332 VanDerWaalsContact N-CD 3.32Å; A161-E332 PolarHBondContact N-OE1 3.15Å; A161-E332 PolarHBondContact N-OE2 3.48Å; A161-W532 HydrophobicContact CB-CD2 4.23Å; A161-W532 HydrophobicContact CB-CE3 4.03Å; A161-W532 HydrophobicContact CB-CH2 3.36Å; A161-W532 HydrophobicContact CB-CZ2 3.56Å; A161-W532 HydrophobicContact CB-CZ3 3.61Å |
| 162 | K | 96.3 | Very high | 91 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -55.1 | -26.3 | 177 | 69.6 | -179.9 | 66.3 | 59.4 | 0 | 113.7 | K23 I24 E160 L164 T165 F329 S330 E332 Y526 | K23-K162 WeakPolarHBondContact CD-O 3.36Å; K23-K162 PolarHBondContact NZ-O 3.14Å; I24-K162 HydrophobicContact CG2-CG 4.32Å; E160-K162 HydrophobicContact CB-CG 4Å; E160-K162 PolarHBondContact O-N 2.84Å; E160-K162 WeakPolarHBondContact OE2-CD 3.26Å; E160-K162 WeakPolarHBondContact OE2-CE 3.46Å; E160-K162 IonicContact OE2-NZ 2.95Å; E160-K162 PolarHBondContact OE2-NZ 2.68Å; K162-L164 PolarHBondContact O-N 3.31Å; K162-T165 PolarHBondContact O-OG1 3.44Å; K162-F329 HydrophobicContact CD-CE1 4.03Å; K162-F329 HydrophobicContact CD-CZ 3.83Å; K162-F329 WeakPolarHBondContact CE-O 3.41Å; K162-F329 PolarHBondContact NZ-O 2.91Å; K162-S330 PolarHBondContact NZ-O 3.04Å; K162-E332 VanDerWaalsContact CB-OE1 3.23Å; K162-E332 WeakPolarHBondContact CB-OE1 3.37Å; K162-E332 WeakPolarHBondContact CE-OE1 3.32Å; K162-E332 VanDerWaalsContact CG-OE1 3.27Å; K162-E332 WeakPolarHBondContact CG-OE1 3.48Å; K162-E332 PolarHBondContact N-OE1 3.34Å; K162-E332 VanDerWaalsContact NZ-CD 3.27Å; K162-E332 IonicContact NZ-OE1 3.32Å; K162-E332 PolarHBondContact NZ-OE1 2.98Å; K162-Y526 HydrophobicContact CB-CE1 3.89Å; K162-Y526 WeakPolarHBondContact CE-OH 3.07Å |
| 163 | G | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -77.5 | -4.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W5 S20 E160 A161 | W5-G163 PolarHBondContact NE1-O 3.39Å; W5-G163 VanDerWaalsContact NE1-O 3.1Å; S20-G163 PolarHBondContact OG-O 2.84Å; E160-G163 PolarHBondContact O-N 3.44Å; A161-G163 PolarHBondContact O-N 3Å |
| 164 | L | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -21.4 | -179.7 | -57.8 | 176.8 | 0 | 0 | 0 | 113.6 | F146 V148 C158 A161 K162 D166 L167 V177 | F146-L164 HydrophobicContact CB-CD1 3.88Å; V148-L164 HydrophobicContact CG2-CB 4.19Å; V148-L164 HydrophobicContact CG2-CD1 4.27Å; C158-L164 HydrophobicContact CB-CD1 3.89Å; C158-L164 HydrophobicContact CB-CD2 3.65Å; C158-L164 HydrophobicContact CB-CG 3.53Å; A161-L164 WeakPolarHBondContact O-CA 3.11Å; A161-L164 WeakPolarHBondContact O-CB 2.77Å; A161-L164 PolarHBondContact O-N 3.47Å; K162-L164 PolarHBondContact O-N 3.31Å; L164-D166 VanDerWaalsContact C-N 3.25Å; L164-D166 PolarHBondContact O-N 3.01Å; L164-L167 HydrophobicContact CB-CD1 4.22Å; L164-L167 HydrophobicContact CD2-CD1 3.56Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 WeakPolarHBondContact O-CG 3.37Å; L164-L167 PolarHBondContact O-N 2.97Å; L164-V177 HydrophobicContact CB-CG1 4.33Å; L164-V177 HydrophobicContact CB-CG2 3.87Å; L164-V177 HydrophobicContact CD1-CG1 4Å |
| 165 | T | 90.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.5 | -171.7 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | A161 K162 Y526 W532 | A161-T165 PolarHBondContact O-N 3.49Å; K162-T165 PolarHBondContact O-OG1 3.44Å; T165-Y526 HydrophobicContact CG2-CD1 4.1Å; T165-Y526 HydrophobicContact CG2-CE1 4.44Å; T165-W532 HydrophobicContact CG2-CH2 3.77Å; T165-W532 HydrophobicContact CG2-CZ2 4.21Å |
| 166 | D | 87.2 | Confident | 86.9 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7.7 | -175.2 | -62.2 | 23.2 | 0 | 0 | 0 | 111.9 | K23 L164 K168 | K23-D166 WeakPolarHBondContact CE-OD2 3.46Å; K23-D166 IonicContact NZ-OD1 2.89Å; K23-D166 PolarHBondContact NZ-OD1 3.01Å; K23-D166 IonicContact NZ-OD2 3.8Å; K23-D166 PolarHBondContact NZ-OD2 2.98Å; L164-D166 VanDerWaalsContact C-N 3.25Å; L164-D166 PolarHBondContact O-N 3.01Å; D166-K168 PolarHBondContact O-N 3.44Å |
| 167 | L | 88.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -65.7 | 124 | 175.9 | -67.5 | 178.6 | 0 | 0 | 0 | 109.3 | W5 L7 Q17 F154 L164 | W5-L167 HydrophobicContact CZ2-CD2 4.03Å; L7-L167 HydrophobicContact CD1-CD2 4.39Å; L7-L167 HydrophobicContact CD2-CD1 3.74Å; L7-L167 HydrophobicContact CD2-CD2 4.27Å; Q17-L167 HydrophobicContact CB-CD2 4.41Å; Q17-L167 HydrophobicContact CG-CD2 4.36Å; F154-L167 HydrophobicContact CZ-CD1 4.28Å; L164-L167 HydrophobicContact CB-CD1 4.22Å; L164-L167 HydrophobicContact CD2-CD1 3.56Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 WeakPolarHBondContact O-CG 3.37Å; L164-L167 PolarHBondContact O-N 2.97Å | ||
| 168 | K | 82.1 | Confident | 86.7 | Confident | 146 Ų | 146 | 45.3 Ų | 45.3 | 64% | 0.635 | 24% | 0.244 | S | C | * | . | trans | -94.5 | 134.9 | 171.3 | -61.5 | -175.5 | -178.2 | -178.2 | 0 | 108.8 | Q17 D166 | Q17-K168 PolarHBondContact NE2-O 3.22Å; D166-K168 PolarHBondContact O-N 3.44Å | ||
| 169 | H | 83.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -138.1 | 143.1 | 173.7 | -170.5 | 45.9 | 0 | 0 | 0 | 110.3 | D11 D152 F154 T171 S172 K195 | D11-H169 IonicContact OD2-CE1 3.64Å; D11-H169 PolarHBondContact OD2-CE1 3.03Å; D11-H169 IonicContact OD2-ND1 3.9Å; D11-H169 IonicContact OD2-NE2 3.96Å; D152-H169 VanDerWaalsContact CG-NE2 3.29Å; D152-H169 IonicContact OD1-CD2 2.79Å; D152-H169 IonicContact OD1-NE2 2.82Å; D152-H169 PolarHBondContact OD1-NE2 2.98Å; D152-H169 IonicContact OD2-CD2 3.97Å; D152-H169 IonicContact OD2-CE1 3.7Å; D152-H169 PolarHBondContact OD2-CE1 3.12Å; D152-H169 IonicContact OD2-NE2 2.78Å; D152-H169 PolarHBondContact OD2-NE2 2.77Å; F154-H169 WeakPolarHBondContact CB-NE2 3.48Å; F154-H169 HydrophobicContact CD1-CB 4.02Å; F154-H169 AromaticContact CD1-CG 3.74Å; F154-H169 HydrophobicContact CE1-CB 4.18Å; F154-H169 AromaticContact CG-CG 3.88Å; F154-H169 AromaticContact CG-ND1 3.86Å; H169-T171 PolarHBondContact CD2-OG1 3.15Å; H169-T171 PolarHBondContact NE2-OG1 3.25Å; H169-T171 PolarHBondContact O-N 3.17Å; H169-T171 VanDerWaalsContact O-N 3.13Å; H169-S172 PolarHBondContact N-O 2.9Å; H169-S172 CarbonylContact O-C 3.49Å; H169-S172 PolarHBondContact O-N 3.11Å; H169-K195 PolarHBondContact CE1-NZ 2.64Å |
| 170 | S | 79.3 | Confident | 86.6 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.7 | -170.6 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | D11 | D11-S170 PolarHBondContact OD2-OG 2.98Š|
| 171 | T | 72.2 | Confident | 86.6 | Confident | 88 Ų | 88 | 50 Ų | 50 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9 | -179.2 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | D152 H169 | D152-T171 HydrophobicContact CB-CG2 4.4Å; D152-T171 PolarHBondContact OD1-OG1 3.33Å; H169-T171 PolarHBondContact CD2-OG1 3.15Å; H169-T171 PolarHBondContact NE2-OG1 3.25Å; H169-T171 PolarHBondContact O-N 3.17Å; H169-T171 VanDerWaalsContact O-N 3.13Å |
| 172 | S | 68.9 | Low | 86.6 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -149.8 | 116.1 | -178.3 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | H169 C174 | H169-S172 PolarHBondContact N-O 2.9Å; H169-S172 CarbonylContact O-C 3.49Å; H169-S172 PolarHBondContact O-N 3.11Å; S172-C174 VanDerWaalsContact C-N 3.32Å; S172-C174 PolarHBondContact OG-O 2.85Å |
| 173 | L | 65.4 | Low | 86.6 | Confident | 170 Ų | 170 | 50.4 Ų | 50.4 | 89% | 0.89 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -75.5 | -20.9 | 176.6 | -71.4 | 165.3 | 0 | 0 | 0 | 113 | ||
| 174 | C | 68.1 | Low | 86.7 | Confident | 81 Ų | 81 | 52 Ų | 52 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -144.7 | 82.8 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | S172 | S172-C174 VanDerWaalsContact C-N 3.32Å; S172-C174 PolarHBondContact OG-O 2.85Å |
| 175 | P | 74.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -61.2 | 140.3 | 179.7 | 18.5 | -27 | 0 | 0 | 0 | 111.4 | V148 V177 | V148-P175 HydrophobicContact CB-CB 4.23Å; V148-P175 HydrophobicContact CG1-CB 3.28Å; V148-P175 HydrophobicContact CG1-CG 4Å; V148-P175 HydrophobicContact CG2-CB 3.93Å; V148-P175 HydrophobicContact CG2-CG 4.27Å; P175-V177 PolarHBondContact O-N 3.39Å; P175-V177 VanDerWaalsContact O-N 3.09Å | ||
| 176 | K | 88.1 | Confident | 87.3 | Confident | 143 Ų | 143 | 51.1 Ų | 51.1 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | trans | -67 | 109.9 | 176.6 | -174.2 | -172.2 | 176.3 | -155.1 | 0 | 109.5 | E178 | K176-E178 IonicContact NZ-OE2 3.41Š| ||
| 177 | V | 95 | Very high | 87.8 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.4 | 172.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | F146 K147 V148 A161 L164 P175 W532 | F146-V177 HydrophobicContact CB-CG1 4.14Å; F146-V177 HydrophobicContact CD1-CG1 4.03Å; F146-V177 HydrophobicContact CG-CG1 4.48Å; K147-V177 WeakPolarHBondContact O-CA 3.45Å; V148-V177 HydrophobicContact CG2-CB 4.2Å; V148-V177 HydrophobicContact CG2-CG2 3.6Å; A161-V177 HydrophobicContact CB-CG1 3.91Å; L164-V177 HydrophobicContact CB-CG1 4.33Å; L164-V177 HydrophobicContact CB-CG2 3.87Å; L164-V177 HydrophobicContact CD1-CG1 4Å; P175-V177 PolarHBondContact O-N 3.39Å; P175-V177 VanDerWaalsContact O-N 3.09Å; V177-W532 HydrophobicContact CB-CZ2 3.81Å; V177-W532 HydrophobicContact CG1-CZ2 3.94Å; V177-W532 HydrophobicContact CG2-CZ2 4.32Å; V177-W532 PolarHBondContact O-NE1 3.44Å |
| 178 | E | 95.6 | Very high | 88.3 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.9 | 175.7 | 61.4 | -172.6 | -169.5 | 0 | 0 | 112 | F146 K147 K176 F180 | F146-E178 CarbonylContact C-O 3.53Å; F146-E178 VanDerWaalsContact CA-O 3.3Å; F146-E178 WeakPolarHBondContact CA-O 3.32Å; K147-E178 WeakPolarHBondContact CE-OE1 3.43Å; K147-E178 HydrophobicContact CG-CG 3.96Å; K147-E178 PolarHBondContact N-O 3.18Å; K147-E178 IonicContact NZ-OE1 2.7Å; K147-E178 PolarHBondContact O-N 3.15Å; K176-E178 IonicContact NZ-OE2 3.41Å; E178-F180 PolarHBondContact O-N 3.25Å |
| 179 | P | 97.7 | Very high | 89.1 | Confident | 29 Ų | 29 | 42 Ų | 42 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133.8 | 169.9 | -15.6 | 26.4 | 0 | 0 | 0 | 110.6 | F146 Y398 | F146-P179 HydrophobicContact CD1-CB 4.21Å; F146-P179 HydrophobicContact CD1-CG 4.16Å; F146-P179 HydrophobicContact CE1-CB 3.95Å; F146-P179 HydrophobicContact CE1-CG 3.66Å; F146-P179 HydrophobicContact CZ-CB 4.47Å; F146-P179 HydrophobicContact CZ-CG 4.41Å; P179-Y398 HydrophobicContact CB-CE2 4.07Å |
| 180 | F | 98.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 131.4 | 169.9 | -173.9 | -86 | 0 | 0 | 0 | 109.7 | L135 R137 L145 K147 E178 H184 E186 L201 | L135-F180 HydrophobicContact CB-CD2 4.17Å; L135-F180 HydrophobicContact CB-CE2 3.55Å; L135-F180 HydrophobicContact CB-CZ 3.77Å; L135-F180 HydrophobicContact CD1-CD2 4.06Å; L135-F180 HydrophobicContact CD1-CE2 3.95Å; L135-F180 HydrophobicContact CG-CE2 4.37Å; R137-F180 HydrophobicContact CB-CD1 3.68Å; R137-F180 HydrophobicContact CB-CE1 3.95Å; R137-F180 WeakPolarHBondContact CD-O 3.47Å; R137-F180 PolarHBondContact NH1-O 3.44Å; L145-F180 HydrophobicContact CB-CB 3.95Å; L145-F180 HydrophobicContact CD2-CB 4.1Å; L145-F180 HydrophobicContact CD2-CD1 4.02Å; L145-F180 HydrophobicContact CD2-CG 3.96Å; L145-F180 HydrophobicContact CG-CB 4.02Å; L145-F180 HydrophobicContact CG-CG 4.42Å; L145-F180 WeakPolarHBondContact O-CB 3.38Å; L145-F180 PolarHBondContact O-N 3.35Å; K147-F180 HydrophobicContact CD-CD2 4.22Å; E178-F180 PolarHBondContact O-N 3.25Å; F180-H184 HydrophobicContact CE1-CB 4.26Å; F180-H184 WeakPolarHBondContact CE1-O 3.39Å; F180-H184 HydrophobicContact CZ-CB 4.5Å; F180-E186 HydrophobicContact CE2-CB 3.67Å; F180-E186 WeakPolarHBondContact CE2-OE2 3.06Å; F180-E186 HydrophobicContact CZ-CB 3.94Å; F180-L201 HydrophobicContact CE2-CD1 4.1Å; F180-L201 HydrophobicContact CZ-CD1 4.03Å |
| 181 | L | 97.8 | Very high | 90.7 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -65.8 | 137 | -169 | -62.4 | 179.6 | 0 | 0 | 0 | 112.9 | H184 L201 | L181-H184 HydrophobicContact CB-CB 4.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.24Å; L181-L201 HydrophobicContact CD1-CD2 4.21Å |
| 182 | P | 98 | Very high | 91.9 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 146.1 | 169.5 | -26.7 | 36.7 | 0 | 0 | 0 | 113.5 | D138 T139 H184 Y398 | D138-P182 CarbonylContact O-C 3.57Å; D138-P182 WeakPolarHBondContact O-CA 3.48Å; T139-P182 WeakPolarHBondContact O-CB 3.41Å; P182-H184 PolarHBondContact O-CE1 2.77Å; P182-H184 PolarHBondContact O-N 2.93Å; P182-H184 PolarHBondContact O-ND1 3.49Å; P182-Y398 HydrophobicContact CG-CD1 3.48Å; P182-Y398 VanDerWaalsContact CG-CD1 3.48Å; P182-Y398 HydrophobicContact CG-CD2 4.12Å; P182-Y398 HydrophobicContact CG-CE1 4.05Å; P182-Y398 HydrophobicContact CG-CG 3.5Å |
| 183 | G | 97 | Very high | 93.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 22.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R137 D138 K203 F204 | R137-G183 PolarHBondContact O-N 3.24Å; R137-G183 VanDerWaalsContact O-N 3.14Å; D138-G183 PolarHBondContact O-N 3.34Å; G183-K203 WeakPolarHBondContact O-CA 3.47Å; G183-F204 WeakPolarHBondContact O-CD1 3.46Å; G183-F204 PolarHBondContact O-N 3.32Å |
| 184 | H | 97.9 | Very high | 94.7 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155 | 177.3 | -65.9 | 70.7 | 0 | 0 | 0 | 111.9 | G136 R137 F180 L181 P182 L201 V202 K203 | G136-H184 WeakPolarHBondContact CA-O 3.2Å; R137-H184 PolarHBondContact N-O 3.44Å; F180-H184 HydrophobicContact CE1-CB 4.26Å; F180-H184 WeakPolarHBondContact CE1-O 3.39Å; F180-H184 HydrophobicContact CZ-CB 4.5Å; L181-H184 HydrophobicContact CB-CB 4.35Å; L181-H184 WeakPolarHBondContact CB-ND1 3.24Å; P182-H184 PolarHBondContact O-CE1 2.77Å; P182-H184 PolarHBondContact O-N 2.93Å; P182-H184 PolarHBondContact O-ND1 3.49Å; H184-L201 HydrophobicContact CB-CD1 3.97Å; H184-V202 CarbonylContact C-O 3.51Å; H184-V202 WeakPolarHBondContact CA-O 3.47Å; H184-V202 WeakPolarHBondContact CB-O 3.47Å; H184-K203 PolarHBondContact CD2-N 3.36Å; H184-K203 WeakPolarHBondContact NE2-CB 3.47Å |
| 185 | Y | 98.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153 | 157.6 | 69.1 | -96.3 | 0 | 0 | 0 | 110 | I110 E111 A114 L135 V187 V202 F204 | I110-Y185 HydrophobicContact CG1-CD2 3.89Å; I110-Y185 HydrophobicContact CG1-CE2 4.46Å; I110-Y185 HydrophobicContact CG1-CG 4.06Å; I110-Y185 HydrophobicContact CG2-CD2 3.79Å; I110-Y185 HydrophobicContact CG2-CE2 3.53Å; E111-Y185 HydrophobicContact CB-CE1 4.22Å; E111-Y185 HydrophobicContact CG-CE1 4.33Å; A114-Y185 HydrophobicContact CB-CD1 3.9Å; L135-Y185 CarbonylContact O-C 3.6Å; L135-Y185 WeakPolarHBondContact O-CA 3.45Å; L135-Y185 VanDerWaalsContact O-CB 3.31Å; L135-Y185 WeakPolarHBondContact O-CB 3.3Å; Y185-V187 HydrophobicContact CD2-CG2 3.99Å; Y185-V187 HydrophobicContact CE2-CG2 3.81Å; Y185-V202 HydrophobicContact CD1-CB 4.31Å; Y185-V202 HydrophobicContact CD2-CB 4.37Å; Y185-V202 HydrophobicContact CE1-CB 3.74Å; Y185-V202 HydrophobicContact CE1-CG1 3.77Å; Y185-V202 HydrophobicContact CE2-CB 3.81Å; Y185-V202 HydrophobicContact CE2-CG2 3.91Å; Y185-V202 VanDerWaalsContact CZ-CB 3.47Å; Y185-V202 PolarHBondContact N-O 3.1Å; Y185-V202 PolarHBondContact O-N 3.24Å; Y185-F204 HydrophobicContact CD1-CB 3.93Å; Y185-F204 HydrophobicContact CD1-CD1 4.08Å; Y185-F204 HydrophobicContact CD1-CG 4.39Å; Y185-F204 HydrophobicContact CE1-CB 4.01Å |
| 186 | E | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.2 | 175.8 | -171.4 | 174.8 | -171.7 | 0 | 0 | 109.5 | F134 L135 K147 F180 L188 S198 E200 L201 | F134-E186 VanDerWaalsContact CA-O 3.27Å; F134-E186 WeakPolarHBondContact CA-O 3.4Å; L135-E186 HydrophobicContact CB-CB 4.3Å; L135-E186 PolarHBondContact N-O 3.4Å; L135-E186 VanDerWaalsContact N-O 3.07Å; L135-E186 PolarHBondContact O-N 3.43Å; K147-E186 IonicContact NZ-OE1 3.67Å; K147-E186 PolarHBondContact NZ-OE1 3.07Å; K147-E186 IonicContact NZ-OE2 2.88Å; K147-E186 PolarHBondContact NZ-OE2 2.81Å; F180-E186 HydrophobicContact CE2-CB 3.67Å; F180-E186 WeakPolarHBondContact CE2-OE2 3.06Å; F180-E186 HydrophobicContact CZ-CB 3.94Å; E186-L188 HydrophobicContact CB-CD1 4.28Å; E186-L188 HydrophobicContact CG-CD1 3.86Å; E186-L188 HydrophobicContact CG-CG 4.17Å; E186-S198 WeakPolarHBondContact OE1-CB 3.44Å; E186-S198 PolarHBondContact OE1-OG 3.07Å; E186-E200 CarbonylContact C-O 3.04Å; E186-E200 WeakPolarHBondContact CA-O 3.44Å; E186-E200 WeakPolarHBondContact CG-O 3.36Å; E186-L201 HydrophobicContact CB-CD1 3.85Å; E186-L201 HydrophobicContact CG-CD1 4.31Å |
| 187 | V | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.5 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | I110 K132 F134 Y185 V199 E200 | I110-V187 HydrophobicContact CG2-CG2 4.13Å; K132-V187 HydrophobicContact CD-CG1 4.04Å; F134-V187 HydrophobicContact CD1-CB 4.36Å; F134-V187 HydrophobicContact CD1-CG1 4.25Å; F134-V187 HydrophobicContact CD1-CG2 3.95Å; F134-V187 HydrophobicContact CE1-CB 4.31Å; F134-V187 HydrophobicContact CE1-CG1 3.78Å; F134-V187 HydrophobicContact CE1-CG2 3.93Å; Y185-V187 HydrophobicContact CD2-CG2 3.99Å; Y185-V187 HydrophobicContact CE2-CG2 3.81Å; V187-V199 HydrophobicContact CB-CB 4.45Å; V187-V199 HydrophobicContact CG1-CB 4.44Å; V187-V199 WeakPolarHBondContact O-CB 3.25Å; V187-V199 PolarHBondContact O-N 3.38Å; V187-E200 HydrophobicContact CB-CG 3.83Å; V187-E200 HydrophobicContact CG2-CG 3.76Å; V187-E200 PolarHBondContact N-O 3.27Å; V187-E200 PolarHBondContact O-N 2.86Å |
| 188 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.3 | 175.2 | -51.6 | 96.6 | 0 | 0 | 0 | 110.7 | K132 V133 L135 L149 L155 E186 V196 A197 | K132-L188 CarbonylContact C-O 3.52Å; K132-L188 VanDerWaalsContact CA-O 3.3Å; K132-L188 WeakPolarHBondContact CA-O 3.26Å; V133-L188 HydrophobicContact CB-CB 4.35Å; V133-L188 PolarHBondContact N-O 2.74Å; V133-L188 PolarHBondContact O-N 3Å; L135-L188 HydrophobicContact CD1-CD1 4.34Å; L135-L188 HydrophobicContact CG-CD1 4.07Å; L149-L188 HydrophobicContact CD2-CD2 4.44Å; L155-L188 HydrophobicContact CD1-CD2 4.49Å; L155-L188 HydrophobicContact CD2-CD2 4.23Å; E186-L188 HydrophobicContact CB-CD1 4.28Å; E186-L188 HydrophobicContact CG-CD1 3.86Å; E186-L188 HydrophobicContact CG-CG 4.17Å; L188-V196 HydrophobicContact CB-CB 4.13Å; L188-V196 HydrophobicContact CD2-CB 4.28Å; L188-V196 HydrophobicContact CD2-CG2 3.8Å; L188-A197 CarbonylContact C-O 3.55Å; L188-A197 VanDerWaalsContact CA-O 3.26Å; L188-A197 WeakPolarHBondContact CA-O 3.32Å |
| 189 | D | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.2 | 170.6 | -82.2 | -12.6 | 0 | 0 | 0 | 110.6 | K132 K191 V196 A197 V199 | K132-D189 WeakPolarHBondContact CE-OD1 3.43Å; K132-D189 IonicContact NZ-OD1 3.61Å; K132-D189 PolarHBondContact NZ-OD1 2.84Å; D189-K191 HydrophobicContact CB-CD 4.41Å; D189-K191 IonicContact OD2-NZ 3.55Å; D189-K191 PolarHBondContact OD2-NZ 3.22Å; D189-K191 VanDerWaalsContact OD2-NZ 3.11Å; D189-V196 CarbonylContact O-C 3.56Å; D189-V196 WeakPolarHBondContact O-CA 2.94Å; D189-A197 PolarHBondContact N-O 3.12Å; D189-A197 PolarHBondContact O-N 2.76Å; D189-V199 HydrophobicContact CB-CG2 4.38Å |
| 190 | L | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.6 | 167.8 | -176.6 | 67.1 | 0 | 0 | 0 | 110.1 | F8 F40 L126 R131 G194 V196 | F8-L190 HydrophobicContact CD1-CD1 4.44Å; F40-L190 HydrophobicContact CD1-CD1 4.48Å; F40-L190 HydrophobicContact CD1-CD2 4.1Å; F40-L190 HydrophobicContact CD1-CG 4.35Å; F40-L190 HydrophobicContact CD2-CD2 3.97Å; F40-L190 HydrophobicContact CE1-CD2 3.84Å; F40-L190 HydrophobicContact CE1-CG 3.99Å; F40-L190 HydrophobicContact CE2-CD2 3.69Å; F40-L190 HydrophobicContact CG-CD2 4.15Å; F40-L190 HydrophobicContact CZ-CD2 3.62Å; F40-L190 HydrophobicContact CZ-CG 4.15Å; L126-L190 HydrophobicContact CD1-CD2 3.74Å; R131-L190 HydrophobicContact CB-CB 4.13Å; R131-L190 WeakPolarHBondContact CB-O 3.49Å; R131-L190 PolarHBondContact O-N 3.06Å; L190-G194 WeakPolarHBondContact CD1-O 3.29Å; L190-V196 HydrophobicContact CD1-CG1 4.13Å |
| 191 | K | 98.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -81.7 | 157.6 | 177.3 | -53.8 | -53.9 | -179.9 | -172.4 | 0 | 110.4 | F40 D189 S193 G194 K195 | F40-K191 WeakPolarHBondContact CE1-O 3.47Å; D189-K191 HydrophobicContact CB-CD 4.41Å; D189-K191 IonicContact OD2-NZ 3.55Å; D189-K191 PolarHBondContact OD2-NZ 3.22Å; D189-K191 VanDerWaalsContact OD2-NZ 3.11Å; K191-S193 PolarHBondContact O-N 3.23Å; K191-G194 PolarHBondContact O-N 2.87Å; K191-K195 WeakPolarHBondContact CB-O 3.35Å; K191-K195 PolarHBondContact N-O 3.35Å |
| 192 | P | 96.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 36.6 Ų | 36.6 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.4 | 176.4 | -27 | 35.8 | 0 | 0 | 0 | 114.5 | G194 | P192-G194 VanDerWaalsContact C-N 3.26Å; P192-G194 PolarHBondContact O-N 3.11Å |
| 193 | S | 95.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 49% | 0.49 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.9 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | N42 K191 K195 | N42-S193 PolarHBondContact ND2-O 3.33Å; K191-S193 PolarHBondContact O-N 3.23Å; S193-K195 PolarHBondContact O-N 3.01Å; S193-K195 WeakPolarHBondContact OG-CG 3.26Å |
| 194 | G | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 84.5 | -12.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F8 G9 C43 L190 K191 P192 | F8-G194 CarbonylContact C-O 3.34Å; G9-G194 VanDerWaalsContact CA-C 3.48Å; G9-G194 WeakPolarHBondContact CA-O 3.49Å; G9-G194 PolarHBondContact N-O 3.46Å; C43-G194 PolarHBondContact SG-O 3.11Å; C43-G194 VanDerWaalsContact SG-O 3.34Å; L190-G194 WeakPolarHBondContact CD1-O 3.29Å; K191-G194 PolarHBondContact O-N 2.87Å; P192-G194 VanDerWaalsContact C-N 3.26Å; P192-G194 PolarHBondContact O-N 3.11Å |
| 195 | K | 97.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 42 Ų | 42 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | trans | -66.8 | 162.2 | 170.5 | -58.5 | -76.5 | 178.9 | 175.6 | 0 | 110.6 | G9 D11 D152 G153 H169 K191 S193 | G9-K195 WeakPolarHBondContact O-CD 3.24Å; G9-K195 WeakPolarHBondContact O-CE 3.49Å; G9-K195 PolarHBondContact O-NZ 2.92Å; D11-K195 WeakPolarHBondContact OD1-CE 3.49Å; D11-K195 IonicContact OD1-NZ 3.6Å; D11-K195 PolarHBondContact OD1-NZ 2.85Å; D11-K195 IonicContact OD2-NZ 2.82Å; D11-K195 PolarHBondContact OD2-NZ 3.43Å; D152-K195 WeakPolarHBondContact O-CD 3.32Å; D152-K195 IonicContact OD2-NZ 3.43Å; D152-K195 PolarHBondContact OD2-NZ 2.66Å; G153-K195 CarbonylContact O-C 3.56Å; G153-K195 WeakPolarHBondContact O-CA 3.25Å; G153-K195 WeakPolarHBondContact O-CB 3.3Å; H169-K195 PolarHBondContact CE1-NZ 2.64Å; K191-K195 WeakPolarHBondContact CB-O 3.35Å; K191-K195 PolarHBondContact N-O 3.35Å; S193-K195 PolarHBondContact O-N 3.01Å; S193-K195 WeakPolarHBondContact OG-CG 3.26Å | ||
| 196 | V | 98.4 | Very high | 96 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 158.8 | 179 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | F8 V133 L149 G153 L155 L188 D189 L190 | F8-V196 HydrophobicContact CB-CG1 3.83Å; F8-V196 HydrophobicContact CG-CG1 4.3Å; V133-V196 HydrophobicContact CG2-CG1 4.06Å; L149-V196 HydrophobicContact CD1-CG2 3.84Å; G153-V196 WeakPolarHBondContact CA-O 3.47Å; G153-V196 PolarHBondContact O-N 2.95Å; L155-V196 HydrophobicContact CB-CG2 3.47Å; L155-V196 VanDerWaalsContact CB-CG2 3.47Å; L155-V196 HydrophobicContact CD2-CG2 4.06Å; L155-V196 HydrophobicContact CG-CG2 4.29Å; L188-V196 HydrophobicContact CB-CB 4.13Å; L188-V196 HydrophobicContact CD2-CB 4.28Å; L188-V196 HydrophobicContact CD2-CG2 3.8Å; D189-V196 CarbonylContact O-C 3.56Å; D189-V196 WeakPolarHBondContact O-CA 2.94Å; L190-V196 HydrophobicContact CD1-CG1 4.13Å |
| 197 | A | 98.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L188 D189 V199 | L188-A197 CarbonylContact C-O 3.55Å; L188-A197 VanDerWaalsContact CA-O 3.26Å; L188-A197 WeakPolarHBondContact CA-O 3.32Å; D189-A197 PolarHBondContact N-O 3.12Å; D189-A197 PolarHBondContact O-N 2.76Å; A197-V199 PolarHBondContact O-N 2.72Å |
| 198 | S | 96.7 | Very high | 94 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134.4 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | E186 | E186-S198 WeakPolarHBondContact OE1-CB 3.44Å; E186-S198 PolarHBondContact OE1-OG 3.07Å |
| 199 | V | 97.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 54 Ų | 54 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -52.8 | 180 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | V187 D189 A197 | V187-V199 HydrophobicContact CB-CB 4.45Å; V187-V199 HydrophobicContact CG1-CB 4.44Å; V187-V199 WeakPolarHBondContact O-CB 3.25Å; V187-V199 PolarHBondContact O-N 3.38Å; D189-V199 HydrophobicContact CB-CG2 4.38Å; A197-V199 PolarHBondContact O-N 2.72Å |
| 200 | E | 97.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 149 | -178.3 | 59.9 | -175 | 161.9 | 0 | 0 | 111.4 | E186 V187 V202 | E186-E200 CarbonylContact C-O 3.04Å; E186-E200 WeakPolarHBondContact CA-O 3.44Å; E186-E200 WeakPolarHBondContact CG-O 3.36Å; V187-E200 HydrophobicContact CB-CG 3.83Å; V187-E200 HydrophobicContact CG2-CG 3.76Å; V187-E200 PolarHBondContact N-O 3.27Å; V187-E200 PolarHBondContact O-N 2.86Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.95Å |
| 201 | L | 97.8 | Very high | 92.3 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.7 | 170.4 | 177.4 | 68.8 | 0 | 0 | 0 | 107.2 | F180 L181 H184 E186 | F180-L201 HydrophobicContact CE2-CD1 4.1Å; F180-L201 HydrophobicContact CZ-CD1 4.03Å; L181-L201 HydrophobicContact CD1-CD2 4.21Å; H184-L201 HydrophobicContact CB-CD1 3.97Å; E186-L201 HydrophobicContact CB-CD1 3.85Å; E186-L201 HydrophobicContact CG-CD1 4.31Å |
| 202 | V | 98.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.1 | -168.6 | -178.1 | 0 | 0 | 0 | 0 | 110 | H184 Y185 E200 | H184-V202 CarbonylContact C-O 3.51Å; H184-V202 WeakPolarHBondContact CA-O 3.47Å; H184-V202 WeakPolarHBondContact CB-O 3.47Å; Y185-V202 HydrophobicContact CD1-CB 4.31Å; Y185-V202 HydrophobicContact CD2-CB 4.37Å; Y185-V202 HydrophobicContact CE1-CB 3.74Å; Y185-V202 HydrophobicContact CE1-CG1 3.77Å; Y185-V202 HydrophobicContact CE2-CB 3.81Å; Y185-V202 HydrophobicContact CE2-CG2 3.91Å; Y185-V202 VanDerWaalsContact CZ-CB 3.47Å; Y185-V202 PolarHBondContact N-O 3.1Å; Y185-V202 PolarHBondContact O-N 3.24Å; E200-V202 HydrophobicContact CB-CG2 4.17Å; E200-V202 HydrophobicContact CG-CG2 3.95Å |
| 203 | K | 96.1 | Very high | 91.5 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.4 | 169.5 | -169 | 179.2 | -179.4 | -170 | 0 | 109.1 | G183 H184 H205 | G183-K203 WeakPolarHBondContact O-CA 3.47Å; H184-K203 PolarHBondContact CD2-N 3.36Å; H184-K203 WeakPolarHBondContact NE2-CB 3.47Å; K203-H205 WeakPolarHBondContact CE-O 3.43Å |
| 204 | F | 92.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | trans | -99.3 | -10.4 | -173.4 | 69.3 | -98.1 | 0 | 0 | 0 | 114 | A114 C115 F121 R137 G183 Y185 | A114-F204 HydrophobicContact CB-CB 4.1Å; A114-F204 HydrophobicContact CB-CD1 3.82Å; A114-F204 HydrophobicContact CB-CD2 3.95Å; A114-F204 HydrophobicContact CB-CE1 4.2Å; A114-F204 HydrophobicContact CB-CE2 4.34Å; A114-F204 HydrophobicContact CB-CG 3.69Å; A114-F204 HydrophobicContact CB-CZ 4.46Å; A114-F204 WeakPolarHBondContact O-CE2 3.3Å; C115-F204 PolarHBondContact SG-O 3.42Å; C115-F204 VanDerWaalsContact SG-O 3.4Å; F121-F204 HydrophobicContact CE2-CZ 4.41Å; F121-F204 AromaticContact CZ-CZ 3.93Å; F121-F204 HydrophobicContact CZ-CZ 3.93Å; R137-F204 VanDerWaalsContact O-CE1 3.3Å; R137-F204 WeakPolarHBondContact O-CE1 3.18Å; R137-F204 WeakPolarHBondContact O-CZ 3.41Å; G183-F204 WeakPolarHBondContact O-CD1 3.46Å; G183-F204 PolarHBondContact O-N 3.32Å; Y185-F204 HydrophobicContact CD1-CB 3.93Å; Y185-F204 HydrophobicContact CD1-CD1 4.08Å; Y185-F204 HydrophobicContact CD1-CG 4.39Å; Y185-F204 HydrophobicContact CE1-CB 4.01Å | ||
| 205 | H | 82.9 | Confident | 90.6 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.111 | 31% | 0.309 | C | S | . | . | trans | -138.6 | 144.4 | -177.4 | -176.8 | 71.9 | 0 | 0 | 0 | 113.1 | T139 K203 | T139-H205 WeakPolarHBondContact CG2-CD2 3.28Å; T139-H205 PolarHBondContact OG1-CD2 3.42Å; K203-H205 WeakPolarHBondContact CE-O 3.43Å | ||
| 206 | S | 82.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | trans | -118.5 | 126.1 | 174.9 | 164.4 | 0 | 0 | 0 | 0 | 108.6 | K208 D209 | S206-K208 PolarHBondContact O-N 3.07Å; S206-D209 WeakPolarHBondContact CB-OD2 3.07Å; S206-D209 PolarHBondContact O-N 2.87Å; S206-D209 VanDerWaalsContact O-N 3.12Å; S206-D209 PolarHBondContact OG-OD2 3.41Å | ||
| 207 | Y | 78.6 | Confident | 89.2 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.9 | -173.8 | -48.3 | -75.6 | 0 | 0 | 0 | 114.6 | T139 Y140 K395 L430 | T139-Y207 HydrophobicContact CG2-CD1 3.63Å; T139-Y207 HydrophobicContact CG2-CE1 3.52Å; Y140-Y207 HydrophobicContact CD1-CD1 4.02Å; Y140-Y207 AromaticContact CD1-CE1 3.76Å; Y140-Y207 HydrophobicContact CD1-CE1 3.76Å; Y140-Y207 AromaticContact CE1-CD1 3.3Å; Y140-Y207 HydrophobicContact CE1-CD1 3.3Å; Y140-Y207 AromaticContact CE1-CE1 3.55Å; Y140-Y207 HydrophobicContact CE1-CE1 3.55Å; Y140-Y207 HydrophobicContact CE1-CG 4.39Å; Y140-Y207 AromaticContact CZ-CD1 3.79Å; Y207-K395 HydrophobicContact CD2-CG 4.33Å; Y207-K395 HydrophobicContact CE2-CD 4.29Å; Y207-K395 HydrophobicContact CE2-CG 3.47Å; Y207-K395 VanDerWaalsContact CE2-CG 3.47Å; Y207-L430 VanDerWaalsContact O-CD1 3.29Å; Y207-L430 WeakPolarHBondContact O-CD1 3.14Å |
| 208 | K | 77.3 | Confident | 88.3 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -22.1 | -178.7 | -65.8 | -173.5 | 179.1 | -173.7 | 0 | 112.9 | S206 E391 | S206-K208 PolarHBondContact O-N 3.07Å; K208-E391 WeakPolarHBondContact CE-OE1 3.48Å; K208-E391 WeakPolarHBondContact CE-OE2 3.31Å; K208-E391 IonicContact NZ-OE1 3Å; K208-E391 PolarHBondContact NZ-OE1 2.92Å; K208-E391 IonicContact NZ-OE2 3.62Å; K208-E391 PolarHBondContact NZ-OE2 2.75Å |
| 209 | D | 84.5 | Confident | 87.7 | Confident | 97 Ų | 97 | 60.8 Ų | 60.8 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -90.5 | 143.8 | -173.2 | -58.5 | -46 | 0 | 0 | 0 | 109.1 | S206 S427 | S206-D209 WeakPolarHBondContact CB-OD2 3.07Å; S206-D209 PolarHBondContact O-N 2.87Å; S206-D209 VanDerWaalsContact O-N 3.12Å; S206-D209 PolarHBondContact OG-OD2 3.41Å; D209-S427 WeakPolarHBondContact O-CB 3.31Å; D209-S427 PolarHBondContact O-OG 2.94Å |
| 210 | E | 85.6 | Confident | 86.7 | Confident | 125 Ų | 125 | 65.3 Ų | 65.3 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 127.3 | 170.1 | -168.1 | 174.2 | -147.6 | 0 | 0 | 108.1 | A214 R424 | E210-A214 HydrophobicContact CG-CB 3.58Å; E210-R424 IonicContact OE1-NE 3.79Å; E210-R424 IonicContact OE1-NH2 2.92Å |
| 211 | P | 88.2 | Confident | 86 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 144.9 | -176 | 28.5 | -37.5 | 0 | 0 | 0 | 110.7 | H213 A214 H423 R424 | P211-H213 VanDerWaalsContact CB-NE2 3.34Å; P211-H213 WeakPolarHBondContact CB-NE2 3.41Å; P211-H213 VanDerWaalsContact CG-CE1 3.49Å; P211-H213 WeakPolarHBondContact CG-CE1 3.29Å; P211-H213 PolarHBondContact O-N 3.12Å; P211-A214 HydrophobicContact CG-CB 4.24Å; P211-A214 WeakPolarHBondContact O-CB 3.35Å; P211-A214 PolarHBondContact O-N 3.38Å; P211-H423 HydrophobicContact CB-CB 4.33Å; P211-H423 HydrophobicContact CG-CB 3.85Å; P211-R424 HydrophobicContact CG-CG 4.03Å |
| 212 | L | 88.9 | Confident | 85.4 | Confident | 121 Ų | 121 | 67 Ų | 67 | 63% | 0.634 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.1 | -29.2 | -178.4 | -66.9 | -175 | 0 | 0 | 0 | 113.3 | C115 A214 | C115-L212 HydrophobicContact CB-CB 4.48Å; C115-L212 HydrophobicContact CB-CD1 3.87Å; C115-L212 HydrophobicContact CB-CG 4.48Å; L212-A214 PolarHBondContact O-N 2.73Å |
| 213 | H | 90.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 2% | 0.023 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -70.2 | -15 | 176.8 | 67.4 | 70.2 | 0 | 0 | 0 | 114.3 | M116 D118 P211 A215 Y216 H423 | M116-H213 VanDerWaalsContact O-CB 3.31Å; M116-H213 WeakPolarHBondContact O-CB 3.49Å; D118-H213 VanDerWaalsContact CB-CE1 3.47Å; D118-H213 WeakPolarHBondContact CB-CE1 3.49Å; D118-H213 WeakPolarHBondContact CB-ND1 3.33Å; D118-H213 IonicContact OD1-CE1 3.55Å; D118-H213 PolarHBondContact OD1-CE1 2.67Å; D118-H213 VanDerWaalsContact OD1-CE1 3.32Å; D118-H213 IonicContact OD1-NE2 2.69Å; P211-H213 VanDerWaalsContact CB-NE2 3.34Å; P211-H213 WeakPolarHBondContact CB-NE2 3.41Å; P211-H213 VanDerWaalsContact CG-CE1 3.49Å; P211-H213 WeakPolarHBondContact CG-CE1 3.29Å; P211-H213 PolarHBondContact O-N 3.12Å; H213-A215 PolarHBondContact O-N 3.03Å; H213-A215 VanDerWaalsContact O-N 3.15Å; H213-Y216 PolarHBondContact O-N 3.4Å; H213-H423 AromaticContact CE1-ND1 3.77Å; H213-H423 AromaticContact NE2-CG 3.68Å; H213-H423 AromaticContact NE2-ND1 3.11Å; H213-H423 PolarHBondContact NE2-ND1 3.06Å; H213-H423 VanDerWaalsContact NE2-ND1 3.11Å |
| 214 | A | 88.1 | Confident | 84.4 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -58.5 | -27.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E210 P211 L212 Y216 D217 R424 | E210-A214 HydrophobicContact CG-CB 3.58Å; P211-A214 HydrophobicContact CG-CB 4.24Å; P211-A214 WeakPolarHBondContact O-CB 3.35Å; P211-A214 PolarHBondContact O-N 3.38Å; L212-A214 PolarHBondContact O-N 2.73Å; A214-Y216 PolarHBondContact O-N 2.61Å; A214-D217 PolarHBondContact O-N 2.93Å; A214-R424 HydrophobicContact CB-CG 3.94Å |
| 215 | A | 85.6 | Confident | 84.2 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 69% | 0.686 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -60.8 | -14.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | H213 | H213-A215 PolarHBondContact O-N 3.03Å; H213-A215 VanDerWaalsContact O-N 3.15Å |
| 216 | Y | 83.3 | Confident | 84.7 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 26% | 0.263 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -121.3 | 10.6 | -177.9 | -50.2 | -80 | 0 | 0 | 0 | 113.1 | Q87 F88 M116 H213 A214 | Q87-Y216 HydrophobicContact CB-CD1 4.4Å; Q87-Y216 HydrophobicContact CG-CD1 3.6Å; Q87-Y216 HydrophobicContact CG-CE1 3.6Å; F88-Y216 HydrophobicContact CZ-CE1 4.22Å; M116-Y216 HydrophobicContact CE-CD2 3.38Å; M116-Y216 HydrophobicContact CE-CE2 3.12Å; M116-Y216 HydrophobicContact CE-CG 4.3Å; M116-Y216 HydrophobicContact SD-CD2 4.18Å; M116-Y216 HydrophobicContact SD-CE2 3.65Å; H213-Y216 PolarHBondContact O-N 3.4Å; A214-Y216 PolarHBondContact O-N 2.61Å |
| 217 | D | 82.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 17% | 0.171 | 42% | 0.415 | C | S | . | . | trans | -75.6 | 160.9 | 176.5 | -163.4 | -26.4 | 0 | 0 | 0 | 110.8 | A214 V219 N241 K245 R424 | A214-D217 PolarHBondContact O-N 2.93Å; D217-V219 PolarHBondContact OD1-N 3.32Å; D217-N241 PolarHBondContact OD1-ND2 3.01Å; D217-N241 PolarHBondContact OD2-ND2 2.8Å; D217-K245 IonicContact OD2-NZ 3.24Å; D217-K245 PolarHBondContact OD2-NZ 3.11Å; D217-R424 IonicContact OD1-NH1 3.57Å; D217-R424 WeakPolarHBondContact OD2-CD 3.45Å; D217-R424 IonicContact OD2-CZ 2.72Å; D217-R424 IonicContact OD2-NE 2.98Å; D217-R424 IonicContact OD2-NH1 3.59Å; D217-R424 PolarHBondContact OD2-NH1 3.25Å | ||
| 218 | T | 79.9 | Confident | 86.1 | Confident | 86 Ų | 86 | 77.8 Ų | 77.8 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -76.8 | -24.6 | 175.8 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | Q83 E220 N241 | Q83-T218 HydrophobicContact CG-CG2 4.31Å; T218-E220 PolarHBondContact O-N 3.06Å; T218-N241 PolarHBondContact OG1-OD1 3.22Å |
| 219 | V | 84.4 | Confident | 87 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -80.4 | 113.3 | 173 | 171.2 | 0 | 0 | 0 | 0 | 108.6 | D217 L222 I237 N241 R424 | D217-V219 PolarHBondContact OD1-N 3.32Å; V219-L222 HydrophobicContact CG1-CD2 3.95Å; V219-I237 HydrophobicContact CG1-CG2 3.63Å; V219-I237 HydrophobicContact CG2-CG2 4.14Å; V219-N241 HydrophobicContact CG2-CB 3.53Å; V219-R424 PolarHBondContact O-NH1 3.06Å; V219-R424 PolarHBondContact O-NH2 3.47Å |
| 220 | E | 77.2 | Confident | 87.6 | Confident | 173 Ų | 173 | 73.9 Ų | 73.9 | 81% | 0.808 | 41% | 0.412 | S | S | * | . | trans | -62.4 | -172.8 | 175.5 | -62.6 | -172.3 | 172.7 | 0 | 0 | 112.5 | T218 L222 | T218-E220 PolarHBondContact O-N 3.06Å; E220-L222 PolarHBondContact O-N 3.32Å; E220-L222 VanDerWaalsContact O-N 3.17Å | ||
| 221 | N | 80.7 | Confident | 88.2 | Confident | 166 Ų | 166 | 68 Ų | 68 | 89% | 0.888 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 120.7 | -178.7 | -66.6 | -32.3 | 0 | 0 | 0 | 111.6 | ||
| 222 | L | 86.8 | Confident | 88.6 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 144.3 | 172.9 | -63.7 | 172.4 | 0 | 0 | 0 | 109.8 | V219 E220 S224 N234 I237 L238 Y428 | V219-L222 HydrophobicContact CG1-CD2 3.95Å; E220-L222 PolarHBondContact O-N 3.32Å; E220-L222 VanDerWaalsContact O-N 3.17Å; L222-S224 PolarHBondContact O-N 2.7Å; L222-N234 HydrophobicContact CD2-CB 4.48Å; L222-I237 HydrophobicContact CD2-CG2 4.18Å; L222-L238 HydrophobicContact CD1-CD1 3.78Å; L222-L238 HydrophobicContact CD1-CD2 4.11Å; L222-L238 HydrophobicContact CD1-CG 4.1Å; L222-L238 HydrophobicContact CD2-CD2 4.32Å; L222-L238 HydrophobicContact CD2-CG 4.27Å; L222-Y428 HydrophobicContact CD1-CD2 4.1Å; L222-Y428 HydrophobicContact CD1-CE2 4.44Å |
| 223 | P | 87.4 | Confident | 89 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 132.7 | 168.1 | 8.6 | -16.9 | 0 | 0 | 0 | 110.9 | T230 N234 | P223-T230 HydrophobicContact CB-CG2 3.91Å; P223-T230 HydrophobicContact CG-CG2 4.28Å; P223-T230 WeakPolarHBondContact O-CG2 3.4Å; P223-N234 VanDerWaalsContact CD-OD1 3.22Å; P223-N234 WeakPolarHBondContact CD-OD1 3.16Å; P223-N234 WeakPolarHBondContact CG-OD1 3.26Å; P223-N234 PolarHBondContact O-ND2 2.88Å |
| 224 | S | 85.4 | Confident | 89.3 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 78% | 0.783 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 145.4 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | L222 | L222-S224 PolarHBondContact O-N 2.7Š|
| 225 | G | 89.1 | Confident | 89.8 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 115.1 | 171 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 226 | F | 92.3 | Very high | 90.4 | Very high | 105 Ų | 105 | 62 Ų | 62 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | trans | -121.6 | 24.1 | -179.1 | -60.8 | -63.6 | 0 | 0 | 0 | 112.3 | V231 L432 P433 L436 | F226-V231 HydrophobicContact CB-CG2 4.41Å; F226-V231 HydrophobicContact CD1-CG2 4.38Å; F226-L432 HydrophobicContact CD1-CD2 3.69Å; F226-L432 HydrophobicContact CE1-CD2 3.84Å; F226-P433 HydrophobicContact CB-CG 4.33Å; F226-P433 HydrophobicContact CD2-CG 4.14Å; F226-P433 HydrophobicContact CG-CG 4.1Å; F226-L436 HydrophobicContact CB-CD1 4.44Å | ||
| 227 | D | 95.4 | Very high | 91 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -65.8 | 149.2 | 167.3 | 73.8 | 87.8 | 0 | 0 | 0 | 110 | E229 T230 V231 | D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.42Å; D227-E229 PolarHBondContact OD1-N 2.89Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 PolarHBondContact O-N 3.48Å; D227-T230 PolarHBondContact OD1-N 2.71Å; D227-T230 PolarHBondContact OD1-OG1 3.26Å; D227-T230 WeakPolarHBondContact OD2-CB 3.41Å; D227-T230 PolarHBondContact OD2-OG1 3.41Å; D227-V231 WeakPolarHBondContact O-CG2 3.11Å; D227-V231 PolarHBondContact O-N 3.02Å | ||
| 228 | L | 95.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | -166.9 | -177.1 | 61.3 | 0 | 0 | 0 | 113 | V231 K232 L447 | L228-V231 PolarHBondContact O-N 3.27Å; L228-K232 HydrophobicContact CD1-CD 4.34Å; L228-K232 HydrophobicContact CD1-CG 4.32Å; L228-K232 HydrophobicContact CG-CD 4.02Å; L228-K232 HydrophobicContact CG-CG 4.43Å; L228-K232 WeakPolarHBondContact O-CB 3.36Å; L228-K232 VanDerWaalsContact O-CG 3.24Å; L228-K232 WeakPolarHBondContact O-CG 3.17Å; L228-K232 PolarHBondContact O-N 3.08Å; L228-L447 HydrophobicContact CD1-CD1 3.83Å |
| 229 | E | 95.9 | Very high | 92.6 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.4 | -38.2 | -178.1 | -72.5 | -55.7 | 134.4 | 0 | 0 | 112 | D227 K232 S233 | D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.42Å; D227-E229 PolarHBondContact OD1-N 2.89Å; E229-K232 PolarHBondContact O-N 3.03Å; E229-K232 WeakPolarHBondContact OE1-CD 3.12Å; E229-K232 WeakPolarHBondContact OE1-CE 2.99Å; E229-K232 IonicContact OE1-NZ 3.69Å; E229-K232 PolarHBondContact OE1-NZ 2.9Å; E229-K232 IonicContact OE2-NZ 2.75Å; E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.41Å; E229-S233 PolarHBondContact O-N 3.39Å |
| 230 | T | 96.7 | Very high | 93.3 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -47 | 169.5 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | P223 D227 S233 N234 | P223-T230 HydrophobicContact CB-CG2 3.91Å; P223-T230 HydrophobicContact CG-CG2 4.28Å; P223-T230 WeakPolarHBondContact O-CG2 3.4Å; D227-T230 VanDerWaalsContact CG-OG1 3.23Å; D227-T230 PolarHBondContact O-N 3.48Å; D227-T230 PolarHBondContact OD1-N 2.71Å; D227-T230 PolarHBondContact OD1-OG1 3.26Å; D227-T230 WeakPolarHBondContact OD2-CB 3.41Å; D227-T230 PolarHBondContact OD2-OG1 3.41Å; T230-S233 PolarHBondContact O-N 2.87Å; T230-N234 WeakPolarHBondContact O-CB 3.43Å; T230-N234 VanDerWaalsContact O-CG 3.28Å; T230-N234 PolarHBondContact O-N 2.66Å |
| 231 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 178.9 | 174 | 0 | 0 | 0 | 0 | 111.5 | F226 D227 L228 S233 N234 I235 Y428 L432 L436 L447 | F226-V231 HydrophobicContact CB-CG2 4.41Å; F226-V231 HydrophobicContact CD1-CG2 4.38Å; D227-V231 WeakPolarHBondContact O-CG2 3.11Å; D227-V231 PolarHBondContact O-N 3.02Å; L228-V231 PolarHBondContact O-N 3.27Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.45Å; V231-N234 PolarHBondContact O-N 3.35Å; V231-I235 HydrophobicContact CG1-CD1 3.84Å; V231-I235 HydrophobicContact CG1-CG1 4.44Å; V231-I235 WeakPolarHBondContact O-CG1 3.31Å; V231-I235 PolarHBondContact O-N 2.89Å; V231-Y428 WeakPolarHBondContact CA-OH 3.46Å; V231-L432 HydrophobicContact CG1-CD1 3.84Å; V231-L432 HydrophobicContact CG1-CD2 3.86Å; V231-L432 HydrophobicContact CG2-CD2 3.91Å; V231-L436 HydrophobicContact CG2-CD1 4.45Å; V231-L447 HydrophobicContact CG1-CD1 4.03Å; V231-L447 HydrophobicContact CG1-CD2 3.95Å; V231-L447 HydrophobicContact CG1-CG 4.44Å |
| 232 | K | 97.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -43.2 | 175.7 | -76.3 | 172.2 | 53.9 | 178.3 | 0 | 111.3 | L228 E229 R236 Q450 E453 D454 | L228-K232 HydrophobicContact CD1-CD 4.34Å; L228-K232 HydrophobicContact CD1-CG 4.32Å; L228-K232 HydrophobicContact CG-CD 4.02Å; L228-K232 HydrophobicContact CG-CG 4.43Å; L228-K232 WeakPolarHBondContact O-CB 3.36Å; L228-K232 VanDerWaalsContact O-CG 3.24Å; L228-K232 WeakPolarHBondContact O-CG 3.17Å; L228-K232 PolarHBondContact O-N 3.08Å; E229-K232 PolarHBondContact O-N 3.03Å; E229-K232 WeakPolarHBondContact OE1-CD 3.12Å; E229-K232 WeakPolarHBondContact OE1-CE 2.99Å; E229-K232 IonicContact OE1-NZ 3.69Å; E229-K232 PolarHBondContact OE1-NZ 2.9Å; E229-K232 IonicContact OE2-NZ 2.75Å; K232-R236 WeakPolarHBondContact O-CG 2.98Å; K232-R236 PolarHBondContact O-N 3.44Å; K232-Q450 HydrophobicContact CD-CB 4.33Å; K232-Q450 VanDerWaalsContact CE-O 3.24Å; K232-Q450 WeakPolarHBondContact CE-O 3.43Å; K232-E453 IonicContact NZ-OE1 3.44Å; K232-E453 PolarHBondContact NZ-OE1 3.11Å; K232-D454 IonicContact NZ-OD2 3.52Å |
| 233 | S | 96.6 | Very high | 95.7 | Very high | 37 Ų | 37 | 39 Ų | 39 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 178.2 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | E229 T230 V231 I235 R236 I237 | E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.41Å; E229-S233 PolarHBondContact O-N 3.39Å; T230-S233 PolarHBondContact O-N 2.87Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.45Å; S233-I235 PolarHBondContact O-N 2.98Å; S233-R236 PolarHBondContact O-N 3.15Å; S233-I237 WeakPolarHBondContact O-CG1 3.37Å; S233-I237 PolarHBondContact O-N 2.74Å |
| 234 | N | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | -179.7 | -71.1 | -12.9 | 0 | 0 | 0 | 112 | L222 P223 T230 V231 R236 I237 L238 Y428 | L222-N234 HydrophobicContact CD2-CB 4.48Å; P223-N234 VanDerWaalsContact CD-OD1 3.22Å; P223-N234 WeakPolarHBondContact CD-OD1 3.16Å; P223-N234 WeakPolarHBondContact CG-OD1 3.26Å; P223-N234 PolarHBondContact O-ND2 2.88Å; T230-N234 WeakPolarHBondContact O-CB 3.43Å; T230-N234 VanDerWaalsContact O-CG 3.28Å; T230-N234 PolarHBondContact O-N 2.66Å; V231-N234 PolarHBondContact O-N 3.35Å; N234-R236 VanDerWaalsContact C-N 3.35Å; N234-R236 PolarHBondContact O-N 3.43Å; N234-I237 PolarHBondContact O-N 2.73Å; N234-L238 WeakPolarHBondContact O-CB 3.4Å; N234-L238 WeakPolarHBondContact O-CG 2.9Å; N234-L238 PolarHBondContact O-N 2.78Å; N234-Y428 HydrophobicContact CB-CD1 4.31Å; N234-Y428 HydrophobicContact CB-CE1 3.51Å; N234-Y428 HydrophobicContact CB-CE2 4.02Å; N234-Y428 WeakPolarHBondContact CB-OH 2.97Å; N234-Y428 PolarHBondContact ND2-OH 2.75Å; N234-Y428 VanDerWaalsContact ND2-OH 3.11Å |
| 235 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 173 | -72.8 | 171.5 | 0 | 0 | 0 | 110.5 | V231 S233 F239 F425 Y428 Y429 L432 L447 L448 S451 F452 | V231-I235 HydrophobicContact CG1-CD1 3.84Å; V231-I235 HydrophobicContact CG1-CG1 4.44Å; V231-I235 WeakPolarHBondContact O-CG1 3.31Å; V231-I235 PolarHBondContact O-N 2.89Å; S233-I235 PolarHBondContact O-N 2.98Å; I235-F239 WeakPolarHBondContact O-CB 3.37Å; I235-F239 PolarHBondContact O-N 2.8Å; I235-F425 HydrophobicContact CG2-CE2 4.07Å; I235-F425 HydrophobicContact CG2-CZ 4.48Å; I235-Y428 HydrophobicContact CG1-CE1 4.13Å; I235-Y429 HydrophobicContact CD1-CD2 4.11Å; I235-Y429 HydrophobicContact CD1-CE2 3.93Å; I235-Y429 HydrophobicContact CG1-CD2 4.31Å; I235-L432 HydrophobicContact CD1-CD1 4.48Å; I235-L447 HydrophobicContact CD1-CD1 4.37Å; I235-L447 HydrophobicContact CD1-CD2 3.84Å; I235-L447 HydrophobicContact CD1-CG 3.77Å; I235-L448 HydrophobicContact CG2-CD1 4.13Å; I235-S451 WeakPolarHBondContact CD1-OG 3.24Å; I235-F452 HydrophobicContact CG2-CE2 4.24Å |
| 236 | R | 97.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 177.3 | -72 | -173.9 | -66.7 | -94.3 | 3.7 | 112 | K232 S233 N234 L238 F239 E240 S451 F452 | K232-R236 WeakPolarHBondContact O-CG 2.98Å; K232-R236 PolarHBondContact O-N 3.44Å; S233-R236 PolarHBondContact O-N 3.15Å; N234-R236 VanDerWaalsContact C-N 3.35Å; N234-R236 PolarHBondContact O-N 3.43Å; R236-L238 PolarHBondContact O-N 2.95Å; R236-F239 PolarHBondContact O-N 2.96Å; R236-E240 WeakPolarHBondContact O-CB 3.12Å; R236-E240 VanDerWaalsContact O-CG 3.3Å; R236-E240 WeakPolarHBondContact O-CG 3.23Å; R236-E240 PolarHBondContact O-N 3.1Å; R236-S451 WeakPolarHBondContact CD-O 3.38Å; R236-S451 WeakPolarHBondContact CG-O 3.26Å; R236-S451 PolarHBondContact NH1-O 2.92Å; R236-F452 HydrophobicContact CB-CE1 4.43Å; R236-F452 HydrophobicContact CG-CD1 4.07Å; R236-F452 HydrophobicContact CG-CE1 3.85Å; R236-F452 HydrophobicContact CG-CZ 4.27Å |
| 237 | I | 97.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 30.6 Ų | 30.6 | 33% | 0.333 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59 | -49.5 | -177.4 | -69.2 | 165.3 | 0 | 0 | 0 | 110.7 | V219 L222 S233 N234 N241 | V219-I237 HydrophobicContact CG1-CG2 3.63Å; V219-I237 HydrophobicContact CG2-CG2 4.14Å; L222-I237 HydrophobicContact CD2-CG2 4.18Å; S233-I237 WeakPolarHBondContact O-CG1 3.37Å; S233-I237 PolarHBondContact O-N 2.74Å; N234-I237 PolarHBondContact O-N 2.73Å; I237-N241 WeakPolarHBondContact O-CB 3.17Å; I237-N241 PolarHBondContact O-N 3.48Å |
| 238 | L | 97.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | -177.5 | -70.7 | 175.1 | 0 | 0 | 0 | 112.2 | L222 N234 R236 N241 A242 R424 F425 Y428 | L222-L238 HydrophobicContact CD1-CD1 3.78Å; L222-L238 HydrophobicContact CD1-CD2 4.11Å; L222-L238 HydrophobicContact CD1-CG 4.1Å; L222-L238 HydrophobicContact CD2-CD2 4.32Å; L222-L238 HydrophobicContact CD2-CG 4.27Å; N234-L238 WeakPolarHBondContact O-CB 3.4Å; N234-L238 WeakPolarHBondContact O-CG 2.9Å; N234-L238 PolarHBondContact O-N 2.78Å; R236-L238 PolarHBondContact O-N 2.95Å; L238-N241 PolarHBondContact O-N 3.21Å; L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.91Å; L238-R424 HydrophobicContact CD2-CB 4.2Å; L238-F425 HydrophobicContact CB-CB 4.39Å; L238-F425 HydrophobicContact CB-CD2 3.85Å; L238-Y428 HydrophobicContact CD1-CD1 3.65Å; L238-Y428 HydrophobicContact CD1-CD2 4.18Å; L238-Y428 HydrophobicContact CD1-CG 3.42Å; L238-Y428 VanDerWaalsContact CD1-CG 3.42Å |
| 239 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 176.9 | -170.3 | -107.5 | 0 | 0 | 0 | 111.9 | I235 R236 N241 A242 V243 L265 V266 V269 P419 F420 F425 F452 | I235-F239 WeakPolarHBondContact O-CB 3.37Å; I235-F239 PolarHBondContact O-N 2.8Å; R236-F239 PolarHBondContact O-N 2.96Å; F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 PolarHBondContact O-N 2.79Å; F239-A242 WeakPolarHBondContact O-CB 3.48Å; F239-A242 PolarHBondContact O-N 2.98Å; F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 HydrophobicContact CZ-CG2 4.42Å; F239-V243 WeakPolarHBondContact O-CG2 3.25Å; F239-V243 PolarHBondContact O-N 2.87Å; F239-L265 HydrophobicContact CE1-CB 4.23Å; F239-V266 HydrophobicContact CZ-CG2 3.81Å; F239-V269 HydrophobicContact CD1-CG2 4.12Å; F239-V269 HydrophobicContact CE1-CB 4.33Å; F239-V269 HydrophobicContact CE1-CG2 4.04Å; F239-P419 HydrophobicContact CE2-CB 4.39Å; F239-P419 HydrophobicContact CE2-CG 4.36Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; F239-F420 HydrophobicContact CD2-CD1 4.32Å; F239-F420 HydrophobicContact CD2-CE1 4.16Å; F239-F420 HydrophobicContact CD2-CZ 4.43Å; F239-F420 AromaticContact CE2-CD1 3.76Å; F239-F420 HydrophobicContact CE2-CD1 3.76Å; F239-F420 AromaticContact CE2-CD2 3.78Å; F239-F420 HydrophobicContact CE2-CD2 3.78Å; F239-F420 AromaticContact CE2-CE1 3.56Å; F239-F420 HydrophobicContact CE2-CE1 3.56Å; F239-F420 AromaticContact CE2-CE2 3.61Å; F239-F420 HydrophobicContact CE2-CE2 3.61Å; F239-F420 AromaticContact CE2-CG 3.85Å; F239-F420 HydrophobicContact CE2-CG 3.85Å; F239-F420 AromaticContact CE2-CZ 3.48Å; F239-F420 HydrophobicContact CE2-CZ 3.48Å; F239-F420 VanDerWaalsContact CE2-CZ 3.48Å; F239-F420 HydrophobicContact CZ-CD2 4.16Å; F239-F420 HydrophobicContact CZ-CE1 4.13Å; F239-F420 AromaticContact CZ-CE2 3.61Å; F239-F420 HydrophobicContact CZ-CE2 3.61Å; F239-F420 AromaticContact CZ-CZ 3.58Å; F239-F420 HydrophobicContact CZ-CZ 3.58Å; F239-F425 HydrophobicContact CB-CD2 4.01Å; F239-F425 HydrophobicContact CB-CE2 3.74Å; F239-F425 HydrophobicContact CB-CZ 4.39Å; F239-F425 HydrophobicContact CD2-CD2 4.44Å; F239-F425 HydrophobicContact CD2-CE1 4.21Å; F239-F425 HydrophobicContact CD2-CE2 4.11Å; F239-F425 AromaticContact CD2-CZ 3.99Å; F239-F425 HydrophobicContact CD2-CZ 3.99Å; F239-F425 HydrophobicContact CG-CE2 4.37Å; F239-F452 HydrophobicContact CB-CZ 4.14Å; F239-F452 HydrophobicContact CD1-CE1 4.39Å; F239-F452 HydrophobicContact CD1-CE2 4.48Å; F239-F452 AromaticContact CD1-CZ 3.7Å; F239-F452 HydrophobicContact CD1-CZ 3.7Å; F239-F452 HydrophobicContact CE1-CZ 4.47Å; F239-F452 HydrophobicContact CG-CZ 4.17Å |
| 240 | E | 98.2 | Very high | 97.8 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 173.2 | -72.8 | -171.3 | -177.2 | 0 | 0 | 111.3 | R236 V243 R244 V269 K272 L273 | R236-E240 WeakPolarHBondContact O-CB 3.12Å; R236-E240 VanDerWaalsContact O-CG 3.3Å; R236-E240 WeakPolarHBondContact O-CG 3.23Å; R236-E240 PolarHBondContact O-N 3.1Å; E240-V243 PolarHBondContact O-N 3.5Å; E240-R244 VanDerWaalsContact O-CB 3.25Å; E240-R244 WeakPolarHBondContact O-CB 3.41Å; E240-R244 PolarHBondContact O-N 2.89Å; E240-V269 HydrophobicContact CB-CG1 4.48Å; E240-V269 HydrophobicContact CG-CG1 3.96Å; E240-K272 IonicContact OE1-NZ 3.63Å; E240-K272 PolarHBondContact OE1-NZ 3.03Å; E240-K272 IonicContact OE2-NZ 2.87Å; E240-K272 PolarHBondContact OE2-NZ 3.1Å; E240-L273 VanDerWaalsContact O-CD1 3.31Å; E240-L273 WeakPolarHBondContact O-CD1 3.29Å |
| 241 | N | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.8 | -171.8 | 45.4 | 0 | 0 | 0 | 112.6 | D217 T218 V219 I237 L238 F239 V243 R244 K245 | D217-N241 PolarHBondContact OD1-ND2 3.01Å; D217-N241 PolarHBondContact OD2-ND2 2.8Å; T218-N241 PolarHBondContact OG1-OD1 3.22Å; V219-N241 HydrophobicContact CG2-CB 3.53Å; I237-N241 WeakPolarHBondContact O-CB 3.17Å; I237-N241 PolarHBondContact O-N 3.48Å; L238-N241 PolarHBondContact O-N 3.21Å; F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 PolarHBondContact O-N 2.79Å; N241-V243 VanDerWaalsContact C-N 3.29Å; N241-V243 PolarHBondContact O-N 2.84Å; N241-R244 PolarHBondContact O-N 3.22Å; N241-K245 WeakPolarHBondContact ND2-CE 3.44Å; N241-K245 WeakPolarHBondContact O-CG 3.42Å; N241-K245 PolarHBondContact O-N 3.33Å |
| 242 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L238 F239 R246 P419 D422 | L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.91Å; F239-A242 WeakPolarHBondContact O-CB 3.48Å; F239-A242 PolarHBondContact O-N 2.98Å; A242-R246 WeakPolarHBondContact O-CD 3.49Å; A242-R246 VanDerWaalsContact O-CG 3.3Å; A242-R246 WeakPolarHBondContact O-CG 3.39Å; A242-R246 PolarHBondContact O-NH1 2.5Å; A242-P419 HydrophobicContact CB-CB 4.09Å; A242-P419 WeakPolarHBondContact CB-O 3.33Å; A242-D422 HydrophobicContact CB-CB 3.4Å |
| 243 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.5 | -42.2 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | F239 E240 N241 R246 L247 V269 L270 L273 F362 P419 | F239-V243 HydrophobicContact CE1-CG2 4.27Å; F239-V243 HydrophobicContact CZ-CG2 4.42Å; F239-V243 WeakPolarHBondContact O-CG2 3.25Å; F239-V243 PolarHBondContact O-N 2.87Å; E240-V243 PolarHBondContact O-N 3.5Å; N241-V243 VanDerWaalsContact C-N 3.29Å; N241-V243 PolarHBondContact O-N 2.84Å; V243-R246 CarbonylContact O-C 3.58Å; V243-R246 WeakPolarHBondContact O-CA 3.17Å; V243-R246 WeakPolarHBondContact O-CB 3.32Å; V243-R246 PolarHBondContact O-N 2.85Å; V243-R246 VanDerWaalsContact O-N 3.13Å; V243-L247 PolarHBondContact O-N 2.82Å; V243-V269 HydrophobicContact CB-CG1 3.9Å; V243-V269 HydrophobicContact CG1-CG1 4.15Å; V243-V269 HydrophobicContact CG2-CB 4.45Å; V243-V269 HydrophobicContact CG2-CG1 3.83Å; V243-L270 HydrophobicContact CG1-CB 4.06Å; V243-L270 HydrophobicContact CG1-CD1 4.01Å; V243-L273 HydrophobicContact CB-CD1 3.59Å; V243-L273 HydrophobicContact CG1-CD1 3.6Å; V243-F362 HydrophobicContact CG1-CE1 3.97Å; V243-P419 HydrophobicContact CG2-CB 3.69Å; V243-P419 HydrophobicContact CG2-CG 3.91Å |
| 244 | R | 98.5 | Very high | 98 | Very high | 97 Ų | 97 | 28.4 Ų | 28.4 | 37% | 0.366 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.5 | -49.2 | -177.3 | -171.3 | -176.7 | -60.4 | -78.5 | 4.4 | 112.3 | E240 N241 R246 L247 L273 E276 | E240-R244 VanDerWaalsContact O-CB 3.25Å; E240-R244 WeakPolarHBondContact O-CB 3.41Å; E240-R244 PolarHBondContact O-N 2.89Å; N241-R244 PolarHBondContact O-N 3.22Å; R244-R246 PolarHBondContact O-N 3.05Å; R244-L247 WeakPolarHBondContact O-CB 3.32Å; R244-L247 WeakPolarHBondContact O-CG 3.45Å; R244-L247 PolarHBondContact O-N 3.43Å; R244-L273 HydrophobicContact CB-CD1 4.06Å; R244-L273 HydrophobicContact CB-CD2 4.49Å; R244-E276 IonicContact CZ-OE2 3.32Å; R244-E276 VanDerWaalsContact CZ-OE2 3.24Å; R244-E276 IonicContact NH1-OE2 2.74Å; R244-E276 PolarHBondContact NH1-OE2 2.68Å; R244-E276 IonicContact NH2-OE2 3.53Å; R244-E276 PolarHBondContact NH2-OE2 3.21Å |
| 245 | K | 97.9 | Very high | 98.1 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 10% | 0.1 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -26.5 | 178.8 | 74.6 | -180 | 75.4 | 167.6 | 0 | 112.2 | Y79 D118 D217 N241 L247 D422 | Y79-K245 HydrophobicContact CD2-CD 4.34Å; Y79-K245 HydrophobicContact CD2-CG 4.44Å; Y79-K245 HydrophobicContact CG-CD 4.38Å; Y79-K245 HydrophobicContact CG-CG 4.16Å; D118-K245 IonicContact OD1-NZ 3.81Å; D118-K245 VanDerWaalsContact OD2-CD 3.28Å; D118-K245 WeakPolarHBondContact OD2-CD 3.38Å; D118-K245 WeakPolarHBondContact OD2-CE 3.33Å; D118-K245 IonicContact OD2-NZ 2.68Å; D118-K245 PolarHBondContact OD2-NZ 3.43Å; D217-K245 IonicContact OD2-NZ 3.24Å; D217-K245 PolarHBondContact OD2-NZ 3.11Å; N241-K245 WeakPolarHBondContact ND2-CE 3.44Å; N241-K245 WeakPolarHBondContact O-CG 3.42Å; N241-K245 PolarHBondContact O-N 3.33Å; K245-L247 VanDerWaalsContact C-N 3.29Å; K245-L247 PolarHBondContact O-N 3.36Å; K245-D422 WeakPolarHBondContact CD-OD2 3.11Å; K245-D422 VanDerWaalsContact CE-OD2 3.26Å; K245-D422 WeakPolarHBondContact CE-OD2 3.24Å; K245-D422 IonicContact NZ-OD1 3.73Å; K245-D422 PolarHBondContact NZ-OD1 3.08Å; K245-D422 IonicContact NZ-OD2 2.73Å; K245-D422 PolarHBondContact NZ-OD2 3.36Å |
| 246 | R | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.5 | 174.5 | -73.1 | 168.8 | -178.4 | 67.1 | 1.4 | 113.7 | Y79 A242 V243 R244 M248 F362 R417 D422 | Y79-R246 HydrophobicContact CD1-CG 4.11Å; Y79-R246 HydrophobicContact CD2-CG 4.38Å; Y79-R246 HydrophobicContact CE1-CB 4.35Å; Y79-R246 HydrophobicContact CE1-CG 3.65Å; Y79-R246 HydrophobicContact CE2-CG 3.97Å; Y79-R246 HydrophobicContact CG-CG 4.46Å; A242-R246 WeakPolarHBondContact O-CD 3.49Å; A242-R246 VanDerWaalsContact O-CG 3.3Å; A242-R246 WeakPolarHBondContact O-CG 3.39Å; A242-R246 PolarHBondContact O-NH1 2.5Å; V243-R246 CarbonylContact O-C 3.58Å; V243-R246 WeakPolarHBondContact O-CA 3.17Å; V243-R246 WeakPolarHBondContact O-CB 3.32Å; V243-R246 PolarHBondContact O-N 2.85Å; V243-R246 VanDerWaalsContact O-N 3.13Å; R244-R246 PolarHBondContact O-N 3.05Å; R246-M248 PolarHBondContact O-N 3.34Å; R246-F362 HydrophobicContact CB-CE1 3.65Å; R246-F362 HydrophobicContact CB-CZ 3.6Å; R246-F362 WeakPolarHBondContact O-CZ 3.47Å; R246-R417 WeakPolarHBondContact O-CD 3.07Å; R246-R417 PolarHBondContact O-NH1 3.41Å; R246-D422 IonicContact CZ-OD2 2.76Å; R246-D422 IonicContact NH1-OD2 3.91Å; R246-D422 PolarHBondContact NH1-OD2 2.92Å; R246-D422 VanDerWaalsContact NH2-CA 3.32Å; R246-D422 IonicContact NH2-OD2 3.48Å; R246-D422 PolarHBondContact NH2-OD2 3.43Å |
| 247 | L | 98.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.12 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.1 | 167.8 | -62.8 | -178.3 | 0 | 0 | 0 | 113.2 | V243 R244 K245 T249 I253 L270 L273 M274 A277 | V243-L247 PolarHBondContact O-N 2.82Å; R244-L247 WeakPolarHBondContact O-CB 3.32Å; R244-L247 WeakPolarHBondContact O-CG 3.45Å; R244-L247 PolarHBondContact O-N 3.43Å; K245-L247 VanDerWaalsContact C-N 3.29Å; K245-L247 PolarHBondContact O-N 3.36Å; L247-T249 PolarHBondContact O-N 3.26Å; L247-I253 HydrophobicContact CD2-CD1 3.88Å; L247-L270 HydrophobicContact CD2-CD1 3.49Å; L247-L270 VanDerWaalsContact CD2-CD1 3.49Å; L247-L273 HydrophobicContact CD1-CB 4.01Å; L247-M274 HydrophobicContact CD2-CG 4.08Å; L247-A277 HydrophobicContact CD1-CB 3.97Å |
| 248 | M | 97.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 15% | 0.148 | 11% | 0.114 | C | C | . | . | trans | -61.8 | 96.2 | -179.2 | 179.4 | -178.2 | 90.9 | 0 | 0 | 112.6 | V53 E77 Y79 F81 D97 R246 R417 | V53-M248 HydrophobicContact CG2-CE 4.27Å; V53-M248 HydrophobicContact CG2-CG 4.23Å; E77-M248 HydrophobicContact CB-CE 4.03Å; E77-M248 WeakPolarHBondContact OE2-CE 3.48Å; Y79-M248 HydrophobicContact CD1-CE 4.04Å; F81-M248 HydrophobicContact CD1-CE 4.44Å; F81-M248 HydrophobicContact CD1-SD 3.49Å; F81-M248 WeakPolarHBondContact CD1-SD 3.4Å; F81-M248 HydrophobicContact CE1-CG 4.18Å; F81-M248 HydrophobicContact CE1-SD 3.35Å; F81-M248 WeakPolarHBondContact CE1-SD 3.44Å; D97-M248 HydrophobicContact CB-CE 3.79Å; D97-M248 HydrophobicContact CB-SD 4.32Å; R246-M248 PolarHBondContact O-N 3.34Å; M248-R417 VanDerWaalsContact O-CZ 3.24Å; M248-R417 PolarHBondContact O-NH1 3.35Å; M248-R417 PolarHBondContact O-NH2 3.45Å | ||
| 249 | T | 97.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 19% | 0.19 | 11% | 0.114 | C | C | . | . | trans | -167.5 | 158.3 | 175.8 | 179 | 0 | 0 | 0 | 0 | 111.5 | V52 L247 R251 I253 V360 | V52-T249 VanDerWaalsContact CG1-OG1 3.26Å; V52-T249 WeakPolarHBondContact CG1-OG1 3.28Å; V52-T249 PolarHBondContact O-OG1 3.3Å; L247-T249 PolarHBondContact O-N 3.26Å; T249-R251 VanDerWaalsContact CG2-O 3.25Å; T249-R251 WeakPolarHBondContact CG2-O 3.4Å; T249-R251 PolarHBondContact OG1-N 3.38Å; T249-R251 PolarHBondContact OG1-O 3.27Å; T249-I253 HydrophobicContact CG2-CD1 3.76Å; T249-I253 HydrophobicContact CG2-CG1 3.59Å; T249-V360 HydrophobicContact CG2-CG2 4.2Å | ||
| 250 | H | 96.2 | Very high | 97.8 | Very high | 119 Ų | 119 | 25.9 Ų | 25.9 | 55% | 0.551 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -103.7 | 6.9 | 165.6 | -59.3 | 89.9 | 0 | 0 | 0 | 112.5 | V52 D54 | V52-H250 PolarHBondContact O-N 3.33Å; D54-H250 PolarHBondContact N-ND1 3.07Å |
| 251 | R | 97.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 24.5 Ų | 24.5 | 24% | 0.238 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -111.9 | 158.5 | -180 | -59 | -66.1 | -70.9 | -87 | 6.5 | 110.4 | D30 S51 T249 I253 V359 V360 | D30-R251 IonicContact OD2-NH1 3.89Å; D30-R251 PolarHBondContact OD2-NH1 2.99Å; S51-R251 VanDerWaalsContact O-CD 3.31Å; S51-R251 WeakPolarHBondContact O-CD 3.33Å; S51-R251 WeakPolarHBondContact O-CG 3.43Å; S51-R251 PolarHBondContact O-NH1 3.46Å; T249-R251 VanDerWaalsContact CG2-O 3.25Å; T249-R251 WeakPolarHBondContact CG2-O 3.4Å; T249-R251 PolarHBondContact OG1-N 3.38Å; T249-R251 PolarHBondContact OG1-O 3.27Å; R251-I253 PolarHBondContact O-N 3.14Å; R251-V359 HydrophobicContact CB-CB 4.03Å; R251-V359 HydrophobicContact CB-CG1 4.29Å; R251-V359 HydrophobicContact CG-CG1 4.41Å; R251-V360 HydrophobicContact CB-CG2 4.49Å |
| 252 | R | 98.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 134 | 179.4 | -166.4 | 177.9 | -176.3 | 173.5 | -2.2 | 110.8 | Y281 P282 Q284 E309 D357 V359 V360 | R252-Y281 HydrophobicContact CG-CD1 4.33Å; R252-Y281 HydrophobicContact CG-CD2 3.7Å; R252-Y281 HydrophobicContact CG-CE1 4.19Å; R252-Y281 HydrophobicContact CG-CE2 3.55Å; R252-Y281 HydrophobicContact CG-CG 4.11Å; R252-P282 PolarHBondContact NH2-O 3.31Å; R252-Q284 VanDerWaalsContact CZ-CD 3.41Å; R252-E309 IonicContact NH2-OE2 2.88Å; R252-E309 PolarHBondContact NH2-OE2 3.13Å; R252-D357 WeakPolarHBondContact CB-O 3.31Å; R252-D357 VanDerWaalsContact CD-CG 3.41Å; R252-D357 WeakPolarHBondContact CD-OD1 3.3Å; R252-D357 WeakPolarHBondContact CD-OD2 3.33Å; R252-D357 IonicContact CZ-OD1 3.45Å; R252-D357 IonicContact NE-OD1 2.82Å; R252-D357 IonicContact NH1-OD1 2.81Å; R252-D357 PolarHBondContact NH1-OD1 2.99Å; R252-D357 IonicContact NH1-OD2 3.14Å; R252-V359 PolarHBondContact O-N 3.34Å; R252-V360 PolarHBondContact O-N 3.37Å; R252-V360 VanDerWaalsContact O-N 3.15Å |
| 253 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.7 | 175 | -60 | 170.4 | 0 | 0 | 0 | 109.6 | L247 T249 R251 L270 Y281 L283 V360 F362 | L247-I253 HydrophobicContact CD2-CD1 3.88Å; T249-I253 HydrophobicContact CG2-CD1 3.76Å; T249-I253 HydrophobicContact CG2-CG1 3.59Å; R251-I253 PolarHBondContact O-N 3.14Å; I253-L270 HydrophobicContact CG2-CD1 4.19Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; I253-Y281 HydrophobicContact CB-CE2 4.49Å; I253-Y281 WeakPolarHBondContact CB-OH 3.32Å; I253-Y281 WeakPolarHBondContact CG1-OH 3.46Å; I253-Y281 PolarHBondContact N-OH 3.09Å; I253-L283 HydrophobicContact CG2-CD1 4.5Å; I253-V360 CarbonylContact C-O 3.58Å; I253-V360 WeakPolarHBondContact CA-O 3.4Å; I253-V360 HydrophobicContact CG1-CB 4.22Å; I253-V360 HydrophobicContact CG1-CG1 4.31Å; I253-F362 HydrophobicContact CD1-CE2 4.37Å; I253-F362 HydrophobicContact CG1-CE2 4.5Å; I253-F362 HydrophobicContact CG2-CD2 3.53Å; I253-F362 HydrophobicContact CG2-CE2 3.49Å; I253-F362 VanDerWaalsContact CG2-CE2 3.49Å |
| 254 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 176.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q284 V360 I361 F362 | G254-Q284 CarbonylContact C-O 3.51Å; G254-Q284 VanDerWaalsContact CA-O 3.28Å; G254-Q284 WeakPolarHBondContact CA-O 3.26Å; G254-V360 PolarHBondContact N-O 3.44Å; G254-I361 WeakPolarHBondContact O-CA 3.22Å; G254-F362 PolarHBondContact O-N 2.88Å |
| 255 | C | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136 | 180 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | L270 L283 Q284 T285 F286 F362 | C255-L270 HydrophobicContact CB-CD2 3.93Å; C255-L283 HydrophobicContact CB-CD1 4.26Å; C255-Q284 PolarHBondContact N-O 3.04Å; C255-T285 HydrophobicContact CB-CG2 4.33Å; C255-T285 CarbonylContact O-C 3.58Å; C255-T285 VanDerWaalsContact O-CA 3.26Å; C255-T285 WeakPolarHBondContact O-CA 3.34Å; C255-F286 PolarHBondContact O-N 2.59Å; C255-F362 WeakPolarHBondContact CA-O 3.11Å; C255-F362 HydrophobicContact CB-CB 4.26Å |
| 256 | L | 98.8 | Very high | 97.8 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 10% | 0.099 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.4 | 164.6 | -60.1 | -176.9 | 0 | 0 | 0 | 108.9 | F286 M345 V348 I352 I361 F362 | L256-F286 HydrophobicContact CD2-CB 4.18Å; L256-M345 HydrophobicContact CD1-CE 3.56Å; L256-M345 HydrophobicContact CD1-CG 4.42Å; L256-V348 HydrophobicContact CD2-CG1 4.03Å; L256-V348 HydrophobicContact CD2-CG2 4.38Å; L256-I352 HydrophobicContact CD2-CD1 3.92Å; L256-I361 HydrophobicContact CD1-CG2 4.37Å; L256-I361 HydrophobicContact CD2-CG2 3.9Å; L256-I361 HydrophobicContact CG-CG2 3.64Å; L256-F362 PolarHBondContact N-O 2.86Å |
| 257 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | trans | -137.8 | 100.9 | -177.7 | 179.2 | 61.5 | 0 | 0 | 0 | 109.3 | A267 T285 F286 A287 A299 V302 A303 | L257-A267 HydrophobicContact CD1-CB 4.09Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.12Å; L257-F286 PolarHBondContact N-O 2.93Å; L257-A287 WeakPolarHBondContact O-CA 3.38Å; L257-A287 WeakPolarHBondContact O-CB 3.44Å; L257-A299 HydrophobicContact CD2-CB 4.5Å; L257-A299 HydrophobicContact CG-CB 4.07Å; L257-A299 WeakPolarHBondContact O-CB 3.24Å; L257-V302 HydrophobicContact CD1-CB 4.13Å; L257-V302 HydrophobicContact CD1-CG1 3.78Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.17Å; L257-A303 HydrophobicContact CD2-CB 3.97Å | ||
| 258 | S | 95.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 18.4 Ų | 18.4 | 21% | 0.21 | 10% | 0.096 | C | C | . | . | trans | -89.2 | -10.7 | 175.5 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | G260 S263 D295 | S258-G260 PolarHBondContact O-N 3.48Å; S258-G260 PolarHBondContact OG-N 3.36Å; S258-S263 PolarHBondContact N-OG 3.3Å; S258-S263 VanDerWaalsContact N-OG 3.11Å; S258-S263 PolarHBondContact OG-OG 3.33Å; S258-D295 CarbonylContact O-C 3.4Å; S258-D295 VanDerWaalsContact O-CA 3.32Å; S258-D295 WeakPolarHBondContact O-CA 3.45Å; S258-D295 WeakPolarHBondContact O-CB 3.38Å; S258-D295 VanDerWaalsContact O-O 3.06Å | ||
| 259 | G | 94.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 76 | 0.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S264 | G259-S264 WeakPolarHBondContact CA-OG 3.16Š|
| 260 | G | 95.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 15.5 Ų | 15.5 | 23% | 0.227 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -69.4 | 161.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S258 D262 S263 S264 | S258-G260 PolarHBondContact O-N 3.48Å; S258-G260 PolarHBondContact OG-N 3.36Å; G260-D262 VanDerWaalsContact C-N 3.32Å; G260-D262 PolarHBondContact O-N 3.43Å; G260-S263 PolarHBondContact O-OG 3.4Å; G260-S264 WeakPolarHBondContact O-CB 3.27Å; G260-S264 PolarHBondContact O-N 3.1Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.46Å |
| 261 | L | 97.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 10.6 Ų | 10.6 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -49.6 | -50.3 | -175.5 | 176.4 | 66 | 0 | 0 | 0 | 112.8 | S264 L265 K445 L448 R449 L458 L463 | L261-S264 PolarHBondContact O-N 3.18Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CG 4.08Å; L261-L265 HydrophobicContact CG-CD1 4Å; L261-L265 HydrophobicContact CG-CG 4.5Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.05Å; L261-K445 HydrophobicContact CD2-CB 4.02Å; L261-K445 HydrophobicContact CD2-CD 3.86Å; L261-L448 HydrophobicContact CD2-CD2 3.99Å; L261-L448 HydrophobicContact CD2-CG 4.49Å; L261-R449 HydrophobicContact CD1-CG 4.18Å; L261-R449 HydrophobicContact CD2-CG 3.54Å; L261-L458 HydrophobicContact CD1-CD1 4.46Å; L261-L463 HydrophobicContact CD1-CD1 3.79Å |
| 262 | D | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 11 Ų | 11 | 8% | 0.075 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.5 | -52.1 | -166.7 | -40.1 | -59.1 | 0 | 0 | 0 | 112.1 | G260 S264 L265 V266 S367 F420 K445 | G260-D262 VanDerWaalsContact C-N 3.32Å; G260-D262 PolarHBondContact O-N 3.43Å; D262-S264 PolarHBondContact O-N 2.53Å; D262-L265 PolarHBondContact O-N 3.36Å; D262-V266 WeakPolarHBondContact O-CG2 3.31Å; D262-V266 PolarHBondContact O-N 2.91Å; D262-S367 VanDerWaalsContact CG-OG 3.28Å; D262-S367 WeakPolarHBondContact OD1-CB 3.48Å; D262-S367 PolarHBondContact OD1-OG 3.48Å; D262-F420 HydrophobicContact CB-CE2 3.78Å; D262-F420 HydrophobicContact CB-CZ 4.14Å; D262-K445 IonicContact OD1-NZ 2.95Å; D262-K445 PolarHBondContact OD1-NZ 2.75Å; D262-K445 IonicContact OD2-NZ 3.95Å; D262-K445 PolarHBondContact OD2-NZ 3.01Å |
| 263 | S | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 6% | 0.063 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63 | -32.7 | 177.9 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | S258 G260 A267 | S258-S263 PolarHBondContact N-OG 3.3Å; S258-S263 VanDerWaalsContact N-OG 3.11Å; S258-S263 PolarHBondContact OG-OG 3.33Å; G260-S263 PolarHBondContact O-OG 3.4Å; S263-A267 WeakPolarHBondContact O-CB 3.45Å; S263-A267 PolarHBondContact O-N 3.46Å |
| 264 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 112 | G259 G260 L261 D262 V266 A267 A268 V302 | G259-S264 WeakPolarHBondContact CA-OG 3.16Å; G260-S264 WeakPolarHBondContact O-CB 3.27Å; G260-S264 PolarHBondContact O-N 3.1Å; G260-S264 VanDerWaalsContact O-N 3.14Å; G260-S264 PolarHBondContact O-OG 3.46Å; L261-S264 PolarHBondContact O-N 3.18Å; D262-S264 PolarHBondContact O-N 2.53Å; S264-V266 VanDerWaalsContact C-N 3.35Å; S264-V266 PolarHBondContact O-N 2.97Å; S264-A267 PolarHBondContact O-N 2.58Å; S264-A268 WeakPolarHBondContact O-CB 3.45Å; S264-A268 PolarHBondContact O-N 3.04Å; S264-V302 WeakPolarHBondContact OG-CG2 3.48Å |
| 265 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175 | -76 | 175.6 | 0 | 0 | 0 | 111.2 | F239 L261 D262 A268 V269 L448 F452 L458 | F239-L265 HydrophobicContact CE1-CB 4.23Å; L261-L265 HydrophobicContact CD1-CD1 3.86Å; L261-L265 HydrophobicContact CD1-CG 4.08Å; L261-L265 HydrophobicContact CG-CD1 4Å; L261-L265 HydrophobicContact CG-CG 4.5Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.05Å; D262-L265 PolarHBondContact O-N 3.36Å; L265-A268 PolarHBondContact O-N 3.29Å; L265-V269 WeakPolarHBondContact O-CB 3.46Å; L265-V269 VanDerWaalsContact O-CG2 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 3.12Å; L265-L448 HydrophobicContact CD1-CD1 4.34Å; L265-L448 HydrophobicContact CD1-CD2 4.07Å; L265-L448 HydrophobicContact CD1-CG 4Å; L265-F452 HydrophobicContact CD1-CD2 3.78Å; L265-F452 HydrophobicContact CD1-CE2 4.02Å; L265-F452 HydrophobicContact CD2-CB 3.8Å; L265-F452 HydrophobicContact CD2-CD1 4.08Å; L265-F452 HydrophobicContact CD2-CD2 3.69Å; L265-F452 HydrophobicContact CD2-CE2 4.28Å; L265-F452 HydrophobicContact CD2-CG 3.58Å; L265-F452 HydrophobicContact CG-CD2 4.4Å; L265-L458 HydrophobicContact CD2-CD1 3.71Å; L265-L458 HydrophobicContact CD2-CG 4.36Å; L265-L458 HydrophobicContact CG-CD1 3.91Å |
| 266 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | F239 D262 S264 A268 L270 F362 P419 F420 | F239-V266 HydrophobicContact CZ-CG2 3.81Å; D262-V266 WeakPolarHBondContact O-CG2 3.31Å; D262-V266 PolarHBondContact O-N 2.91Å; S264-V266 VanDerWaalsContact C-N 3.35Å; S264-V266 PolarHBondContact O-N 2.97Å; V266-A268 PolarHBondContact O-N 3.15Å; V266-L270 WeakPolarHBondContact O-CB 3.23Å; V266-L270 PolarHBondContact O-N 3.41Å; V266-F362 HydrophobicContact CG1-CB 3.79Å; V266-F362 HydrophobicContact CG1-CD1 4.08Å; V266-F362 HydrophobicContact CG1-CG 4.42Å; V266-P419 HydrophobicContact CG1-CG 4.13Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; V266-F420 HydrophobicContact CG2-CD2 4.06Å; V266-F420 HydrophobicContact CG2-CE2 3.71Å |
| 267 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L257 S263 S264 L271 T285 I306 | L257-A267 HydrophobicContact CD1-CB 4.09Å; S263-A267 WeakPolarHBondContact O-CB 3.45Å; S263-A267 PolarHBondContact O-N 3.46Å; S264-A267 PolarHBondContact O-N 2.58Å; A267-L271 WeakPolarHBondContact O-CB 3.4Å; A267-L271 PolarHBondContact O-N 2.88Å; A267-T285 HydrophobicContact CB-CG2 4.43Å; A267-I306 HydrophobicContact CB-CD1 3.94Å |
| 268 | A | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S264 L265 V266 L271 K272 I306 L457 L458 | S264-A268 WeakPolarHBondContact O-CB 3.45Å; S264-A268 PolarHBondContact O-N 3.04Å; L265-A268 PolarHBondContact O-N 3.29Å; V266-A268 PolarHBondContact O-N 3.15Å; A268-L271 PolarHBondContact O-N 2.96Å; A268-K272 PolarHBondContact O-N 2.74Å; A268-K272 VanDerWaalsContact O-N 3.07Å; A268-I306 HydrophobicContact CB-CG2 3.92Å; A268-L457 HydrophobicContact CB-CB 4.05Å; A268-L457 HydrophobicContact CB-CD2 4.3Å; A268-L458 HydrophobicContact CB-CD2 3.95Å |
| 269 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | F239 E240 V243 L265 L271 K272 L273 F452 L457 | F239-V269 HydrophobicContact CD1-CG2 4.12Å; F239-V269 HydrophobicContact CE1-CB 4.33Å; F239-V269 HydrophobicContact CE1-CG2 4.04Å; E240-V269 HydrophobicContact CB-CG1 4.48Å; E240-V269 HydrophobicContact CG-CG1 3.96Å; V243-V269 HydrophobicContact CB-CG1 3.9Å; V243-V269 HydrophobicContact CG1-CG1 4.15Å; V243-V269 HydrophobicContact CG2-CB 4.45Å; V243-V269 HydrophobicContact CG2-CG1 3.83Å; L265-V269 WeakPolarHBondContact O-CB 3.46Å; L265-V269 VanDerWaalsContact O-CG2 3.3Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 3.12Å; V269-L271 PolarHBondContact O-N 3.16Å; V269-K272 WeakPolarHBondContact O-CB 3.35Å; V269-K272 PolarHBondContact O-N 3.01Å; V269-L273 HydrophobicContact CG1-CD1 3.57Å; V269-L273 HydrophobicContact CG1-CG 4.14Å; V269-L273 WeakPolarHBondContact O-CB 3.16Å; V269-L273 WeakPolarHBondContact O-CG 3.39Å; V269-L273 PolarHBondContact O-N 2.85Å; V269-F452 HydrophobicContact CG2-CE1 4.44Å; V269-L457 HydrophobicContact CG2-CD1 3.85Å |
| 270 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 176.8 | 177.2 | 61.3 | 0 | 0 | 0 | 111.5 | V243 L247 I253 C255 V266 K272 L273 M274 L283 F362 | V243-L270 HydrophobicContact CG1-CB 4.06Å; V243-L270 HydrophobicContact CG1-CD1 4.01Å; L247-L270 HydrophobicContact CD2-CD1 3.49Å; L247-L270 VanDerWaalsContact CD2-CD1 3.49Å; I253-L270 HydrophobicContact CG2-CD1 4.19Å; I253-L270 HydrophobicContact CG2-CD2 3.91Å; C255-L270 HydrophobicContact CB-CD2 3.93Å; V266-L270 WeakPolarHBondContact O-CB 3.23Å; V266-L270 PolarHBondContact O-N 3.41Å; L270-K272 PolarHBondContact O-N 2.72Å; L270-L273 PolarHBondContact O-N 3.24Å; L270-M274 HydrophobicContact CD1-CG 4.11Å; L270-M274 HydrophobicContact CD1-SD 4.13Å; L270-M274 HydrophobicContact CG-CG 4.38Å; L270-M274 HydrophobicContact CG-SD 3.92Å; L270-M274 WeakPolarHBondContact O-CB 3.38Å; L270-M274 VanDerWaalsContact O-CG 3.25Å; L270-M274 WeakPolarHBondContact O-CG 3.43Å; L270-M274 PolarHBondContact O-N 2.82Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.09Å; L270-L283 HydrophobicContact CG-CD1 4.31Å; L270-L283 HydrophobicContact CG-CD2 4.22Å; L270-F362 HydrophobicContact CD1-CD1 4.36Å; L270-F362 HydrophobicContact CD1-CD2 4.26Å; L270-F362 HydrophobicContact CD1-CE1 4.05Å; L270-F362 HydrophobicContact CD1-CE2 3.96Å; L270-F362 HydrophobicContact CD1-CG 4.43Å; L270-F362 HydrophobicContact CD1-CZ 3.81Å; L270-F362 HydrophobicContact CD2-CB 3.95Å; L270-F362 HydrophobicContact CD2-CD1 4.3Å; L270-F362 HydrophobicContact CD2-CD2 3.86Å; L270-F362 HydrophobicContact CD2-CE2 4.38Å; L270-F362 HydrophobicContact CD2-CG 3.79Å |
| 271 | L | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.3 | -174.7 | 61.8 | 0 | 0 | 0 | 112.4 | A267 A268 V269 L273 M274 K275 L283 I306 | A267-L271 WeakPolarHBondContact O-CB 3.4Å; A267-L271 PolarHBondContact O-N 2.88Å; A268-L271 PolarHBondContact O-N 2.96Å; V269-L271 PolarHBondContact O-N 3.16Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L271-M274 PolarHBondContact O-N 3.44Å; L271-K275 WeakPolarHBondContact O-CG 3.25Å; L271-K275 PolarHBondContact O-N 2.73Å; L271-K275 VanDerWaalsContact O-N 3.14Å; L271-L283 HydrophobicContact CB-CD2 3.92Å; L271-L283 HydrophobicContact CD1-CB 3.81Å; L271-L283 HydrophobicContact CD1-CD2 4.37Å; L271-I306 HydrophobicContact CD2-CB 3.91Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.3Å |
| 272 | K | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.2 | -51.8 | 173 | 172.5 | -173.4 | 165.9 | -172.5 | 0 | 110.4 | E240 A268 V269 L270 K275 E276 L457 | E240-K272 IonicContact OE1-NZ 3.63Å; E240-K272 PolarHBondContact OE1-NZ 3.03Å; E240-K272 IonicContact OE2-NZ 2.87Å; E240-K272 PolarHBondContact OE2-NZ 3.1Å; A268-K272 PolarHBondContact O-N 2.74Å; A268-K272 VanDerWaalsContact O-N 3.07Å; V269-K272 WeakPolarHBondContact O-CB 3.35Å; V269-K272 PolarHBondContact O-N 3.01Å; L270-K272 PolarHBondContact O-N 2.72Å; K272-K275 WeakPolarHBondContact O-CB 3.34Å; K272-K275 PolarHBondContact O-N 3.18Å; K272-E276 WeakPolarHBondContact CE-OE1 2.94Å; K272-E276 PolarHBondContact O-N 3.33Å; K272-E276 VanDerWaalsContact O-N 3.11Å; K272-L457 HydrophobicContact CD-CD2 4.45Å |
| 273 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.6 | -32.1 | -175.8 | -63 | 173.6 | 0 | 0 | 0 | 113.1 | E240 V243 R244 L247 V269 L270 L271 K275 E276 A277 | E240-L273 VanDerWaalsContact O-CD1 3.31Å; E240-L273 WeakPolarHBondContact O-CD1 3.29Å; V243-L273 HydrophobicContact CB-CD1 3.59Å; V243-L273 HydrophobicContact CG1-CD1 3.6Å; R244-L273 HydrophobicContact CB-CD1 4.06Å; R244-L273 HydrophobicContact CB-CD2 4.49Å; L247-L273 HydrophobicContact CD1-CB 4.01Å; V269-L273 HydrophobicContact CG1-CD1 3.57Å; V269-L273 HydrophobicContact CG1-CG 4.14Å; V269-L273 WeakPolarHBondContact O-CB 3.16Å; V269-L273 WeakPolarHBondContact O-CG 3.39Å; V269-L273 PolarHBondContact O-N 2.85Å; L270-L273 PolarHBondContact O-N 3.24Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-E276 WeakPolarHBondContact CD2-OE2 3.44Å; L273-E276 PolarHBondContact O-N 2.95Å; L273-A277 VanDerWaalsContact O-CB 3.29Å; L273-A277 WeakPolarHBondContact O-CB 3.23Å; L273-A277 PolarHBondContact O-N 3.46Å |
| 274 | M | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 171.7 | -76.9 | 175.3 | 65.7 | 0 | 0 | 111.5 | L247 L270 L271 A277 N278 I279 Y281 L283 | L247-M274 HydrophobicContact CD2-CG 4.08Å; L270-M274 HydrophobicContact CD1-CG 4.11Å; L270-M274 HydrophobicContact CD1-SD 4.13Å; L270-M274 HydrophobicContact CG-CG 4.38Å; L270-M274 HydrophobicContact CG-SD 3.92Å; L270-M274 WeakPolarHBondContact O-CB 3.38Å; L270-M274 VanDerWaalsContact O-CG 3.25Å; L270-M274 WeakPolarHBondContact O-CG 3.43Å; L270-M274 PolarHBondContact O-N 2.82Å; L271-M274 PolarHBondContact O-N 3.44Å; M274-A277 CarbonylContact O-C 3.05Å; M274-A277 PolarHBondContact O-N 2.97Å; M274-N278 PolarHBondContact O-N 2.98Å; M274-I279 HydrophobicContact CB-CB 4.21Å; M274-I279 HydrophobicContact CB-CD1 4.42Å; M274-I279 HydrophobicContact CE-CB 4.38Å; M274-I279 HydrophobicContact CE-CG2 3.75Å; M274-I279 HydrophobicContact CG-CD1 4.06Å; M274-I279 PolarHBondContact O-N 3.47Å; M274-Y281 HydrophobicContact CE-CD2 3.98Å; M274-Y281 HydrophobicContact CE-CE2 3.42Å; M274-Y281 VanDerWaalsContact CE-CE2 3.42Å; M274-L283 HydrophobicContact CE-CB 4.12Å; M274-L283 HydrophobicContact CE-CD1 4.46Å; M274-L283 HydrophobicContact SD-CB 4.02Å; M274-L283 HydrophobicContact SD-CD1 3.81Å; M274-L283 HydrophobicContact SD-CD2 4.45Å; M274-L283 HydrophobicContact SD-CG 4.29Å |
| 275 | K | 97.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 39.7 Ų | 39.7 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.6 | -45.7 | 174.5 | -70.2 | 172.3 | -178.8 | 174.9 | 0 | 111.2 | L271 K272 L273 A277 N278 | L271-K275 WeakPolarHBondContact O-CG 3.25Å; L271-K275 PolarHBondContact O-N 2.73Å; L271-K275 VanDerWaalsContact O-N 3.14Å; K272-K275 WeakPolarHBondContact O-CB 3.34Å; K272-K275 PolarHBondContact O-N 3.18Å; L273-K275 VanDerWaalsContact C-N 3.32Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 2.9Å; K275-N278 PolarHBondContact O-N 3.2Å; K275-N278 VanDerWaalsContact O-N 3.1Å |
| 276 | E | 97.7 | Very high | 98.1 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61 | -35.4 | 175.6 | -68.9 | 174.3 | -164.4 | 0 | 0 | 112.7 | R244 K272 L273 N278 | R244-E276 IonicContact CZ-OE2 3.32Å; R244-E276 VanDerWaalsContact CZ-OE2 3.24Å; R244-E276 IonicContact NH1-OE2 2.74Å; R244-E276 PolarHBondContact NH1-OE2 2.68Å; R244-E276 IonicContact NH2-OE2 3.53Å; R244-E276 PolarHBondContact NH2-OE2 3.21Å; K272-E276 WeakPolarHBondContact CE-OE1 2.94Å; K272-E276 PolarHBondContact O-N 3.33Å; K272-E276 VanDerWaalsContact O-N 3.11Å; L273-E276 WeakPolarHBondContact CD2-OE2 3.44Å; L273-E276 PolarHBondContact O-N 2.95Å; E276-N278 VanDerWaalsContact C-N 3.25Å; E276-N278 PolarHBondContact O-N 3.4Å |
| 277 | A | 97.5 | Very high | 98 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 3.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L247 L273 M274 K275 I279 | L247-A277 HydrophobicContact CD1-CB 3.97Å; L273-A277 VanDerWaalsContact O-CB 3.29Å; L273-A277 WeakPolarHBondContact O-CB 3.23Å; L273-A277 PolarHBondContact O-N 3.46Å; M274-A277 CarbonylContact O-C 3.05Å; M274-A277 PolarHBondContact O-N 2.97Å; K275-A277 VanDerWaalsContact C-N 3.27Å; K275-A277 PolarHBondContact O-N 2.9Å; A277-I279 VanDerWaalsContact C-N 3.27Å; A277-I279 HydrophobicContact CB-CD1 4.14Å; A277-I279 HydrophobicContact CB-CG1 4.09Å; A277-I279 PolarHBondContact O-N 2.85Å |
| 278 | N | 97.1 | Very high | 97.9 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.9 | -176.2 | -57.8 | -67.3 | 0 | 0 | 0 | 113.7 | M274 K275 E276 N280 | M274-N278 PolarHBondContact O-N 2.98Å; K275-N278 PolarHBondContact O-N 3.2Å; K275-N278 VanDerWaalsContact O-N 3.1Å; E276-N278 VanDerWaalsContact C-N 3.25Å; E276-N278 PolarHBondContact O-N 3.4Å; N278-N280 PolarHBondContact O-N 2.77Å; N278-N280 PolarHBondContact O-ND2 3.33Å; N278-N280 PolarHBondContact O-OD1 2.95Å |
| 279 | I | 97.5 | Very high | 97.7 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | trans | -81.1 | 113.5 | 173.6 | -63.1 | 174.1 | 0 | 0 | 0 | 108.5 | M274 A277 Y281 | M274-I279 HydrophobicContact CB-CB 4.21Å; M274-I279 HydrophobicContact CB-CD1 4.42Å; M274-I279 HydrophobicContact CE-CB 4.38Å; M274-I279 HydrophobicContact CE-CG2 3.75Å; M274-I279 HydrophobicContact CG-CD1 4.06Å; M274-I279 PolarHBondContact O-N 3.47Å; A277-I279 VanDerWaalsContact C-N 3.27Å; A277-I279 HydrophobicContact CB-CD1 4.14Å; A277-I279 HydrophobicContact CB-CG1 4.09Å; A277-I279 PolarHBondContact O-N 2.85Å; I279-Y281 HydrophobicContact CG2-CD1 3.85Å; I279-Y281 HydrophobicContact CG2-CD2 4.24Å; I279-Y281 HydrophobicContact CG2-CE1 3.38Å; I279-Y281 HydrophobicContact CG2-CE2 3.81Å; I279-Y281 HydrophobicContact CG2-CG 4.24Å | ||
| 280 | N | 93.3 | Very high | 97.4 | Very high | 156 Ų | 156 | 40.7 Ų | 40.7 | 83% | 0.834 | 21% | 0.21 | S | C | * | . | trans | -94.3 | 4.2 | -162.8 | -64.8 | -37.8 | 0 | 0 | 0 | 115.9 | N278 | N278-N280 PolarHBondContact O-N 2.77Å; N278-N280 PolarHBondContact O-ND2 3.33Å; N278-N280 PolarHBondContact O-OD1 2.95Å | ||
| 281 | Y | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -96.2 | 148.8 | 170.5 | 57.3 | -105.7 | 0 | 0 | 0 | 110.4 | R252 I253 M274 I279 | R252-Y281 HydrophobicContact CG-CD1 4.33Å; R252-Y281 HydrophobicContact CG-CD2 3.7Å; R252-Y281 HydrophobicContact CG-CE1 4.19Å; R252-Y281 HydrophobicContact CG-CE2 3.55Å; R252-Y281 HydrophobicContact CG-CG 4.11Å; I253-Y281 HydrophobicContact CB-CE2 4.49Å; I253-Y281 WeakPolarHBondContact CB-OH 3.32Å; I253-Y281 WeakPolarHBondContact CG1-OH 3.46Å; I253-Y281 PolarHBondContact N-OH 3.09Å; M274-Y281 HydrophobicContact CE-CD2 3.98Å; M274-Y281 HydrophobicContact CE-CE2 3.42Å; M274-Y281 VanDerWaalsContact CE-CE2 3.42Å; I279-Y281 HydrophobicContact CG2-CD1 3.85Å; I279-Y281 HydrophobicContact CG2-CD2 4.24Å; I279-Y281 HydrophobicContact CG2-CE1 3.38Å; I279-Y281 HydrophobicContact CG2-CE2 3.81Å; I279-Y281 HydrophobicContact CG2-CG 4.24Å |
| 282 | P | 97.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 137.5 | 175.3 | 27.2 | -33.4 | 0 | 0 | 0 | 110.6 | R252 Q284 E309 | R252-P282 PolarHBondContact NH2-O 3.31Å; P282-Q284 PolarHBondContact O-N 3.37Å; P282-E309 HydrophobicContact CB-CB 4.1Å; P282-E309 HydrophobicContact CG-CB 4.44Å; P282-E309 VanDerWaalsContact CG-OE2 3.22Å; P282-E309 WeakPolarHBondContact CG-OE2 3.33Å |
| 283 | L | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 117.7 | 171.3 | 175.8 | 62.2 | 0 | 0 | 0 | 108.6 | I253 C255 L270 L271 M274 T285 S308 E309 | I253-L283 HydrophobicContact CG2-CD1 4.5Å; C255-L283 HydrophobicContact CB-CD1 4.26Å; L270-L283 HydrophobicContact CD2-CD1 3.7Å; L270-L283 HydrophobicContact CD2-CD2 4.09Å; L270-L283 HydrophobicContact CG-CD1 4.31Å; L270-L283 HydrophobicContact CG-CD2 4.22Å; L271-L283 HydrophobicContact CB-CD2 3.92Å; L271-L283 HydrophobicContact CD1-CB 3.81Å; L271-L283 HydrophobicContact CD1-CD2 4.37Å; M274-L283 HydrophobicContact CE-CB 4.12Å; M274-L283 HydrophobicContact CE-CD1 4.46Å; M274-L283 HydrophobicContact SD-CB 4.02Å; M274-L283 HydrophobicContact SD-CD1 3.81Å; M274-L283 HydrophobicContact SD-CD2 4.45Å; M274-L283 HydrophobicContact SD-CG 4.29Å; L283-T285 HydrophobicContact CD2-CG2 4.18Å; L283-T285 HydrophobicContact CG-CG2 4.16Å; L283-S308 WeakPolarHBondContact O-CB 3.5Å; L283-E309 PolarHBondContact O-N 3.27Å |
| 284 | Q | 98.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.7 | 170.8 | -70.8 | 174.6 | -31.4 | 0 | 0 | 109.4 | R252 G254 C255 P282 F286 E309 S358 | R252-Q284 VanDerWaalsContact CZ-CD 3.41Å; G254-Q284 CarbonylContact C-O 3.51Å; G254-Q284 VanDerWaalsContact CA-O 3.28Å; G254-Q284 WeakPolarHBondContact CA-O 3.26Å; C255-Q284 PolarHBondContact N-O 3.04Å; P282-Q284 PolarHBondContact O-N 3.37Å; Q284-F286 HydrophobicContact CB-CE1 4.37Å; Q284-F286 HydrophobicContact CB-CE2 3.74Å; Q284-F286 HydrophobicContact CB-CZ 3.52Å; Q284-F286 HydrophobicContact CG-CZ 4.46Å; Q284-E309 VanDerWaalsContact CA-O 3.28Å; Q284-E309 WeakPolarHBondContact CA-O 3.4Å; Q284-E309 HydrophobicContact CG-CB 4.2Å; Q284-E309 HydrophobicContact CG-CG 4.29Å; Q284-E309 WeakPolarHBondContact CG-OE1 3.15Å; Q284-E309 PolarHBondContact NE2-OE1 2.99Å; Q284-S358 PolarHBondContact OE1-OG 2.78Å |
| 285 | T | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.9 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | C255 L257 A267 L283 S308 E309 H310 H311 | C255-T285 HydrophobicContact CB-CG2 4.33Å; C255-T285 CarbonylContact O-C 3.58Å; C255-T285 VanDerWaalsContact O-CA 3.26Å; C255-T285 WeakPolarHBondContact O-CA 3.34Å; L257-T285 HydrophobicContact CB-CG2 4.41Å; L257-T285 HydrophobicContact CD2-CG2 4.12Å; A267-T285 HydrophobicContact CB-CG2 4.43Å; L283-T285 HydrophobicContact CD2-CG2 4.18Å; L283-T285 HydrophobicContact CG-CG2 4.16Å; T285-S308 WeakPolarHBondContact CG2-OG 3.37Å; T285-S308 WeakPolarHBondContact OG1-CB 3.49Å; T285-S308 PolarHBondContact OG1-OG 3.38Å; T285-E309 PolarHBondContact N-O 3.09Å; T285-H310 PolarHBondContact O-ND1 2.95Å; T285-H310 PolarHBondContact OG1-ND1 3.13Å; T285-H311 PolarHBondContact O-N 3.47Å |
| 286 | F | 98.8 | Very high | 95 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.6 | -172.5 | -54 | -85 | 0 | 0 | 0 | 110.8 | C255 L256 L257 Q284 H311 V348 Y351 I352 T356 I361 | C255-F286 PolarHBondContact O-N 2.59Å; L256-F286 HydrophobicContact CD2-CB 4.18Å; L257-F286 PolarHBondContact N-O 2.93Å; Q284-F286 HydrophobicContact CB-CE1 4.37Å; Q284-F286 HydrophobicContact CB-CE2 3.74Å; Q284-F286 HydrophobicContact CB-CZ 3.52Å; Q284-F286 HydrophobicContact CG-CZ 4.46Å; F286-H311 WeakPolarHBondContact CA-O 3.44Å; F286-H311 HydrophobicContact CD1-CB 3.56Å; F286-H311 AromaticContact CD1-CG 3.94Å; F286-H311 HydrophobicContact CE1-CB 3.92Å; F286-H311 AromaticContact CE1-CD2 3.78Å; F286-H311 AromaticContact CE1-CG 3.74Å; F286-V348 HydrophobicContact CB-CG2 3.86Å; F286-Y351 HydrophobicContact CD1-CD1 4.5Å; F286-I352 HydrophobicContact CB-CD1 4.11Å; F286-I352 HydrophobicContact CB-CG1 4.3Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.54Å; F286-I352 HydrophobicContact CD2-CD1 3.73Å; F286-I352 HydrophobicContact CD2-CG1 3.81Å; F286-I352 HydrophobicContact CE1-CG1 3.71Å; F286-I352 HydrophobicContact CE2-CD1 4.19Å; F286-I352 HydrophobicContact CE2-CG1 3.95Å; F286-I352 HydrophobicContact CE2-CG2 4.42Å; F286-I352 HydrophobicContact CG-CD1 3.75Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 3.9Å; F286-I352 HydrophobicContact CZ-CG2 4.27Å; F286-T356 HydrophobicContact CE1-CG2 3.71Å; F286-T356 HydrophobicContact CZ-CG2 3.9Å; F286-I361 HydrophobicContact CE2-CD1 4.4Å |
| 287 | A | 98.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | L257 I296 A299 H311 V313 | L257-A287 WeakPolarHBondContact O-CA 3.38Å; L257-A287 WeakPolarHBondContact O-CB 3.44Å; A287-I296 HydrophobicContact CB-CD1 3.82Å; A287-A299 HydrophobicContact CB-CB 3.57Å; A287-H311 PolarHBondContact N-O 2.98Å; A287-V313 WeakPolarHBondContact O-CB 3.47Å; A287-V313 PolarHBondContact O-N 3.45Å |
| 288 | I | 97.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142 | 170.4 | -176.4 | 159.6 | 0 | 0 | 0 | 110 | V313 F315 G344 L347 V348 F470 I474 | I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.41Å; I288-V313 HydrophobicContact CB-CB 4.15Å; I288-V313 HydrophobicContact CD1-CB 4.37Å; I288-V313 HydrophobicContact CD1-CG1 3.95Å; I288-V313 HydrophobicContact CG1-CB 4.18Å; I288-V313 HydrophobicContact CG1-CG1 4.24Å; I288-V313 WeakPolarHBondContact CG1-O 3.43Å; I288-F315 HydrophobicContact CD1-CB 4.43Å; I288-F315 HydrophobicContact CD1-CD1 4.13Å; I288-F315 HydrophobicContact CG1-CD1 3.82Å; I288-F315 HydrophobicContact CG1-CE1 4.46Å; I288-G344 WeakPolarHBondContact CD1-O 3.19Å; I288-L347 HydrophobicContact CD1-CB 3.61Å; I288-V348 HydrophobicContact CB-CB 3.88Å; I288-V348 HydrophobicContact CB-CG2 4.14Å; I288-V348 HydrophobicContact CD1-CB 4.02Å; I288-V348 HydrophobicContact CG2-CB 3.85Å; I288-V348 HydrophobicContact CG2-CG1 4.16Å; I288-V348 HydrophobicContact CG2-CG2 4.36Å; I288-F470 HydrophobicContact CG2-CE2 4.47Å; I288-F470 HydrophobicContact CG2-CZ 3.86Å; I288-I474 VanDerWaalsContact O-CG2 3.26Å; I288-I474 WeakPolarHBondContact O-CG2 3.31Å |
| 289 | G | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V313 I314 F315 | G289-V313 PolarHBondContact N-O 3.42Å; G289-V313 VanDerWaalsContact N-O 3.1Å; G289-I314 WeakPolarHBondContact O-CA 3.2Å; G289-F315 PolarHBondContact O-N 2.94Å |
| 290 | M | 91.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -67.9 | 161.5 | 163 | -66 | -179.2 | 174.6 | 0 | 0 | 109.7 | N292 S293 F315 I474 W481 I484 | M290-N292 PolarHBondContact O-N 3.34Å; M290-S293 WeakPolarHBondContact O-CB 3.45Å; M290-S293 PolarHBondContact O-N 3.29Å; M290-S293 PolarHBondContact O-OG 2.87Å; M290-F315 HydrophobicContact CE-CE2 3.96Å; M290-F315 HydrophobicContact CE-CZ 3.96Å; M290-F315 HydrophobicContact CG-CE1 4.08Å; M290-F315 HydrophobicContact CG-CZ 4.05Å; M290-I474 WeakPolarHBondContact CB-O 3.14Å; M290-I474 WeakPolarHBondContact CG-O 3.48Å; M290-I474 PolarHBondContact N-O 3.42Å; M290-W481 HydrophobicContact CE-CB 4.2Å; M290-W481 HydrophobicContact CE-CD2 4.43Å; M290-W481 HydrophobicContact CE-CE3 3.73Å; M290-I484 HydrophobicContact CE-CD1 3.65Å; M290-I484 HydrophobicContact SD-CD1 4.05Å |
| 291 | E | 88.2 | Confident | 95.1 | Very high | 138 Ų | 138 | 33.6 Ų | 33.6 | 65% | 0.645 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 131 | -178.7 | -164 | -175.1 | 175.7 | 0 | 0 | 111.7 | S293 I314 | E291-S293 PolarHBondContact O-N 2.93Å; E291-I314 HydrophobicContact CB-CG2 4.17Å |
| 292 | N | 86.6 | Confident | 95.1 | Very high | 83 Ų | 83 | 30.4 Ų | 30.4 | 44% | 0.444 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 26.2 | -177.7 | -58.5 | -52.9 | 0 | 0 | 0 | 115 | M290 | M290-N292 PolarHBondContact O-N 3.34Š|
| 293 | S | 90.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -63.5 | 152.2 | 173.9 | 56 | 0 | 0 | 0 | 0 | 112.7 | M290 E291 D295 I296 L297 G473 T475 | M290-S293 WeakPolarHBondContact O-CB 3.45Å; M290-S293 PolarHBondContact O-N 3.29Å; M290-S293 PolarHBondContact O-OG 2.87Å; E291-S293 PolarHBondContact O-N 2.93Å; S293-D295 PolarHBondContact O-N 2.8Å; S293-I296 PolarHBondContact O-N 3.2Å; S293-I296 WeakPolarHBondContact OG-CG1 3.3Å; S293-L297 PolarHBondContact O-N 3.49Å; S293-L297 VanDerWaalsContact O-N 3.15Å; S293-G473 WeakPolarHBondContact CB-O 3.41Å; S293-T475 VanDerWaalsContact CA-O 3.23Å; S293-T475 WeakPolarHBondContact CA-O 3.19Å; S293-T475 WeakPolarHBondContact CB-O 3.28Å | ||
| 294 | P | 89.3 | Confident | 95.1 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 26% | 0.26 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -54.2 | -37.8 | 179.5 | -27.3 | 34.4 | 0 | 0 | 0 | 114.2 | A298 G473 T475 | P294-A298 WeakPolarHBondContact O-CB 3.25Å; P294-A298 PolarHBondContact O-N 3.36Å; P294-A298 VanDerWaalsContact O-N 3.08Å; P294-G473 WeakPolarHBondContact CD-O 3.37Å; P294-T475 HydrophobicContact CG-CG2 4.33Å |
| 295 | D | 90.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.4 | -42.1 | 178.6 | -81.7 | 4.1 | 0 | 0 | 0 | 111.8 | S258 S293 L297 A298 A299 G473 | S258-D295 CarbonylContact O-C 3.4Å; S258-D295 VanDerWaalsContact O-CA 3.32Å; S258-D295 WeakPolarHBondContact O-CA 3.45Å; S258-D295 WeakPolarHBondContact O-CB 3.38Å; S258-D295 VanDerWaalsContact O-O 3.06Å; S293-D295 PolarHBondContact O-N 2.8Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.32Å; D295-A298 PolarHBondContact O-N 3.24Å; D295-A299 WeakPolarHBondContact O-CB 3.23Å; D295-A299 PolarHBondContact O-N 3.47Å; D295-G473 WeakPolarHBondContact CB-O 3.38Å; D295-G473 PolarHBondContact N-O 3.39Å |
| 296 | I | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 176.3 | -70.6 | -71.1 | 0 | 0 | 0 | 110.7 | A287 S293 R300 E312 I314 | A287-I296 HydrophobicContact CB-CD1 3.82Å; S293-I296 PolarHBondContact O-N 3.2Å; S293-I296 WeakPolarHBondContact OG-CG1 3.3Å; I296-R300 WeakPolarHBondContact O-CB 3.4Å; I296-R300 PolarHBondContact O-N 3.11Å; I296-E312 HydrophobicContact CD1-CB 4.15Å; I296-E312 HydrophobicContact CD1-CG 4.3Å; I296-E312 HydrophobicContact CG2-CG 4.23Å; I296-E312 WeakPolarHBondContact CG2-OE2 3.46Å; I296-I314 HydrophobicContact CD1-CD1 4.09Å; I296-I314 HydrophobicContact CG1-CD1 4.22Å |
| 297 | L | 94.9 | Very high | 95 | Very high | 73 Ų | 73 | 39.6 Ų | 39.6 | 38% | 0.382 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.9 | -64.2 | 178 | 0 | 0 | 0 | 112.2 | S293 D295 K301 | S293-L297 PolarHBondContact O-N 3.49Å; S293-L297 VanDerWaalsContact O-N 3.15Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.32Å; L297-K301 WeakPolarHBondContact O-CG 3.47Å; L297-K301 PolarHBondContact O-N 3.26Å |
| 298 | A | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -46.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P294 D295 R300 K301 V302 I462 | P294-A298 WeakPolarHBondContact O-CB 3.25Å; P294-A298 PolarHBondContact O-N 3.36Å; P294-A298 VanDerWaalsContact O-N 3.08Å; D295-A298 PolarHBondContact O-N 3.24Å; A298-R300 VanDerWaalsContact C-N 3.32Å; A298-R300 PolarHBondContact O-N 3.12Å; A298-K301 WeakPolarHBondContact O-CB 3.5Å; A298-K301 PolarHBondContact O-N 2.99Å; A298-K301 VanDerWaalsContact O-N 3.17Å; A298-V302 PolarHBondContact O-N 2.74Å; A298-V302 VanDerWaalsContact O-N 3.13Å; A298-I462 HydrophobicContact CB-CD1 4.17Å |
| 299 | A | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L257 A287 D295 K301 V302 A303 | L257-A299 HydrophobicContact CD2-CB 4.5Å; L257-A299 HydrophobicContact CG-CB 4.07Å; L257-A299 WeakPolarHBondContact O-CB 3.24Å; A287-A299 HydrophobicContact CB-CB 3.57Å; D295-A299 WeakPolarHBondContact O-CB 3.23Å; D295-A299 PolarHBondContact O-N 3.47Å; A299-K301 VanDerWaalsContact C-N 3.31Å; A299-K301 PolarHBondContact O-N 3.14Å; A299-V302 PolarHBondContact O-N 2.83Å; A299-A303 VanDerWaalsContact O-CB 3.29Å; A299-A303 WeakPolarHBondContact O-CB 3.36Å; A299-A303 PolarHBondContact O-N 3.16Å |
| 300 | R | 97.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.8 | -43 | 175.7 | -170.6 | -174.8 | -62.4 | 140.3 | 4.5 | 112.6 | I296 A298 A303 T304 E312 | I296-R300 WeakPolarHBondContact O-CB 3.4Å; I296-R300 PolarHBondContact O-N 3.11Å; A298-R300 VanDerWaalsContact C-N 3.32Å; A298-R300 PolarHBondContact O-N 3.12Å; R300-A303 PolarHBondContact O-N 2.67Å; R300-T304 WeakPolarHBondContact O-CB 3.46Å; R300-T304 PolarHBondContact O-N 2.73Å; R300-T304 PolarHBondContact O-OG1 3.48Å; R300-E312 IonicContact CZ-OE1 3.5Å; R300-E312 VanDerWaalsContact CZ-OE1 3.31Å; R300-E312 IonicContact CZ-OE2 3.78Å; R300-E312 IonicContact NE-OE1 2.8Å; R300-E312 PolarHBondContact NE-OE1 3.17Å; R300-E312 IonicContact NE-OE2 3.01Å; R300-E312 VanDerWaalsContact NH2-CD 3.29Å; R300-E312 IonicContact NH2-OE1 2.9Å; R300-E312 PolarHBondContact NH2-OE1 2.88Å; R300-E312 VanDerWaalsContact NH2-OE1 3.14Å; R300-E312 IonicContact NH2-OE2 2.76Å; R300-E312 PolarHBondContact NH2-OE2 2.92Å |
| 301 | K | 98.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.8 | -71.3 | 175.1 | 169.1 | -163.6 | 0 | 111.5 | L297 A298 A299 T304 H305 E461 | L297-K301 WeakPolarHBondContact O-CG 3.47Å; L297-K301 PolarHBondContact O-N 3.26Å; A298-K301 WeakPolarHBondContact O-CB 3.5Å; A298-K301 PolarHBondContact O-N 2.99Å; A298-K301 VanDerWaalsContact O-N 3.17Å; A299-K301 VanDerWaalsContact C-N 3.31Å; A299-K301 PolarHBondContact O-N 3.14Å; K301-T304 PolarHBondContact O-N 3.04Å; K301-H305 PolarHBondContact O-N 3.13Å; K301-E461 VanDerWaalsContact CD-OE1 3.25Å; K301-E461 WeakPolarHBondContact CD-OE1 3.45Å; K301-E461 WeakPolarHBondContact CE-OE1 3.43Å; K301-E461 IonicContact NZ-OE1 3.01Å; K301-E461 PolarHBondContact NZ-OE1 2.78Å |
| 302 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L257 S264 A298 A299 T304 H305 I306 L458 I462 | L257-V302 HydrophobicContact CD1-CB 4.13Å; L257-V302 HydrophobicContact CD1-CG1 3.78Å; L257-V302 HydrophobicContact CD2-CB 4.2Å; L257-V302 HydrophobicContact CD2-CG1 4.17Å; S264-V302 WeakPolarHBondContact OG-CG2 3.48Å; A298-V302 PolarHBondContact O-N 2.74Å; A298-V302 VanDerWaalsContact O-N 3.13Å; A299-V302 PolarHBondContact O-N 2.83Å; V302-T304 VanDerWaalsContact C-N 3.28Å; V302-T304 PolarHBondContact O-N 2.89Å; V302-H305 WeakPolarHBondContact O-CB 3.43Å; V302-H305 PolarHBondContact O-N 3.09Å; V302-H305 VanDerWaalsContact O-N 3.11Å; V302-I306 HydrophobicContact CG1-CD1 4.48Å; V302-I306 HydrophobicContact CG1-CG2 4.35Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 3.2Å; V302-L458 HydrophobicContact CG1-CD2 3.95Å; V302-I462 HydrophobicContact CG2-CB 4.22Å; V302-I462 HydrophobicContact CG2-CD1 4.1Å; V302-I462 HydrophobicContact CG2-CG1 3.74Å; V302-I462 HydrophobicContact CG2-CG2 3.71Å |
| 303 | A | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 A299 R300 G307 S308 H310 | L257-A303 HydrophobicContact CD2-CB 3.97Å; A299-A303 VanDerWaalsContact O-CB 3.29Å; A299-A303 WeakPolarHBondContact O-CB 3.36Å; A299-A303 PolarHBondContact O-N 3.16Å; R300-A303 PolarHBondContact O-N 2.67Å; A303-G307 WeakPolarHBondContact O-CA 3.39Å; A303-G307 PolarHBondContact O-N 2.94Å; A303-S308 WeakPolarHBondContact CA-OG 3.34Å; A303-S308 WeakPolarHBondContact CB-OG 3.49Å; A303-S308 PolarHBondContact O-N 3.45Å; A303-S308 VanDerWaalsContact O-N 3.16Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.43Å |
| 304 | T | 98.4 | Very high | 97 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 68% | 0.675 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -43.4 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | R300 K301 V302 | R300-T304 WeakPolarHBondContact O-CB 3.46Å; R300-T304 PolarHBondContact O-N 2.73Å; R300-T304 PolarHBondContact O-OG1 3.48Å; K301-T304 PolarHBondContact O-N 3.04Å; V302-T304 VanDerWaalsContact C-N 3.28Å; V302-T304 PolarHBondContact O-N 2.89Å |
| 305 | H | 98.4 | Very high | 97.2 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.9 | -176.8 | 89.8 | 0 | 0 | 0 | 112.4 | K301 V302 N456 L457 P459 | K301-H305 PolarHBondContact O-N 3.13Å; V302-H305 WeakPolarHBondContact O-CB 3.43Å; V302-H305 PolarHBondContact O-N 3.09Å; V302-H305 VanDerWaalsContact O-N 3.11Å; H305-N456 PolarHBondContact NE2-O 2.89Å; H305-L457 PolarHBondContact CD2-O 3.07Å; H305-P459 HydrophobicContact CB-CG 3.79Å |
| 306 | I | 97.9 | Very high | 97.2 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -82.5 | -24 | -177.5 | 72.6 | -179.6 | 0 | 0 | 0 | 112.4 | A267 A268 L271 V302 | A267-I306 HydrophobicContact CB-CD1 3.94Å; A268-I306 HydrophobicContact CB-CG2 3.92Å; L271-I306 HydrophobicContact CD2-CB 3.91Å; L271-I306 HydrophobicContact CD2-CD1 4.48Å; L271-I306 HydrophobicContact CD2-CG1 4.08Å; L271-I306 WeakPolarHBondContact CD2-O 3.3Å; V302-I306 HydrophobicContact CG1-CD1 4.48Å; V302-I306 HydrophobicContact CG1-CG2 4.35Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 3.2Å |
| 307 | G | 97.9 | Very high | 97 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 62% | 0.619 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 41.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A303 | A303-G307 WeakPolarHBondContact O-CA 3.39Å; A303-G307 PolarHBondContact O-N 2.94Å |
| 308 | S | 98.5 | Very high | 97 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 27% | 0.268 | C | S | . | . | trans | -83.8 | 155.3 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | L283 T285 A303 H310 | L283-S308 WeakPolarHBondContact O-CB 3.5Å; T285-S308 WeakPolarHBondContact CG2-OG 3.37Å; T285-S308 WeakPolarHBondContact OG1-CB 3.49Å; T285-S308 PolarHBondContact OG1-OG 3.38Å; A303-S308 WeakPolarHBondContact CA-OG 3.34Å; A303-S308 WeakPolarHBondContact CB-OG 3.49Å; A303-S308 PolarHBondContact O-N 3.45Å; A303-S308 VanDerWaalsContact O-N 3.16Å; S308-H310 PolarHBondContact O-N 3.31Å | ||
| 309 | E | 98.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 95.2 | 166.9 | -173.6 | -165.2 | 129.2 | 0 | 0 | 108.7 | R252 P282 L283 Q284 T285 H311 | R252-E309 IonicContact NH2-OE2 2.88Å; R252-E309 PolarHBondContact NH2-OE2 3.13Å; P282-E309 HydrophobicContact CB-CB 4.1Å; P282-E309 HydrophobicContact CG-CB 4.44Å; P282-E309 VanDerWaalsContact CG-OE2 3.22Å; P282-E309 WeakPolarHBondContact CG-OE2 3.33Å; L283-E309 PolarHBondContact O-N 3.27Å; Q284-E309 VanDerWaalsContact CA-O 3.28Å; Q284-E309 WeakPolarHBondContact CA-O 3.4Å; Q284-E309 HydrophobicContact CG-CB 4.2Å; Q284-E309 HydrophobicContact CG-CG 4.29Å; Q284-E309 WeakPolarHBondContact CG-OE1 3.15Å; Q284-E309 PolarHBondContact NE2-OE1 2.99Å; T285-E309 PolarHBondContact N-O 3.09Å; E309-H311 PolarHBondContact O-CD2 3.06Å; E309-H311 IonicContact OE1-CE1 3.87Å; E309-H311 IonicContact OE1-NE2 3.88Å; E309-H311 PolarHBondContact OE1-NE2 2.96Å |
| 310 | H | 98.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 135.3 | -169.3 | -162.3 | 45.6 | 0 | 0 | 0 | 113.4 | T285 A303 S308 E312 | T285-H310 PolarHBondContact O-ND1 2.95Å; T285-H310 PolarHBondContact OG1-ND1 3.13Å; A303-H310 HydrophobicContact CB-CB 3.65Å; A303-H310 VanDerWaalsContact CB-CG 3.43Å; S308-H310 PolarHBondContact O-N 3.31Å; H310-E312 IonicContact CD2-OE1 2.72Å |
| 311 | H | 98.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.3 | 176.2 | -66.3 | -102.5 | 0 | 0 | 0 | 109.2 | T285 F286 A287 E309 Y351 | T285-H311 PolarHBondContact O-N 3.47Å; F286-H311 WeakPolarHBondContact CA-O 3.44Å; F286-H311 HydrophobicContact CD1-CB 3.56Å; F286-H311 AromaticContact CD1-CG 3.94Å; F286-H311 HydrophobicContact CE1-CB 3.92Å; F286-H311 AromaticContact CE1-CD2 3.78Å; F286-H311 AromaticContact CE1-CG 3.74Å; A287-H311 PolarHBondContact N-O 2.98Å; E309-H311 PolarHBondContact O-CD2 3.06Å; E309-H311 IonicContact OE1-CE1 3.87Å; E309-H311 IonicContact OE1-NE2 3.88Å; E309-H311 PolarHBondContact OE1-NE2 2.96Å; H311-Y351 HydrophobicContact CB-CE1 4.22Å; H311-Y351 AromaticContact ND1-CE1 3.87Å |
| 312 | E | 98.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.7 | 172.3 | -68.5 | 177.6 | -164.5 | 0 | 0 | 109.4 | I296 R300 H310 | I296-E312 HydrophobicContact CD1-CB 4.15Å; I296-E312 HydrophobicContact CD1-CG 4.3Å; I296-E312 HydrophobicContact CG2-CG 4.23Å; I296-E312 WeakPolarHBondContact CG2-OE2 3.46Å; R300-E312 IonicContact CZ-OE1 3.5Å; R300-E312 VanDerWaalsContact CZ-OE1 3.31Å; R300-E312 IonicContact CZ-OE2 3.78Å; R300-E312 IonicContact NE-OE1 2.8Å; R300-E312 PolarHBondContact NE-OE1 3.17Å; R300-E312 IonicContact NE-OE2 3.01Å; R300-E312 VanDerWaalsContact NH2-CD 3.29Å; R300-E312 IonicContact NH2-OE1 2.9Å; R300-E312 PolarHBondContact NH2-OE1 2.88Å; R300-E312 VanDerWaalsContact NH2-OE1 3.14Å; R300-E312 IonicContact NH2-OE2 2.76Å; R300-E312 PolarHBondContact NH2-OE2 2.92Å; H310-E312 IonicContact CD2-OE1 2.72Å |
| 313 | V | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.9 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | A287 I288 G289 V348 Y351 | A287-V313 WeakPolarHBondContact O-CB 3.47Å; A287-V313 PolarHBondContact O-N 3.45Å; I288-V313 VanDerWaalsContact CA-O 3.28Å; I288-V313 WeakPolarHBondContact CA-O 3.41Å; I288-V313 HydrophobicContact CB-CB 4.15Å; I288-V313 HydrophobicContact CD1-CB 4.37Å; I288-V313 HydrophobicContact CD1-CG1 3.95Å; I288-V313 HydrophobicContact CG1-CB 4.18Å; I288-V313 HydrophobicContact CG1-CG1 4.24Å; I288-V313 WeakPolarHBondContact CG1-O 3.43Å; G289-V313 PolarHBondContact N-O 3.42Å; G289-V313 VanDerWaalsContact N-O 3.1Å; V313-V348 HydrophobicContact CG2-CG2 4.07Å; V313-Y351 HydrophobicContact CG1-CD2 3.96Å; V313-Y351 HydrophobicContact CG1-CG 4.11Å; V313-Y351 HydrophobicContact CG2-CD1 3.61Å; V313-Y351 HydrophobicContact CG2-CD2 3.86Å; V313-Y351 HydrophobicContact CG2-CE1 3.99Å; V313-Y351 HydrophobicContact CG2-CE2 4.17Å; V313-Y351 HydrophobicContact CG2-CG 3.56Å |
| 314 | I | 96.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 42% | 0.415 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.3 | 176.7 | -52.7 | -54.6 | 0 | 0 | 0 | 109 | G289 E291 I296 | G289-I314 WeakPolarHBondContact O-CA 3.2Å; E291-I314 HydrophobicContact CB-CG2 4.17Å; I296-I314 HydrophobicContact CD1-CD1 4.09Å; I296-I314 HydrophobicContact CG1-CD1 4.22Å |
| 315 | F | 93.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | trans | -110.8 | 151.2 | 171.8 | 82.1 | -77.2 | 0 | 0 | 0 | 110.3 | I288 G289 M290 L347 I474 W481 | I288-F315 HydrophobicContact CD1-CB 4.43Å; I288-F315 HydrophobicContact CD1-CD1 4.13Å; I288-F315 HydrophobicContact CG1-CD1 3.82Å; I288-F315 HydrophobicContact CG1-CE1 4.46Å; G289-F315 PolarHBondContact O-N 2.94Å; M290-F315 HydrophobicContact CE-CE2 3.96Å; M290-F315 HydrophobicContact CE-CZ 3.96Å; M290-F315 HydrophobicContact CG-CE1 4.08Å; M290-F315 HydrophobicContact CG-CZ 4.05Å; F315-L347 HydrophobicContact CB-CD1 3.89Å; F315-L347 HydrophobicContact CD2-CD1 3.94Å; F315-L347 HydrophobicContact CG-CD1 4.03Å; F315-I474 HydrophobicContact CE1-CB 4.25Å; F315-I474 HydrophobicContact CE1-CD1 4.09Å; F315-I474 HydrophobicContact CE1-CG1 4.47Å; F315-I474 HydrophobicContact CZ-CD1 3.93Å; F315-I474 HydrophobicContact CZ-CG1 4.47Å; F315-W481 HydrophobicContact CE2-CD2 4.48Å; F315-W481 HydrophobicContact CE2-CE3 4.29Å | ||
| 316 | N | 91.6 | Very high | 96.6 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | trans | -103 | 167.8 | 175.1 | 71.8 | 48.3 | 0 | 0 | 0 | 111.4 | E318 E319 G320 | N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.41Å; N316-E318 WeakPolarHBondContact OD1-CB 3.41Å; N316-E318 PolarHBondContact OD1-N 3.48Å; N316-E319 PolarHBondContact O-N 2.89Å; N316-E319 PolarHBondContact OD1-N 3.15Å; N316-G320 PolarHBondContact O-N 2.7Å | ||
| 317 | S | 91.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | -178 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | G320 I321 | S317-G320 PolarHBondContact O-N 3Å; S317-I321 VanDerWaalsContact O-CG1 3.3Å; S317-I321 WeakPolarHBondContact O-CG1 3.47Å; S317-I321 PolarHBondContact O-N 3.38Å |
| 318 | E | 93.7 | Very high | 96.7 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.5 | -45.4 | -179.1 | -176.3 | -177.8 | 172.8 | 0 | 0 | 110.8 | N316 G320 I321 Q322 | N316-E318 VanDerWaalsContact C-N 3.31Å; N316-E318 PolarHBondContact O-N 3.41Å; N316-E318 WeakPolarHBondContact OD1-CB 3.41Å; N316-E318 PolarHBondContact OD1-N 3.48Å; E318-G320 VanDerWaalsContact C-N 3.31Å; E318-G320 PolarHBondContact O-N 3.46Å; E318-I321 PolarHBondContact O-N 3.27Å; E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.37Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.38Å; E318-Q322 PolarHBondContact O-N 2.71Å; E318-Q322 PolarHBondContact OE1-NE2 3.49Å |
| 319 | E | 95.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.9 | -176.7 | 177.7 | -160.7 | 0 | 0 | 111.3 | N316 A323 L347 | N316-E319 PolarHBondContact O-N 2.89Å; N316-E319 PolarHBondContact OD1-N 3.15Å; E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 3.16Å; E319-A323 VanDerWaalsContact O-N 3.08Å; E319-L347 HydrophobicContact CG-CD1 4.03Å; E319-L347 HydrophobicContact CG-CD2 3.95Å |
| 320 | G | 94.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | N316 S317 E318 A323 W481 | N316-G320 PolarHBondContact O-N 2.7Å; S317-G320 PolarHBondContact O-N 3Å; E318-G320 VanDerWaalsContact C-N 3.31Å; E318-G320 PolarHBondContact O-N 3.46Å; G320-A323 PolarHBondContact O-N 2.83Å; G320-W481 VanDerWaalsContact C-CH2 3.42Å |
| 321 | I | 96.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 179.3 | -71 | 164.4 | 0 | 0 | 0 | 110.7 | S317 E318 A323 L324 W481 I484 Y488 | S317-I321 VanDerWaalsContact O-CG1 3.3Å; S317-I321 WeakPolarHBondContact O-CG1 3.47Å; S317-I321 PolarHBondContact O-N 3.38Å; E318-I321 PolarHBondContact O-N 3.27Å; I321-A323 PolarHBondContact O-N 2.85Å; I321-L324 HydrophobicContact CG2-CD1 4.5Å; I321-L324 WeakPolarHBondContact O-CB 3.09Å; I321-L324 WeakPolarHBondContact O-CG 2.98Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.11Å; I321-W481 HydrophobicContact CG1-CH2 4.12Å; I321-W481 HydrophobicContact CG1-CZ3 4.21Å; I321-I484 HydrophobicContact CD1-CG2 4.08Å; I321-Y488 HydrophobicContact CD1-CD2 4.2Å; I321-Y488 HydrophobicContact CD1-CG 3.95Å; I321-Y488 HydrophobicContact CG1-CD1 4.45Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 3.79Å; I321-Y488 HydrophobicContact CG2-CD2 4Å; I321-Y488 HydrophobicContact CG2-CE1 3.56Å; I321-Y488 HydrophobicContact CG2-CE2 3.8Å; I321-Y488 HydrophobicContact CG2-CG 4Å |
| 322 | Q | 96.9 | Very high | 96.7 | Very high | 129 Ų | 129 | 44.2 Ų | 44.2 | 60% | 0.603 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.1 | -29 | 178.5 | -74.2 | 173.9 | -0.8 | 0 | 0 | 112.4 | E318 L324 | E318-Q322 HydrophobicContact CG-CG 4.41Å; E318-Q322 WeakPolarHBondContact O-CB 3.37Å; E318-Q322 VanDerWaalsContact O-CG 3.29Å; E318-Q322 WeakPolarHBondContact O-CG 3.38Å; E318-Q322 PolarHBondContact O-N 2.71Å; E318-Q322 PolarHBondContact OE1-NE2 3.49Å; Q322-L324 VanDerWaalsContact C-N 3.33Å |
| 323 | A | 97.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E319 G320 I321 E325 E326 V327 V343 L347 | E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 3.16Å; E319-A323 VanDerWaalsContact O-N 3.08Å; G320-A323 PolarHBondContact O-N 2.83Å; I321-A323 PolarHBondContact O-N 2.85Å; A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 3.29Å; A323-E326 PolarHBondContact O-N 3.24Å; A323-V327 HydrophobicContact CB-CG2 4.26Å; A323-V327 VanDerWaalsContact O-CB 3.32Å; A323-V327 WeakPolarHBondContact O-CB 3.48Å; A323-V327 WeakPolarHBondContact O-CG2 3.5Å; A323-V327 PolarHBondContact O-N 2.82Å; A323-V343 HydrophobicContact CB-CG1 4.46Å; A323-L347 HydrophobicContact CB-CD2 4.24Å |
| 324 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.3 | -43.8 | -172.2 | -75.6 | 169.8 | 0 | 0 | 0 | 113.3 | I321 Q322 V327 I328 V339 V343 L485 Y517 Y518 | I321-L324 HydrophobicContact CG2-CD1 4.5Å; I321-L324 WeakPolarHBondContact O-CB 3.09Å; I321-L324 WeakPolarHBondContact O-CG 2.98Å; I321-L324 PolarHBondContact O-N 3.26Å; I321-L324 VanDerWaalsContact O-N 3.11Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; L324-V327 PolarHBondContact O-N 3.14Å; L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 3.34Å; L324-V339 HydrophobicContact CD2-CG1 4.01Å; L324-V343 HydrophobicContact CD2-CG2 3.77Å; L324-L485 HydrophobicContact CD1-CD2 3.79Å; L324-L485 HydrophobicContact CD2-CD2 4.23Å; L324-L485 HydrophobicContact CG-CD2 4.49Å; L324-Y517 HydrophobicContact CD1-CE1 4.13Å; L324-Y518 HydrophobicContact CD2-CE1 3.98Å |
| 325 | E | 98.3 | Very high | 96.7 | Very high | 77 Ų | 77 | 37 Ų | 37 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.9 | -49.8 | -179.5 | -175.4 | 170.1 | 157.3 | 0 | 0 | 111.6 | A323 V327 I328 F329 I521 K524 H525 | A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 3.29Å; E325-V327 VanDerWaalsContact C-N 3.27Å; E325-V327 PolarHBondContact O-N 3.36Å; E325-I328 PolarHBondContact O-N 2.82Å; E325-F329 WeakPolarHBondContact O-CB 3.29Å; E325-F329 PolarHBondContact O-N 2.89Å; E325-I521 HydrophobicContact CB-CG2 4.38Å; E325-I521 HydrophobicContact CG-CG2 4.11Å; E325-K524 IonicContact OE1-NZ 2.8Å; E325-K524 PolarHBondContact OE1-NZ 2.88Å; E325-K524 IonicContact OE2-NZ 3.69Å; E325-K524 PolarHBondContact OE2-NZ 3.41Å; E325-H525 VanDerWaalsContact CG-NE2 3.26Å; E325-H525 WeakPolarHBondContact CG-NE2 3.47Å; E325-H525 IonicContact OE1-CE1 2.74Å; E325-H525 PolarHBondContact OE1-CE1 2.9Å; E325-H525 IonicContact OE1-NE2 3.19Å; E325-H525 PolarHBondContact OE1-NE2 3.2Å |
| 326 | E | 98.4 | Very high | 96.8 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -35.3 | 177 | -69.1 | -174.6 | -167.6 | 0 | 0 | 112.3 | A323 S330 Y346 | A323-E326 PolarHBondContact O-N 3.24Å; E326-S330 WeakPolarHBondContact O-CB 3.31Å; E326-S330 PolarHBondContact O-N 3.08Å; E326-S330 PolarHBondContact O-OG 3.46Å; E326-Y346 HydrophobicContact CB-CE1 4.42Å; E326-Y346 PolarHBondContact OE2-OH 3.33Å |
| 327 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -50.5 | 177 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | A323 L324 E325 F329 S330 L331 V343 Y346 | A323-V327 HydrophobicContact CB-CG2 4.26Å; A323-V327 VanDerWaalsContact O-CB 3.32Å; A323-V327 WeakPolarHBondContact O-CB 3.48Å; A323-V327 WeakPolarHBondContact O-CG2 3.5Å; A323-V327 PolarHBondContact O-N 2.82Å; L324-V327 PolarHBondContact O-N 3.14Å; E325-V327 VanDerWaalsContact C-N 3.27Å; E325-V327 PolarHBondContact O-N 3.36Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 2.96Å; V327-S330 PolarHBondContact O-N 3.37Å; V327-S330 VanDerWaalsContact O-N 3.09Å; V327-L331 HydrophobicContact CG1-CD1 3.61Å; V327-L331 HydrophobicContact CG1-CG 4.15Å; V327-L331 WeakPolarHBondContact O-CB 3.4Å; V327-L331 WeakPolarHBondContact O-CG 3.44Å; V327-L331 PolarHBondContact O-N 2.87Å; V327-V343 HydrophobicContact CG1-CG2 4.38Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V327-Y346 HydrophobicContact CG2-CD1 3.94Å; V327-Y346 HydrophobicContact CG2-CD2 4.2Å; V327-Y346 HydrophobicContact CG2-CG 3.72Å |
| 328 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.8 | -70 | 166.6 | 0 | 0 | 0 | 110.9 | L324 E325 S330 L331 E332 V339 Y518 I521 F522 | L324-I328 WeakPolarHBondContact O-CG1 3.12Å; L324-I328 PolarHBondContact O-N 3.34Å; E325-I328 PolarHBondContact O-N 2.82Å; I328-S330 VanDerWaalsContact C-N 3.35Å; I328-S330 PolarHBondContact O-N 3.37Å; I328-L331 PolarHBondContact O-N 3.09Å; I328-E332 PolarHBondContact O-N 2.76Å; I328-V339 HydrophobicContact CD1-CG1 4.15Å; I328-V339 HydrophobicContact CD1-CG2 4.42Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.84Å; I328-Y518 HydrophobicContact CD1-CD1 3.86Å; I328-Y518 HydrophobicContact CD1-CG 4.17Å; I328-I521 HydrophobicContact CB-CG2 3.81Å; I328-I521 HydrophobicContact CD1-CB 3.84Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.44Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.4Å; I328-I521 HydrophobicContact CG2-CB 4.33Å; I328-I521 HydrophobicContact CG2-CG2 3.75Å; I328-F522 HydrophobicContact CG2-CB 4.04Å |
| 329 | F | 98.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 26.4 Ų | 26.4 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 170.8 | 174.5 | -97.4 | 0 | 0 | 0 | 112 | K162 E325 V327 H525 Y526 | K162-F329 HydrophobicContact CD-CE1 4.03Å; K162-F329 HydrophobicContact CD-CZ 3.83Å; K162-F329 WeakPolarHBondContact CE-O 3.41Å; K162-F329 PolarHBondContact NZ-O 2.91Å; E325-F329 WeakPolarHBondContact O-CB 3.29Å; E325-F329 PolarHBondContact O-N 2.89Å; V327-F329 VanDerWaalsContact C-N 3.32Å; V327-F329 PolarHBondContact O-N 2.96Å; F329-H525 HydrophobicContact CD2-CB 4.23Å; F329-H525 AromaticContact CD2-CG 3.95Å; F329-H525 AromaticContact CD2-ND1 3.76Å; F329-Y526 VanDerWaalsContact CD2-OH 3.24Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.43Å; F329-Y526 WeakPolarHBondContact CE2-OH 3.46Å; F329-Y526 PolarHBondContact O-OH 2.84Å |
| 330 | S | 98.7 | Very high | 97 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | K162 E326 V327 I328 R407 | K162-S330 PolarHBondContact NZ-O 3.04Å; E326-S330 WeakPolarHBondContact O-CB 3.31Å; E326-S330 PolarHBondContact O-N 3.08Å; E326-S330 PolarHBondContact O-OG 3.46Å; V327-S330 PolarHBondContact O-N 3.37Å; V327-S330 VanDerWaalsContact O-N 3.09Å; I328-S330 VanDerWaalsContact C-N 3.35Å; I328-S330 PolarHBondContact O-N 3.37Å; S330-R407 WeakPolarHBondContact O-CB 3.18Å; S330-R407 WeakPolarHBondContact O-CD 3.36Å; S330-R407 WeakPolarHBondContact O-CG 3.16Å |
| 331 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.6 | -38.9 | -176.4 | -72 | 173.5 | 0 | 0 | 0 | 113.8 | V327 I328 T333 T338 V339 S342 L403 R404 R407 T408 | V327-L331 HydrophobicContact CG1-CD1 3.61Å; V327-L331 HydrophobicContact CG1-CG 4.15Å; V327-L331 WeakPolarHBondContact O-CB 3.4Å; V327-L331 WeakPolarHBondContact O-CG 3.44Å; V327-L331 PolarHBondContact O-N 2.87Å; I328-L331 PolarHBondContact O-N 3.09Å; L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4Å; L331-T338 HydrophobicContact CD1-CG2 4.34Å; L331-T338 HydrophobicContact CD2-CG2 4.24Å; L331-V339 HydrophobicContact CD1-CG2 4.02Å; L331-S342 WeakPolarHBondContact CD1-OG 3.44Å; L331-S342 VanDerWaalsContact CD2-OG 3.29Å; L331-S342 WeakPolarHBondContact CD2-OG 3.17Å; L331-L403 HydrophobicContact CB-CD2 4.03Å; L331-L403 HydrophobicContact CD2-CD2 3.52Å; L331-L403 HydrophobicContact CG-CD2 4.36Å; L331-L403 WeakPolarHBondContact O-CD2 3.39Å; L331-R404 HydrophobicContact CD2-CB 4.35Å; L331-R407 HydrophobicContact CD2-CB 4.18Å; L331-T408 HydrophobicContact CD2-CG2 4.21Å |
| 332 | E | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 22 Ų | 22 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 33.4 | -172.6 | -46.2 | 173.4 | 147.6 | 0 | 0 | 112.4 | E160 A161 K162 I328 R407 F522 Y526 W532 | E160-E332 WeakPolarHBondContact CB-OE1 3.49Å; A161-E332 VanDerWaalsContact N-CD 3.32Å; A161-E332 PolarHBondContact N-OE1 3.15Å; A161-E332 PolarHBondContact N-OE2 3.48Å; K162-E332 VanDerWaalsContact CB-OE1 3.23Å; K162-E332 WeakPolarHBondContact CB-OE1 3.37Å; K162-E332 WeakPolarHBondContact CE-OE1 3.32Å; K162-E332 VanDerWaalsContact CG-OE1 3.27Å; K162-E332 WeakPolarHBondContact CG-OE1 3.48Å; K162-E332 PolarHBondContact N-OE1 3.34Å; K162-E332 VanDerWaalsContact NZ-CD 3.27Å; K162-E332 IonicContact NZ-OE1 3.32Å; K162-E332 PolarHBondContact NZ-OE1 2.98Å; I328-E332 PolarHBondContact O-N 2.76Å; E332-R407 IonicContact OE2-NE 2.66Å; E332-F522 WeakPolarHBondContact O-CE2 3.03Å; E332-Y526 HydrophobicContact CB-CE2 4.19Å; E332-Y526 HydrophobicContact CG-CE2 4.02Å; E332-W532 HydrophobicContact CB-CE3 4.09Å; E332-W532 HydrophobicContact CB-CZ3 4Å |
| 333 | T | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | trans | -148.1 | 163.8 | 173.8 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | L331 D335 T338 L403 | L331-T333 VanDerWaalsContact C-N 3.28Å; L331-T333 HydrophobicContact CB-CG2 4Å; T333-D335 PolarHBondContact OG1-N 3.01Å; T333-T338 HydrophobicContact CG2-CG2 3.95Å; T333-L403 HydrophobicContact CG2-CD1 4.35Å; T333-L403 HydrophobicContact CG2-CD2 3.83Å | ||
| 334 | Y | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | trans | -120.7 | 15 | 178.6 | 55.1 | -87.9 | 0 | 0 | 0 | 112.5 | I336 N508 R519 F522 S530 L533 F536 | Y334-I336 PolarHBondContact O-N 3.46Å; Y334-N508 HydrophobicContact CE2-CB 4.18Å; Y334-N508 VanDerWaalsContact OH-CB 3.28Å; Y334-N508 WeakPolarHBondContact OH-CB 3.45Å; Y334-R519 HydrophobicContact CD2-CB 4.46Å; Y334-F522 HydrophobicContact CD1-CB 4.2Å; Y334-F522 AromaticContact CD1-CD1 3.65Å; Y334-F522 HydrophobicContact CD1-CD1 3.65Å; Y334-F522 AromaticContact CD1-CD2 3.93Å; Y334-F522 HydrophobicContact CD1-CD2 3.93Å; Y334-F522 AromaticContact CD1-CE1 3.99Å; Y334-F522 HydrophobicContact CD1-CE1 3.99Å; Y334-F522 HydrophobicContact CD1-CE2 4.22Å; Y334-F522 AromaticContact CD1-CG 3.63Å; Y334-F522 HydrophobicContact CD1-CG 3.63Å; Y334-F522 HydrophobicContact CD1-CZ 4.25Å; Y334-F522 HydrophobicContact CE1-CD1 4.18Å; Y334-F522 HydrophobicContact CE1-CE1 4.13Å; Y334-F522 HydrophobicContact CE1-CZ 4.43Å; Y334-F522 HydrophobicContact CG-CB 4.43Å; Y334-F522 HydrophobicContact CG-CG 4.34Å; Y334-S530 PolarHBondContact OH-O 3.25Å; Y334-S530 VanDerWaalsContact OH-O 3.08Å; Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 4.03Å; Y334-L533 HydrophobicContact CE1-CD2 4.27Å; Y334-L533 HydrophobicContact CE2-CD2 3.81Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; Y334-F536 AromaticContact CD2-CE1 3.77Å; Y334-F536 HydrophobicContact CD2-CE1 3.77Å; Y334-F536 AromaticContact CD2-CZ 3.66Å; Y334-F536 HydrophobicContact CD2-CZ 3.66Å; Y334-F536 HydrophobicContact CE2-CE1 4.01Å; Y334-F536 HydrophobicContact CE2-CE2 4.2Å; Y334-F536 AromaticContact CE2-CZ 3.57Å; Y334-F536 HydrophobicContact CE2-CZ 3.57Å | ||
| 335 | D | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -63.5 | 130.4 | 175.8 | 176.3 | 72.8 | 0 | 0 | 0 | 111.9 | T333 T337 T338 V339 F400 L533 F536 W537 | T333-D335 PolarHBondContact OG1-N 3.01Å; D335-T337 PolarHBondContact OD2-N 3.07Å; D335-T338 PolarHBondContact O-N 3.38Å; D335-T338 VanDerWaalsContact OD2-CB 3.29Å; D335-T338 WeakPolarHBondContact OD2-CB 3.47Å; D335-T338 PolarHBondContact OD2-N 2.81Å; D335-T338 PolarHBondContact OD2-OG1 2.87Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.27Å; D335-V339 WeakPolarHBondContact O-CG2 3.36Å; D335-V339 PolarHBondContact O-N 3.28Å; D335-F400 HydrophobicContact CB-CD1 4.47Å; D335-F400 HydrophobicContact CB-CE1 4.39Å; D335-L533 HydrophobicContact CB-CD1 4.41Å; D335-L533 HydrophobicContact CB-CD2 3.83Å; D335-F536 WeakPolarHBondContact OD1-CA 3.09Å; D335-W537 PolarHBondContact OD1-N 2.81Å | ||
| 336 | I | 93.9 | Very high | 97 | Very high | 9 Ų | 9 | 12.7 Ų | 12.7 | 5% | 0.046 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.7 | -52.4 | -173.8 | -64.6 | 161.3 | 0 | 0 | 0 | 111.5 | Y334 T338 V339 R340 E514 P547 | Y334-I336 PolarHBondContact O-N 3.46Å; I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.46Å; I336-R340 HydrophobicContact CG2-CG 4.33Å; I336-R340 WeakPolarHBondContact O-CB 3.29Å; I336-R340 VanDerWaalsContact O-CG 3.32Å; I336-R340 WeakPolarHBondContact O-CG 3.44Å; I336-R340 PolarHBondContact O-N 2.72Å; I336-E514 HydrophobicContact CG2-CG 4.46Å; I336-P547 HydrophobicContact CB-CG 3.99Å; I336-P547 HydrophobicContact CD1-CG 4.49Å; I336-P547 HydrophobicContact CG2-CG 4.09Å |
| 337 | T | 91.2 | Very high | 97 | Very high | 30 Ų | 30 | 8.5 Ų | 8.5 | 18% | 0.184 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | -176.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | D335 A341 W537 P547 | D335-T337 PolarHBondContact OD2-N 3.07Å; T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.46Å; T337-A341 VanDerWaalsContact O-N 3.15Å; T337-W537 HydrophobicContact CG2-CE3 4.31Å; T337-P547 WeakPolarHBondContact OG1-CB 3.43Å; T337-P547 WeakPolarHBondContact OG1-CG 3.24Å |
| 338 | T | 96 | Very high | 97 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 3% | 0.025 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | -179.5 | -54 | 0 | 0 | 0 | 0 | 110.6 | L331 T333 D335 I336 A341 S342 L403 R404 | L331-T338 HydrophobicContact CD1-CG2 4.34Å; L331-T338 HydrophobicContact CD2-CG2 4.24Å; T333-T338 HydrophobicContact CG2-CG2 3.95Å; D335-T338 PolarHBondContact O-N 3.38Å; D335-T338 VanDerWaalsContact OD2-CB 3.29Å; D335-T338 WeakPolarHBondContact OD2-CB 3.47Å; D335-T338 PolarHBondContact OD2-N 2.81Å; D335-T338 PolarHBondContact OD2-OG1 2.87Å; I336-T338 VanDerWaalsContact C-N 3.29Å; I336-T338 PolarHBondContact O-N 2.84Å; T338-A341 PolarHBondContact O-N 2.9Å; T338-S342 WeakPolarHBondContact O-CB 3.43Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 2.76Å; T338-L403 HydrophobicContact CG2-CD2 4.08Å; T338-R404 HydrophobicContact CG2-CB 4.02Å |
| 339 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L324 I328 L331 D335 I336 A341 S342 V343 Y518 | L324-V339 HydrophobicContact CD2-CG1 4.01Å; I328-V339 HydrophobicContact CD1-CG1 4.15Å; I328-V339 HydrophobicContact CD1-CG2 4.42Å; I328-V339 HydrophobicContact CG1-CG1 3.98Å; I328-V339 HydrophobicContact CG1-CG2 3.84Å; L331-V339 HydrophobicContact CD1-CG2 4.02Å; D335-V339 WeakPolarHBondContact O-CB 3.25Å; D335-V339 VanDerWaalsContact O-CG2 3.27Å; D335-V339 WeakPolarHBondContact O-CG2 3.36Å; D335-V339 PolarHBondContact O-N 3.28Å; I336-V339 PolarHBondContact O-N 3.46Å; V339-A341 VanDerWaalsContact C-N 3.35Å; V339-A341 PolarHBondContact O-N 2.87Å; V339-S342 PolarHBondContact O-N 2.9Å; V339-S342 VanDerWaalsContact O-N 3.12Å; V339-V343 PolarHBondContact O-N 3.48Å; V339-Y518 HydrophobicContact CB-CD2 3.86Å; V339-Y518 HydrophobicContact CB-CE2 3.71Å; V339-Y518 HydrophobicContact CB-CG 4.44Å; V339-Y518 HydrophobicContact CG1-CD1 4.08Å; V339-Y518 HydrophobicContact CG1-CD2 3.91Å; V339-Y518 HydrophobicContact CG1-CE1 3.82Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.13Å; V339-Y518 HydrophobicContact CG2-CD2 4.12Å; V339-Y518 HydrophobicContact CG2-CE2 4.48Å; V339-Y518 HydrophobicContact CG2-CG 4.44Å |
| 340 | R | 93.1 | Very high | 97 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 2% | 0.019 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -54.9 | -48.4 | 179.6 | -74.8 | 176.5 | -179.6 | 160.4 | 5 | 112.3 | I336 S342 W481 L485 E514 D546 | I336-R340 HydrophobicContact CG2-CG 4.33Å; I336-R340 WeakPolarHBondContact O-CB 3.29Å; I336-R340 VanDerWaalsContact O-CG 3.32Å; I336-R340 WeakPolarHBondContact O-CG 3.44Å; I336-R340 PolarHBondContact O-N 2.72Å; R340-S342 VanDerWaalsContact C-N 3.34Å; R340-W481 PolarHBondContact O-NE1 3.21Å; R340-L485 HydrophobicContact CG-CD1 4.06Å; R340-E514 WeakPolarHBondContact CG-OE1 3.31Å; R340-E514 IonicContact CZ-OE1 2.85Å; R340-E514 IonicContact CZ-OE2 2.82Å; R340-E514 IonicContact NE-OE1 3.41Å; R340-E514 PolarHBondContact NE-OE1 3.3Å; R340-E514 IonicContact NE-OE2 2.65Å; R340-E514 PolarHBondContact NE-OE2 3.44Å; R340-E514 VanDerWaalsContact NH2-CD 3.32Å; R340-E514 IonicContact NH2-OE1 3.32Å; R340-E514 PolarHBondContact NH2-OE1 2.99Å; R340-E514 IonicContact NH2-OE2 2.76Å; R340-E514 PolarHBondContact NH2-OE2 3.1Å; R340-D546 IonicContact CZ-OD1 3.14Å; R340-D546 IonicContact CZ-OD2 3.31Å; R340-D546 IonicContact NH1-OD1 2.68Å; R340-D546 PolarHBondContact NH1-OD1 3.02Å; R340-D546 IonicContact NH1-OD2 3.62Å; R340-D546 IonicContact NH2-OD1 3.49Å; R340-D546 PolarHBondContact NH2-OD1 3.13Å; R340-D546 IonicContact NH2-OD2 3.6Å; R340-D546 PolarHBondContact NH2-OD2 3.03Å |
| 341 | A | 92.7 | Very high | 97 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 6% | 0.058 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.2 | -28.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T337 T338 V339 V343 F470 | T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.46Å; T337-A341 VanDerWaalsContact O-N 3.15Å; T338-A341 PolarHBondContact O-N 2.9Å; V339-A341 VanDerWaalsContact C-N 3.35Å; V339-A341 PolarHBondContact O-N 2.87Å; A341-V343 PolarHBondContact O-N 3.07Å; A341-F470 HydrophobicContact CB-CD1 4.03Å; A341-F470 WeakPolarHBondContact O-CD1 3.46Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å |
| 342 | S | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.7 | -25.9 | -175.8 | -64.3 | 0 | 0 | 0 | 0 | 114 | L331 T338 V339 R340 G344 M345 Y346 R404 | L331-S342 WeakPolarHBondContact CD1-OG 3.44Å; L331-S342 VanDerWaalsContact CD2-OG 3.29Å; L331-S342 WeakPolarHBondContact CD2-OG 3.17Å; T338-S342 WeakPolarHBondContact O-CB 3.43Å; T338-S342 PolarHBondContact O-N 2.96Å; T338-S342 PolarHBondContact O-OG 2.76Å; V339-S342 PolarHBondContact O-N 2.9Å; V339-S342 VanDerWaalsContact O-N 3.12Å; R340-S342 VanDerWaalsContact C-N 3.34Å; S342-G344 PolarHBondContact O-N 3.08Å; S342-M345 PolarHBondContact O-N 3.33Å; S342-Y346 WeakPolarHBondContact O-CB 3.11Å; S342-Y346 PolarHBondContact O-N 3.26Å; S342-R404 WeakPolarHBondContact OG-CB 3.3Å; S342-R404 WeakPolarHBondContact OG-CD 3.35Å; S342-R404 WeakPolarHBondContact OG-CG 3.41Å |
| 343 | V | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.9 | -51.3 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | A323 L324 V327 V339 A341 M345 Y346 L347 W481 | A323-V343 HydrophobicContact CB-CG1 4.46Å; L324-V343 HydrophobicContact CD2-CG2 3.77Å; V327-V343 HydrophobicContact CG1-CG2 4.38Å; V327-V343 HydrophobicContact CG2-CG2 4.29Å; V339-V343 PolarHBondContact O-N 3.48Å; A341-V343 PolarHBondContact O-N 3.07Å; V343-M345 PolarHBondContact O-N 2.69Å; V343-Y346 PolarHBondContact O-N 3.32Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.3Å; V343-L347 WeakPolarHBondContact O-CG 3.11Å; V343-L347 PolarHBondContact O-N 3.2Å; V343-W481 HydrophobicContact CB-CZ2 4.19Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.93Å; V343-W481 HydrophobicContact CG2-CZ2 4.12Å |
| 344 | G | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I288 S342 Y346 L347 V348 | I288-G344 WeakPolarHBondContact CD1-O 3.19Å; S342-G344 PolarHBondContact O-N 3.08Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.35Å; G344-L347 PolarHBondContact O-N 2.76Å; G344-V348 WeakPolarHBondContact O-CG1 3.32Å; G344-V348 PolarHBondContact O-N 3.35Å |
| 345 | M | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -33.1 | -177.6 | -159.3 | 174.2 | -170.7 | 0 | 0 | 113.2 | L256 S342 V343 V348 S349 R404 A405 T408 T409 L416 F470 | L256-M345 HydrophobicContact CD1-CE 3.56Å; L256-M345 HydrophobicContact CD1-CG 4.42Å; S342-M345 PolarHBondContact O-N 3.33Å; V343-M345 PolarHBondContact O-N 2.69Å; M345-V348 WeakPolarHBondContact O-CG1 3.36Å; M345-S349 VanDerWaalsContact O-CB 3.26Å; M345-S349 WeakPolarHBondContact O-CB 3.35Å; M345-S349 PolarHBondContact O-N 2.94Å; M345-S349 VanDerWaalsContact O-N 3.13Å; M345-S349 PolarHBondContact O-OG 3.16Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.93Å; M345-A405 HydrophobicContact CE-CB 3.7Å; M345-A405 HydrophobicContact SD-CB 4.19Å; M345-T408 HydrophobicContact CB-CG2 4.39Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.47Å; M345-T408 PolarHBondContact SD-OG1 3Å; M345-T408 VanDerWaalsContact SD-OG1 3.38Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; M345-L416 HydrophobicContact CE-CD1 4.39Å; M345-F470 HydrophobicContact CB-CE1 4.4Å |
| 346 | Y | 98.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.2 | -49.8 | 173.4 | -176.3 | -93.4 | 0 | 0 | 0 | 110.9 | E326 V327 S342 V343 G344 V348 S349 K350 A411 H412 | E326-Y346 HydrophobicContact CB-CE1 4.42Å; E326-Y346 PolarHBondContact OE2-OH 3.33Å; V327-Y346 HydrophobicContact CG2-CD1 3.94Å; V327-Y346 HydrophobicContact CG2-CD2 4.2Å; V327-Y346 HydrophobicContact CG2-CG 3.72Å; S342-Y346 WeakPolarHBondContact O-CB 3.11Å; S342-Y346 PolarHBondContact O-N 3.26Å; V343-Y346 PolarHBondContact O-N 3.32Å; G344-Y346 VanDerWaalsContact C-N 3.33Å; G344-Y346 PolarHBondContact O-N 3.35Å; Y346-V348 PolarHBondContact O-N 3.15Å; Y346-S349 WeakPolarHBondContact O-CB 3.47Å; Y346-S349 PolarHBondContact O-N 3.12Å; Y346-K350 PolarHBondContact O-N 3.36Å; Y346-A411 HydrophobicContact CD2-CB 3.97Å; Y346-A411 HydrophobicContact CE2-CB 3.57Å; Y346-H412 AromaticContact CD1-NE2 3.76Å; Y346-H412 AromaticContact CD2-NE2 3.58Å; Y346-H412 AromaticContact CE1-CE1 3.96Å; Y346-H412 AromaticContact CE1-NE2 3.57Å; Y346-H412 AromaticContact CE2-CE1 3.92Å; Y346-H412 AromaticContact CE2-NE2 3.36Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.45Å; Y346-H412 AromaticContact CG-NE2 3.77Å; Y346-H412 AromaticContact CZ-CE1 3.59Å; Y346-H412 AromaticContact CZ-NE2 3.35Å; Y346-H412 VanDerWaalsContact CZ-NE2 3.35Å; Y346-H412 PolarHBondContact O-CD2 2.73Å; Y346-H412 PolarHBondContact O-NE2 2.83Å |
| 347 | L | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | -179.3 | -68.3 | 175.9 | 0 | 0 | 0 | 112.7 | I288 F315 E319 A323 V343 G344 S349 K350 Y351 | I288-L347 HydrophobicContact CD1-CB 3.61Å; F315-L347 HydrophobicContact CB-CD1 3.89Å; F315-L347 HydrophobicContact CD2-CD1 3.94Å; F315-L347 HydrophobicContact CG-CD1 4.03Å; E319-L347 HydrophobicContact CG-CD1 4.03Å; E319-L347 HydrophobicContact CG-CD2 3.95Å; A323-L347 HydrophobicContact CB-CD2 4.24Å; V343-L347 HydrophobicContact CG1-CD1 4.07Å; V343-L347 VanDerWaalsContact O-CG 3.3Å; V343-L347 WeakPolarHBondContact O-CG 3.11Å; V343-L347 PolarHBondContact O-N 3.2Å; G344-L347 PolarHBondContact O-N 2.76Å; L347-S349 VanDerWaalsContact C-N 3.35Å; L347-K350 WeakPolarHBondContact O-CB 3.21Å; L347-K350 PolarHBondContact O-N 3.1Å; L347-Y351 PolarHBondContact O-N 3.19Å |
| 348 | V | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 175.3 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | L256 F286 I288 V313 G344 M345 Y346 K350 Y351 I352 | L256-V348 HydrophobicContact CD2-CG1 4.03Å; L256-V348 HydrophobicContact CD2-CG2 4.38Å; F286-V348 HydrophobicContact CB-CG2 3.86Å; I288-V348 HydrophobicContact CB-CB 3.88Å; I288-V348 HydrophobicContact CB-CG2 4.14Å; I288-V348 HydrophobicContact CD1-CB 4.02Å; I288-V348 HydrophobicContact CG2-CB 3.85Å; I288-V348 HydrophobicContact CG2-CG1 4.16Å; I288-V348 HydrophobicContact CG2-CG2 4.36Å; V313-V348 HydrophobicContact CG2-CG2 4.07Å; G344-V348 WeakPolarHBondContact O-CG1 3.32Å; G344-V348 PolarHBondContact O-N 3.35Å; M345-V348 WeakPolarHBondContact O-CG1 3.36Å; Y346-V348 PolarHBondContact O-N 3.15Å; V348-K350 PolarHBondContact O-N 3.03Å; V348-Y351 WeakPolarHBondContact O-CB 3.2Å; V348-Y351 PolarHBondContact O-N 2.76Å; V348-I352 HydrophobicContact CG2-CD1 4.24Å; V348-I352 VanDerWaalsContact O-CG1 3.23Å; V348-I352 WeakPolarHBondContact O-CG1 3.43Å; V348-I352 PolarHBondContact O-N 3Å |
| 349 | S | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.4 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | M345 Y346 L347 Y351 I352 R353 T408 L414 | M345-S349 VanDerWaalsContact O-CB 3.26Å; M345-S349 WeakPolarHBondContact O-CB 3.35Å; M345-S349 PolarHBondContact O-N 2.94Å; M345-S349 VanDerWaalsContact O-N 3.13Å; M345-S349 PolarHBondContact O-OG 3.16Å; Y346-S349 WeakPolarHBondContact O-CB 3.47Å; Y346-S349 PolarHBondContact O-N 3.12Å; L347-S349 VanDerWaalsContact C-N 3.35Å; S349-Y351 VanDerWaalsContact C-N 3.33Å; S349-Y351 PolarHBondContact O-N 2.99Å; S349-I352 PolarHBondContact O-N 3.2Å; S349-R353 PolarHBondContact O-N 2.96Å; S349-R353 VanDerWaalsContact O-N 3.09Å; S349-T408 WeakPolarHBondContact CB-O 3.42Å; S349-T408 PolarHBondContact OG-O 3.45Å; S349-L414 WeakPolarHBondContact O-CD1 3.37Å |
| 350 | K | 98.8 | Very high | 97.8 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 172.3 | -170.6 | 175.7 | -178.6 | 172.4 | 0 | 111.5 | Y346 L347 V348 K354 H412 | Y346-K350 PolarHBondContact O-N 3.36Å; L347-K350 WeakPolarHBondContact O-CB 3.21Å; L347-K350 PolarHBondContact O-N 3.1Å; V348-K350 PolarHBondContact O-N 3.03Å; K350-K354 VanDerWaalsContact O-CB 3.25Å; K350-K354 WeakPolarHBondContact O-CB 3.45Å; K350-K354 PolarHBondContact O-N 3.35Å; K350-K354 VanDerWaalsContact O-N 3.12Å; K350-H412 PolarHBondContact N-CD2 3.49Å |
| 351 | Y | 98.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 28% | 0.275 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.6 | -52.9 | 175.9 | -179.9 | -81.1 | 0 | 0 | 0 | 111.5 | F286 H311 V313 L347 V348 S349 R353 K354 K355 | F286-Y351 HydrophobicContact CD1-CD1 4.5Å; H311-Y351 HydrophobicContact CB-CE1 4.22Å; H311-Y351 AromaticContact ND1-CE1 3.87Å; V313-Y351 HydrophobicContact CG1-CD2 3.96Å; V313-Y351 HydrophobicContact CG1-CG 4.11Å; V313-Y351 HydrophobicContact CG2-CD1 3.61Å; V313-Y351 HydrophobicContact CG2-CD2 3.86Å; V313-Y351 HydrophobicContact CG2-CE1 3.99Å; V313-Y351 HydrophobicContact CG2-CE2 4.17Å; V313-Y351 HydrophobicContact CG2-CG 3.56Å; L347-Y351 PolarHBondContact O-N 3.19Å; V348-Y351 WeakPolarHBondContact O-CB 3.2Å; V348-Y351 PolarHBondContact O-N 2.76Å; S349-Y351 VanDerWaalsContact C-N 3.33Å; S349-Y351 PolarHBondContact O-N 2.99Å; Y351-R353 VanDerWaalsContact C-N 3.32Å; Y351-R353 PolarHBondContact O-N 3.25Å; Y351-K354 PolarHBondContact O-N 3.22Å; Y351-K355 HydrophobicContact CD1-CB 4.15Å; Y351-K355 HydrophobicContact CD1-CG 4.3Å; Y351-K355 HydrophobicContact CD2-CG 3.95Å; Y351-K355 HydrophobicContact CE1-CB 3.81Å; Y351-K355 HydrophobicContact CE1-CG 4.13Å; Y351-K355 HydrophobicContact CE2-CB 4.38Å; Y351-K355 HydrophobicContact CE2-CG 3.81Å; Y351-K355 HydrophobicContact CG-CG 4.2Å; Y351-K355 VanDerWaalsContact O-CB 3.31Å; Y351-K355 WeakPolarHBondContact O-CB 3.44Å; Y351-K355 WeakPolarHBondContact O-CG 3.3Å; Y351-K355 PolarHBondContact O-N 3.4Å |
| 352 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -52.9 | -51.7 | -178.2 | -70.3 | 163.1 | 0 | 0 | 0 | 110 | L256 F286 V348 S349 K354 K355 T356 S358 I361 L414 | L256-I352 HydrophobicContact CD2-CD1 3.92Å; F286-I352 HydrophobicContact CB-CD1 4.11Å; F286-I352 HydrophobicContact CB-CG1 4.3Å; F286-I352 HydrophobicContact CD1-CD1 4.23Å; F286-I352 HydrophobicContact CD1-CG1 3.54Å; F286-I352 HydrophobicContact CD2-CD1 3.73Å; F286-I352 HydrophobicContact CD2-CG1 3.81Å; F286-I352 HydrophobicContact CE1-CG1 3.71Å; F286-I352 HydrophobicContact CE2-CD1 4.19Å; F286-I352 HydrophobicContact CE2-CG1 3.95Å; F286-I352 HydrophobicContact CE2-CG2 4.42Å; F286-I352 HydrophobicContact CG-CD1 3.75Å; F286-I352 HydrophobicContact CG-CG1 3.6Å; F286-I352 HydrophobicContact CZ-CG1 3.9Å; F286-I352 HydrophobicContact CZ-CG2 4.27Å; V348-I352 HydrophobicContact CG2-CD1 4.24Å; V348-I352 VanDerWaalsContact O-CG1 3.23Å; V348-I352 WeakPolarHBondContact O-CG1 3.43Å; V348-I352 PolarHBondContact O-N 3Å; S349-I352 PolarHBondContact O-N 3.2Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 3.46Å; I352-K355 PolarHBondContact O-N 2.86Å; I352-T356 PolarHBondContact O-N 3.05Å; I352-T356 PolarHBondContact O-OG1 3.16Å; I352-S358 WeakPolarHBondContact CG2-O 3.39Å; I352-I361 HydrophobicContact CD1-CD1 4.26Å; I352-I361 HydrophobicContact CD1-CG1 4.48Å; I352-I361 HydrophobicContact CG2-CD1 3.87Å; I352-I361 HydrophobicContact CG2-CG1 4.49Å; I352-L414 HydrophobicContact CB-CD1 3.81Å; I352-L414 HydrophobicContact CD1-CD1 4.28Å; I352-L414 HydrophobicContact CG2-CD1 3.69Å; I352-L414 HydrophobicContact CG2-CD2 3.9Å; I352-L414 HydrophobicContact CG2-CG 4.48Å |
| 353 | R | 98.3 | Very high | 98.5 | Very high | 115 Ų | 115 | 35.1 Ų | 35.1 | 43% | 0.434 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 179.4 | 174.8 | 58.6 | -176.5 | -79.3 | 2.8 | 113.2 | S349 Y351 H412 L414 | S349-R353 PolarHBondContact O-N 2.96Å; S349-R353 VanDerWaalsContact O-N 3.09Å; Y351-R353 VanDerWaalsContact C-N 3.32Å; Y351-R353 PolarHBondContact O-N 3.25Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.41Å; R353-H412 WeakPolarHBondContact CD-O 3.28Å; R353-H412 HydrophobicContact CG-CB 4.48Å; R353-H412 VanDerWaalsContact CG-O 3.24Å; R353-H412 WeakPolarHBondContact CG-O 3.39Å; R353-H412 PolarHBondContact NH1-O 2.88Å; R353-L414 HydrophobicContact CB-CD2 4.35Å |
| 354 | K | 98.4 | Very high | 98.5 | Very high | 161 Ų | 161 | 35.6 Ų | 35.6 | 70% | 0.7 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -81.1 | -28.9 | -175.3 | -175.1 | 173.4 | -178 | 178 | 0 | 112.9 | K350 Y351 I352 | K350-K354 VanDerWaalsContact O-CB 3.25Å; K350-K354 WeakPolarHBondContact O-CB 3.45Å; K350-K354 PolarHBondContact O-N 3.35Å; K350-K354 VanDerWaalsContact O-N 3.12Å; Y351-K354 PolarHBondContact O-N 3.22Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 3.46Å |
| 355 | K | 98.5 | Very high | 98.6 | Very high | 134 Ų | 134 | 36.7 Ų | 36.7 | 58% | 0.583 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -116.5 | -14.6 | -165.9 | -62 | -61.5 | -170.7 | 170.6 | 0 | 114.1 | Y351 I352 | Y351-K355 HydrophobicContact CD1-CB 4.15Å; Y351-K355 HydrophobicContact CD1-CG 4.3Å; Y351-K355 HydrophobicContact CD2-CG 3.95Å; Y351-K355 HydrophobicContact CE1-CB 3.81Å; Y351-K355 HydrophobicContact CE1-CG 4.13Å; Y351-K355 HydrophobicContact CE2-CB 4.38Å; Y351-K355 HydrophobicContact CE2-CG 3.81Å; Y351-K355 HydrophobicContact CG-CG 4.2Å; Y351-K355 VanDerWaalsContact O-CB 3.31Å; Y351-K355 WeakPolarHBondContact O-CB 3.44Å; Y351-K355 WeakPolarHBondContact O-CG 3.3Å; Y351-K355 PolarHBondContact O-N 3.4Å; I352-K355 PolarHBondContact O-N 2.86Å |
| 356 | T | 98.5 | Very high | 98.5 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 14% | 0.141 | 17% | 0.166 | C | C | . | . | trans | -136.2 | 172.3 | -177.4 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | F286 I352 S358 | F286-T356 HydrophobicContact CE1-CG2 3.71Å; F286-T356 HydrophobicContact CZ-CG2 3.9Å; I352-T356 PolarHBondContact O-N 3.05Å; I352-T356 PolarHBondContact O-OG1 3.16Å; T356-S358 PolarHBondContact OG1-N 3.36Å | ||
| 357 | D | 97.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | trans | -102.1 | 5.1 | 171.3 | 63.5 | -31.8 | 0 | 0 | 0 | 112.7 | R252 V359 | R252-D357 WeakPolarHBondContact CB-O 3.31Å; R252-D357 VanDerWaalsContact CD-CG 3.41Å; R252-D357 WeakPolarHBondContact CD-OD1 3.3Å; R252-D357 WeakPolarHBondContact CD-OD2 3.33Å; R252-D357 IonicContact CZ-OD1 3.45Å; R252-D357 IonicContact NE-OD1 2.82Å; R252-D357 IonicContact NH1-OD1 2.81Å; R252-D357 PolarHBondContact NH1-OD1 2.99Å; R252-D357 IonicContact NH1-OD2 3.14Å; D357-V359 WeakPolarHBondContact O-CG2 3.42Å; D357-V359 PolarHBondContact O-N 3.27Å | ||
| 358 | S | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.3 | 171.2 | -76.2 | 0 | 0 | 0 | 0 | 110.4 | Q284 I352 T356 L414 | Q284-S358 PolarHBondContact OE1-OG 2.78Å; I352-S358 WeakPolarHBondContact CG2-O 3.39Å; T356-S358 PolarHBondContact OG1-N 3.36Å; S358-L414 WeakPolarHBondContact O-CD2 3.12Å |
| 359 | V | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -41 | -173 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | L50 R251 R252 D357 E415 | L50-V359 HydrophobicContact CD1-CG1 3.87Å; L50-V359 HydrophobicContact CD2-CG1 3.79Å; L50-V359 HydrophobicContact CG-CG1 4.1Å; R251-V359 HydrophobicContact CB-CB 4.03Å; R251-V359 HydrophobicContact CB-CG1 4.29Å; R251-V359 HydrophobicContact CG-CG1 4.41Å; R252-V359 PolarHBondContact O-N 3.34Å; D357-V359 WeakPolarHBondContact O-CG2 3.42Å; D357-V359 PolarHBondContact O-N 3.27Å; V359-E415 PolarHBondContact O-N 2.79Å |
| 360 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.4 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | V52 T249 R251 R252 I253 G254 F362 E415 R417 | V52-V360 HydrophobicContact CG1-CG2 3.66Å; T249-V360 HydrophobicContact CG2-CG2 4.2Å; R251-V360 HydrophobicContact CB-CG2 4.49Å; R252-V360 PolarHBondContact O-N 3.37Å; R252-V360 VanDerWaalsContact O-N 3.15Å; I253-V360 CarbonylContact C-O 3.58Å; I253-V360 WeakPolarHBondContact CA-O 3.4Å; I253-V360 HydrophobicContact CG1-CB 4.22Å; I253-V360 HydrophobicContact CG1-CG1 4.31Å; G254-V360 PolarHBondContact N-O 3.44Å; V360-F362 HydrophobicContact CG1-CD2 4.33Å; V360-F362 HydrophobicContact CG1-CE2 4.04Å; V360-E415 CarbonylContact C-O 2.77Å; V360-R417 VanDerWaalsContact CG1-CD 3.45Å; V360-R417 HydrophobicContact CG1-CG 3.91Å |
| 361 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.5 | -173.3 | -53.5 | -56.7 | 0 | 0 | 0 | 109.6 | G254 L256 F286 I352 L414 E415 L416 R417 | G254-I361 WeakPolarHBondContact O-CA 3.22Å; L256-I361 HydrophobicContact CD1-CG2 4.37Å; L256-I361 HydrophobicContact CD2-CG2 3.9Å; L256-I361 HydrophobicContact CG-CG2 3.64Å; F286-I361 HydrophobicContact CE2-CD1 4.4Å; I352-I361 HydrophobicContact CD1-CD1 4.26Å; I352-I361 HydrophobicContact CD1-CG1 4.48Å; I352-I361 HydrophobicContact CG2-CD1 3.87Å; I352-I361 HydrophobicContact CG2-CG1 4.49Å; I361-L414 HydrophobicContact CG1-CB 4.19Å; I361-L414 HydrophobicContact CG1-CD1 4.17Å; I361-E415 PolarHBondContact N-O 2.89Å; I361-L416 WeakPolarHBondContact O-CA 3.5Å; I361-R417 PolarHBondContact O-N 2.93Å |
| 362 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 146.3 | 172.6 | -80.4 | -112 | 0 | 0 | 0 | 111 | V243 R246 I253 G254 C255 L256 V266 L270 V360 R417 P419 | V243-F362 HydrophobicContact CG1-CE1 3.97Å; R246-F362 HydrophobicContact CB-CE1 3.65Å; R246-F362 HydrophobicContact CB-CZ 3.6Å; R246-F362 WeakPolarHBondContact O-CZ 3.47Å; I253-F362 HydrophobicContact CD1-CE2 4.37Å; I253-F362 HydrophobicContact CG1-CE2 4.5Å; I253-F362 HydrophobicContact CG2-CD2 3.53Å; I253-F362 HydrophobicContact CG2-CE2 3.49Å; I253-F362 VanDerWaalsContact CG2-CE2 3.49Å; G254-F362 PolarHBondContact O-N 2.88Å; C255-F362 WeakPolarHBondContact CA-O 3.11Å; C255-F362 HydrophobicContact CB-CB 4.26Å; L256-F362 PolarHBondContact N-O 2.86Å; V266-F362 HydrophobicContact CG1-CB 3.79Å; V266-F362 HydrophobicContact CG1-CD1 4.08Å; V266-F362 HydrophobicContact CG1-CG 4.42Å; L270-F362 HydrophobicContact CD1-CD1 4.36Å; L270-F362 HydrophobicContact CD1-CD2 4.26Å; L270-F362 HydrophobicContact CD1-CE1 4.05Å; L270-F362 HydrophobicContact CD1-CE2 3.96Å; L270-F362 HydrophobicContact CD1-CG 4.43Å; L270-F362 HydrophobicContact CD1-CZ 3.81Å; L270-F362 HydrophobicContact CD2-CB 3.95Å; L270-F362 HydrophobicContact CD2-CD1 4.3Å; L270-F362 HydrophobicContact CD2-CD2 3.86Å; L270-F362 HydrophobicContact CD2-CE2 4.38Å; L270-F362 HydrophobicContact CD2-CG 3.79Å; V360-F362 HydrophobicContact CG1-CD2 4.33Å; V360-F362 HydrophobicContact CG1-CE2 4.04Å; F362-R417 WeakPolarHBondContact CA-O 3.37Å; F362-R417 HydrophobicContact CD1-CB 4.3Å; F362-R417 HydrophobicContact CD2-CB 4.28Å; F362-R417 HydrophobicContact CE1-CB 4.36Å; F362-R417 HydrophobicContact CE2-CB 4.34Å; F362-R417 HydrophobicContact CG-CB 4.29Å; F362-R417 HydrophobicContact CZ-CB 4.41Å; F362-P419 HydrophobicContact CD1-CG 4.45Å |
| 363 | S | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | trans | -150.3 | 166.9 | 177.4 | -163 | 0 | 0 | 0 | 0 | 112.4 | E365 R417 P419 | S363-E365 WeakPolarHBondContact CB-OE2 3.32Å; S363-E365 PolarHBondContact OG-OE2 2.81Å; S363-R417 PolarHBondContact N-O 3.47Å; S363-P419 WeakPolarHBondContact O-CD 3.43Å | ||
| 364 | G | 98.2 | Very high | 98.1 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | trans | -94.7 | 3 | -172 | 0 | 0 | 0 | 0 | 0 | 116.3 | S367 | G364-S367 PolarHBondContact O-N 3.06Š| ||
| 365 | E | 98.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 11% | 0.112 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 146.9 | -179.2 | -77 | 76.3 | -171.1 | 0 | 0 | 112.8 | S363 S367 D401 R404 A405 V418 | S363-E365 WeakPolarHBondContact CB-OE2 3.32Å; S363-E365 PolarHBondContact OG-OE2 2.81Å; E365-S367 VanDerWaalsContact C-N 3.35Å; E365-D401 HydrophobicContact CG-CB 4.4Å; E365-R404 IonicContact OE1-CZ 3.1Å; E365-R404 IonicContact OE1-NH1 2.55Å; E365-R404 PolarHBondContact OE1-NH1 3.39Å; E365-R404 IonicContact OE1-NH2 3.43Å; E365-R404 PolarHBondContact OE1-NH2 3.42Å; E365-A405 HydrophobicContact CG-CB 4.06Å; E365-V418 HydrophobicContact CB-CG1 3.97Å |
| 366 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -18.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | E369 L370 | G366-E369 VanDerWaalsContact C-OE2 3.32Å; G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 3.44Å; G366-L370 WeakPolarHBondContact O-CB 3.34Å; G366-L370 PolarHBondContact O-N 3.03Å; G366-L370 VanDerWaalsContact O-N 3.07Å |
| 367 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | -180 | -175.7 | 0 | 0 | 0 | 0 | 112 | D262 G364 E365 E369 L370 T371 F420 | D262-S367 VanDerWaalsContact CG-OG 3.28Å; D262-S367 WeakPolarHBondContact OD1-CB 3.48Å; D262-S367 PolarHBondContact OD1-OG 3.48Å; G364-S367 PolarHBondContact O-N 3.06Å; E365-S367 VanDerWaalsContact C-N 3.35Å; S367-E369 VanDerWaalsContact C-N 3.33Å; S367-E369 PolarHBondContact O-N 3.07Å; S367-L370 PolarHBondContact O-N 3.39Å; S367-T371 WeakPolarHBondContact O-CB 3.33Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 2.84Å; S367-T371 PolarHBondContact O-OG1 2.87Å; S367-F420 WeakPolarHBondContact OG-CE1 3.44Å |
| 368 | D | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 10.8 Ų | 10.8 | 9% | 0.091 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | -177.8 | -78.1 | -57.6 | 0 | 0 | 0 | 111.9 | Q372 G373 Y374 K445 K467 | D368-Q372 WeakPolarHBondContact O-CA 3.21Å; D368-Q372 PolarHBondContact O-N 3.42Å; D368-Q372 VanDerWaalsContact O-N 3.07Å; D368-G373 PolarHBondContact O-N 3.43Å; D368-G373 WeakPolarHBondContact OD1-CA 3.21Å; D368-Y374 HydrophobicContact CB-CD1 4.24Å; D368-Y374 HydrophobicContact CB-CD2 4.14Å; D368-Y374 HydrophobicContact CB-CE1 3.89Å; D368-Y374 HydrophobicContact CB-CE2 3.77Å; D368-Y374 HydrophobicContact CB-CG 4.35Å; D368-K445 VanDerWaalsContact CG-NZ 3.28Å; D368-K445 WeakPolarHBondContact OD1-CE 3.21Å; D368-K445 IonicContact OD1-NZ 3.69Å; D368-K445 PolarHBondContact OD1-NZ 3.12Å; D368-K445 IonicContact OD2-NZ 3.39Å; D368-K467 WeakPolarHBondContact OD1-CE 3.41Å; D368-K467 WeakPolarHBondContact OD2-CE 3.26Å; D368-K467 IonicContact OD2-NZ 2.84Å |
| 369 | E | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 179.3 | -63.7 | 75.7 | -161.8 | 0 | 0 | 111.7 | G366 S367 Y374 S390 L393 L394 L397 | G366-E369 VanDerWaalsContact C-OE2 3.32Å; G366-E369 WeakPolarHBondContact CA-OE2 3.36Å; G366-E369 PolarHBondContact N-OE2 3.44Å; S367-E369 VanDerWaalsContact C-N 3.33Å; S367-E369 PolarHBondContact O-N 3.07Å; E369-Y374 HydrophobicContact CG-CE2 4.18Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.3Å; E369-Y374 PolarHBondContact OE1-OH 2.84Å; E369-S390 WeakPolarHBondContact O-CA 3.33Å; E369-S390 VanDerWaalsContact O-CB 3.26Å; E369-S390 WeakPolarHBondContact O-CB 3.48Å; E369-S390 PolarHBondContact O-OG 2.55Å; E369-L393 HydrophobicContact CB-CB 3.85Å; E369-L393 HydrophobicContact CB-CD1 4.41Å; E369-L393 HydrophobicContact CG-CB 3.64Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.48Å; E369-L394 HydrophobicContact CB-CD2 3.87Å; E369-L394 HydrophobicContact CB-CG 4.17Å; E369-L397 HydrophobicContact CB-CD2 4.5Å; E369-L397 VanDerWaalsContact CD-CD2 3.5Å; E369-L397 HydrophobicContact CG-CD2 3.65Å; E369-L397 HydrophobicContact CG-CG 4.13Å |
| 370 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.5 | -41.3 | -179.8 | -177.5 | 67.2 | 0 | 0 | 0 | 112.6 | G366 S367 S390 L394 F425 T426 Y429 L430 | G366-L370 WeakPolarHBondContact O-CB 3.34Å; G366-L370 PolarHBondContact O-N 3.03Å; G366-L370 VanDerWaalsContact O-N 3.07Å; S367-L370 PolarHBondContact O-N 3.39Å; L370-S390 PolarHBondContact O-OG 3.36Å; L370-L394 HydrophobicContact CB-CD2 4.49Å; L370-L394 HydrophobicContact CD1-CD1 4.11Å; L370-F425 HydrophobicContact CD2-CD1 3.73Å; L370-F425 HydrophobicContact CD2-CE1 3.43Å; L370-F425 VanDerWaalsContact CD2-CE1 3.43Å; L370-F425 HydrophobicContact CD2-CZ 4.44Å; L370-T426 HydrophobicContact CD1-CG2 4.08Å; L370-T426 HydrophobicContact CD2-CG2 4.02Å; L370-Y429 HydrophobicContact CD1-CD1 4.28Å; L370-Y429 HydrophobicContact CD1-CG 4.48Å; L370-Y429 HydrophobicContact CD2-CG 4.21Å; L370-Y429 HydrophobicContact CG-CD1 3.96Å; L370-Y429 HydrophobicContact CG-CG 4.1Å; L370-L430 HydrophobicContact CD1-CD1 4.3Å; L370-L430 HydrophobicContact CD1-CD2 3.95Å; L370-L430 HydrophobicContact CD1-CG 3.75Å |
| 371 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -105.6 | 13.6 | -167.5 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | S367 G373 Y429 K445 L448 | S367-T371 WeakPolarHBondContact O-CB 3.33Å; S367-T371 WeakPolarHBondContact O-CG2 3.45Å; S367-T371 PolarHBondContact O-N 2.84Å; S367-T371 PolarHBondContact O-OG1 2.87Å; T371-G373 VanDerWaalsContact C-N 3.31Å; T371-G373 PolarHBondContact O-N 3.04Å; T371-Y429 HydrophobicContact CG2-CD1 4.47Å; T371-Y429 HydrophobicContact CG2-CD2 4.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.89Å; T371-Y429 HydrophobicContact CG2-CE2 3.83Å; T371-K445 WeakPolarHBondContact OG1-CD 3.08Å; T371-K445 VanDerWaalsContact OG1-CG 3.28Å; T371-K445 WeakPolarHBondContact OG1-CG 3.31Å; T371-L448 HydrophobicContact CG2-CD2 4.35Å |
| 372 | Q | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 44.8 | 177.2 | -58.6 | 175.3 | 2.3 | 0 | 0 | 111.9 | D368 F377 A386 R437 | D368-Q372 WeakPolarHBondContact O-CA 3.21Å; D368-Q372 PolarHBondContact O-N 3.42Å; D368-Q372 VanDerWaalsContact O-N 3.07Å; Q372-F377 VanDerWaalsContact C-CD2 3.43Å; Q372-F377 HydrophobicContact CB-CB 4.15Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4Å; Q372-F377 HydrophobicContact CB-CE1 3.9Å; Q372-F377 HydrophobicContact CB-CE2 4.26Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.21Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.68Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.13Å; Q372-F377 WeakPolarHBondContact O-CB 3.34Å; Q372-A386 VanDerWaalsContact NE2-C 3.29Å; Q372-A386 PolarHBondContact NE2-O 2.92Å; Q372-R437 PolarHBondContact OE1-O 2.83Å |
| 373 | G | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -85.9 | -15.7 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | D368 T371 E444 K445 | D368-G373 PolarHBondContact O-N 3.43Å; D368-G373 WeakPolarHBondContact OD1-CA 3.21Å; T371-G373 VanDerWaalsContact C-N 3.31Å; T371-G373 PolarHBondContact O-N 3.04Å; G373-E444 WeakPolarHBondContact O-CG 3.28Å; G373-K445 VanDerWaalsContact CA-CE 3.4Å | ||
| 374 | Y | 94.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 26 Ų | 26 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -70.9 | 141 | 175.5 | -66 | -59.8 | 0 | 0 | 0 | 111.4 | D368 E369 Y376 F377 L393 W537 | D368-Y374 HydrophobicContact CB-CD1 4.24Å; D368-Y374 HydrophobicContact CB-CD2 4.14Å; D368-Y374 HydrophobicContact CB-CE1 3.89Å; D368-Y374 HydrophobicContact CB-CE2 3.77Å; D368-Y374 HydrophobicContact CB-CG 4.35Å; E369-Y374 HydrophobicContact CG-CE2 4.18Å; E369-Y374 WeakPolarHBondContact OE1-CE2 3.3Å; E369-Y374 PolarHBondContact OE1-OH 2.84Å; Y374-Y376 AromaticContact CD2-CE1 3.96Å; Y374-Y376 HydrophobicContact CD2-CE1 3.96Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.86Å; Y374-Y376 HydrophobicContact CG-CE1 3.86Å; Y374-Y376 PolarHBondContact O-N 3.2Å; Y374-F377 HydrophobicContact CD2-CE2 4.11Å; Y374-F377 WeakPolarHBondContact O-CB 3.29Å; Y374-F377 WeakPolarHBondContact O-CD2 3.45Å; Y374-F377 PolarHBondContact O-N 3.14Å; Y374-L393 HydrophobicContact CD2-CD1 3.89Å; Y374-L393 HydrophobicContact CE2-CD1 4.03Å; Y374-W537 HydrophobicContact CD1-CZ2 4.36Å; Y374-W537 HydrophobicContact CD2-CZ2 4.23Å; Y374-W537 HydrophobicContact CE1-CZ2 4.23Å; Y374-W537 HydrophobicContact CE2-CZ2 4.12Å; Y374-W537 HydrophobicContact CG-CZ2 4.37Å |
| 375 | I | 90.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -55.6 | -29.8 | -175.8 | -61.6 | -58.2 | 0 | 0 | 0 | 113.2 | F377 H378 K467 Y555 | I375-F377 PolarHBondContact O-N 2.81Å; I375-H378 WeakPolarHBondContact O-CB 3.42Å; I375-H378 PolarHBondContact O-CD2 2.65Å; I375-H378 VanDerWaalsContact O-CD2 3.24Å; I375-H378 PolarHBondContact O-N 2.82Å; I375-K467 HydrophobicContact CD1-CB 4.1Å; I375-Y555 HydrophobicContact CG1-CE2 4.06Å |
| 376 | Y | 92.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -69.1 | -15.6 | 179.2 | 74.5 | -89.9 | 0 | 0 | 0 | 113.7 | Y374 H378 K379 E389 L393 W537 P539 R540 W541 | Y374-Y376 AromaticContact CD2-CE1 3.96Å; Y374-Y376 HydrophobicContact CD2-CE1 3.96Å; Y374-Y376 HydrophobicContact CG-CD1 4.42Å; Y374-Y376 AromaticContact CG-CE1 3.86Å; Y374-Y376 HydrophobicContact CG-CE1 3.86Å; Y374-Y376 PolarHBondContact O-N 3.2Å; Y376-H378 PolarHBondContact O-N 2.9Å; Y376-K379 WeakPolarHBondContact O-CB 3.47Å; Y376-K379 PolarHBondContact O-N 3.48Å; Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.43Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.35Å; Y376-W537 HydrophobicContact CE1-CH2 4.35Å; Y376-W537 HydrophobicContact CE1-CZ2 4.32Å; Y376-P539 HydrophobicContact CD1-CB 3.65Å; Y376-P539 HydrophobicContact CD2-CB 4.35Å; Y376-P539 HydrophobicContact CE1-CB 4.21Å; Y376-P539 HydrophobicContact CG-CB 3.73Å; Y376-R540 HydrophobicContact CD2-CB 4.16Å; Y376-R540 WeakPolarHBondContact CD2-O 3.34Å; Y376-R540 HydrophobicContact CE2-CB 3.93Å; Y376-W541 AromaticContact CD2-CE3 3.7Å; Y376-W541 HydrophobicContact CD2-CE3 3.7Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.23Å; Y376-W541 AromaticContact CE2-CZ3 3.89Å; Y376-W541 HydrophobicContact CE2-CZ3 3.89Å |
| 377 | F | 95.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.9 | 171.8 | -79.2 | -77.8 | 0 | 0 | 0 | 113.5 | Q372 Y374 I375 K379 A380 A386 E389 L393 P439 W541 | Q372-F377 VanDerWaalsContact C-CD2 3.43Å; Q372-F377 HydrophobicContact CB-CB 4.15Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 4Å; Q372-F377 HydrophobicContact CB-CE1 3.9Å; Q372-F377 HydrophobicContact CB-CE2 4.26Å; Q372-F377 HydrophobicContact CB-CG 3.66Å; Q372-F377 HydrophobicContact CB-CZ 4.21Å; Q372-F377 HydrophobicContact CG-CD1 3.81Å; Q372-F377 HydrophobicContact CG-CE1 3.68Å; Q372-F377 HydrophobicContact CG-CG 4.36Å; Q372-F377 HydrophobicContact CG-CZ 4.13Å; Q372-F377 WeakPolarHBondContact O-CB 3.34Å; Y374-F377 HydrophobicContact CD2-CE2 4.11Å; Y374-F377 WeakPolarHBondContact O-CB 3.29Å; Y374-F377 WeakPolarHBondContact O-CD2 3.45Å; Y374-F377 PolarHBondContact O-N 3.14Å; I375-F377 PolarHBondContact O-N 2.81Å; F377-K379 PolarHBondContact O-N 3.03Å; F377-K379 VanDerWaalsContact O-N 3.11Å; F377-A380 WeakPolarHBondContact O-CB 3.46Å; F377-A380 PolarHBondContact O-N 3.48Å; F377-A380 VanDerWaalsContact O-N 3.09Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.38Å; F377-A386 WeakPolarHBondContact CE1-O 3.48Å; F377-E389 HydrophobicContact CE1-CB 3.93Å; F377-E389 HydrophobicContact CE1-CG 3.71Å; F377-E389 HydrophobicContact CZ-CB 4.27Å; F377-E389 HydrophobicContact CZ-CG 3.66Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.71Å; F377-P439 HydrophobicContact CB-CG 4.24Å; F377-W541 HydrophobicContact CD1-CH2 4.21Å; F377-W541 HydrophobicContact CD1-CZ3 4.06Å; F377-W541 HydrophobicContact CE1-CH2 4.34Å; F377-W541 HydrophobicContact CE1-CZ3 4.49Å |
| 378 | H | 93.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 34 Ų | 34 | 35% | 0.347 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -62.7 | -15 | 170.2 | -68.4 | -70.1 | 0 | 0 | 0 | 113.5 | I375 Y376 P439 E444 | I375-H378 WeakPolarHBondContact O-CB 3.42Å; I375-H378 PolarHBondContact O-CD2 2.65Å; I375-H378 VanDerWaalsContact O-CD2 3.24Å; I375-H378 PolarHBondContact O-N 2.82Å; Y376-H378 PolarHBondContact O-N 2.9Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.44Å; H378-P439 WeakPolarHBondContact ND1-CB 3.49Å; H378-E444 IonicContact NE2-OE2 3.93Å |
| 379 | K | 94 | Very high | 96.5 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -107.7 | 9 | 177.8 | -61.4 | -175.4 | 178.4 | -171.6 | 0 | 113.3 | Y376 F377 P381 W541 I542 H554 | Y376-K379 WeakPolarHBondContact O-CB 3.47Å; Y376-K379 PolarHBondContact O-N 3.48Å; F377-K379 PolarHBondContact O-N 3.03Å; F377-K379 VanDerWaalsContact O-N 3.11Å; K379-P381 WeakPolarHBondContact O-CD 3.41Å; K379-W541 HydrophobicContact CB-CB 4.3Å; K379-I542 HydrophobicContact CD-CD1 3.84Å; K379-I542 HydrophobicContact CD-CG1 3.61Å; K379-H554 VanDerWaalsContact CE-CD2 3.49Å; K379-H554 WeakPolarHBondContact CE-CD2 3.25Å |
| 380 | A | 96.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 33 Ų | 33 | 21% | 0.207 | 17% | 0.171 | C | C | . | . | trans | -57.6 | 128.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F377 S382 A386 W541 | F377-A380 WeakPolarHBondContact O-CB 3.46Å; F377-A380 PolarHBondContact O-N 3.48Å; F377-A380 VanDerWaalsContact O-N 3.09Å; A380-S382 PolarHBondContact O-N 3.38Å; A380-A386 HydrophobicContact CB-CB 3.71Å; A380-W541 HydrophobicContact CB-CE3 4.08Å; A380-W541 HydrophobicContact CB-CH2 3.53Å; A380-W541 HydrophobicContact CB-CZ2 4.03Å; A380-W541 HydrophobicContact CB-CZ3 3.56Å | ||
| 381 | P | 97.2 | Very high | 96.4 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 55% | 0.545 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -67.2 | -26.9 | -178 | -24.1 | 35.3 | 0 | 0 | 0 | 113.4 | K379 E385 W541 | K379-P381 WeakPolarHBondContact O-CD 3.41Å; P381-E385 WeakPolarHBondContact CB-OE1 3.16Å; P381-E385 WeakPolarHBondContact CD-OE2 3.32Å; P381-E385 VanDerWaalsContact CG-OE2 3.24Å; P381-E385 WeakPolarHBondContact CG-OE2 3.48Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.43Å |
| 382 | S | 98.1 | Very high | 96.3 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -151.5 | 159.7 | 178.9 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | A380 E384 E385 A386 | A380-S382 PolarHBondContact O-N 3.38Å; S382-E384 PolarHBondContact O-N 2.93Å; S382-E385 PolarHBondContact O-N 3Å; S382-E385 WeakPolarHBondContact OG-CB 3.44Å; S382-E385 WeakPolarHBondContact OG-CG 3.45Å; S382-E385 PolarHBondContact OG-N 2.85Å; S382-E385 PolarHBondContact OG-OE1 3.07Å; S382-A386 PolarHBondContact O-N 3.12Å |
| 383 | P | 98.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 20% | 0.195 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56 | -36.9 | 171 | -24.6 | 35 | 0 | 0 | 0 | 113.3 | A386 A387 A434 E435 I438 | P383-A386 WeakPolarHBondContact O-CB 3.41Å; P383-A386 PolarHBondContact O-N 2.8Å; P383-A387 WeakPolarHBondContact O-CB 3.3Å; P383-A387 PolarHBondContact O-N 2.58Å; P383-A434 HydrophobicContact CB-CB 3.61Å; P383-E435 HydrophobicContact CB-CG 4.27Å; P383-E435 HydrophobicContact CG-CG 4.05Å; P383-I438 HydrophobicContact CB-CG2 3.86Å; P383-I438 HydrophobicContact CG-CD1 4.31Å; P383-I438 HydrophobicContact CG-CG2 4.19Å |
| 384 | E | 98.2 | Very high | 96.4 | Very high | 97 Ų | 97 | 36.7 Ų | 36.7 | 45% | 0.453 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 179.2 | -66.5 | 67.3 | -147.1 | 0 | 0 | 111.1 | S382 A386 A387 E388 | S382-E384 PolarHBondContact O-N 2.93Å; E384-A386 VanDerWaalsContact C-N 3.28Å; E384-A386 PolarHBondContact O-N 3.39Å; E384-A387 WeakPolarHBondContact O-CB 3.29Å; E384-A387 PolarHBondContact O-N 2.96Å; E384-A387 VanDerWaalsContact O-N 3.08Å; E384-E388 WeakPolarHBondContact O-CG 3.37Å; E384-E388 PolarHBondContact O-N 3.49Å |
| 385 | E | 98.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 175.8 | -75.1 | 179.1 | -118.1 | 0 | 0 | 112.2 | P381 S382 E389 W541 | P381-E385 WeakPolarHBondContact CB-OE1 3.16Å; P381-E385 WeakPolarHBondContact CD-OE2 3.32Å; P381-E385 VanDerWaalsContact CG-OE2 3.24Å; P381-E385 WeakPolarHBondContact CG-OE2 3.48Å; S382-E385 PolarHBondContact O-N 3Å; S382-E385 WeakPolarHBondContact OG-CB 3.44Å; S382-E385 WeakPolarHBondContact OG-CG 3.45Å; S382-E385 PolarHBondContact OG-N 2.85Å; S382-E385 PolarHBondContact OG-OE1 3.07Å; E385-E389 WeakPolarHBondContact O-CB 3.5Å; E385-E389 PolarHBondContact O-N 3Å; E385-W541 HydrophobicContact CB-CZ2 4.06Å; E385-W541 PolarHBondContact OE2-NE1 3.26Å |
| 386 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q372 F377 A380 S382 P383 E384 S390 I438 | Q372-A386 VanDerWaalsContact NE2-C 3.29Å; Q372-A386 PolarHBondContact NE2-O 2.92Å; F377-A386 HydrophobicContact CD1-CB 4.08Å; F377-A386 HydrophobicContact CE1-CB 4.38Å; F377-A386 WeakPolarHBondContact CE1-O 3.48Å; A380-A386 HydrophobicContact CB-CB 3.71Å; S382-A386 PolarHBondContact O-N 3.12Å; P383-A386 WeakPolarHBondContact O-CB 3.41Å; P383-A386 PolarHBondContact O-N 2.8Å; E384-A386 VanDerWaalsContact C-N 3.28Å; E384-A386 PolarHBondContact O-N 3.39Å; A386-S390 WeakPolarHBondContact O-CB 3.48Å; A386-S390 PolarHBondContact O-N 3.43Å; A386-I438 HydrophobicContact CB-CG2 4.35Å |
| 387 | A | 97.5 | Very high | 97 | Very high | 8 Ų | 8 | 39 Ų | 39 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P383 E384 E389 S390 E391 A434 R437 | P383-A387 WeakPolarHBondContact O-CB 3.3Å; P383-A387 PolarHBondContact O-N 2.58Å; E384-A387 WeakPolarHBondContact O-CB 3.29Å; E384-A387 PolarHBondContact O-N 2.96Å; E384-A387 VanDerWaalsContact O-N 3.08Å; A387-E389 VanDerWaalsContact C-N 3.3Å; A387-E389 PolarHBondContact O-N 2.95Å; A387-S390 WeakPolarHBondContact O-CB 3.31Å; A387-S390 PolarHBondContact O-N 3.12Å; A387-E391 WeakPolarHBondContact O-CG 3.35Å; A387-E391 PolarHBondContact O-N 3.1Å; A387-A434 HydrophobicContact CB-CB 4.32Å; A387-R437 VanDerWaalsContact CB-NH2 3.26Å |
| 388 | E | 97.4 | Very high | 97.1 | Very high | 119 Ų | 119 | 40.6 Ų | 40.6 | 56% | 0.556 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.4 | -39.3 | 176.5 | -72.4 | -178.4 | -177.6 | 0 | 0 | 112.3 | E384 E391 R392 | E384-E388 WeakPolarHBondContact O-CG 3.37Å; E384-E388 PolarHBondContact O-N 3.49Å; E388-E391 PolarHBondContact O-N 3.07Å; E388-R392 PolarHBondContact O-N 2.66Å |
| 389 | E | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 176.3 | 175.4 | 61.2 | 178.7 | 0 | 0 | 112.1 | Y376 F377 E385 A387 E391 R392 L393 R540 W541 | Y376-E389 HydrophobicContact CE2-CG 3.88Å; Y376-E389 PolarHBondContact OH-OE1 3.43Å; F377-E389 HydrophobicContact CE1-CB 3.93Å; F377-E389 HydrophobicContact CE1-CG 3.71Å; F377-E389 HydrophobicContact CZ-CB 4.27Å; F377-E389 HydrophobicContact CZ-CG 3.66Å; E385-E389 WeakPolarHBondContact O-CB 3.5Å; E385-E389 PolarHBondContact O-N 3Å; A387-E389 VanDerWaalsContact C-N 3.3Å; A387-E389 PolarHBondContact O-N 2.95Å; E389-E391 VanDerWaalsContact C-N 3.29Å; E389-E391 PolarHBondContact O-N 2.85Å; E389-R392 WeakPolarHBondContact O-CB 3.42Å; E389-R392 PolarHBondContact O-N 2.85Å; E389-R392 VanDerWaalsContact O-N 3.16Å; E389-R392 IonicContact OE1-CZ 2.74Å; E389-R392 IonicContact OE1-NE 3.83Å; E389-R392 IonicContact OE1-NH2 3.49Å; E389-R392 PolarHBondContact OE1-NH2 3.41Å; E389-R392 IonicContact OE2-CZ 3.48Å; E389-R392 IonicContact OE2-NE 3.41Å; E389-R392 PolarHBondContact OE2-NE 3.24Å; E389-R392 IonicContact OE2-NH2 3.44Å; E389-R392 PolarHBondContact OE2-NH2 2.92Å; E389-L393 HydrophobicContact CG-CD1 4.43Å; E389-L393 WeakPolarHBondContact O-CG 3.34Å; E389-L393 PolarHBondContact O-N 3.43Å; E389-R540 WeakPolarHBondContact OE2-CD 3.15Å; E389-R540 IonicContact OE2-CZ 2.71Å; E389-R540 IonicContact OE2-NE 3.71Å; E389-R540 PolarHBondContact OE2-NE 3.21Å; E389-R540 IonicContact OE2-NH1 3.58Å; E389-W541 HydrophobicContact CB-CH2 3.79Å; E389-W541 HydrophobicContact CB-CZ2 4.18Å; E389-W541 HydrophobicContact CG-CH2 4.01Å |
| 390 | S | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.8 | -44.9 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | E369 L370 A386 A387 R392 L393 L394 | E369-S390 WeakPolarHBondContact O-CA 3.33Å; E369-S390 VanDerWaalsContact O-CB 3.26Å; E369-S390 WeakPolarHBondContact O-CB 3.48Å; E369-S390 PolarHBondContact O-OG 2.55Å; L370-S390 PolarHBondContact O-OG 3.36Å; A386-S390 WeakPolarHBondContact O-CB 3.48Å; A386-S390 PolarHBondContact O-N 3.43Å; A387-S390 WeakPolarHBondContact O-CB 3.31Å; A387-S390 PolarHBondContact O-N 3.12Å; S390-R392 PolarHBondContact O-N 3.25Å; S390-L393 PolarHBondContact O-N 3.41Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.26Å; S390-L394 PolarHBondContact O-N 3.48Å |
| 391 | E | 96.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 176 | -71.1 | 176.6 | -136.2 | 0 | 0 | 113.3 | K208 A387 E388 E389 K395 | K208-E391 WeakPolarHBondContact CE-OE1 3.48Å; K208-E391 WeakPolarHBondContact CE-OE2 3.31Å; K208-E391 IonicContact NZ-OE1 3Å; K208-E391 PolarHBondContact NZ-OE1 2.92Å; K208-E391 IonicContact NZ-OE2 3.62Å; K208-E391 PolarHBondContact NZ-OE2 2.75Å; A387-E391 WeakPolarHBondContact O-CG 3.35Å; A387-E391 PolarHBondContact O-N 3.1Å; E388-E391 PolarHBondContact O-N 3.07Å; E389-E391 VanDerWaalsContact C-N 3.29Å; E389-E391 PolarHBondContact O-N 2.85Å; E391-K395 WeakPolarHBondContact O-CD 3.34Å; E391-K395 VanDerWaalsContact O-CG 3.25Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.48Å; E391-K395 VanDerWaalsContact O-N 3.1Å |
| 392 | R | 96.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 30 Ų | 30 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.5 | -173.8 | -169.1 | 70.4 | 78 | 3.8 | 110.6 | E388 E389 S390 L394 K395 E396 | E388-R392 PolarHBondContact O-N 2.66Å; E389-R392 WeakPolarHBondContact O-CB 3.42Å; E389-R392 PolarHBondContact O-N 2.85Å; E389-R392 VanDerWaalsContact O-N 3.16Å; E389-R392 IonicContact OE1-CZ 2.74Å; E389-R392 IonicContact OE1-NE 3.83Å; E389-R392 IonicContact OE1-NH2 3.49Å; E389-R392 PolarHBondContact OE1-NH2 3.41Å; E389-R392 IonicContact OE2-CZ 3.48Å; E389-R392 IonicContact OE2-NE 3.41Å; E389-R392 PolarHBondContact OE2-NE 3.24Å; E389-R392 IonicContact OE2-NH2 3.44Å; E389-R392 PolarHBondContact OE2-NH2 2.92Å; S390-R392 PolarHBondContact O-N 3.25Å; R392-L394 PolarHBondContact O-N 2.62Å; R392-K395 WeakPolarHBondContact O-CB 3.48Å; R392-K395 PolarHBondContact O-N 2.67Å; R392-E396 VanDerWaalsContact CG-OE1 3.31Å; R392-E396 WeakPolarHBondContact CG-OE1 3.37Å; R392-E396 IonicContact CZ-OE2 3.63Å; R392-E396 IonicContact NH1-OE1 3.6Å; R392-E396 PolarHBondContact NH1-OE1 3.49Å; R392-E396 IonicContact NH1-OE2 2.72Å; R392-E396 PolarHBondContact NH1-OE2 3.5Å; R392-E396 WeakPolarHBondContact O-CG 3.37Å; R392-E396 PolarHBondContact O-N 2.71Å; R392-E396 VanDerWaalsContact O-N 3.08Å |
| 393 | L | 97.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 178.1 | -68.2 | 173.4 | 0 | 0 | 0 | 111.6 | E369 Y374 Y376 F377 E389 S390 K395 E396 L397 | E369-L393 HydrophobicContact CB-CB 3.85Å; E369-L393 HydrophobicContact CB-CD1 4.41Å; E369-L393 HydrophobicContact CG-CB 3.64Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.48Å; Y374-L393 HydrophobicContact CD2-CD1 3.89Å; Y374-L393 HydrophobicContact CE2-CD1 4.03Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.35Å; F377-L393 HydrophobicContact CE2-CD1 3.82Å; F377-L393 HydrophobicContact CZ-CD1 3.71Å; E389-L393 HydrophobicContact CG-CD1 4.43Å; E389-L393 WeakPolarHBondContact O-CG 3.34Å; E389-L393 PolarHBondContact O-N 3.43Å; S390-L393 PolarHBondContact O-N 3.41Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 3.41Å; L393-E396 CarbonylContact O-C 3.58Å; L393-E396 PolarHBondContact O-N 3.25Å; L393-L397 PolarHBondContact O-N 3.43Å |
| 394 | L | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -37.1 | 176.8 | -72.4 | 172.7 | 0 | 0 | 0 | 112.7 | Y140 E369 L370 S390 R392 E396 L397 L421 L430 | Y140-L394 HydrophobicContact CD1-CB 4.41Å; Y140-L394 HydrophobicContact CD1-CD2 4.43Å; Y140-L394 HydrophobicContact CE1-CB 4.14Å; Y140-L394 HydrophobicContact CE1-CD1 4.49Å; Y140-L394 HydrophobicContact CE1-CD2 4.13Å; Y140-L394 HydrophobicContact CE1-CG 4.5Å; E369-L394 HydrophobicContact CB-CD2 3.87Å; E369-L394 HydrophobicContact CB-CG 4.17Å; L370-L394 HydrophobicContact CB-CD2 4.49Å; L370-L394 HydrophobicContact CD1-CD1 4.11Å; S390-L394 VanDerWaalsContact O-CG 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.26Å; S390-L394 PolarHBondContact O-N 3.48Å; R392-L394 PolarHBondContact O-N 2.62Å; L394-E396 VanDerWaalsContact C-N 3.32Å; L394-L397 HydrophobicContact CD2-CD1 3.76Å; L394-L421 HydrophobicContact CD2-CD2 4.02Å; L394-L430 HydrophobicContact CD1-CD1 3.78Å; L394-L430 HydrophobicContact CD1-CD2 4.04Å; L394-L430 HydrophobicContact CD1-CG 4.38Å |
| 395 | K | 96.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 23.9 Ų | 23.9 | 40% | 0.396 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68 | -30.5 | 175 | -73.7 | 163.5 | -170 | 164.7 | 0 | 112.9 | Y207 E391 R392 L393 Y398 | Y207-K395 HydrophobicContact CD2-CG 4.33Å; Y207-K395 HydrophobicContact CE2-CD 4.29Å; Y207-K395 HydrophobicContact CE2-CG 3.47Å; Y207-K395 VanDerWaalsContact CE2-CG 3.47Å; E391-K395 WeakPolarHBondContact O-CD 3.34Å; E391-K395 VanDerWaalsContact O-CG 3.25Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.48Å; E391-K395 VanDerWaalsContact O-N 3.1Å; R392-K395 WeakPolarHBondContact O-CB 3.48Å; R392-K395 PolarHBondContact O-N 2.67Å; L393-K395 VanDerWaalsContact C-N 3.28Å; L393-K395 PolarHBondContact O-N 3.41Å; K395-Y398 VanDerWaalsContact O-CD1 3.3Å; K395-Y398 WeakPolarHBondContact O-CD1 3.29Å; K395-Y398 WeakPolarHBondContact O-CE1 3.48Å |
| 396 | E | 97.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 20.4 Ų | 20.4 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -99.7 | -4.2 | -174.7 | -68.3 | 177.7 | -159.1 | 0 | 0 | 113.6 | R392 L393 L394 Y398 L399 F400 H535 | R392-E396 VanDerWaalsContact CG-OE1 3.31Å; R392-E396 WeakPolarHBondContact CG-OE1 3.37Å; R392-E396 IonicContact CZ-OE2 3.63Å; R392-E396 IonicContact NH1-OE1 3.6Å; R392-E396 PolarHBondContact NH1-OE1 3.49Å; R392-E396 IonicContact NH1-OE2 2.72Å; R392-E396 PolarHBondContact NH1-OE2 3.5Å; R392-E396 WeakPolarHBondContact O-CG 3.37Å; R392-E396 PolarHBondContact O-N 2.71Å; R392-E396 VanDerWaalsContact O-N 3.08Å; L393-E396 CarbonylContact O-C 3.58Å; L393-E396 PolarHBondContact O-N 3.25Å; L394-E396 VanDerWaalsContact C-N 3.32Å; E396-Y398 PolarHBondContact O-N 3.36Å; E396-L399 WeakPolarHBondContact O-CB 3.38Å; E396-L399 PolarHBondContact O-N 2.74Å; E396-F400 HydrophobicContact CB-CD2 4.15Å; E396-F400 HydrophobicContact CB-CE2 3.99Å; E396-F400 WeakPolarHBondContact O-CD2 3.28Å; E396-F400 WeakPolarHBondContact OE2-CE2 3.45Å; E396-H535 VanDerWaalsContact CD-NE2 3.29Å; E396-H535 IonicContact OE1-CE1 2.66Å; E396-H535 IonicContact OE1-NE2 2.65Å; E396-H535 IonicContact OE2-CD2 2.68Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.85Å; E396-H535 IonicContact OE2-NE2 3.93Å; E396-H535 PolarHBondContact OE2-NE2 3.23Å |
| 397 | L | 97.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -45.6 | -41.5 | 178.8 | -89.3 | 175 | 0 | 0 | 0 | 112.9 | E369 L393 L394 L399 F400 D401 V402 L421 | E369-L397 HydrophobicContact CB-CD2 4.5Å; E369-L397 VanDerWaalsContact CD-CD2 3.5Å; E369-L397 HydrophobicContact CG-CD2 3.65Å; E369-L397 HydrophobicContact CG-CG 4.13Å; L393-L397 PolarHBondContact O-N 3.43Å; L394-L397 HydrophobicContact CD2-CD1 3.76Å; L397-L399 PolarHBondContact O-N 2.8Å; L397-L399 VanDerWaalsContact O-N 3.13Å; L397-F400 CarbonylContact O-C 3.54Å; L397-F400 PolarHBondContact O-N 3.47Å; L397-D401 HydrophobicContact CD2-CB 3.98Å; L397-D401 PolarHBondContact O-N 2.89Å; L397-V402 HydrophobicContact CB-CB 4.2Å; L397-V402 HydrophobicContact CB-CG2 3.9Å; L397-V402 HydrophobicContact CD1-CG2 4.34Å; L397-V402 HydrophobicContact CD2-CG2 4.2Å; L397-V402 HydrophobicContact CG-CG2 4.4Å; L397-V402 WeakPolarHBondContact O-CB 3.44Å; L397-V402 PolarHBondContact O-N 2.75Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.59Å; L397-L421 HydrophobicContact CD1-CG 4.41Å |
| 398 | Y | 98.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 15% | 0.145 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -64.6 | -12.4 | -178.6 | 84.9 | -81.9 | 0 | 0 | 0 | 115 | P179 P182 K395 E396 L403 | P179-Y398 HydrophobicContact CB-CE2 4.07Å; P182-Y398 HydrophobicContact CG-CD1 3.48Å; P182-Y398 VanDerWaalsContact CG-CD1 3.48Å; P182-Y398 HydrophobicContact CG-CD2 4.12Å; P182-Y398 HydrophobicContact CG-CE1 4.05Å; P182-Y398 HydrophobicContact CG-CG 3.5Å; K395-Y398 VanDerWaalsContact O-CD1 3.3Å; K395-Y398 WeakPolarHBondContact O-CD1 3.29Å; K395-Y398 WeakPolarHBondContact O-CE1 3.48Å; E396-Y398 PolarHBondContact O-N 3.36Å; Y398-L403 WeakPolarHBondContact O-CB 3.42Å |
| 399 | L | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 14.5 Ų | 14.5 | 5% | 0.047 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -95.2 | -21.9 | 174.5 | -62.3 | 171.1 | 0 | 0 | 0 | 112.3 | E396 L397 P534 | E396-L399 WeakPolarHBondContact O-CB 3.38Å; E396-L399 PolarHBondContact O-N 2.74Å; L397-L399 PolarHBondContact O-N 2.8Å; L397-L399 VanDerWaalsContact O-N 3.13Å; L399-P534 HydrophobicContact CD1-CG 3.74Å |
| 400 | F | 98 | Very high | 97.9 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | -104.1 | -169 | -54.7 | -62 | 0 | 0 | 0 | 111.5 | D335 E396 L397 V402 L403 R404 L533 H535 W537 | D335-F400 HydrophobicContact CB-CD1 4.47Å; D335-F400 HydrophobicContact CB-CE1 4.39Å; E396-F400 HydrophobicContact CB-CD2 4.15Å; E396-F400 HydrophobicContact CB-CE2 3.99Å; E396-F400 WeakPolarHBondContact O-CD2 3.28Å; E396-F400 WeakPolarHBondContact OE2-CE2 3.45Å; L397-F400 CarbonylContact O-C 3.54Å; L397-F400 PolarHBondContact O-N 3.47Å; F400-V402 PolarHBondContact O-N 3.44Å; F400-L403 WeakPolarHBondContact O-CA 3.45Å; F400-L403 WeakPolarHBondContact O-CB 3.43Å; F400-L403 PolarHBondContact O-N 3.39Å; F400-L403 VanDerWaalsContact O-N 3.09Å; F400-R404 PolarHBondContact O-N 3.04Å; F400-L533 HydrophobicContact CE1-CD1 3.88Å; F400-L533 HydrophobicContact CZ-CD1 4.4Å; F400-H535 AromaticContact CE2-NE2 3.95Å; F400-H535 AromaticContact CZ-CD2 3.88Å; F400-H535 AromaticContact CZ-NE2 3.85Å; F400-W537 HydrophobicContact CD1-CB 3.74Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.7Å; F400-W537 HydrophobicContact CE1-CB 3.58Å; F400-W537 HydrophobicContact CE2-CB 4.38Å; F400-W537 HydrophobicContact CG-CB 4.22Å; F400-W537 AromaticContact CG-CD1 3.79Å; F400-W537 HydrophobicContact CG-CG 4.39Å; F400-W537 HydrophobicContact CZ-CB 3.92Å |
| 401 | D | 97.6 | Very high | 98 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 11% | 0.112 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | -171 | -68.9 | -91.6 | 0 | 0 | 0 | 114 | E365 L397 R404 A405 | E365-D401 HydrophobicContact CG-CB 4.4Å; L397-D401 HydrophobicContact CD2-CB 3.98Å; L397-D401 PolarHBondContact O-N 2.89Å; D401-R404 PolarHBondContact O-N 3.37Å; D401-R404 IonicContact OD1-CZ 3.67Å; D401-R404 IonicContact OD1-NH2 3.84Å; D401-R404 PolarHBondContact OD1-NH2 3.17Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.48Å; D401-A405 PolarHBondContact O-N 3.4Å |
| 402 | V | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71.6 | -33.7 | 176.1 | 160.1 | 0 | 0 | 0 | 0 | 111.2 | G141 V142 L397 F400 A405 D406 L421 | G141-V402 WeakPolarHBondContact O-CG1 3.28Å; V142-V402 VanDerWaalsContact CA-CG1 3.47Å; V142-V402 HydrophobicContact CB-CG1 4.48Å; L397-V402 HydrophobicContact CB-CB 4.2Å; L397-V402 HydrophobicContact CB-CG2 3.9Å; L397-V402 HydrophobicContact CD1-CG2 4.34Å; L397-V402 HydrophobicContact CD2-CG2 4.2Å; L397-V402 HydrophobicContact CG-CG2 4.4Å; L397-V402 WeakPolarHBondContact O-CB 3.44Å; L397-V402 PolarHBondContact O-N 2.75Å; F400-V402 PolarHBondContact O-N 3.44Å; V402-A405 PolarHBondContact O-N 3.16Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 3.09Å; V402-L421 HydrophobicContact CG2-CD1 3.71Å |
| 403 | L | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 13.1 Ų | 13.1 | 7% | 0.068 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.9 | -53 | 171.9 | -179.5 | 154.9 | 0 | 0 | 0 | 110.2 | L331 T333 T338 Y398 F400 A405 D406 R407 | L331-L403 HydrophobicContact CB-CD2 4.03Å; L331-L403 HydrophobicContact CD2-CD2 3.52Å; L331-L403 HydrophobicContact CG-CD2 4.36Å; L331-L403 WeakPolarHBondContact O-CD2 3.39Å; T333-L403 HydrophobicContact CG2-CD1 4.35Å; T333-L403 HydrophobicContact CG2-CD2 3.83Å; T338-L403 HydrophobicContact CG2-CD2 4.08Å; Y398-L403 WeakPolarHBondContact O-CB 3.42Å; F400-L403 WeakPolarHBondContact O-CA 3.45Å; F400-L403 WeakPolarHBondContact O-CB 3.43Å; F400-L403 PolarHBondContact O-N 3.39Å; F400-L403 VanDerWaalsContact O-N 3.09Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.03Å; L403-D406 PolarHBondContact O-N 3.16Å; L403-R407 HydrophobicContact CD2-CG 4.21Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 3.1Å |
| 404 | R | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 5% | 0.053 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -53.2 | -52.9 | 175.8 | 162.9 | 174.9 | 65.3 | 69.4 | 1.7 | 110.9 | L331 T338 S342 M345 E365 F400 D401 D406 R407 T408 | L331-R404 HydrophobicContact CD2-CB 4.35Å; T338-R404 HydrophobicContact CG2-CB 4.02Å; S342-R404 WeakPolarHBondContact OG-CB 3.3Å; S342-R404 WeakPolarHBondContact OG-CD 3.35Å; S342-R404 WeakPolarHBondContact OG-CG 3.41Å; M345-R404 HydrophobicContact SD-CG 3.86Å; M345-R404 PolarHBondContact SD-NH1 2.93Å; E365-R404 IonicContact OE1-CZ 3.1Å; E365-R404 IonicContact OE1-NH1 2.55Å; E365-R404 PolarHBondContact OE1-NH1 3.39Å; E365-R404 IonicContact OE1-NH2 3.43Å; E365-R404 PolarHBondContact OE1-NH2 3.42Å; F400-R404 PolarHBondContact O-N 3.04Å; D401-R404 PolarHBondContact O-N 3.37Å; D401-R404 IonicContact OD1-CZ 3.67Å; D401-R404 IonicContact OD1-NH2 3.84Å; D401-R404 PolarHBondContact OD1-NH2 3.17Å; R404-D406 PolarHBondContact O-N 2.94Å; R404-R407 PolarHBondContact O-N 3.23Å; R404-T408 HydrophobicContact CG-CG2 4.47Å; R404-T408 WeakPolarHBondContact O-CB 3.19Å; R404-T408 WeakPolarHBondContact O-CG2 3.46Å; R404-T408 PolarHBondContact O-N 2.89Å; R404-T408 PolarHBondContact O-OG1 2.86Å |
| 405 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M345 E365 D401 V402 L403 T409 L416 | M345-A405 HydrophobicContact CE-CB 3.7Å; M345-A405 HydrophobicContact SD-CB 4.19Å; E365-A405 HydrophobicContact CG-CB 4.06Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.48Å; D401-A405 PolarHBondContact O-N 3.4Å; V402-A405 PolarHBondContact O-N 3.16Å; L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.03Å; A405-T409 WeakPolarHBondContact O-CB 3.36Å; A405-T409 WeakPolarHBondContact O-CG2 3.29Å; A405-T409 PolarHBondContact O-OG1 3.08Å; A405-L416 HydrophobicContact CB-CD1 4.16Å; A405-L416 HydrophobicContact CB-CD2 3.39Å; A405-L416 HydrophobicContact CB-CG 4.4Å |
| 406 | D | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68 | -54.2 | 175.4 | 172 | 98.6 | 0 | 0 | 0 | 111.8 | M1 R27 P144 V402 L403 R404 T408 T409 A410 | M1-D406 HydrophobicContact CE-CB 3.92Å; M1-D406 WeakPolarHBondContact CE-O 3.31Å; M1-D406 WeakPolarHBondContact CE-OD1 3.24Å; R27-D406 IonicContact CZ-OD1 3Å; R27-D406 IonicContact CZ-OD2 3.14Å; R27-D406 IonicContact NH1-OD1 3.11Å; R27-D406 IonicContact NH1-OD2 2.74Å; R27-D406 PolarHBondContact NH1-OD2 2.98Å; R27-D406 IonicContact NH2-OD1 3.81Å; R27-D406 PolarHBondContact NH2-OD1 2.96Å; R27-D406 IonicContact NH2-OD2 3.18Å; R27-D406 PolarHBondContact NH2-OD2 3.25Å; R27-D406 VanDerWaalsContact NH2-OD2 3.14Å; P144-D406 VanDerWaalsContact CD-CG 3.5Å; P144-D406 WeakPolarHBondContact CD-OD1 3.41Å; P144-D406 WeakPolarHBondContact CG-OD2 3.34Å; V402-D406 WeakPolarHBondContact O-CB 3.25Å; V402-D406 PolarHBondContact O-N 3.09Å; L403-D406 PolarHBondContact O-N 3.16Å; R404-D406 PolarHBondContact O-N 2.94Å; D406-T408 PolarHBondContact O-N 3.04Å; D406-T409 PolarHBondContact O-N 2.71Å; D406-T409 PolarHBondContact O-OG1 3.26Å; D406-A410 WeakPolarHBondContact O-CB 3.27Å; D406-A410 PolarHBondContact O-N 3.45Å |
| 407 | R | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.015 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | -170.6 | -64.8 | -57.8 | 179.8 | -63.9 | -17.5 | 112.4 | P144 S330 L331 E332 L403 R404 A411 | P144-R407 VanDerWaalsContact CB-CZ 3.43Å; P144-R407 VanDerWaalsContact CB-NH2 3.29Å; P144-R407 VanDerWaalsContact CG-NH1 3.3Å; S330-R407 WeakPolarHBondContact O-CB 3.18Å; S330-R407 WeakPolarHBondContact O-CD 3.36Å; S330-R407 WeakPolarHBondContact O-CG 3.16Å; L331-R407 HydrophobicContact CD2-CB 4.18Å; E332-R407 IonicContact OE2-NE 2.66Å; L403-R407 HydrophobicContact CD2-CG 4.21Å; L403-R407 HydrophobicContact CG-CG 4.26Å; L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 VanDerWaalsContact O-CG 3.25Å; L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 3.1Å; R404-R407 PolarHBondContact O-N 3.23Å; R407-A411 VanDerWaalsContact O-CB 3.28Å; R407-A411 WeakPolarHBondContact O-CB 3.47Å; R407-A411 PolarHBondContact O-N 2.87Å |
| 408 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -72.1 | -34.4 | -176.7 | 59 | 0 | 0 | 0 | 0 | 112.9 | L331 M345 S349 R404 D406 | L331-T408 HydrophobicContact CD2-CG2 4.21Å; M345-T408 HydrophobicContact CB-CG2 4.39Å; M345-T408 VanDerWaalsContact CG-OG1 3.24Å; M345-T408 WeakPolarHBondContact CG-OG1 3.47Å; M345-T408 PolarHBondContact SD-OG1 3Å; M345-T408 VanDerWaalsContact SD-OG1 3.38Å; S349-T408 WeakPolarHBondContact CB-O 3.42Å; S349-T408 PolarHBondContact OG-O 3.45Å; R404-T408 HydrophobicContact CG-CG2 4.47Å; R404-T408 WeakPolarHBondContact O-CB 3.19Å; R404-T408 WeakPolarHBondContact O-CG2 3.46Å; R404-T408 PolarHBondContact O-N 2.89Å; R404-T408 PolarHBondContact O-OG1 2.86Å; D406-T408 PolarHBondContact O-N 3.04Å |
| 409 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -76 | -42.2 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | M1 M345 A405 D406 A411 H412 L414 L416 | M1-T409 VanDerWaalsContact CE-OG1 3.23Å; M1-T409 WeakPolarHBondContact CE-OG1 3.1Å; M345-T409 HydrophobicContact CE-CG2 4.04Å; A405-T409 WeakPolarHBondContact O-CB 3.36Å; A405-T409 WeakPolarHBondContact O-CG2 3.29Å; A405-T409 PolarHBondContact O-OG1 3.08Å; D406-T409 PolarHBondContact O-N 2.71Å; D406-T409 PolarHBondContact O-OG1 3.26Å; T409-A411 VanDerWaalsContact C-N 3.32Å; T409-A411 PolarHBondContact O-N 2.96Å; T409-H412 PolarHBondContact O-N 3.25Å; T409-L414 WeakPolarHBondContact O-CB 3.42Å; T409-L414 PolarHBondContact O-N 2.85Å; T409-L414 VanDerWaalsContact O-N 3.1Å; T409-L416 HydrophobicContact CG2-CD1 4.5Å |
| 410 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -67.6 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M1 H26 R27 D406 H412 G413 | M1-A410 HydrophobicContact CB-CB 4.3Å; M1-A410 HydrophobicContact CE-CB 3.78Å; H26-A410 CarbonylContact C-O 3.51Å; H26-A410 VanDerWaalsContact O-O 3.06Å; R27-A410 WeakPolarHBondContact CA-O 3.37Å; R27-A410 HydrophobicContact CB-CB 4.42Å; R27-A410 HydrophobicContact CG-CB 4.06Å; R27-A410 VanDerWaalsContact NH1-CB 3.26Å; D406-A410 WeakPolarHBondContact O-CB 3.27Å; D406-A410 PolarHBondContact O-N 3.45Å; A410-H412 PolarHBondContact O-N 3.08Å; A410-G413 PolarHBondContact O-N 2.85Å |
| 411 | A | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 5 Ų | 5 | 11% | 0.107 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y346 R407 T409 | Y346-A411 HydrophobicContact CD2-CB 3.97Å; Y346-A411 HydrophobicContact CE2-CB 3.57Å; R407-A411 VanDerWaalsContact O-CB 3.28Å; R407-A411 WeakPolarHBondContact O-CB 3.47Å; R407-A411 PolarHBondContact O-N 2.87Å; T409-A411 VanDerWaalsContact C-N 3.32Å; T409-A411 PolarHBondContact O-N 2.96Å |
| 412 | H | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 4 Ų | 4 | 12% | 0.116 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 18.2 | 179.2 | -59.4 | -58.9 | 0 | 0 | 0 | 113.6 | Y346 K350 R353 T409 A410 L414 | Y346-H412 AromaticContact CD1-NE2 3.76Å; Y346-H412 AromaticContact CD2-NE2 3.58Å; Y346-H412 AromaticContact CE1-CE1 3.96Å; Y346-H412 AromaticContact CE1-NE2 3.57Å; Y346-H412 AromaticContact CE2-CE1 3.92Å; Y346-H412 AromaticContact CE2-NE2 3.36Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.45Å; Y346-H412 AromaticContact CG-NE2 3.77Å; Y346-H412 AromaticContact CZ-CE1 3.59Å; Y346-H412 AromaticContact CZ-NE2 3.35Å; Y346-H412 VanDerWaalsContact CZ-NE2 3.35Å; Y346-H412 PolarHBondContact O-CD2 2.73Å; Y346-H412 PolarHBondContact O-NE2 2.83Å; K350-H412 PolarHBondContact N-CD2 3.49Å; R353-H412 HydrophobicContact CB-CB 4.02Å; R353-H412 WeakPolarHBondContact CB-O 3.41Å; R353-H412 WeakPolarHBondContact CD-O 3.28Å; R353-H412 HydrophobicContact CG-CB 4.48Å; R353-H412 VanDerWaalsContact CG-O 3.24Å; R353-H412 WeakPolarHBondContact CG-O 3.39Å; R353-H412 PolarHBondContact NH1-O 2.88Å; T409-H412 PolarHBondContact O-N 3.25Å; A410-H412 PolarHBondContact O-N 3.08Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 PolarHBondContact O-N 2.77Å |
| 413 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H26 R27 L50 A410 | H26-G413 VanDerWaalsContact O-CA 3.31Å; H26-G413 WeakPolarHBondContact O-CA 3.27Å; H26-G413 PolarHBondContact O-N 2.94Å; R27-G413 WeakPolarHBondContact O-CA 3.47Å; L50-G413 VanDerWaalsContact CD1-O 3.29Å; L50-G413 WeakPolarHBondContact CD1-O 3.2Å; L50-G413 WeakPolarHBondContact CD2-O 3.32Å; A410-G413 PolarHBondContact O-N 2.85Å |
| 414 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | -103.5 | 158.3 | 174.1 | -54.7 | 176.3 | 0 | 0 | 0 | 110.4 | M1 S349 I352 R353 S358 I361 T409 H412 | M1-L414 WeakPolarHBondContact CG-O 3.42Å; M1-L414 PolarHBondContact N-O 2.86Å; S349-L414 WeakPolarHBondContact O-CD1 3.37Å; I352-L414 HydrophobicContact CB-CD1 3.81Å; I352-L414 HydrophobicContact CD1-CD1 4.28Å; I352-L414 HydrophobicContact CG2-CD1 3.69Å; I352-L414 HydrophobicContact CG2-CD2 3.9Å; I352-L414 HydrophobicContact CG2-CG 4.48Å; R353-L414 HydrophobicContact CB-CD2 4.35Å; S358-L414 WeakPolarHBondContact O-CD2 3.12Å; I361-L414 HydrophobicContact CG1-CB 4.19Å; I361-L414 HydrophobicContact CG1-CD1 4.17Å; T409-L414 WeakPolarHBondContact O-CB 3.42Å; T409-L414 PolarHBondContact O-N 2.85Å; T409-L414 VanDerWaalsContact O-N 3.1Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 PolarHBondContact O-N 2.77Å | ||
| 415 | E | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 3.7 Ų | 3.7 | 2% | 0.023 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122 | 175 | 179 | -179.8 | 92.3 | 0 | 0 | 112.4 | M1 L50 V52 E77 R143 V359 V360 I361 R417 | M1-E415 HydrophobicContact CG-CB 4.14Å; M1-E415 HydrophobicContact CG-CG 4.05Å; L50-E415 HydrophobicContact CD2-CB 4.07Å; V52-E415 HydrophobicContact CG2-CB 4.34Å; E77-E415 WeakPolarHBondContact CG-OE2 3.4Å; R143-E415 IonicContact NH2-OE2 3.04Å; V359-E415 PolarHBondContact O-N 2.79Å; V360-E415 CarbonylContact C-O 2.77Å; I361-E415 PolarHBondContact N-O 2.89Å; E415-R417 IonicContact OE1-CZ 3.74Å; E415-R417 IonicContact OE1-NE 3.68Å; E415-R417 PolarHBondContact OE1-NE 2.68Å; E415-R417 IonicContact OE1-NH2 3.71Å; E415-R417 PolarHBondContact OE1-NH2 2.72Å |
| 416 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135 | 173.2 | -178 | 74.4 | 0 | 0 | 0 | 112.4 | M1 R143 M345 I361 A405 T409 V418 | M1-L416 HydrophobicContact CE-CB 3.94Å; M1-L416 HydrophobicContact SD-CB 4.35Å; R143-L416 PolarHBondContact NH1-O 3.44Å; R143-L416 VanDerWaalsContact NH1-O 3.09Å; R143-L416 PolarHBondContact NH2-O 3.19Å; M345-L416 HydrophobicContact CE-CD1 4.39Å; I361-L416 WeakPolarHBondContact O-CA 3.5Å; A405-L416 HydrophobicContact CB-CD1 4.16Å; A405-L416 HydrophobicContact CB-CD2 3.39Å; A405-L416 HydrophobicContact CB-CG 4.4Å; T409-L416 HydrophobicContact CG2-CD1 4.5Å; L416-V418 HydrophobicContact CD1-CG1 4.08Å; L416-V418 HydrophobicContact CD2-CG1 3.92Å; L416-V418 HydrophobicContact CG-CG1 3.94Å |
| 417 | R | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 4 Ų | 4 | 0% | 0.004 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.3 | 164.8 | -62.2 | -169.2 | -175.8 | -155.3 | -7.2 | 111.4 | E77 R246 M248 V360 I361 F362 S363 E415 | E77-R417 IonicContact OE1-NH2 2.67Å; E77-R417 IonicContact OE2-CZ 3.82Å; E77-R417 IonicContact OE2-NH2 3.89Å; E77-R417 PolarHBondContact OE2-NH2 3.13Å; R246-R417 WeakPolarHBondContact O-CD 3.07Å; R246-R417 PolarHBondContact O-NH1 3.41Å; M248-R417 VanDerWaalsContact O-CZ 3.24Å; M248-R417 PolarHBondContact O-NH1 3.35Å; M248-R417 PolarHBondContact O-NH2 3.45Å; V360-R417 VanDerWaalsContact CG1-CD 3.45Å; V360-R417 HydrophobicContact CG1-CG 3.91Å; I361-R417 PolarHBondContact O-N 2.93Å; F362-R417 WeakPolarHBondContact CA-O 3.37Å; F362-R417 HydrophobicContact CD1-CB 4.3Å; F362-R417 HydrophobicContact CD2-CB 4.28Å; F362-R417 HydrophobicContact CE1-CB 4.36Å; F362-R417 HydrophobicContact CE2-CB 4.34Å; F362-R417 HydrophobicContact CG-CB 4.29Å; F362-R417 HydrophobicContact CZ-CB 4.41Å; S363-R417 PolarHBondContact N-O 3.47Å; E415-R417 IonicContact OE1-CZ 3.74Å; E415-R417 IonicContact OE1-NE 3.68Å; E415-R417 PolarHBondContact OE1-NE 2.68Å; E415-R417 IonicContact OE1-NH2 3.71Å; E415-R417 PolarHBondContact OE1-NH2 2.72Å |
| 418 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | trans | -123.7 | 90.3 | -174.5 | -76.3 | 0 | 0 | 0 | 0 | 110 | V142 E365 L416 F420 L421 | V142-V418 HydrophobicContact CG1-CG2 3.81Å; V142-V418 HydrophobicContact CG2-CG2 4.07Å; E365-V418 HydrophobicContact CB-CG1 3.97Å; L416-V418 HydrophobicContact CD1-CG1 4.08Å; L416-V418 HydrophobicContact CD2-CG1 3.92Å; L416-V418 HydrophobicContact CG-CG1 3.94Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 3.41Å; V418-L421 HydrophobicContact CB-CD1 4.5Å; V418-L421 HydrophobicContact CG2-CB 4.27Å; V418-L421 HydrophobicContact CG2-CD1 3.95Å; V418-L421 HydrophobicContact CG2-CG 4.37Å; V418-L421 PolarHBondContact O-N 2.85Å | ||
| 419 | P | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | G | 310 helix | trans | -67.7 | -23.6 | -174.7 | 27 | -35.3 | 0 | 0 | 0 | 114.1 | F239 A242 V243 V266 F362 S363 L421 D422 | F239-P419 HydrophobicContact CE2-CB 4.39Å; F239-P419 HydrophobicContact CE2-CG 4.36Å; F239-P419 HydrophobicContact CZ-CG 4.45Å; A242-P419 HydrophobicContact CB-CB 4.09Å; A242-P419 WeakPolarHBondContact CB-O 3.33Å; V243-P419 HydrophobicContact CG2-CB 3.69Å; V243-P419 HydrophobicContact CG2-CG 3.91Å; V266-P419 HydrophobicContact CG1-CG 4.13Å; V266-P419 HydrophobicContact CG2-CG 3.72Å; F362-P419 HydrophobicContact CD1-CG 4.45Å; S363-P419 WeakPolarHBondContact O-CD 3.43Å; P419-L421 PolarHBondContact O-N 3.3Å; P419-D422 VanDerWaalsContact O-CB 3.26Å; P419-D422 WeakPolarHBondContact O-CB 3.45Å; P419-D422 PolarHBondContact O-N 2.76Å; P419-D422 VanDerWaalsContact O-N 3.1Å |
| 420 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -64.6 | -20.7 | 174.9 | -80.5 | -79 | 0 | 0 | 0 | 113.5 | F239 D262 V266 S367 V418 D422 F425 T426 L448 | F239-F420 HydrophobicContact CD2-CD1 4.32Å; F239-F420 HydrophobicContact CD2-CE1 4.16Å; F239-F420 HydrophobicContact CD2-CZ 4.43Å; F239-F420 AromaticContact CE2-CD1 3.76Å; F239-F420 HydrophobicContact CE2-CD1 3.76Å; F239-F420 AromaticContact CE2-CD2 3.78Å; F239-F420 HydrophobicContact CE2-CD2 3.78Å; F239-F420 AromaticContact CE2-CE1 3.56Å; F239-F420 HydrophobicContact CE2-CE1 3.56Å; F239-F420 AromaticContact CE2-CE2 3.61Å; F239-F420 HydrophobicContact CE2-CE2 3.61Å; F239-F420 AromaticContact CE2-CG 3.85Å; F239-F420 HydrophobicContact CE2-CG 3.85Å; F239-F420 AromaticContact CE2-CZ 3.48Å; F239-F420 HydrophobicContact CE2-CZ 3.48Å; F239-F420 VanDerWaalsContact CE2-CZ 3.48Å; F239-F420 HydrophobicContact CZ-CD2 4.16Å; F239-F420 HydrophobicContact CZ-CE1 4.13Å; F239-F420 AromaticContact CZ-CE2 3.61Å; F239-F420 HydrophobicContact CZ-CE2 3.61Å; F239-F420 AromaticContact CZ-CZ 3.58Å; F239-F420 HydrophobicContact CZ-CZ 3.58Å; D262-F420 HydrophobicContact CB-CE2 3.78Å; D262-F420 HydrophobicContact CB-CZ 4.14Å; V266-F420 HydrophobicContact CG2-CD2 4.06Å; V266-F420 HydrophobicContact CG2-CE2 3.71Å; S367-F420 WeakPolarHBondContact OG-CE1 3.44Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 3.41Å; F420-D422 VanDerWaalsContact C-N 3.34Å; F420-F425 AromaticContact CD1-CE1 3.73Å; F420-F425 HydrophobicContact CD1-CE1 3.73Å; F420-F425 HydrophobicContact CD1-CZ 4.33Å; F420-F425 HydrophobicContact CE1-CE1 4.28Å; F420-F425 HydrophobicContact CE1-CZ 4.44Å; F420-T426 WeakPolarHBondContact O-CG2 3.34Å; F420-L448 HydrophobicContact CE1-CD1 4.25Å; F420-L448 HydrophobicContact CE1-CD2 3.89Å; F420-L448 HydrophobicContact CZ-CD2 4.18Å |
| 421 | L | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -96.2 | 19 | 175.5 | -60.8 | -178.5 | 0 | 0 | 0 | 112.9 | Y140 V142 L394 L397 V402 V418 P419 H423 | Y140-L421 HydrophobicContact CD1-CD2 4.44Å; Y140-L421 HydrophobicContact CD2-CB 3.93Å; Y140-L421 HydrophobicContact CD2-CD2 4.32Å; Y140-L421 HydrophobicContact CE2-CB 4.42Å; Y140-L421 HydrophobicContact CG-CB 4.46Å; Y140-L421 HydrophobicContact CG-CD2 4.22Å; V142-L421 HydrophobicContact CG2-CD1 3.87Å; L394-L421 HydrophobicContact CD2-CD2 4.02Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.59Å; L397-L421 HydrophobicContact CD1-CG 4.41Å; V402-L421 HydrophobicContact CG2-CD1 3.71Å; V418-L421 HydrophobicContact CB-CD1 4.5Å; V418-L421 HydrophobicContact CG2-CB 4.27Å; V418-L421 HydrophobicContact CG2-CD1 3.95Å; V418-L421 HydrophobicContact CG2-CG 4.37Å; V418-L421 PolarHBondContact O-N 2.85Å; P419-L421 PolarHBondContact O-N 3.3Å; L421-H423 PolarHBondContact O-N 3.35Å |
| 422 | D | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -64.7 | 129.7 | 171.3 | -176.9 | -88.4 | 0 | 0 | 0 | 111.4 | A242 K245 R246 P419 F420 R424 F425 T426 | A242-D422 HydrophobicContact CB-CB 3.4Å; K245-D422 WeakPolarHBondContact CD-OD2 3.11Å; K245-D422 VanDerWaalsContact CE-OD2 3.26Å; K245-D422 WeakPolarHBondContact CE-OD2 3.24Å; K245-D422 IonicContact NZ-OD1 3.73Å; K245-D422 PolarHBondContact NZ-OD1 3.08Å; K245-D422 IonicContact NZ-OD2 2.73Å; K245-D422 PolarHBondContact NZ-OD2 3.36Å; R246-D422 IonicContact CZ-OD2 2.76Å; R246-D422 IonicContact NH1-OD2 3.91Å; R246-D422 PolarHBondContact NH1-OD2 2.92Å; R246-D422 VanDerWaalsContact NH2-CA 3.32Å; R246-D422 IonicContact NH2-OD2 3.48Å; R246-D422 PolarHBondContact NH2-OD2 3.43Å; P419-D422 VanDerWaalsContact O-CB 3.26Å; P419-D422 WeakPolarHBondContact O-CB 3.45Å; P419-D422 PolarHBondContact O-N 2.76Å; P419-D422 VanDerWaalsContact O-N 3.1Å; F420-D422 VanDerWaalsContact C-N 3.34Å; D422-R424 VanDerWaalsContact C-N 3.31Å; D422-R424 PolarHBondContact O-N 3.29Å; D422-R424 PolarHBondContact OD1-N 3.49Å; D422-R424 VanDerWaalsContact OD1-N 3.13Å; D422-F425 HydrophobicContact CB-CB 3.95Å; D422-F425 PolarHBondContact O-N 3.28Å; D422-F425 VanDerWaalsContact O-N 3.11Å; D422-F425 PolarHBondContact OD1-N 3.33Å; D422-T426 WeakPolarHBondContact O-CG2 3.38Å; D422-T426 PolarHBondContact O-N 3.09Å; D422-T426 PolarHBondContact O-OG1 2.88Å | ||
| 423 | H | 95.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 9 Ų | 9 | 4% | 0.037 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.9 | -41.7 | -171.9 | -59.1 | 139.5 | 0 | 0 | 0 | 113.4 | D118 G119 T139 P211 H213 L421 T426 S427 | D118-H423 IonicContact OD1-ND1 3.89Å; D118-H423 PolarHBondContact OD1-ND1 2.93Å; G119-H423 PolarHBondContact O-CE1 3.15Å; T139-H423 WeakPolarHBondContact CB-NE2 3.49Å; T139-H423 PolarHBondContact OG1-CD2 2.88Å; T139-H423 PolarHBondContact OG1-NE2 3.11Å; P211-H423 HydrophobicContact CB-CB 4.33Å; P211-H423 HydrophobicContact CG-CB 3.85Å; H213-H423 AromaticContact CE1-ND1 3.77Å; H213-H423 AromaticContact NE2-CG 3.68Å; H213-H423 AromaticContact NE2-ND1 3.11Å; H213-H423 PolarHBondContact NE2-ND1 3.06Å; H213-H423 VanDerWaalsContact NE2-ND1 3.11Å; L421-H423 PolarHBondContact O-N 3.35Å; H423-T426 PolarHBondContact O-OG1 3.41Å; H423-T426 VanDerWaalsContact O-OG1 3.12Å; H423-S427 VanDerWaalsContact O-CB 3.25Å; H423-S427 WeakPolarHBondContact O-CB 3.26Å; H423-S427 PolarHBondContact O-N 2.78Å; H423-S427 PolarHBondContact O-OG 2.95Å |
| 424 | R | 94.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 9.6 Ų | 9.6 | 5% | 0.053 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -76.3 | -37.3 | 179.9 | -72.2 | -176.1 | 79.6 | -165.8 | 5.7 | 111.7 | E210 P211 A214 D217 V219 L238 D422 Y428 | E210-R424 IonicContact OE1-NE 3.79Å; E210-R424 IonicContact OE1-NH2 2.92Å; P211-R424 HydrophobicContact CG-CG 4.03Å; A214-R424 HydrophobicContact CB-CG 3.94Å; D217-R424 IonicContact OD1-NH1 3.57Å; D217-R424 WeakPolarHBondContact OD2-CD 3.45Å; D217-R424 IonicContact OD2-CZ 2.72Å; D217-R424 IonicContact OD2-NE 2.98Å; D217-R424 IonicContact OD2-NH1 3.59Å; D217-R424 PolarHBondContact OD2-NH1 3.25Å; V219-R424 PolarHBondContact O-NH1 3.06Å; V219-R424 PolarHBondContact O-NH2 3.47Å; L238-R424 HydrophobicContact CD2-CB 4.2Å; D422-R424 VanDerWaalsContact C-N 3.31Å; D422-R424 PolarHBondContact O-N 3.29Å; D422-R424 PolarHBondContact OD1-N 3.49Å; D422-R424 VanDerWaalsContact OD1-N 3.13Å; R424-Y428 VanDerWaalsContact O-CB 3.26Å; R424-Y428 WeakPolarHBondContact O-CB 3.32Å; R424-Y428 PolarHBondContact O-N 2.98Å |
| 425 | F | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.8 | -178.1 | -105.2 | 0 | 0 | 0 | 111.5 | I235 L238 F239 L370 F420 D422 Y429 | I235-F425 HydrophobicContact CG2-CE2 4.07Å; I235-F425 HydrophobicContact CG2-CZ 4.48Å; L238-F425 HydrophobicContact CB-CB 4.39Å; L238-F425 HydrophobicContact CB-CD2 3.85Å; F239-F425 HydrophobicContact CB-CD2 4.01Å; F239-F425 HydrophobicContact CB-CE2 3.74Å; F239-F425 HydrophobicContact CB-CZ 4.39Å; F239-F425 HydrophobicContact CD2-CD2 4.44Å; F239-F425 HydrophobicContact CD2-CE1 4.21Å; F239-F425 HydrophobicContact CD2-CE2 4.11Å; F239-F425 AromaticContact CD2-CZ 3.99Å; F239-F425 HydrophobicContact CD2-CZ 3.99Å; F239-F425 HydrophobicContact CG-CE2 4.37Å; L370-F425 HydrophobicContact CD2-CD1 3.73Å; L370-F425 HydrophobicContact CD2-CE1 3.43Å; L370-F425 VanDerWaalsContact CD2-CE1 3.43Å; L370-F425 HydrophobicContact CD2-CZ 4.44Å; F420-F425 AromaticContact CD1-CE1 3.73Å; F420-F425 HydrophobicContact CD1-CE1 3.73Å; F420-F425 HydrophobicContact CD1-CZ 4.33Å; F420-F425 HydrophobicContact CE1-CE1 4.28Å; F420-F425 HydrophobicContact CE1-CZ 4.44Å; D422-F425 HydrophobicContact CB-CB 3.95Å; D422-F425 PolarHBondContact O-N 3.28Å; D422-F425 VanDerWaalsContact O-N 3.11Å; D422-F425 PolarHBondContact OD1-N 3.33Å; F425-Y429 HydrophobicContact CZ-CD2 4.45Å; F425-Y429 WeakPolarHBondContact O-CB 3.39Å; F425-Y429 PolarHBondContact O-N 2.65Å |
| 426 | T | 97 | Very high | 97 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | Y140 L370 F420 D422 H423 Y428 Y429 L430 | Y140-T426 HydrophobicContact CE2-CG2 4.03Å; Y140-T426 WeakPolarHBondContact OH-CB 3.34Å; Y140-T426 PolarHBondContact OH-OG1 3.07Å; L370-T426 HydrophobicContact CD1-CG2 4.08Å; L370-T426 HydrophobicContact CD2-CG2 4.02Å; F420-T426 WeakPolarHBondContact O-CG2 3.34Å; D422-T426 WeakPolarHBondContact O-CG2 3.38Å; D422-T426 PolarHBondContact O-N 3.09Å; D422-T426 PolarHBondContact O-OG1 2.88Å; H423-T426 PolarHBondContact O-OG1 3.41Å; H423-T426 VanDerWaalsContact O-OG1 3.12Å; T426-Y428 VanDerWaalsContact C-N 3.31Å; T426-Y428 PolarHBondContact O-N 2.9Å; T426-Y429 PolarHBondContact O-N 2.83Å; T426-L430 WeakPolarHBondContact O-CB 3.36Å; T426-L430 VanDerWaalsContact O-CG 3.27Å; T426-L430 WeakPolarHBondContact O-CG 3.31Å; T426-L430 PolarHBondContact O-N 2.84Å |
| 427 | S | 95.1 | Very high | 97 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | D209 H423 S431 | D209-S427 WeakPolarHBondContact O-CB 3.31Å; D209-S427 PolarHBondContact O-OG 2.94Å; H423-S427 VanDerWaalsContact O-CB 3.25Å; H423-S427 WeakPolarHBondContact O-CB 3.26Å; H423-S427 PolarHBondContact O-N 2.78Å; H423-S427 PolarHBondContact O-OG 2.95Å; S427-S431 WeakPolarHBondContact O-CB 3.19Å; S427-S431 PolarHBondContact O-N 2.83Å |
| 428 | Y | 95.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 18.6 Ų | 18.6 | 11% | 0.11 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.7 | -51.2 | 176 | 179.4 | -102.9 | 0 | 0 | 0 | 111.8 | L222 V231 N234 I235 L238 R424 T426 L430 S431 L432 | L222-Y428 HydrophobicContact CD1-CD2 4.1Å; L222-Y428 HydrophobicContact CD1-CE2 4.44Å; V231-Y428 WeakPolarHBondContact CA-OH 3.46Å; N234-Y428 HydrophobicContact CB-CD1 4.31Å; N234-Y428 HydrophobicContact CB-CE1 3.51Å; N234-Y428 HydrophobicContact CB-CE2 4.02Å; N234-Y428 WeakPolarHBondContact CB-OH 2.97Å; N234-Y428 PolarHBondContact ND2-OH 2.75Å; N234-Y428 VanDerWaalsContact ND2-OH 3.11Å; I235-Y428 HydrophobicContact CG1-CE1 4.13Å; L238-Y428 HydrophobicContact CD1-CD1 3.65Å; L238-Y428 HydrophobicContact CD1-CD2 4.18Å; L238-Y428 HydrophobicContact CD1-CG 3.42Å; L238-Y428 VanDerWaalsContact CD1-CG 3.42Å; R424-Y428 VanDerWaalsContact O-CB 3.26Å; R424-Y428 WeakPolarHBondContact O-CB 3.32Å; R424-Y428 PolarHBondContact O-N 2.98Å; T426-Y428 VanDerWaalsContact C-N 3.31Å; T426-Y428 PolarHBondContact O-N 2.9Å; Y428-L430 VanDerWaalsContact C-N 3.31Å; Y428-L430 PolarHBondContact O-N 3.13Å; Y428-S431 WeakPolarHBondContact O-CB 3.49Å; Y428-S431 PolarHBondContact O-N 3.28Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.95Å; Y428-L432 HydrophobicContact CE1-CD2 4.06Å; Y428-L432 PolarHBondContact O-N 3.2Å |
| 429 | Y | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | -178.3 | -159.5 | -78.5 | 0 | 0 | 0 | 111.1 | I235 L370 T371 F425 T426 S431 L432 R437 L447 | I235-Y429 HydrophobicContact CD1-CD2 4.11Å; I235-Y429 HydrophobicContact CD1-CE2 3.93Å; I235-Y429 HydrophobicContact CG1-CD2 4.31Å; L370-Y429 HydrophobicContact CD1-CD1 4.28Å; L370-Y429 HydrophobicContact CD1-CG 4.48Å; L370-Y429 HydrophobicContact CD2-CG 4.21Å; L370-Y429 HydrophobicContact CG-CD1 3.96Å; L370-Y429 HydrophobicContact CG-CG 4.1Å; T371-Y429 HydrophobicContact CG2-CD1 4.47Å; T371-Y429 HydrophobicContact CG2-CD2 4.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.89Å; T371-Y429 HydrophobicContact CG2-CE2 3.83Å; F425-Y429 HydrophobicContact CZ-CD2 4.45Å; F425-Y429 WeakPolarHBondContact O-CB 3.39Å; F425-Y429 PolarHBondContact O-N 2.65Å; T426-Y429 PolarHBondContact O-N 2.83Å; Y429-S431 VanDerWaalsContact C-N 3.29Å; Y429-S431 PolarHBondContact O-N 3.44Å; Y429-L432 HydrophobicContact CD2-CD1 4.34Å; Y429-L432 HydrophobicContact CG-CD1 4.36Å; Y429-L432 WeakPolarHBondContact O-CB 3.43Å; Y429-L432 WeakPolarHBondContact O-CG 3.24Å; Y429-L432 PolarHBondContact O-N 2.89Å; Y429-R437 HydrophobicContact CD1-CG 4.17Å; Y429-R437 HydrophobicContact CE1-CB 4.23Å; Y429-R437 VanDerWaalsContact CE1-CD 3.49Å; Y429-R437 HydrophobicContact CE1-CG 3.64Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.45Å; Y429-L447 HydrophobicContact CE2-CD2 4.33Å |
| 430 | L | 96.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.068 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69 | -24.2 | 177.3 | -68.9 | 172.8 | 0 | 0 | 0 | 113.6 | Y207 L370 L394 T426 Y428 L432 | Y207-L430 VanDerWaalsContact O-CD1 3.29Å; Y207-L430 WeakPolarHBondContact O-CD1 3.14Å; L370-L430 HydrophobicContact CD1-CD1 4.3Å; L370-L430 HydrophobicContact CD1-CD2 3.95Å; L370-L430 HydrophobicContact CD1-CG 3.75Å; L394-L430 HydrophobicContact CD1-CD1 3.78Å; L394-L430 HydrophobicContact CD1-CD2 4.04Å; L394-L430 HydrophobicContact CD1-CG 4.38Å; T426-L430 WeakPolarHBondContact O-CB 3.36Å; T426-L430 VanDerWaalsContact O-CG 3.27Å; T426-L430 WeakPolarHBondContact O-CG 3.31Å; T426-L430 PolarHBondContact O-N 2.84Å; Y428-L430 VanDerWaalsContact C-N 3.31Å; Y428-L430 PolarHBondContact O-N 3.13Å; L430-L432 VanDerWaalsContact C-N 3.27Å; L430-L432 PolarHBondContact O-N 2.66Å |
| 431 | S | 94.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 30 Ų | 30 | 40% | 0.399 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -74.3 | -15.8 | 174.5 | 79.4 | 0 | 0 | 0 | 0 | 113.8 | S427 Y428 Y429 | S427-S431 WeakPolarHBondContact O-CB 3.19Å; S427-S431 PolarHBondContact O-N 2.83Å; Y428-S431 WeakPolarHBondContact O-CB 3.49Å; Y428-S431 PolarHBondContact O-N 3.28Å; Y428-S431 VanDerWaalsContact O-N 3.1Å; Y428-S431 PolarHBondContact O-OG 2.95Å; Y429-S431 VanDerWaalsContact C-N 3.29Å; Y429-S431 PolarHBondContact O-N 3.44Å |
| 432 | L | 96.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -65.7 | 144.1 | 179.4 | -60.6 | 177.2 | 0 | 0 | 0 | 111.1 | F226 V231 I235 Y428 Y429 L430 A434 R437 L447 | F226-L432 HydrophobicContact CD1-CD2 3.69Å; F226-L432 HydrophobicContact CE1-CD2 3.84Å; V231-L432 HydrophobicContact CG1-CD1 3.84Å; V231-L432 HydrophobicContact CG1-CD2 3.86Å; V231-L432 HydrophobicContact CG2-CD2 3.91Å; I235-L432 HydrophobicContact CD1-CD1 4.48Å; Y428-L432 HydrophobicContact CE1-CD2 4.06Å; Y428-L432 PolarHBondContact O-N 3.2Å; Y429-L432 HydrophobicContact CD2-CD1 4.34Å; Y429-L432 HydrophobicContact CG-CD1 4.36Å; Y429-L432 WeakPolarHBondContact O-CB 3.43Å; Y429-L432 WeakPolarHBondContact O-CG 3.24Å; Y429-L432 PolarHBondContact O-N 2.89Å; L430-L432 VanDerWaalsContact C-N 3.27Å; L430-L432 PolarHBondContact O-N 2.66Å; L432-A434 PolarHBondContact O-N 3.47Å; L432-R437 HydrophobicContact CB-CG 4.24Å; L432-R437 PolarHBondContact O-NE 3.49Å; L432-L447 HydrophobicContact CD1-CD2 3.65Å |
| 433 | P | 96.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 34 Ų | 34 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | trans | -46.6 | 134.8 | 168.1 | -26.8 | 32.4 | 0 | 0 | 0 | 111.4 | F226 E435 L436 | F226-P433 HydrophobicContact CB-CG 4.33Å; F226-P433 HydrophobicContact CD2-CG 4.14Å; F226-P433 HydrophobicContact CG-CG 4.1Å; P433-E435 WeakPolarHBondContact CB-OE2 3.34Å; P433-E435 PolarHBondContact O-N 3.38Å; P433-E435 VanDerWaalsContact O-N 3.16Å; P433-L436 HydrophobicContact CB-CD1 4.46Å; P433-L436 HydrophobicContact CB-CG 4.3Å; P433-L436 HydrophobicContact CG-CD1 4.24Å; P433-L436 WeakPolarHBondContact O-CB 3.34Å; P433-L436 PolarHBondContact O-N 3.2Å | ||
| 434 | A | 97.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -33 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P383 A387 L432 L436 R437 I438 | P383-A434 HydrophobicContact CB-CB 3.61Å; A387-A434 HydrophobicContact CB-CB 4.32Å; L432-A434 PolarHBondContact O-N 3.47Å; A434-L436 PolarHBondContact O-N 3.21Å; A434-R437 PolarHBondContact O-N 2.94Å; A434-I438 PolarHBondContact O-N 2.78Å |
| 435 | E | 97.4 | Very high | 95.9 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.8 | -18 | 179.4 | -51 | 87.9 | 160.4 | 0 | 0 | 113.8 | P383 P433 K440 | P383-E435 HydrophobicContact CB-CG 4.27Å; P383-E435 HydrophobicContact CG-CG 4.05Å; P433-E435 WeakPolarHBondContact CB-OE2 3.34Å; P433-E435 PolarHBondContact O-N 3.38Å; P433-E435 VanDerWaalsContact O-N 3.16Å; E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.24Å; E435-K440 PolarHBondContact O-NZ 3.09Å |
| 436 | L | 97.1 | Very high | 96 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -82 | -22.8 | 172.1 | -63.5 | -175.2 | 0 | 0 | 0 | 112 | F226 V231 P433 A434 L447 | F226-L436 HydrophobicContact CB-CD1 4.44Å; V231-L436 HydrophobicContact CG2-CD1 4.45Å; P433-L436 HydrophobicContact CB-CD1 4.46Å; P433-L436 HydrophobicContact CB-CG 4.3Å; P433-L436 HydrophobicContact CG-CD1 4.24Å; P433-L436 WeakPolarHBondContact O-CB 3.34Å; P433-L436 PolarHBondContact O-N 3.2Å; A434-L436 PolarHBondContact O-N 3.21Å; L436-L447 HydrophobicContact CB-CD2 4.37Å |
| 437 | R | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -92.9 | -24.3 | -173.8 | -64.4 | -168.8 | -81.3 | 139.1 | -5 | 114.2 | Q372 A387 Y429 L432 A434 | Q372-R437 PolarHBondContact OE1-O 2.83Å; A387-R437 VanDerWaalsContact CB-NH2 3.26Å; Y429-R437 HydrophobicContact CD1-CG 4.17Å; Y429-R437 HydrophobicContact CE1-CB 4.23Å; Y429-R437 VanDerWaalsContact CE1-CD 3.49Å; Y429-R437 HydrophobicContact CE1-CG 3.64Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.45Å; L432-R437 HydrophobicContact CB-CG 4.24Å; L432-R437 PolarHBondContact O-NE 3.49Å; A434-R437 PolarHBondContact O-N 2.94Å |
| 438 | I | 97.2 | Very high | 96.2 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -61.1 | 150.8 | -179.7 | 60.8 | 173.9 | 0 | 0 | 0 | 112.4 | P383 A386 A434 | P383-I438 HydrophobicContact CB-CG2 3.86Å; P383-I438 HydrophobicContact CG-CD1 4.31Å; P383-I438 HydrophobicContact CG-CG2 4.19Å; A386-I438 HydrophobicContact CB-CG2 4.35Å; A434-I438 PolarHBondContact O-N 2.78Å |
| 439 | P | 95.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | trans | -52.3 | 140.3 | 167.9 | -25.2 | 34.2 | 0 | 0 | 0 | 112 | F377 H378 I443 | F377-P439 HydrophobicContact CB-CG 4.24Å; H378-P439 VanDerWaalsContact CE1-CB 3.46Å; H378-P439 WeakPolarHBondContact CE1-CB 3.44Å; H378-P439 WeakPolarHBondContact ND1-CB 3.49Å; P439-I443 WeakPolarHBondContact CA-O 3.26Å | ||
| 440 | K | 94.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -132.9 | 151.1 | 177.6 | -73.8 | -175.1 | -178.5 | 173.6 | 0 | 109.9 | E435 G442 I443 Y446 | E435-K440 VanDerWaalsContact O-CE 3.29Å; E435-K440 WeakPolarHBondContact O-CE 3.24Å; E435-K440 PolarHBondContact O-NZ 3.09Å; K440-G442 PolarHBondContact O-N 3.21Å; K440-G442 VanDerWaalsContact O-N 3.15Å; K440-I443 PolarHBondContact N-O 2.76Å; K440-I443 VanDerWaalsContact O-CG2 3.29Å; K440-I443 WeakPolarHBondContact O-CG2 3.4Å; K440-I443 PolarHBondContact O-N 3.34Å; K440-I443 VanDerWaalsContact O-O 3.13Å; K440-Y446 HydrophobicContact CB-CD1 3.93Å; K440-Y446 HydrophobicContact CB-CD2 4.21Å; K440-Y446 HydrophobicContact CB-CE1 4.41Å; K440-Y446 HydrophobicContact CB-CG 3.82Å; K440-Y446 HydrophobicContact CD-CD1 4.35Å |
| 441 | N | 92.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 34.8 Ų | 34.8 | 74% | 0.738 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.4 | 178.5 | -58.1 | -22.2 | 0 | 0 | 0 | 113.8 | I443 Y446 | N441-I443 PolarHBondContact O-N 3.16Å; N441-Y446 HydrophobicContact CB-CE2 4.33Å; N441-Y446 PolarHBondContact ND2-OH 2.98Å |
| 442 | G | 90.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 32.2 Ų | 32.2 | 71% | 0.711 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 10.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K440 | K440-G442 PolarHBondContact O-N 3.21Å; K440-G442 VanDerWaalsContact O-N 3.15Å |
| 443 | I | 94.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 133.6 | 178.9 | -169.8 | 153.6 | 0 | 0 | 0 | 111.9 | P439 K440 N441 Y446 W464 | P439-I443 WeakPolarHBondContact CA-O 3.26Å; K440-I443 PolarHBondContact N-O 2.76Å; K440-I443 VanDerWaalsContact O-CG2 3.29Å; K440-I443 WeakPolarHBondContact O-CG2 3.4Å; K440-I443 PolarHBondContact O-N 3.34Å; K440-I443 VanDerWaalsContact O-O 3.13Å; N441-I443 PolarHBondContact O-N 3.16Å; I443-Y446 HydrophobicContact CG2-CD2 3.55Å; I443-Y446 HydrophobicContact CG2-CE2 4.32Å; I443-Y446 HydrophobicContact CG2-CG 4.5Å; I443-W464 HydrophobicContact CD1-CE3 4.02Å; I443-W464 VanDerWaalsContact CD1-O 3.26Å; I443-W464 WeakPolarHBondContact CD1-O 3.44Å; I443-W464 HydrophobicContact CG2-CE3 4.33Å; I443-W464 HydrophobicContact CG2-CZ3 4.11Å |
| 444 | E | 96.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 158.3 | 174.2 | 73.7 | -61.2 | 151.4 | 0 | 0 | 112 | G373 H378 Y446 R449 K467 | G373-E444 WeakPolarHBondContact O-CG 3.28Å; H378-E444 IonicContact NE2-OE2 3.93Å; E444-Y446 PolarHBondContact O-N 3.15Å; E444-Y446 VanDerWaalsContact O-N 3.13Å; E444-R449 PolarHBondContact O-NE 3.18Å; E444-R449 IonicContact OE1-CZ 2.69Å; E444-R449 IonicContact OE1-NH2 3.5Å; E444-R449 PolarHBondContact OE1-NH2 2.87Å; E444-K467 HydrophobicContact CG-CB 3.89Å; E444-K467 WeakPolarHBondContact OE1-CB 3.47Å; E444-K467 PolarHBondContact OE1-N 2.84Å |
| 445 | K | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 29.5 | -179.6 | -47.5 | -179.1 | 179.2 | 166.6 | 0 | 113.5 | L261 D262 D368 T371 G373 L447 L448 R449 | L261-K445 HydrophobicContact CD2-CB 4.02Å; L261-K445 HydrophobicContact CD2-CD 3.86Å; D262-K445 IonicContact OD1-NZ 2.95Å; D262-K445 PolarHBondContact OD1-NZ 2.75Å; D262-K445 IonicContact OD2-NZ 3.95Å; D262-K445 PolarHBondContact OD2-NZ 3.01Å; D368-K445 VanDerWaalsContact CG-NZ 3.28Å; D368-K445 WeakPolarHBondContact OD1-CE 3.21Å; D368-K445 IonicContact OD1-NZ 3.69Å; D368-K445 PolarHBondContact OD1-NZ 3.12Å; D368-K445 IonicContact OD2-NZ 3.39Å; T371-K445 WeakPolarHBondContact OG1-CD 3.08Å; T371-K445 VanDerWaalsContact OG1-CG 3.28Å; T371-K445 WeakPolarHBondContact OG1-CG 3.31Å; G373-K445 VanDerWaalsContact CA-CE 3.4Å; K445-L447 VanDerWaalsContact C-N 3.3Å; K445-L447 PolarHBondContact O-N 3.47Å; K445-L448 HydrophobicContact CB-CB 4.19Å; K445-L448 HydrophobicContact CD-CD2 4.4Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 2.9Å; K445-R449 WeakPolarHBondContact O-CG 3.28Å; K445-R449 PolarHBondContact O-N 3.38Å |
| 446 | Y | 97.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.1 | -47 | -173.8 | -174.3 | -95.1 | 0 | 0 | 0 | 112.1 | K440 N441 I443 E444 L448 R449 Q450 W464 | K440-Y446 HydrophobicContact CB-CD1 3.93Å; K440-Y446 HydrophobicContact CB-CD2 4.21Å; K440-Y446 HydrophobicContact CB-CE1 4.41Å; K440-Y446 HydrophobicContact CB-CG 3.82Å; K440-Y446 HydrophobicContact CD-CD1 4.35Å; N441-Y446 HydrophobicContact CB-CE2 4.33Å; N441-Y446 PolarHBondContact ND2-OH 2.98Å; I443-Y446 HydrophobicContact CG2-CD2 3.55Å; I443-Y446 HydrophobicContact CG2-CE2 4.32Å; I443-Y446 HydrophobicContact CG2-CG 4.5Å; E444-Y446 PolarHBondContact O-N 3.15Å; E444-Y446 VanDerWaalsContact O-N 3.13Å; Y446-L448 PolarHBondContact O-N 3.21Å; Y446-R449 PolarHBondContact O-N 3.47Å; Y446-Q450 HydrophobicContact CD1-CG 4.06Å; Y446-Q450 HydrophobicContact CE1-CG 3.71Å; Y446-Q450 WeakPolarHBondContact O-CG 3.27Å; Y446-Q450 PolarHBondContact O-N 2.76Å; Y446-Q450 PolarHBondContact OH-NE2 3.32Å; Y446-W464 HydrophobicContact CD2-CH2 4.06Å; Y446-W464 AromaticContact CD2-CZ3 3.68Å; Y446-W464 HydrophobicContact CD2-CZ3 3.68Å; Y446-W464 AromaticContact CE2-CH2 3.77Å; Y446-W464 HydrophobicContact CE2-CH2 3.77Å; Y446-W464 AromaticContact CE2-CZ3 3.7Å; Y446-W464 HydrophobicContact CE2-CZ3 3.7Å |
| 447 | L | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.2 | -179.4 | 62.4 | 0 | 0 | 0 | 112.8 | L228 V231 I235 Y429 L432 L436 K445 S451 | L228-L447 HydrophobicContact CD1-CD1 3.83Å; V231-L447 HydrophobicContact CG1-CD1 4.03Å; V231-L447 HydrophobicContact CG1-CD2 3.95Å; V231-L447 HydrophobicContact CG1-CG 4.44Å; I235-L447 HydrophobicContact CD1-CD1 4.37Å; I235-L447 HydrophobicContact CD1-CD2 3.84Å; I235-L447 HydrophobicContact CD1-CG 3.77Å; Y429-L447 HydrophobicContact CE2-CD2 4.33Å; L432-L447 HydrophobicContact CD1-CD2 3.65Å; L436-L447 HydrophobicContact CB-CD2 4.37Å; K445-L447 VanDerWaalsContact C-N 3.3Å; K445-L447 PolarHBondContact O-N 3.47Å; L447-S451 WeakPolarHBondContact O-CB 3.23Å; L447-S451 PolarHBondContact O-N 3.26Å; L447-S451 PolarHBondContact O-OG 2.79Å |
| 448 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 176.4 | -176.2 | 67.1 | 0 | 0 | 0 | 110.6 | I235 L261 L265 T371 F420 K445 Y446 S451 F452 | I235-L448 HydrophobicContact CG2-CD1 4.13Å; L261-L448 HydrophobicContact CD2-CD2 3.99Å; L261-L448 HydrophobicContact CD2-CG 4.49Å; L265-L448 HydrophobicContact CD1-CD1 4.34Å; L265-L448 HydrophobicContact CD1-CD2 4.07Å; L265-L448 HydrophobicContact CD1-CG 4Å; T371-L448 HydrophobicContact CG2-CD2 4.35Å; F420-L448 HydrophobicContact CE1-CD1 4.25Å; F420-L448 HydrophobicContact CE1-CD2 3.89Å; F420-L448 HydrophobicContact CZ-CD2 4.18Å; K445-L448 HydrophobicContact CB-CB 4.19Å; K445-L448 HydrophobicContact CD-CD2 4.4Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 2.9Å; Y446-L448 PolarHBondContact O-N 3.21Å; L448-S451 WeakPolarHBondContact O-CB 3.46Å; L448-S451 PolarHBondContact O-N 2.91Å; L448-F452 HydrophobicContact CD1-CD2 4.3Å; L448-F452 HydrophobicContact CD1-CE2 3.81Å; L448-F452 WeakPolarHBondContact O-CD2 3.39Å |
| 449 | R | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 178.3 | -63.1 | 172.1 | -172.1 | -87.2 | 6.3 | 111.5 | L261 E444 K445 Y446 S451 F452 E453 L463 W464 R465 | L261-R449 HydrophobicContact CD1-CG 4.18Å; L261-R449 HydrophobicContact CD2-CG 3.54Å; E444-R449 PolarHBondContact O-NE 3.18Å; E444-R449 IonicContact OE1-CZ 2.69Å; E444-R449 IonicContact OE1-NH2 3.5Å; E444-R449 PolarHBondContact OE1-NH2 2.87Å; K445-R449 WeakPolarHBondContact O-CG 3.28Å; K445-R449 PolarHBondContact O-N 3.38Å; Y446-R449 PolarHBondContact O-N 3.47Å; R449-S451 VanDerWaalsContact C-N 3.26Å; R449-S451 PolarHBondContact O-N 3.03Å; R449-F452 PolarHBondContact O-N 3.43Å; R449-F452 VanDerWaalsContact O-N 3.14Å; R449-E453 PolarHBondContact O-N 3.14Å; R449-L463 HydrophobicContact CB-CD1 4.39Å; R449-L463 WeakPolarHBondContact CD-O 3.3Å; R449-L463 VanDerWaalsContact CG-O 3.29Å; R449-L463 WeakPolarHBondContact CG-O 3.23Å; R449-L463 PolarHBondContact NH1-O 3.48Å; R449-W464 HydrophobicContact CB-CD2 4.43Å; R449-W464 HydrophobicContact CB-CE3 4.07Å; R449-W464 HydrophobicContact CB-CH2 3.86Å; R449-W464 HydrophobicContact CB-CZ2 4.22Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.45Å; R449-W464 HydrophobicContact CG-CZ3 4.45Å; R449-R465 VanDerWaalsContact CZ-O 3.25Å; R449-R465 PolarHBondContact NH1-O 2.99Å; R449-R465 PolarHBondContact NH2-O 3.33Å |
| 450 | Q | 97.8 | Very high | 96 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 175.7 | -72.1 | -162.5 | -58.1 | 0 | 0 | 112.4 | K232 Y446 F452 E453 W464 | K232-Q450 HydrophobicContact CD-CB 4.33Å; K232-Q450 VanDerWaalsContact CE-O 3.24Å; K232-Q450 WeakPolarHBondContact CE-O 3.43Å; Y446-Q450 HydrophobicContact CD1-CG 4.06Å; Y446-Q450 HydrophobicContact CE1-CG 3.71Å; Y446-Q450 WeakPolarHBondContact O-CG 3.27Å; Y446-Q450 PolarHBondContact O-N 2.76Å; Y446-Q450 PolarHBondContact OH-NE2 3.32Å; Q450-F452 PolarHBondContact O-N 3.18Å; Q450-F452 VanDerWaalsContact O-N 3.09Å; Q450-E453 VanDerWaalsContact O-CG 3.31Å; Q450-E453 WeakPolarHBondContact O-CG 3.45Å; Q450-E453 PolarHBondContact O-N 3.35Å; Q450-W464 HydrophobicContact CG-CH2 3.87Å; Q450-W464 HydrophobicContact CG-CZ2 4.38Å |
| 451 | S | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -23.8 | 179.9 | -60 | 0 | 0 | 0 | 0 | 112.9 | I235 R236 L447 L448 R449 | I235-S451 WeakPolarHBondContact CD1-OG 3.24Å; R236-S451 WeakPolarHBondContact CD-O 3.38Å; R236-S451 WeakPolarHBondContact CG-O 3.26Å; R236-S451 PolarHBondContact NH1-O 2.92Å; L447-S451 WeakPolarHBondContact O-CB 3.23Å; L447-S451 PolarHBondContact O-N 3.26Å; L447-S451 PolarHBondContact O-OG 2.79Å; L448-S451 WeakPolarHBondContact O-CB 3.46Å; L448-S451 PolarHBondContact O-N 2.91Å; R449-S451 VanDerWaalsContact C-N 3.26Å; R449-S451 PolarHBondContact O-N 3.03Å |
| 452 | F | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -114 | 4.9 | -179.9 | -66.4 | -78.4 | 0 | 0 | 0 | 114.4 | I235 R236 F239 L265 V269 L448 R449 Q450 D454 S455 L457 L463 | I235-F452 HydrophobicContact CG2-CE2 4.24Å; R236-F452 HydrophobicContact CB-CE1 4.43Å; R236-F452 HydrophobicContact CG-CD1 4.07Å; R236-F452 HydrophobicContact CG-CE1 3.85Å; R236-F452 HydrophobicContact CG-CZ 4.27Å; F239-F452 HydrophobicContact CB-CZ 4.14Å; F239-F452 HydrophobicContact CD1-CE1 4.39Å; F239-F452 HydrophobicContact CD1-CE2 4.48Å; F239-F452 AromaticContact CD1-CZ 3.7Å; F239-F452 HydrophobicContact CD1-CZ 3.7Å; F239-F452 HydrophobicContact CE1-CZ 4.47Å; F239-F452 HydrophobicContact CG-CZ 4.17Å; L265-F452 HydrophobicContact CD1-CD2 3.78Å; L265-F452 HydrophobicContact CD1-CE2 4.02Å; L265-F452 HydrophobicContact CD2-CB 3.8Å; L265-F452 HydrophobicContact CD2-CD1 4.08Å; L265-F452 HydrophobicContact CD2-CD2 3.69Å; L265-F452 HydrophobicContact CD2-CE2 4.28Å; L265-F452 HydrophobicContact CD2-CG 3.58Å; L265-F452 HydrophobicContact CG-CD2 4.4Å; V269-F452 HydrophobicContact CG2-CE1 4.44Å; L448-F452 HydrophobicContact CD1-CD2 4.3Å; L448-F452 HydrophobicContact CD1-CE2 3.81Å; L448-F452 WeakPolarHBondContact O-CD2 3.39Å; R449-F452 PolarHBondContact O-N 3.43Å; R449-F452 VanDerWaalsContact O-N 3.14Å; Q450-F452 PolarHBondContact O-N 3.18Å; Q450-F452 VanDerWaalsContact O-N 3.09Å; F452-D454 PolarHBondContact O-N 3.11Å; F452-S455 WeakPolarHBondContact O-CB 3.2Å; F452-S455 PolarHBondContact O-N 2.92Å; F452-S455 PolarHBondContact O-OG 2.97Å; F452-L457 HydrophobicContact CD1-CD1 3.87Å; F452-L457 HydrophobicContact CE1-CD1 4.32Å; F452-L463 HydrophobicContact CB-CD1 4.31Å |
| 453 | E | 96.1 | Very high | 96.5 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -61.9 | -38.1 | -173.3 | 76.9 | -165.2 | 156.8 | 0 | 0 | 114.4 | K232 R449 Q450 S455 L463 | K232-E453 IonicContact NZ-OE1 3.44Å; K232-E453 PolarHBondContact NZ-OE1 3.11Å; R449-E453 PolarHBondContact O-N 3.14Å; Q450-E453 VanDerWaalsContact O-CG 3.31Å; Q450-E453 WeakPolarHBondContact O-CG 3.45Å; Q450-E453 PolarHBondContact O-N 3.35Å; E453-S455 VanDerWaalsContact C-N 3.33Å; E453-L463 VanDerWaalsContact CA-CD2 3.49Å; E453-L463 HydrophobicContact CB-CD2 3.97Å |
| 454 | D | 93.4 | Very high | 96.6 | Very high | 124 Ų | 124 | 41.7 Ų | 41.7 | 66% | 0.663 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -89.3 | -0.3 | -177.7 | -57.4 | -51.5 | 0 | 0 | 0 | 113.1 | K232 F452 | K232-D454 IonicContact NZ-OD2 3.52Å; F452-D454 PolarHBondContact O-N 3.11Å |
| 455 | S | 92.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -82.5 | -17 | -173.5 | 72 | 0 | 0 | 0 | 0 | 114.1 | F452 E453 L457 | F452-S455 WeakPolarHBondContact O-CB 3.2Å; F452-S455 PolarHBondContact O-N 2.92Å; F452-S455 PolarHBondContact O-OG 2.97Å; E453-S455 VanDerWaalsContact C-N 3.33Å; S455-L457 PolarHBondContact O-N 3.08Å; S455-L457 WeakPolarHBondContact OG-CB 3.44Å; S455-L457 WeakPolarHBondContact OG-CD1 3.26Å; S455-L457 VanDerWaalsContact OG-CG 3.28Å; S455-L457 WeakPolarHBondContact OG-CG 3.37Å; S455-L457 PolarHBondContact OG-N 3.07Å |
| 456 | N | 94 | Very high | 96.1 | Very high | 126 Ų | 126 | 48.5 Ų | 48.5 | 67% | 0.674 | 24% | 0.241 | S | C | * | . | trans | 52 | 19.8 | -168.7 | -164.5 | 39.8 | 0 | 0 | 0 | 114.2 | H305 L458 | H305-N456 PolarHBondContact NE2-O 2.89Å; N456-L458 VanDerWaalsContact C-N 3.26Å; N456-L458 PolarHBondContact O-N 3.2Å | ||
| 457 | L | 95.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67 | -29.5 | 179.5 | -75.4 | 173 | 0 | 0 | 0 | 112.4 | A268 V269 K272 H305 F452 S455 | A268-L457 HydrophobicContact CB-CB 4.05Å; A268-L457 HydrophobicContact CB-CD2 4.3Å; V269-L457 HydrophobicContact CG2-CD1 3.85Å; K272-L457 HydrophobicContact CD-CD2 4.45Å; H305-L457 PolarHBondContact CD2-O 3.07Å; F452-L457 HydrophobicContact CD1-CD1 3.87Å; F452-L457 HydrophobicContact CE1-CD1 4.32Å; S455-L457 PolarHBondContact O-N 3.08Å; S455-L457 WeakPolarHBondContact OG-CB 3.44Å; S455-L457 WeakPolarHBondContact OG-CD1 3.26Å; S455-L457 VanDerWaalsContact OG-CG 3.28Å; S455-L457 WeakPolarHBondContact OG-CG 3.37Å; S455-L457 PolarHBondContact OG-N 3.07Å |
| 458 | L | 97 | Very high | 94.8 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -132.1 | 152.2 | -178 | -62.8 | -178.8 | 0 | 0 | 0 | 111.3 | L261 L265 A268 V302 N456 K460 I462 L463 | L261-L458 HydrophobicContact CD1-CD1 4.46Å; L265-L458 HydrophobicContact CD2-CD1 3.71Å; L265-L458 HydrophobicContact CD2-CG 4.36Å; L265-L458 HydrophobicContact CG-CD1 3.91Å; A268-L458 HydrophobicContact CB-CD2 3.95Å; V302-L458 HydrophobicContact CG1-CD2 3.95Å; N456-L458 VanDerWaalsContact C-N 3.26Å; N456-L458 PolarHBondContact O-N 3.2Å; L458-K460 PolarHBondContact O-N 2.74Å; L458-I462 HydrophobicContact CD1-CG2 4.42Å; L458-L463 HydrophobicContact CB-CB 4.46Å; L458-L463 HydrophobicContact CD1-CD1 4.49Å |
| 459 | P | 97.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 16% | 0.156 | 26% | 0.261 | C | S | . | . | trans | -56.6 | 137.9 | 164.6 | -21.3 | 32.8 | 0 | 0 | 0 | 110.5 | H305 E461 I462 L463 | H305-P459 HydrophobicContact CB-CG 3.79Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.85Å; P459-E461 VanDerWaalsContact O-N 3.16Å; P459-I462 HydrophobicContact CB-CG1 4.2Å; P459-I462 HydrophobicContact CG-CG1 4.24Å; P459-I462 PolarHBondContact O-N 3.49Å; P459-L463 PolarHBondContact O-N 2.74Å | ||
| 460 | K | 96.2 | Very high | 93 | Very high | 166 Ų | 166 | 54 Ų | 54 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -54.8 | -37.4 | -178.8 | -71.3 | -170.3 | 175.3 | -173.1 | 0 | 113 | L458 I462 L463 W464 | L458-K460 PolarHBondContact O-N 2.74Å; K460-I462 VanDerWaalsContact C-N 3.27Å; K460-I462 PolarHBondContact O-N 2.92Å; K460-L463 PolarHBondContact O-N 3.37Å; K460-W464 PolarHBondContact O-N 2.82Å |
| 461 | E | 95.7 | Very high | 91.9 | Very high | 115 Ų | 115 | 53.5 Ų | 53.5 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -27.8 | 177.2 | 59.1 | -177.6 | -131.4 | 0 | 0 | 113.8 | K301 P459 R465 | K301-E461 VanDerWaalsContact CD-OE1 3.25Å; K301-E461 WeakPolarHBondContact CD-OE1 3.45Å; K301-E461 WeakPolarHBondContact CE-OE1 3.43Å; K301-E461 IonicContact NZ-OE1 3.01Å; K301-E461 PolarHBondContact NZ-OE1 2.78Å; P459-E461 HydrophobicContact CB-CG 3.98Å; P459-E461 PolarHBondContact O-N 2.85Å; P459-E461 VanDerWaalsContact O-N 3.16Å; E461-R465 WeakPolarHBondContact O-CB 3.3Å; E461-R465 PolarHBondContact O-N 2.96Å |
| 462 | I | 96.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -82.7 | -45.1 | 172.9 | -61.2 | -64.1 | 0 | 0 | 0 | 109.8 | A298 V302 L458 P459 K460 W464 R465 | A298-I462 HydrophobicContact CB-CD1 4.17Å; V302-I462 HydrophobicContact CG2-CB 4.22Å; V302-I462 HydrophobicContact CG2-CD1 4.1Å; V302-I462 HydrophobicContact CG2-CG1 3.74Å; V302-I462 HydrophobicContact CG2-CG2 3.71Å; L458-I462 HydrophobicContact CD1-CG2 4.42Å; P459-I462 HydrophobicContact CB-CG1 4.2Å; P459-I462 HydrophobicContact CG-CG1 4.24Å; P459-I462 PolarHBondContact O-N 3.49Å; K460-I462 VanDerWaalsContact C-N 3.27Å; K460-I462 PolarHBondContact O-N 2.92Å; I462-W464 PolarHBondContact O-N 2.75Å; I462-W464 VanDerWaalsContact O-N 3.14Å; I462-R465 WeakPolarHBondContact O-CB 3.36Å; I462-R465 PolarHBondContact O-N 3.04Å; I462-R465 VanDerWaalsContact O-N 3.09Å |
| 463 | L | 97.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -30 | 179.9 | -177.8 | 67 | 0 | 0 | 0 | 112.6 | L261 R449 F452 E453 L458 P459 K460 | L261-L463 HydrophobicContact CD1-CD1 3.79Å; R449-L463 HydrophobicContact CB-CD1 4.39Å; R449-L463 WeakPolarHBondContact CD-O 3.3Å; R449-L463 VanDerWaalsContact CG-O 3.29Å; R449-L463 WeakPolarHBondContact CG-O 3.23Å; R449-L463 PolarHBondContact NH1-O 3.48Å; F452-L463 HydrophobicContact CB-CD1 4.31Å; E453-L463 VanDerWaalsContact CA-CD2 3.49Å; E453-L463 HydrophobicContact CB-CD2 3.97Å; L458-L463 HydrophobicContact CB-CB 4.46Å; L458-L463 HydrophobicContact CD1-CD1 4.49Å; P459-L463 PolarHBondContact O-N 2.74Å; K460-L463 PolarHBondContact O-N 3.37Å |
| 464 | W | 96.7 | Very high | 89 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 31% | 0.307 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 14.1 | 178.7 | -64.1 | 103.1 | 0 | 0 | 0 | 113.7 | I443 Y446 R449 Q450 K460 I462 | I443-W464 HydrophobicContact CD1-CE3 4.02Å; I443-W464 VanDerWaalsContact CD1-O 3.26Å; I443-W464 WeakPolarHBondContact CD1-O 3.44Å; I443-W464 HydrophobicContact CG2-CE3 4.33Å; I443-W464 HydrophobicContact CG2-CZ3 4.11Å; Y446-W464 HydrophobicContact CD2-CH2 4.06Å; Y446-W464 AromaticContact CD2-CZ3 3.68Å; Y446-W464 HydrophobicContact CD2-CZ3 3.68Å; Y446-W464 AromaticContact CE2-CH2 3.77Å; Y446-W464 HydrophobicContact CE2-CH2 3.77Å; Y446-W464 AromaticContact CE2-CZ3 3.7Å; Y446-W464 HydrophobicContact CE2-CZ3 3.7Å; R449-W464 HydrophobicContact CB-CD2 4.43Å; R449-W464 HydrophobicContact CB-CE3 4.07Å; R449-W464 HydrophobicContact CB-CH2 3.86Å; R449-W464 HydrophobicContact CB-CZ2 4.22Å; R449-W464 HydrophobicContact CB-CZ3 3.78Å; R449-W464 HydrophobicContact CG-CE3 4.45Å; R449-W464 HydrophobicContact CG-CZ3 4.45Å; Q450-W464 HydrophobicContact CG-CH2 3.87Å; Q450-W464 HydrophobicContact CG-CZ2 4.38Å; K460-W464 PolarHBondContact O-N 2.82Å; I462-W464 PolarHBondContact O-N 2.75Å; I462-W464 VanDerWaalsContact O-N 3.14Å |
| 465 | R | 93 | Very high | 88.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 129 | 172.9 | -176.4 | 178.6 | 170.5 | 140.1 | -13.7 | 110.2 | R449 E461 I462 E468 | R449-R465 VanDerWaalsContact CZ-O 3.25Å; R449-R465 PolarHBondContact NH1-O 2.99Å; R449-R465 PolarHBondContact NH2-O 3.33Å; E461-R465 WeakPolarHBondContact O-CB 3.3Å; E461-R465 PolarHBondContact O-N 2.96Å; I462-R465 WeakPolarHBondContact O-CB 3.36Å; I462-R465 PolarHBondContact O-N 3.04Å; I462-R465 VanDerWaalsContact O-N 3.09Å; R465-E468 IonicContact CZ-OE2 3.74Å; R465-E468 IonicContact NH2-OE2 2.69Å; R465-E468 PolarHBondContact NH2-OE2 2.9Å |
| 466 | P | 91.1 | Very high | 87.7 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 57% | 0.565 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -59 | 154.5 | 173.4 | -24 | 34.2 | 0 | 0 | 0 | 113.1 | E468 | P466-E468 PolarHBondContact O-N 3.19Š|
| 467 | K | 86.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -62 | 132.6 | -179.6 | -179.1 | 62.2 | 168.2 | 75.3 | 0 | 111.4 | D368 I375 E444 Y555 | D368-K467 WeakPolarHBondContact OD1-CE 3.41Å; D368-K467 WeakPolarHBondContact OD2-CE 3.26Å; D368-K467 IonicContact OD2-NZ 2.84Å; I375-K467 HydrophobicContact CD1-CB 4.1Å; E444-K467 HydrophobicContact CG-CB 3.89Å; E444-K467 WeakPolarHBondContact OE1-CB 3.47Å; E444-K467 PolarHBondContact OE1-N 2.84Å; K467-Y555 PolarHBondContact O-OH 3.5Å |
| 468 | E | 81.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | trans | -120.7 | 132.1 | 167.8 | -165.7 | 166.8 | -174.7 | 0 | 0 | 109.1 | R465 P466 D472 G473 | R465-E468 IonicContact CZ-OE2 3.74Å; R465-E468 IonicContact NH2-OE2 2.69Å; R465-E468 PolarHBondContact NH2-OE2 2.9Å; P466-E468 PolarHBondContact O-N 3.19Å; E468-D472 HydrophobicContact CG-CB 4.43Å; E468-G473 WeakPolarHBondContact OE1-CA 3.41Å | ||
| 469 | A | 78.7 | Confident | 84.9 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | trans | -70.9 | 146.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S471 D472 G473 | A469-S471 PolarHBondContact O-N 3Å; A469-D472 HydrophobicContact CB-CB 4.31Å; A469-D472 CarbonylContact O-C 3.55Å; A469-D472 WeakPolarHBondContact O-CA 3.44Å; A469-D472 WeakPolarHBondContact O-CB 2.97Å; A469-D472 PolarHBondContact O-N 3Å; A469-G473 PolarHBondContact O-N 2.9Å | ||
| 470 | F | 80.8 | Confident | 84.3 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -46.6 | -172.1 | -175.8 | -113.9 | 0 | 0 | 0 | 113.1 | I288 A341 M345 D472 G473 I474 | I288-F470 HydrophobicContact CG2-CE2 4.47Å; I288-F470 HydrophobicContact CG2-CZ 3.86Å; A341-F470 HydrophobicContact CB-CD1 4.03Å; A341-F470 WeakPolarHBondContact O-CD1 3.46Å; A341-F470 VanDerWaalsContact O-CE1 3.23Å; A341-F470 WeakPolarHBondContact O-CE1 3.37Å; M345-F470 HydrophobicContact CB-CE1 4.4Å; F470-D472 PolarHBondContact O-N 2.92Å; F470-D472 VanDerWaalsContact O-N 3.13Å; F470-G473 PolarHBondContact O-N 2.9Å; F470-I474 HydrophobicContact CD2-CG2 4.42Å; F470-I474 HydrophobicContact CE2-CG2 4.09Å; F470-I474 HydrophobicContact CZ-CG2 4.2Å; F470-I474 WeakPolarHBondContact O-CG2 3.41Å; F470-I474 PolarHBondContact O-N 3.25Å |
| 471 | S | 74.6 | Confident | 83.8 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -21.2 | 176.2 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | A469 I474 | A469-S471 PolarHBondContact O-N 3Å; S471-I474 WeakPolarHBondContact O-CG1 3.49Å |
| 472 | D | 77.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.7 | -42.2 | 179 | -64.7 | -28.7 | 0 | 0 | 0 | 111.4 | E468 A469 F470 I474 T475 R550 | E468-D472 HydrophobicContact CG-CB 4.43Å; A469-D472 HydrophobicContact CB-CB 4.31Å; A469-D472 CarbonylContact O-C 3.55Å; A469-D472 WeakPolarHBondContact O-CA 3.44Å; A469-D472 WeakPolarHBondContact O-CB 2.97Å; A469-D472 PolarHBondContact O-N 3Å; F470-D472 PolarHBondContact O-N 2.92Å; F470-D472 VanDerWaalsContact O-N 3.13Å; D472-I474 VanDerWaalsContact C-N 3.28Å; D472-I474 PolarHBondContact O-N 2.85Å; D472-T475 WeakPolarHBondContact O-CB 3.38Å; D472-T475 WeakPolarHBondContact O-CG2 3.49Å; D472-T475 PolarHBondContact O-N 3.46Å; D472-R550 PolarHBondContact O-NH2 3.1Å; D472-R550 WeakPolarHBondContact OD1-CD 3.48Å; D472-R550 IonicContact OD1-CZ 2.81Å; D472-R550 IonicContact OD1-NE 2.62Å; D472-R550 PolarHBondContact OD1-NE 3.48Å; D472-R550 IonicContact OD1-NH2 2.63Å |
| 473 | G | 74.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -22.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | S293 P294 D295 E468 A469 F470 T475 | S293-G473 WeakPolarHBondContact CB-O 3.41Å; P294-G473 WeakPolarHBondContact CD-O 3.37Å; D295-G473 WeakPolarHBondContact CB-O 3.38Å; D295-G473 PolarHBondContact N-O 3.39Å; E468-G473 WeakPolarHBondContact OE1-CA 3.41Å; A469-G473 PolarHBondContact O-N 2.9Å; F470-G473 PolarHBondContact O-N 2.9Å; G473-T475 PolarHBondContact O-N 3.2Å |
| 474 | I | 80.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.2 | 176.3 | 66.4 | 174.8 | 0 | 0 | 0 | 114.4 | I288 M290 F315 F470 S471 D472 W481 | I288-I474 VanDerWaalsContact O-CG2 3.26Å; I288-I474 WeakPolarHBondContact O-CG2 3.31Å; M290-I474 WeakPolarHBondContact CB-O 3.14Å; M290-I474 WeakPolarHBondContact CG-O 3.48Å; M290-I474 PolarHBondContact N-O 3.42Å; F315-I474 HydrophobicContact CE1-CB 4.25Å; F315-I474 HydrophobicContact CE1-CD1 4.09Å; F315-I474 HydrophobicContact CE1-CG1 4.47Å; F315-I474 HydrophobicContact CZ-CD1 3.93Å; F315-I474 HydrophobicContact CZ-CG1 4.47Å; F470-I474 HydrophobicContact CD2-CG2 4.42Å; F470-I474 HydrophobicContact CE2-CG2 4.09Å; F470-I474 HydrophobicContact CZ-CG2 4.2Å; F470-I474 WeakPolarHBondContact O-CG2 3.41Å; F470-I474 PolarHBondContact O-N 3.25Å; S471-I474 WeakPolarHBondContact O-CG1 3.49Å; D472-I474 VanDerWaalsContact C-N 3.28Å; D472-I474 PolarHBondContact O-N 2.85Å; I474-W481 HydrophobicContact CD1-CG 4.45Å |
| 475 | T | 80.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -69.1 | 144.7 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 114.3 | S293 P294 D472 G473 S480 | S293-T475 VanDerWaalsContact CA-O 3.23Å; S293-T475 WeakPolarHBondContact CA-O 3.19Å; S293-T475 WeakPolarHBondContact CB-O 3.28Å; P294-T475 HydrophobicContact CG-CG2 4.33Å; D472-T475 WeakPolarHBondContact O-CB 3.38Å; D472-T475 WeakPolarHBondContact O-CG2 3.49Å; D472-T475 PolarHBondContact O-N 3.46Å; G473-T475 PolarHBondContact O-N 3.2Å; T475-S480 WeakPolarHBondContact OG1-CA 3.12Å; T475-S480 WeakPolarHBondContact OG1-CB 3.12Å | ||
| 476 | S | 78 | Confident | 81.9 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | trans | -72.4 | 159.9 | 164 | 84 | 0 | 0 | 0 | 0 | 111 | K478 K479 | S476-K478 VanDerWaalsContact C-N 3.27Å; S476-K478 PolarHBondContact O-N 3Å; S476-K478 PolarHBondContact OG-N 3.48Å; S476-K479 PolarHBondContact OG-N 2.86Å; S476-K479 PolarHBondContact OG-O 3.27Å | ||
| 477 | V | 72.4 | Confident | 82 | Confident | 127 Ų | 127 | 41.7 Ų | 41.7 | 77% | 0.77 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -66.7 | -29.2 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 478 | K | 75.3 | Confident | 82.4 | Confident | 209 Ų | 209 | 42.9 Ų | 42.9 | 91% | 0.909 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -80.6 | -44.5 | -175.1 | -67.3 | -178.7 | -179.6 | 175.2 | 0 | 112.7 | S476 | S476-K478 VanDerWaalsContact C-N 3.27Å; S476-K478 PolarHBondContact O-N 3Å; S476-K478 PolarHBondContact OG-N 3.48Å |
| 479 | K | 80.4 | Confident | 83 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -153.8 | 138.9 | -177.3 | -165.9 | 174.6 | -177.9 | 175.7 | 0 | 110.8 | S476 I484 D487 | S476-K479 PolarHBondContact OG-N 2.86Å; S476-K479 PolarHBondContact OG-O 3.27Å; K479-I484 HydrophobicContact CB-CD1 4.35Å; K479-I484 HydrophobicContact CB-CG1 4.38Å; K479-I484 HydrophobicContact CD-CG1 3.77Å; K479-I484 HydrophobicContact CG-CD1 4.41Å; K479-I484 HydrophobicContact CG-CG1 3.93Å; K479-D487 IonicContact NZ-OD1 3.29Å; K479-D487 PolarHBondContact NZ-OD1 3.37Å; K479-D487 VanDerWaalsContact NZ-OD1 3.1Å; K479-D487 IonicContact NZ-OD2 3.55Å; K479-D487 PolarHBondContact NZ-OD2 2.76Å |
| 480 | S | 83 | Confident | 83.8 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | trans | -76.9 | 149.3 | -178.3 | 82 | 0 | 0 | 0 | 0 | 114.2 | T475 F482 S483 I484 R550 | T475-S480 WeakPolarHBondContact OG1-CA 3.12Å; T475-S480 WeakPolarHBondContact OG1-CB 3.12Å; S480-F482 PolarHBondContact O-N 3.14Å; S480-S483 PolarHBondContact O-N 3.11Å; S480-S483 WeakPolarHBondContact OG-CB 2.84Å; S480-S483 PolarHBondContact OG-N 2.65Å; S480-S483 PolarHBondContact OG-OG 2.86Å; S480-I484 WeakPolarHBondContact O-CG1 3.48Å; S480-I484 PolarHBondContact O-N 2.92Å; S480-R550 PolarHBondContact OG-NH1 2.82Å | ||
| 481 | W | 85.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55 | -43.7 | 173.5 | 172.7 | -127.6 | 0 | 0 | 0 | 111.1 | M290 F315 G320 I321 R340 V343 I474 S483 I484 L485 | M290-W481 HydrophobicContact CE-CB 4.2Å; M290-W481 HydrophobicContact CE-CD2 4.43Å; M290-W481 HydrophobicContact CE-CE3 3.73Å; F315-W481 HydrophobicContact CE2-CD2 4.48Å; F315-W481 HydrophobicContact CE2-CE3 4.29Å; G320-W481 VanDerWaalsContact C-CH2 3.42Å; I321-W481 HydrophobicContact CG1-CH2 4.12Å; I321-W481 HydrophobicContact CG1-CZ3 4.21Å; R340-W481 PolarHBondContact O-NE1 3.21Å; V343-W481 HydrophobicContact CB-CZ2 4.19Å; V343-W481 HydrophobicContact CG1-CH2 4.48Å; V343-W481 HydrophobicContact CG1-CZ2 3.93Å; V343-W481 HydrophobicContact CG2-CZ2 4.12Å; I474-W481 HydrophobicContact CD1-CG 4.45Å; W481-S483 PolarHBondContact O-N 3.18Å; W481-I484 HydrophobicContact CE3-CB 4.32Å; W481-I484 HydrophobicContact CE3-CG2 4.1Å; W481-I484 HydrophobicContact CZ3-CG2 3.98Å; W481-I484 PolarHBondContact O-N 3.33Å; W481-L485 HydrophobicContact CD2-CD1 4.07Å; W481-L485 HydrophobicContact CD2-CG 4.07Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.26Å; W481-L485 HydrophobicContact CG-CD1 4.46Å; W481-L485 HydrophobicContact CH2-CD1 4.33Å; W481-L485 HydrophobicContact CH2-CD2 3.53Å; W481-L485 HydrophobicContact CH2-CG 3.79Å; W481-L485 HydrophobicContact CZ2-CD1 3.62Å; W481-L485 HydrophobicContact CZ2-CD2 3.54Å; W481-L485 HydrophobicContact CZ2-CG 3.6Å; W481-L485 HydrophobicContact CZ3-CD2 4.23Å; W481-L485 HydrophobicContact CZ3-CG 4.13Å; W481-L485 WeakPolarHBondContact O-CG 3.34Å; W481-L485 PolarHBondContact O-N 3.42Å |
| 482 | F | 85.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.9 | -50.4 | 171.5 | 166.7 | -106.3 | 0 | 0 | 0 | 112.5 | S480 I484 L485 Q486 | S480-F482 PolarHBondContact O-N 3.14Å; F482-I484 VanDerWaalsContact C-N 3.32Å; F482-I484 PolarHBondContact O-N 2.8Å; F482-L485 WeakPolarHBondContact O-CB 3.43Å; F482-L485 PolarHBondContact O-N 3.42Å; F482-Q486 HydrophobicContact CD2-CG 4.28Å; F482-Q486 HydrophobicContact CE1-CG 4.14Å; F482-Q486 HydrophobicContact CE2-CG 3.74Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.22Å; F482-Q486 PolarHBondContact O-N 3.39Å |
| 483 | S | 86.4 | Confident | 86.2 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 179.3 | -55 | 0 | 0 | 0 | 0 | 112.4 | S480 W481 L485 Q486 D487 | S480-S483 PolarHBondContact O-N 3.11Å; S480-S483 WeakPolarHBondContact OG-CB 2.84Å; S480-S483 PolarHBondContact OG-N 2.65Å; S480-S483 PolarHBondContact OG-OG 2.86Å; W481-S483 PolarHBondContact O-N 3.18Å; S483-L485 VanDerWaalsContact C-N 3.34Å; S483-Q486 PolarHBondContact O-N 2.76Å; S483-D487 PolarHBondContact O-N 3.08Å; S483-D487 VanDerWaalsContact O-N 3.07Å |
| 484 | I | 89.7 | Confident | 87.1 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.3 | -73.2 | 159.8 | 0 | 0 | 0 | 110.5 | M290 I321 K479 S480 W481 F482 Y488 | M290-I484 HydrophobicContact CE-CD1 3.65Å; M290-I484 HydrophobicContact SD-CD1 4.05Å; I321-I484 HydrophobicContact CD1-CG2 4.08Å; K479-I484 HydrophobicContact CB-CD1 4.35Å; K479-I484 HydrophobicContact CB-CG1 4.38Å; K479-I484 HydrophobicContact CD-CG1 3.77Å; K479-I484 HydrophobicContact CG-CD1 4.41Å; K479-I484 HydrophobicContact CG-CG1 3.93Å; S480-I484 WeakPolarHBondContact O-CG1 3.48Å; S480-I484 PolarHBondContact O-N 2.92Å; W481-I484 HydrophobicContact CE3-CB 4.32Å; W481-I484 HydrophobicContact CE3-CG2 4.1Å; W481-I484 HydrophobicContact CZ3-CG2 3.98Å; W481-I484 PolarHBondContact O-N 3.33Å; F482-I484 VanDerWaalsContact C-N 3.32Å; F482-I484 PolarHBondContact O-N 2.8Å; I484-Y488 PolarHBondContact O-N 2.82Å |
| 485 | L | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -46 | 174.5 | -77.9 | 172.1 | 0 | 0 | 0 | 111.8 | L324 R340 W481 F482 S483 Y488 I489 | L324-L485 HydrophobicContact CD1-CD2 3.79Å; L324-L485 HydrophobicContact CD2-CD2 4.23Å; L324-L485 HydrophobicContact CG-CD2 4.49Å; R340-L485 HydrophobicContact CG-CD1 4.06Å; W481-L485 HydrophobicContact CD2-CD1 4.07Å; W481-L485 HydrophobicContact CD2-CG 4.07Å; W481-L485 VanDerWaalsContact CE2-CD1 3.46Å; W481-L485 HydrophobicContact CE3-CG 4.26Å; W481-L485 HydrophobicContact CG-CD1 4.46Å; W481-L485 HydrophobicContact CH2-CD1 4.33Å; W481-L485 HydrophobicContact CH2-CD2 3.53Å; W481-L485 HydrophobicContact CH2-CG 3.79Å; W481-L485 HydrophobicContact CZ2-CD1 3.62Å; W481-L485 HydrophobicContact CZ2-CD2 3.54Å; W481-L485 HydrophobicContact CZ2-CG 3.6Å; W481-L485 HydrophobicContact CZ3-CD2 4.23Å; W481-L485 HydrophobicContact CZ3-CG 4.13Å; W481-L485 WeakPolarHBondContact O-CG 3.34Å; W481-L485 PolarHBondContact O-N 3.42Å; F482-L485 WeakPolarHBondContact O-CB 3.43Å; F482-L485 PolarHBondContact O-N 3.42Å; S483-L485 VanDerWaalsContact C-N 3.34Å; L485-Y488 PolarHBondContact O-N 3.38Å; L485-I489 HydrophobicContact CB-CD1 4.31Å; L485-I489 WeakPolarHBondContact O-CB 3.32Å; L485-I489 WeakPolarHBondContact O-CD1 3.1Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 3.07Å |
| 486 | Q | 90 | Very high | 88.4 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -51.6 | 178.1 | -67.2 | -46.5 | -80.8 | 0 | 0 | 111.4 | F482 S483 Y488 I489 D490 E514 | F482-Q486 HydrophobicContact CD2-CG 4.28Å; F482-Q486 HydrophobicContact CE1-CG 4.14Å; F482-Q486 HydrophobicContact CE2-CG 3.74Å; F482-Q486 HydrophobicContact CZ-CG 3.67Å; F482-Q486 WeakPolarHBondContact O-CG 3.22Å; F482-Q486 PolarHBondContact O-N 3.39Å; S483-Q486 PolarHBondContact O-N 2.76Å; Q486-Y488 PolarHBondContact O-N 3.45Å; Q486-I489 PolarHBondContact O-N 3.14Å; Q486-I489 VanDerWaalsContact O-N 3.13Å; Q486-D490 WeakPolarHBondContact O-CB 3.42Å; Q486-D490 PolarHBondContact O-N 3.37Å; Q486-E514 PolarHBondContact NE2-OE2 3.03Å |
| 487 | D | 92.9 | Very high | 89.2 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.5 | -37.3 | 179.7 | -82.9 | 55.2 | 0 | 0 | 0 | 113.3 | K479 S483 Q491 | K479-D487 IonicContact NZ-OD1 3.29Å; K479-D487 PolarHBondContact NZ-OD1 3.37Å; K479-D487 VanDerWaalsContact NZ-OD1 3.1Å; K479-D487 IonicContact NZ-OD2 3.55Å; K479-D487 PolarHBondContact NZ-OD2 2.76Å; S483-D487 PolarHBondContact O-N 3.08Å; S483-D487 VanDerWaalsContact O-N 3.07Å; D487-Q491 WeakPolarHBondContact O-CG 3.28Å; D487-Q491 PolarHBondContact O-NE2 3.05Å |
| 488 | Y | 94.7 | Very high | 90.3 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.7 | -47.6 | 176.9 | 174.3 | -104.6 | 0 | 0 | 0 | 111.1 | I321 I484 L485 Q486 Q491 Q492 Y517 | I321-Y488 HydrophobicContact CD1-CD2 4.2Å; I321-Y488 HydrophobicContact CD1-CG 3.95Å; I321-Y488 HydrophobicContact CG1-CD1 4.45Å; I321-Y488 HydrophobicContact CG1-CG 4.36Å; I321-Y488 HydrophobicContact CG2-CD1 3.79Å; I321-Y488 HydrophobicContact CG2-CD2 4Å; I321-Y488 HydrophobicContact CG2-CE1 3.56Å; I321-Y488 HydrophobicContact CG2-CE2 3.8Å; I321-Y488 HydrophobicContact CG2-CG 4Å; I484-Y488 PolarHBondContact O-N 2.82Å; L485-Y488 PolarHBondContact O-N 3.38Å; Q486-Y488 PolarHBondContact O-N 3.45Å; Y488-Q491 WeakPolarHBondContact O-CB 3.38Å; Y488-Q491 PolarHBondContact O-N 3.03Å; Y488-Q492 HydrophobicContact CD1-CG 4.45Å; Y488-Q492 HydrophobicContact CE1-CG 4.03Å; Y488-Q492 HydrophobicContact CE2-CG 4.49Å; Y488-Q492 WeakPolarHBondContact O-CG 3.46Å; Y488-Y517 HydrophobicContact CE1-CE1 4.16Å; Y488-Y517 AromaticContact CE1-CZ 3.81Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.43Å; Y488-Y517 PolarHBondContact OH-OH 3.26Å |
| 489 | I | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | -175.7 | -71 | 166.5 | 0 | 0 | 0 | 111.9 | L485 Q486 Q491 Q492 V493 K513 E514 Y517 Y518 | L485-I489 HydrophobicContact CB-CD1 4.31Å; L485-I489 WeakPolarHBondContact O-CB 3.32Å; L485-I489 WeakPolarHBondContact O-CD1 3.1Å; L485-I489 WeakPolarHBondContact O-CG1 3.38Å; L485-I489 PolarHBondContact O-N 3.07Å; Q486-I489 PolarHBondContact O-N 3.14Å; Q486-I489 VanDerWaalsContact O-N 3.13Å; I489-Q491 PolarHBondContact O-N 2.95Å; I489-Q491 VanDerWaalsContact O-N 3.14Å; I489-Q492 WeakPolarHBondContact O-CA 3.32Å; I489-Q492 PolarHBondContact O-N 3.38Å; I489-V493 PolarHBondContact O-N 2.91Å; I489-K513 HydrophobicContact CG2-CB 3.86Å; I489-E514 HydrophobicContact CD1-CB 3.86Å; I489-E514 HydrophobicContact CD1-CG 3.73Å; I489-E514 HydrophobicContact CG2-CB 4.42Å; I489-Y517 HydrophobicContact CD1-CD1 4.24Å; I489-Y517 HydrophobicContact CG1-CD1 3.92Å; I489-Y517 HydrophobicContact CG1-CE1 4.49Å; I489-Y517 HydrophobicContact CG1-CG 4.16Å; I489-Y518 HydrophobicContact CD1-CE1 4.25Å |
| 490 | D | 93.4 | Very high | 92 | Very high | 82 Ų | 82 | 61 Ų | 61 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.6 | 175.5 | -81.1 | -30.3 | 0 | 0 | 0 | 112.6 | Q486 K513 | Q486-D490 WeakPolarHBondContact O-CB 3.42Å; Q486-D490 PolarHBondContact O-N 3.37Å; D490-K513 WeakPolarHBondContact OD1-CD 3.33Å; D490-K513 IonicContact OD1-NZ 3.04Å |
| 491 | Q | 94.6 | Very high | 92.7 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 70% | 0.696 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -16.6 | 173.3 | -60.1 | 169.5 | 35.5 | 0 | 0 | 113 | D487 Y488 I489 | D487-Q491 WeakPolarHBondContact O-CG 3.28Å; D487-Q491 PolarHBondContact O-NE2 3.05Å; Y488-Q491 WeakPolarHBondContact O-CB 3.38Å; Y488-Q491 PolarHBondContact O-N 3.03Å; I489-Q491 PolarHBondContact O-N 2.95Å; I489-Q491 VanDerWaalsContact O-N 3.14Å |
| 492 | Q | 94.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -31.9 | -178.7 | -54.9 | -51 | -56.7 | 0 | 0 | 112.8 | Y488 I489 Y517 | Y488-Q492 HydrophobicContact CD1-CG 4.45Å; Y488-Q492 HydrophobicContact CE1-CG 4.03Å; Y488-Q492 HydrophobicContact CE2-CG 4.49Å; Y488-Q492 WeakPolarHBondContact O-CG 3.46Å; I489-Q492 WeakPolarHBondContact O-CA 3.32Å; I489-Q492 PolarHBondContact O-N 3.38Å; Q492-Y517 HydrophobicContact CB-CD2 3.83Å; Q492-Y517 HydrophobicContact CB-CE2 3.79Å; Q492-Y517 HydrophobicContact CG-CD2 4.27Å; Q492-Y517 HydrophobicContact CG-CE2 3.79Å |
| 493 | V | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | trans | -123.6 | 113.6 | -175.8 | -174 | 0 | 0 | 0 | 0 | 109.5 | I489 L497 K513 Y516 Y517 | I489-V493 PolarHBondContact O-N 2.91Å; V493-L497 HydrophobicContact CG1-CB 4.09Å; V493-L497 HydrophobicContact CG1-CD1 4.44Å; V493-K513 HydrophobicContact CB-CB 4.09Å; V493-K513 HydrophobicContact CB-CG 4.19Å; V493-K513 HydrophobicContact CG1-CB 4.21Å; V493-K513 HydrophobicContact CG1-CG 4.03Å; V493-K513 VanDerWaalsContact O-CD 3.22Å; V493-K513 WeakPolarHBondContact O-CD 3.46Å; V493-K513 WeakPolarHBondContact O-CE 3.5Å; V493-K513 PolarHBondContact O-NZ 3.3Å; V493-Y516 HydrophobicContact CG1-CD1 3.87Å; V493-Y516 HydrophobicContact CG1-CE1 4.48Å; V493-Y516 HydrophobicContact CG1-CG 4.08Å; V493-Y516 HydrophobicContact CG2-CD1 4.09Å; V493-Y517 HydrophobicContact CG2-CD2 4.21Å | ||
| 494 | D | 94.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | trans | -81 | 167.6 | 173.1 | 67.5 | 37.2 | 0 | 0 | 0 | 112.3 | Y496 L497 L498 | D494-Y496 VanDerWaalsContact C-N 3.25Å; D494-Y496 PolarHBondContact O-N 3.36Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.49Å; D494-Y496 PolarHBondContact OD1-N 3.26Å; D494-Y496 VanDerWaalsContact OD1-N 3.1Å; D494-L497 PolarHBondContact O-N 3.19Å; D494-L497 WeakPolarHBondContact OD1-CG 3.19Å; D494-L497 PolarHBondContact OD1-N 3.27Å; D494-L498 PolarHBondContact O-N 3.05Å | ||
| 495 | D | 94 | Very high | 94.6 | Very high | 101 Ų | 101 | 70.6 Ų | 70.6 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -30.5 | -177.8 | -65.3 | -15.5 | 0 | 0 | 0 | 112 | L498 E499 K513 | D495-L498 PolarHBondContact O-N 3.34Å; D495-E499 WeakPolarHBondContact O-CG 3.41Å; D495-E499 PolarHBondContact O-N 2.82Å; D495-K513 WeakPolarHBondContact OD1-CE 3.47Å; D495-K513 IonicContact OD1-NZ 3.69Å; D495-K513 PolarHBondContact OD1-NZ 2.76Å |
| 496 | Y | 94.6 | Very high | 94.9 | Very high | 147 Ų | 147 | 75.5 Ų | 75.5 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 179.1 | 176 | -97.2 | 0 | 0 | 0 | 111.8 | D494 L498 E499 K500 | D494-Y496 VanDerWaalsContact C-N 3.25Å; D494-Y496 PolarHBondContact O-N 3.36Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.49Å; D494-Y496 PolarHBondContact OD1-N 3.26Å; D494-Y496 VanDerWaalsContact OD1-N 3.1Å; Y496-L498 VanDerWaalsContact C-N 3.31Å; Y496-L498 PolarHBondContact O-N 2.96Å; Y496-E499 PolarHBondContact O-N 3.43Å; Y496-K500 HydrophobicContact CE1-CG 4.25Å; Y496-K500 HydrophobicContact CE2-CG 4.25Å; Y496-K500 WeakPolarHBondContact O-CB 3.32Å; Y496-K500 WeakPolarHBondContact O-CG 3.39Å; Y496-K500 PolarHBondContact O-N 2.71Å; Y496-K500 VanDerWaalsContact O-N 3.08Å |
| 497 | L | 94.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 77.7 Ų | 77.7 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.7 | -71.2 | 177.5 | 0 | 0 | 0 | 111.7 | V493 D494 K500 A501 Y516 | V493-L497 HydrophobicContact CG1-CB 4.09Å; V493-L497 HydrophobicContact CG1-CD1 4.44Å; D494-L497 PolarHBondContact O-N 3.19Å; D494-L497 WeakPolarHBondContact OD1-CG 3.19Å; D494-L497 PolarHBondContact OD1-N 3.27Å; L497-K500 CarbonylContact O-C 3.32Å; L497-K500 PolarHBondContact O-N 3.1Å; L497-A501 PolarHBondContact O-N 3.48Å; L497-A501 VanDerWaalsContact O-N 3.13Å; L497-Y516 HydrophobicContact CB-CE1 4.37Å; L497-Y516 HydrophobicContact CB-CE2 4.45Å; L497-Y516 WeakPolarHBondContact O-CE2 3.29Å |
| 498 | L | 94.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.9 | -42.1 | 178.3 | -175.8 | 62.4 | 0 | 0 | 0 | 111.9 | D494 D495 Y496 K500 A501 K513 Y516 | D494-L498 PolarHBondContact O-N 3.05Å; D495-L498 PolarHBondContact O-N 3.34Å; Y496-L498 VanDerWaalsContact C-N 3.31Å; Y496-L498 PolarHBondContact O-N 2.96Å; L498-K500 PolarHBondContact O-N 2.93Å; L498-A501 HydrophobicContact CD1-CB 4.41Å; L498-A501 WeakPolarHBondContact O-CB 3.49Å; L498-A501 PolarHBondContact O-N 2.9Å; L498-K513 HydrophobicContact CD2-CG 4.14Å; L498-Y516 HydrophobicContact CD1-CD2 4.5Å |
| 499 | E | 95.9 | Very high | 95.5 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 72% | 0.724 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.4 | -35.1 | 173.7 | -76.5 | 178.7 | -178.2 | 0 | 0 | 111.9 | D495 Y496 A501 | D495-E499 WeakPolarHBondContact O-CG 3.41Å; D495-E499 PolarHBondContact O-N 2.82Å; Y496-E499 PolarHBondContact O-N 3.43Å; E499-A501 VanDerWaalsContact C-N 3.35Å |
| 500 | K | 96.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 75 Ų | 75 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.6 | 178.4 | -65.7 | -72.4 | 174.5 | 178.1 | 0 | 114.1 | Y496 L497 L498 A502 E503 K504 | Y496-K500 HydrophobicContact CE1-CG 4.25Å; Y496-K500 HydrophobicContact CE2-CG 4.25Å; Y496-K500 WeakPolarHBondContact O-CB 3.32Å; Y496-K500 WeakPolarHBondContact O-CG 3.39Å; Y496-K500 PolarHBondContact O-N 2.71Å; Y496-K500 VanDerWaalsContact O-N 3.08Å; L497-K500 CarbonylContact O-C 3.32Å; L497-K500 PolarHBondContact O-N 3.1Å; L498-K500 PolarHBondContact O-N 2.93Å; K500-A502 VanDerWaalsContact C-N 3.29Å; K500-A502 PolarHBondContact O-N 3.33Å; K500-E503 VanDerWaalsContact CD-CD 3.43Å; K500-E503 VanDerWaalsContact CD-OE1 3.25Å; K500-E503 WeakPolarHBondContact CD-OE1 3.01Å; K500-E503 WeakPolarHBondContact CD-OE2 3.21Å; K500-E503 IonicContact NZ-OE1 3.43Å; K500-E503 PolarHBondContact NZ-OE1 3.32Å; K500-E503 IonicContact NZ-OE2 3.13Å; K500-E503 PolarHBondContact NZ-OE2 3.41Å; K500-E503 PolarHBondContact O-N 2.65Å; K500-E503 VanDerWaalsContact O-N 3.11Å; K500-K504 PolarHBondContact O-N 2.95Å |
| 501 | A | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 79.3 Ų | 79.3 | 2% | 0.017 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.7 | -36.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L497 L498 E499 E503 K504 Y505 T509 P510 Y516 | L497-A501 PolarHBondContact O-N 3.48Å; L497-A501 VanDerWaalsContact O-N 3.13Å; L498-A501 HydrophobicContact CD1-CB 4.41Å; L498-A501 WeakPolarHBondContact O-CB 3.49Å; L498-A501 PolarHBondContact O-N 2.9Å; E499-A501 VanDerWaalsContact C-N 3.35Å; A501-E503 VanDerWaalsContact C-N 3.28Å; A501-E503 PolarHBondContact O-N 2.85Å; A501-K504 PolarHBondContact O-N 2.68Å; A501-Y505 CarbonylContact O-C 3.49Å; A501-Y505 WeakPolarHBondContact O-CA 3.4Å; A501-Y505 PolarHBondContact O-N 2.81Å; A501-T509 HydrophobicContact CB-CG2 3.96Å; A501-P510 HydrophobicContact CB-CB 4.5Å; A501-Y516 HydrophobicContact CB-CD2 3.71Å; A501-Y516 HydrophobicContact CB-CE2 3.8Å |
| 502 | A | 96.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 73.5 Ų | 73.5 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.8 | -29.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K500 P506 T509 | K500-A502 VanDerWaalsContact C-N 3.29Å; K500-A502 PolarHBondContact O-N 3.33Å; A502-P506 WeakPolarHBondContact O-CA 3.45Å; A502-T509 HydrophobicContact CB-CG2 3.93Å |
| 503 | E | 96.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 71 Ų | 71 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -73.9 | -41.5 | 177.4 | -62.6 | 176 | -160.2 | 0 | 0 | 110.8 | K500 A501 | K500-E503 VanDerWaalsContact CD-CD 3.43Å; K500-E503 VanDerWaalsContact CD-OE1 3.25Å; K500-E503 WeakPolarHBondContact CD-OE1 3.01Å; K500-E503 WeakPolarHBondContact CD-OE2 3.21Å; K500-E503 IonicContact NZ-OE1 3.43Å; K500-E503 PolarHBondContact NZ-OE1 3.32Å; K500-E503 IonicContact NZ-OE2 3.13Å; K500-E503 PolarHBondContact NZ-OE2 3.41Å; K500-E503 PolarHBondContact O-N 2.65Å; K500-E503 VanDerWaalsContact O-N 3.11Å; A501-E503 VanDerWaalsContact C-N 3.28Å; A501-E503 PolarHBondContact O-N 2.85Å |
| 504 | K | 96.8 | Very high | 95.4 | Very high | 105 Ų | 105 | 70.9 Ų | 70.9 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -80.3 | -40 | -179.6 | -166.3 | -179.8 | -180 | -176 | 0 | 112.6 | K500 A501 Y516 E520 | K500-K504 PolarHBondContact O-N 2.95Å; A501-K504 PolarHBondContact O-N 2.68Å; K504-Y516 VanDerWaalsContact CD-OH 3.3Å; K504-Y516 WeakPolarHBondContact CD-OH 3.4Å; K504-E520 IonicContact NZ-OE1 2.66Å |
| 505 | Y | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | trans | -128.5 | 76.6 | -173.9 | -53.4 | -48.9 | 0 | 0 | 0 | 110.5 | A501 F507 T509 P510 Y516 R519 E523 | A501-Y505 CarbonylContact O-C 3.49Å; A501-Y505 WeakPolarHBondContact O-CA 3.4Å; A501-Y505 PolarHBondContact O-N 2.81Å; Y505-F507 VanDerWaalsContact C-N 3.32Å; Y505-F507 PolarHBondContact O-N 2.95Å; Y505-T509 WeakPolarHBondContact O-CA 3.28Å; Y505-T509 WeakPolarHBondContact O-CB 3.41Å; Y505-T509 PolarHBondContact O-OG1 3.07Å; Y505-P510 HydrophobicContact CD2-CG 3.95Å; Y505-Y516 HydrophobicContact CD2-CD2 4.35Å; Y505-Y516 HydrophobicContact CD2-CE2 4.12Å; Y505-Y516 HydrophobicContact CE2-CD2 4.22Å; Y505-Y516 HydrophobicContact CE2-CE1 4.18Å; Y505-Y516 AromaticContact CE2-CE2 3.87Å; Y505-Y516 HydrophobicContact CE2-CE2 3.87Å; Y505-Y516 AromaticContact CE2-CZ 3.85Å; Y505-R519 HydrophobicContact CD1-CG 4.09Å; Y505-R519 HydrophobicContact CD2-CG 3.78Å; Y505-R519 HydrophobicContact CE1-CG 4.2Å; Y505-R519 HydrophobicContact CE2-CB 4.4Å; Y505-R519 HydrophobicContact CE2-CG 3.86Å; Y505-R519 HydrophobicContact CG-CG 3.88Å; Y505-E523 HydrophobicContact CD1-CG 4.29Å; Y505-E523 HydrophobicContact CE1-CB 4.41Å; Y505-E523 HydrophobicContact CE1-CG 3.76Å | ||
| 506 | P | 96.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 62.3 Ų | 62.3 | 68% | 0.675 | 31% | 0.307 | S | S | * | . | trans | -70.3 | -27.3 | -176.8 | 27 | -35.5 | 0 | 0 | 0 | 113.4 | A502 T509 | A502-P506 WeakPolarHBondContact O-CA 3.45Å; P506-T509 PolarHBondContact O-OG1 2.89Å | ||
| 507 | F | 96.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.373 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -91.2 | 128.1 | 175 | -177.8 | -94.1 | 0 | 0 | 0 | 110.2 | Y505 T509 R519 S530 L533 | Y505-F507 VanDerWaalsContact C-N 3.32Å; Y505-F507 PolarHBondContact O-N 2.95Å; F507-T509 VanDerWaalsContact C-N 3.31Å; F507-T509 PolarHBondContact O-N 2.84Å; F507-R519 PolarHBondContact O-NH1 2.82Å; F507-R519 PolarHBondContact O-NH2 3.43Å; F507-S530 WeakPolarHBondContact CE1-O 3.41Å; F507-L533 WeakPolarHBondContact CE1-O 3.41Å |
| 508 | N | 95.3 | Very high | 96 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 46.8 | 54.8 | -176.1 | -82.6 | -17.5 | 0 | 0 | 0 | 112.1 | Y334 P510 R519 L533 P534 H535 F536 | Y334-N508 HydrophobicContact CE2-CB 4.18Å; Y334-N508 VanDerWaalsContact OH-CB 3.28Å; Y334-N508 WeakPolarHBondContact OH-CB 3.45Å; N508-P510 WeakPolarHBondContact O-CD 3.33Å; N508-R519 PolarHBondContact O-NH1 3.1Å; N508-L533 PolarHBondContact ND2-O 2.78Å; N508-P534 PolarHBondContact ND2-O 3.43Å; N508-P534 PolarHBondContact OD1-O 2.93Å; N508-H535 PolarHBondContact ND2-N 2.58Å; N508-F536 HydrophobicContact CB-CE2 4.2Å |
| 509 | T | 96.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | trans | -53.3 | 125.1 | -177.2 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | A501 A502 Y505 P506 F507 K511 | A501-T509 HydrophobicContact CB-CG2 3.96Å; A502-T509 HydrophobicContact CB-CG2 3.93Å; Y505-T509 WeakPolarHBondContact O-CA 3.28Å; Y505-T509 WeakPolarHBondContact O-CB 3.41Å; Y505-T509 PolarHBondContact O-OG1 3.07Å; P506-T509 PolarHBondContact O-OG1 2.89Å; F507-T509 VanDerWaalsContact C-N 3.31Å; F507-T509 PolarHBondContact O-N 2.84Å; T509-K511 PolarHBondContact O-N 3.19Å | ||
| 510 | P | 94.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | trans | -53.7 | 134.3 | 172.7 | -30.1 | 38 | 0 | 0 | 0 | 112.7 | A501 Y505 N508 S515 Y516 R519 | A501-P510 HydrophobicContact CB-CB 4.5Å; Y505-P510 HydrophobicContact CD2-CG 3.95Å; N508-P510 WeakPolarHBondContact O-CD 3.33Å; P510-S515 WeakPolarHBondContact CA-OG 3.49Å; P510-S515 WeakPolarHBondContact CB-OG 3.12Å; P510-Y516 HydrophobicContact CB-CD2 4.26Å; P510-Y516 HydrophobicContact CG-CD2 4.37Å; P510-R519 HydrophobicContact CG-CB 3.92Å; P510-R519 HydrophobicContact CG-CG 4.09Å | ||
| 511 | K | 92.9 | Very high | 96.3 | Very high | 173 Ų | 173 | 45.8 Ų | 45.8 | 75% | 0.752 | 23% | 0.232 | S | C | * | . | trans | -107.8 | -11.3 | 179.2 | -63.8 | -174.9 | 179.8 | 178.5 | 0 | 113.5 | T509 S515 | T509-K511 PolarHBondContact O-N 3.19Å; K511-S515 PolarHBondContact N-OG 3.09Å; K511-S515 VanDerWaalsContact N-OG 3.09Å | ||
| 512 | T | 93.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -132.3 | 155.7 | 177.3 | 67.4 | 0 | 0 | 0 | 0 | 109.7 | E514 S515 Y516 | T512-E514 PolarHBondContact O-N 3.23Å; T512-S515 PolarHBondContact N-OG 2.99Å; T512-S515 PolarHBondContact O-N 2.84Å; T512-S515 VanDerWaalsContact O-N 3.15Å; T512-S515 PolarHBondContact O-OG 3.38Å; T512-S515 PolarHBondContact OG1-N 2.99Å; T512-S515 VanDerWaalsContact OG1-N 3.12Å; T512-S515 PolarHBondContact OG1-OG 3.21Å; T512-Y516 PolarHBondContact O-N 3.18Å |
| 513 | K | 95.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.5 | -35.9 | 174.3 | -71.5 | 178.2 | 171.6 | -179.4 | 0 | 112.6 | I489 D490 V493 D495 L498 Y516 Y517 | I489-K513 HydrophobicContact CG2-CB 3.86Å; D490-K513 WeakPolarHBondContact OD1-CD 3.33Å; D490-K513 IonicContact OD1-NZ 3.04Å; V493-K513 HydrophobicContact CB-CB 4.09Å; V493-K513 HydrophobicContact CB-CG 4.19Å; V493-K513 HydrophobicContact CG1-CB 4.21Å; V493-K513 HydrophobicContact CG1-CG 4.03Å; V493-K513 VanDerWaalsContact O-CD 3.22Å; V493-K513 WeakPolarHBondContact O-CD 3.46Å; V493-K513 WeakPolarHBondContact O-CE 3.5Å; V493-K513 PolarHBondContact O-NZ 3.3Å; D495-K513 WeakPolarHBondContact OD1-CE 3.47Å; D495-K513 IonicContact OD1-NZ 3.69Å; D495-K513 PolarHBondContact OD1-NZ 2.76Å; L498-K513 HydrophobicContact CD2-CG 4.14Å; K513-Y516 WeakPolarHBondContact O-CB 3.43Å; K513-Y516 PolarHBondContact O-N 3.26Å; K513-Y517 WeakPolarHBondContact O-CB 3.26Å; K513-Y517 PolarHBondContact O-N 2.82Å |
| 514 | E | 95 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -49.1 | 175.4 | 176.6 | 173.3 | -172.9 | 0 | 0 | 113.4 | I336 R340 Q486 I489 T512 Y516 Y517 Y518 | I336-E514 HydrophobicContact CG2-CG 4.46Å; R340-E514 WeakPolarHBondContact CG-OE1 3.31Å; R340-E514 IonicContact CZ-OE1 2.85Å; R340-E514 IonicContact CZ-OE2 2.82Å; R340-E514 IonicContact NE-OE1 3.41Å; R340-E514 PolarHBondContact NE-OE1 3.3Å; R340-E514 IonicContact NE-OE2 2.65Å; R340-E514 PolarHBondContact NE-OE2 3.44Å; R340-E514 VanDerWaalsContact NH2-CD 3.32Å; R340-E514 IonicContact NH2-OE1 3.32Å; R340-E514 PolarHBondContact NH2-OE1 2.99Å; R340-E514 IonicContact NH2-OE2 2.76Å; R340-E514 PolarHBondContact NH2-OE2 3.1Å; Q486-E514 PolarHBondContact NE2-OE2 3.03Å; I489-E514 HydrophobicContact CD1-CB 3.86Å; I489-E514 HydrophobicContact CD1-CG 3.73Å; I489-E514 HydrophobicContact CG2-CB 4.42Å; T512-E514 PolarHBondContact O-N 3.23Å; E514-Y516 PolarHBondContact O-N 3.11Å; E514-Y517 PolarHBondContact O-N 3.36Å; E514-Y518 HydrophobicContact CG-CD2 3.93Å; E514-Y518 HydrophobicContact CG-CE1 4.2Å; E514-Y518 HydrophobicContact CG-CE2 3.41Å; E514-Y518 VanDerWaalsContact CG-CE2 3.41Å; E514-Y518 PolarHBondContact O-N 3.34Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.35Å; E514-Y518 PolarHBondContact OE1-OH 3.4Å |
| 515 | S | 95.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -31.3 | 173.4 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | P510 K511 T512 R519 | P510-S515 WeakPolarHBondContact CA-OG 3.49Å; P510-S515 WeakPolarHBondContact CB-OG 3.12Å; K511-S515 PolarHBondContact N-OG 3.09Å; K511-S515 VanDerWaalsContact N-OG 3.09Å; T512-S515 PolarHBondContact N-OG 2.99Å; T512-S515 PolarHBondContact O-N 2.84Å; T512-S515 VanDerWaalsContact O-N 3.15Å; T512-S515 PolarHBondContact O-OG 3.38Å; T512-S515 PolarHBondContact OG1-N 2.99Å; T512-S515 VanDerWaalsContact OG1-N 3.12Å; T512-S515 PolarHBondContact OG1-OG 3.21Å; S515-R519 WeakPolarHBondContact O-CB 3.29Å; S515-R519 PolarHBondContact O-N 2.87Å |
| 516 | Y | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -48.6 | 177.2 | -169.7 | -74.3 | 0 | 0 | 0 | 110.8 | V493 L497 L498 A501 K504 Y505 P510 T512 K513 E514 Y518 R519 E520 | V493-Y516 HydrophobicContact CG1-CD1 3.87Å; V493-Y516 HydrophobicContact CG1-CE1 4.48Å; V493-Y516 HydrophobicContact CG1-CG 4.08Å; V493-Y516 HydrophobicContact CG2-CD1 4.09Å; L497-Y516 HydrophobicContact CB-CE1 4.37Å; L497-Y516 HydrophobicContact CB-CE2 4.45Å; L497-Y516 WeakPolarHBondContact O-CE2 3.29Å; L498-Y516 HydrophobicContact CD1-CD2 4.5Å; A501-Y516 HydrophobicContact CB-CD2 3.71Å; A501-Y516 HydrophobicContact CB-CE2 3.8Å; K504-Y516 VanDerWaalsContact CD-OH 3.3Å; K504-Y516 WeakPolarHBondContact CD-OH 3.4Å; Y505-Y516 HydrophobicContact CD2-CD2 4.35Å; Y505-Y516 HydrophobicContact CD2-CE2 4.12Å; Y505-Y516 HydrophobicContact CE2-CD2 4.22Å; Y505-Y516 HydrophobicContact CE2-CE1 4.18Å; Y505-Y516 AromaticContact CE2-CE2 3.87Å; Y505-Y516 HydrophobicContact CE2-CE2 3.87Å; Y505-Y516 AromaticContact CE2-CZ 3.85Å; P510-Y516 HydrophobicContact CB-CD2 4.26Å; P510-Y516 HydrophobicContact CG-CD2 4.37Å; T512-Y516 PolarHBondContact O-N 3.18Å; K513-Y516 WeakPolarHBondContact O-CB 3.43Å; K513-Y516 PolarHBondContact O-N 3.26Å; E514-Y516 PolarHBondContact O-N 3.11Å; Y516-Y518 PolarHBondContact O-N 3.22Å; Y516-R519 WeakPolarHBondContact O-CB 3.15Å; Y516-R519 PolarHBondContact O-N 3.05Å; Y516-E520 WeakPolarHBondContact O-CB 3.38Å; Y516-E520 PolarHBondContact O-N 2.77Å |
| 517 | Y | 97.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 41 Ų | 41 | 13% | 0.125 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 178.8 | -175.8 | -104.6 | 0 | 0 | 0 | 111.8 | L324 Y488 I489 Q492 V493 K513 E514 R519 E520 I521 | L324-Y517 HydrophobicContact CD1-CE1 4.13Å; Y488-Y517 HydrophobicContact CE1-CE1 4.16Å; Y488-Y517 AromaticContact CE1-CZ 3.81Å; Y488-Y517 WeakPolarHBondContact CE1-OH 3.43Å; Y488-Y517 PolarHBondContact OH-OH 3.26Å; I489-Y517 HydrophobicContact CD1-CD1 4.24Å; I489-Y517 HydrophobicContact CG1-CD1 3.92Å; I489-Y517 HydrophobicContact CG1-CE1 4.49Å; I489-Y517 HydrophobicContact CG1-CG 4.16Å; Q492-Y517 HydrophobicContact CB-CD2 3.83Å; Q492-Y517 HydrophobicContact CB-CE2 3.79Å; Q492-Y517 HydrophobicContact CG-CD2 4.27Å; Q492-Y517 HydrophobicContact CG-CE2 3.79Å; V493-Y517 HydrophobicContact CG2-CD2 4.21Å; K513-Y517 WeakPolarHBondContact O-CB 3.26Å; K513-Y517 PolarHBondContact O-N 2.82Å; E514-Y517 PolarHBondContact O-N 3.36Å; Y517-R519 VanDerWaalsContact C-N 3.34Å; Y517-R519 PolarHBondContact O-N 2.88Å; Y517-E520 PolarHBondContact O-N 3.37Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.44Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.44Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.39Å; Y517-I521 VanDerWaalsContact O-N 3.1Å |
| 518 | Y | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.7 | -63.3 | -15.1 | 0 | 0 | 0 | 112.1 | L324 I328 V339 I489 E514 Y516 E520 I521 F522 | L324-Y518 HydrophobicContact CD2-CE1 3.98Å; I328-Y518 HydrophobicContact CD1-CD1 3.86Å; I328-Y518 HydrophobicContact CD1-CG 4.17Å; V339-Y518 HydrophobicContact CB-CD2 3.86Å; V339-Y518 HydrophobicContact CB-CE2 3.71Å; V339-Y518 HydrophobicContact CB-CG 4.44Å; V339-Y518 HydrophobicContact CG1-CD1 4.08Å; V339-Y518 HydrophobicContact CG1-CD2 3.91Å; V339-Y518 HydrophobicContact CG1-CE1 3.82Å; V339-Y518 HydrophobicContact CG1-CE2 3.6Å; V339-Y518 HydrophobicContact CG1-CG 4.13Å; V339-Y518 HydrophobicContact CG2-CD2 4.12Å; V339-Y518 HydrophobicContact CG2-CE2 4.48Å; V339-Y518 HydrophobicContact CG2-CG 4.44Å; I489-Y518 HydrophobicContact CD1-CE1 4.25Å; E514-Y518 HydrophobicContact CG-CD2 3.93Å; E514-Y518 HydrophobicContact CG-CE1 4.2Å; E514-Y518 HydrophobicContact CG-CE2 3.41Å; E514-Y518 VanDerWaalsContact CG-CE2 3.41Å; E514-Y518 PolarHBondContact O-N 3.34Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.35Å; E514-Y518 PolarHBondContact OE1-OH 3.4Å; Y516-Y518 PolarHBondContact O-N 3.22Å; Y518-E520 VanDerWaalsContact C-N 3.32Å; Y518-E520 PolarHBondContact O-N 3.35Å; Y518-I521 PolarHBondContact O-N 3.11Å; Y518-F522 WeakPolarHBondContact O-CB 3.3Å; Y518-F522 PolarHBondContact O-N 3.25Å |
| 519 | R | 97.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 175.5 | -178.7 | 57.7 | 176.1 | -81.8 | -6.3 | 111.9 | Y334 Y505 F507 N508 P510 S515 Y516 Y517 F522 E523 S530 | Y334-R519 HydrophobicContact CD2-CB 4.46Å; Y505-R519 HydrophobicContact CD1-CG 4.09Å; Y505-R519 HydrophobicContact CD2-CG 3.78Å; Y505-R519 HydrophobicContact CE1-CG 4.2Å; Y505-R519 HydrophobicContact CE2-CB 4.4Å; Y505-R519 HydrophobicContact CE2-CG 3.86Å; Y505-R519 HydrophobicContact CG-CG 3.88Å; F507-R519 PolarHBondContact O-NH1 2.82Å; F507-R519 PolarHBondContact O-NH2 3.43Å; N508-R519 PolarHBondContact O-NH1 3.1Å; P510-R519 HydrophobicContact CG-CB 3.92Å; P510-R519 HydrophobicContact CG-CG 4.09Å; S515-R519 WeakPolarHBondContact O-CB 3.29Å; S515-R519 PolarHBondContact O-N 2.87Å; Y516-R519 WeakPolarHBondContact O-CB 3.15Å; Y516-R519 PolarHBondContact O-N 3.05Å; Y517-R519 VanDerWaalsContact C-N 3.34Å; Y517-R519 PolarHBondContact O-N 2.88Å; R519-F522 PolarHBondContact O-N 3.13Å; R519-E523 HydrophobicContact CG-CG 4.3Å; R519-E523 IonicContact CZ-OE1 3.55Å; R519-E523 VanDerWaalsContact CZ-OE1 3.29Å; R519-E523 IonicContact NE-OE1 2.71Å; R519-E523 PolarHBondContact NE-OE1 3.41Å; R519-E523 IonicContact NH2-OE1 3.35Å; R519-E523 PolarHBondContact NH2-OE1 2.92Å; R519-E523 WeakPolarHBondContact O-CB 3.19Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 3.08Å; R519-S530 PolarHBondContact NH2-OG 3.26Å |
| 520 | E | 97.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 177.3 | -177.4 | 164.6 | -163.5 | 0 | 0 | 112.4 | K504 Y516 Y517 Y518 F522 E523 K524 | K504-E520 IonicContact NZ-OE1 2.66Å; Y516-E520 WeakPolarHBondContact O-CB 3.38Å; Y516-E520 PolarHBondContact O-N 2.77Å; Y517-E520 PolarHBondContact O-N 3.37Å; Y518-E520 VanDerWaalsContact C-N 3.32Å; Y518-E520 PolarHBondContact O-N 3.35Å; E520-F522 VanDerWaalsContact C-N 3.32Å; E520-F522 PolarHBondContact O-N 3.35Å; E520-E523 PolarHBondContact O-N 3.38Å; E520-K524 WeakPolarHBondContact O-CB 3.47Å; E520-K524 PolarHBondContact O-N 3.44Å |
| 521 | I | 98.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 172.5 | -64.8 | 172.6 | 0 | 0 | 0 | 110.6 | E325 I328 Y517 Y518 K524 H525 | E325-I521 HydrophobicContact CB-CG2 4.38Å; E325-I521 HydrophobicContact CG-CG2 4.11Å; I328-I521 HydrophobicContact CB-CG2 3.81Å; I328-I521 HydrophobicContact CD1-CB 3.84Å; I328-I521 HydrophobicContact CD1-CD1 3.84Å; I328-I521 HydrophobicContact CD1-CG1 4.44Å; I328-I521 HydrophobicContact CD1-CG2 3.79Å; I328-I521 HydrophobicContact CG1-CG2 4.4Å; I328-I521 HydrophobicContact CG2-CB 4.33Å; I328-I521 HydrophobicContact CG2-CG2 3.75Å; Y517-I521 HydrophobicContact CD1-CD1 4Å; Y517-I521 HydrophobicContact CE1-CD1 3.44Å; Y517-I521 VanDerWaalsContact CE1-CD1 3.44Å; Y517-I521 HydrophobicContact CE1-CG1 4.48Å; Y517-I521 PolarHBondContact O-N 3.39Å; Y517-I521 VanDerWaalsContact O-N 3.1Å; Y518-I521 PolarHBondContact O-N 3.11Å; I521-K524 WeakPolarHBondContact O-CB 3.47Å; I521-K524 PolarHBondContact O-N 3.29Å; I521-H525 PolarHBondContact O-CD2 3.4Å; I521-H525 VanDerWaalsContact O-CD2 3.23Å; I521-H525 PolarHBondContact O-N 3.33Å |
| 522 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 177.4 | 174.1 | -88.8 | 0 | 0 | 0 | 111.7 | I328 E332 Y334 Y518 R519 E520 K524 H525 Y526 Q529 W532 | I328-F522 HydrophobicContact CG2-CB 4.04Å; E332-F522 WeakPolarHBondContact O-CE2 3.03Å; Y334-F522 HydrophobicContact CD1-CB 4.2Å; Y334-F522 AromaticContact CD1-CD1 3.65Å; Y334-F522 HydrophobicContact CD1-CD1 3.65Å; Y334-F522 AromaticContact CD1-CD2 3.93Å; Y334-F522 HydrophobicContact CD1-CD2 3.93Å; Y334-F522 AromaticContact CD1-CE1 3.99Å; Y334-F522 HydrophobicContact CD1-CE1 3.99Å; Y334-F522 HydrophobicContact CD1-CE2 4.22Å; Y334-F522 AromaticContact CD1-CG 3.63Å; Y334-F522 HydrophobicContact CD1-CG 3.63Å; Y334-F522 HydrophobicContact CD1-CZ 4.25Å; Y334-F522 HydrophobicContact CE1-CD1 4.18Å; Y334-F522 HydrophobicContact CE1-CE1 4.13Å; Y334-F522 HydrophobicContact CE1-CZ 4.43Å; Y334-F522 HydrophobicContact CG-CB 4.43Å; Y334-F522 HydrophobicContact CG-CG 4.34Å; Y518-F522 WeakPolarHBondContact O-CB 3.3Å; Y518-F522 PolarHBondContact O-N 3.25Å; R519-F522 PolarHBondContact O-N 3.13Å; E520-F522 VanDerWaalsContact C-N 3.32Å; E520-F522 PolarHBondContact O-N 3.35Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.4Å; F522-H525 PolarHBondContact O-N 3.33Å; F522-H525 VanDerWaalsContact O-N 3.11Å; F522-Y526 AromaticContact CD2-CD2 3.79Å; F522-Y526 HydrophobicContact CD2-CD2 3.79Å; F522-Y526 AromaticContact CE2-CD2 3.7Å; F522-Y526 HydrophobicContact CE2-CD2 3.7Å; F522-Y526 HydrophobicContact CE2-CG 4.16Å; F522-Y526 HydrophobicContact CZ-CD2 4.39Å; F522-Y526 HydrophobicContact CZ-CG 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.38Å; F522-Y526 WeakPolarHBondContact O-CB 3.4Å; F522-Y526 PolarHBondContact O-N 3.32Å; F522-Q529 HydrophobicContact CE1-CB 4.43Å; F522-Q529 HydrophobicContact CZ-CB 4.14Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.38Å; F522-W532 HydrophobicContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å |
| 523 | E | 97.2 | Very high | 96 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.8 | -25 | -179.6 | -67.1 | -77 | 179.7 | 0 | 0 | 112.6 | Y505 R519 E520 H525 S527 G528 | Y505-E523 HydrophobicContact CD1-CG 4.29Å; Y505-E523 HydrophobicContact CE1-CB 4.41Å; Y505-E523 HydrophobicContact CE1-CG 3.76Å; R519-E523 HydrophobicContact CG-CG 4.3Å; R519-E523 IonicContact CZ-OE1 3.55Å; R519-E523 VanDerWaalsContact CZ-OE1 3.29Å; R519-E523 IonicContact NE-OE1 2.71Å; R519-E523 PolarHBondContact NE-OE1 3.41Å; R519-E523 IonicContact NH2-OE1 3.35Å; R519-E523 PolarHBondContact NH2-OE1 2.92Å; R519-E523 WeakPolarHBondContact O-CB 3.19Å; R519-E523 VanDerWaalsContact O-CG 3.26Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 3.08Å; E520-E523 PolarHBondContact O-N 3.38Å; E523-H525 VanDerWaalsContact C-N 3.33Å; E523-S527 VanDerWaalsContact O-CA 3.29Å; E523-S527 WeakPolarHBondContact O-CA 3.36Å; E523-S527 WeakPolarHBondContact O-CB 3.39Å; E523-S527 PolarHBondContact O-N 2.81Å; E523-S527 WeakPolarHBondContact OE2-CA 3.41Å; E523-G528 PolarHBondContact OE2-N 3.03Å |
| 524 | K | 97.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 32.2 Ų | 32.2 | 58% | 0.578 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.8 | -39.2 | 170.1 | 179.1 | -169.9 | 179.6 | -172.1 | 0 | 112 | E325 E520 I521 F522 | E325-K524 IonicContact OE1-NZ 2.8Å; E325-K524 PolarHBondContact OE1-NZ 2.88Å; E325-K524 IonicContact OE2-NZ 3.69Å; E325-K524 PolarHBondContact OE2-NZ 3.41Å; E520-K524 WeakPolarHBondContact O-CB 3.47Å; E520-K524 PolarHBondContact O-N 3.44Å; I521-K524 WeakPolarHBondContact O-CB 3.47Å; I521-K524 PolarHBondContact O-N 3.29Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.4Å |
| 525 | H | 96.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 27% | 0.269 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -94.3 | -31.9 | -179.1 | -66 | -67.6 | 0 | 0 | 0 | 113.7 | E325 F329 I521 F522 E523 | E325-H525 VanDerWaalsContact CG-NE2 3.26Å; E325-H525 WeakPolarHBondContact CG-NE2 3.47Å; E325-H525 IonicContact OE1-CE1 2.74Å; E325-H525 PolarHBondContact OE1-CE1 2.9Å; E325-H525 IonicContact OE1-NE2 3.19Å; E325-H525 PolarHBondContact OE1-NE2 3.2Å; F329-H525 HydrophobicContact CD2-CB 4.23Å; F329-H525 AromaticContact CD2-CG 3.95Å; F329-H525 AromaticContact CD2-ND1 3.76Å; I521-H525 PolarHBondContact O-CD2 3.4Å; I521-H525 VanDerWaalsContact O-CD2 3.23Å; I521-H525 PolarHBondContact O-N 3.33Å; F522-H525 PolarHBondContact O-N 3.33Å; F522-H525 VanDerWaalsContact O-N 3.11Å; E523-H525 VanDerWaalsContact C-N 3.33Å |
| 526 | Y | 95.1 | Very high | 96 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -134.1 | 52.3 | -168.3 | -55.7 | -58.3 | 0 | 0 | 0 | 111.2 | K162 T165 F329 E332 F522 G528 Q529 W532 | K162-Y526 HydrophobicContact CB-CE1 3.89Å; K162-Y526 WeakPolarHBondContact CE-OH 3.07Å; T165-Y526 HydrophobicContact CG2-CD1 4.1Å; T165-Y526 HydrophobicContact CG2-CE1 4.44Å; F329-Y526 VanDerWaalsContact CD2-OH 3.24Å; F329-Y526 WeakPolarHBondContact CD2-OH 3.43Å; F329-Y526 WeakPolarHBondContact CE2-OH 3.46Å; F329-Y526 PolarHBondContact O-OH 2.84Å; E332-Y526 HydrophobicContact CB-CE2 4.19Å; E332-Y526 HydrophobicContact CG-CE2 4.02Å; F522-Y526 AromaticContact CD2-CD2 3.79Å; F522-Y526 HydrophobicContact CD2-CD2 3.79Å; F522-Y526 AromaticContact CE2-CD2 3.7Å; F522-Y526 HydrophobicContact CE2-CD2 3.7Å; F522-Y526 HydrophobicContact CE2-CG 4.16Å; F522-Y526 HydrophobicContact CZ-CD2 4.39Å; F522-Y526 HydrophobicContact CZ-CG 4.42Å; F522-Y526 WeakPolarHBondContact O-CA 3.38Å; F522-Y526 WeakPolarHBondContact O-CB 3.4Å; F522-Y526 PolarHBondContact O-N 3.32Å; Y526-G528 PolarHBondContact O-N 3.09Å; Y526-Q529 VanDerWaalsContact O-CB 3.29Å; Y526-Q529 WeakPolarHBondContact O-CB 3.17Å; Y526-Q529 PolarHBondContact O-N 3.37Å; Y526-W532 AromaticContact CD1-CH2 3.75Å; Y526-W532 HydrophobicContact CD1-CH2 3.75Å; Y526-W532 AromaticContact CD1-CZ3 3.73Å; Y526-W532 HydrophobicContact CD1-CZ3 3.73Å; Y526-W532 HydrophobicContact CD2-CZ3 4.21Å; Y526-W532 HydrophobicContact CE1-CH2 4.42Å; Y526-W532 HydrophobicContact CE1-CZ3 4.31Å; Y526-W532 HydrophobicContact CG-CH2 4.09Å; Y526-W532 AromaticContact CG-CZ3 3.68Å; Y526-W532 HydrophobicContact CG-CZ3 3.68Å |
| 527 | S | 93.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 124 | -176.7 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | E523 Q529 | E523-S527 VanDerWaalsContact O-CA 3.29Å; E523-S527 WeakPolarHBondContact O-CA 3.36Å; E523-S527 WeakPolarHBondContact O-CB 3.39Å; E523-S527 PolarHBondContact O-N 2.81Å; E523-S527 WeakPolarHBondContact OE2-CA 3.41Å; S527-Q529 VanDerWaalsContact C-N 3.27Å; S527-Q529 PolarHBondContact O-N 3.27Å |
| 528 | G | 90.2 | Very high | 95.5 | Very high | 55 Ų | 55 | 39 Ų | 39 | 57% | 0.567 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E523 Y526 | E523-G528 PolarHBondContact OE2-N 3.03Å; Y526-G528 PolarHBondContact O-N 3.09Å |
| 529 | Q | 94.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | trans | -96.9 | 15.7 | -174.9 | -57.8 | -61.9 | -23.8 | 0 | 0 | 113.9 | F522 Y526 S527 S531 W532 | F522-Q529 HydrophobicContact CE1-CB 4.43Å; F522-Q529 HydrophobicContact CZ-CB 4.14Å; Y526-Q529 VanDerWaalsContact O-CB 3.29Å; Y526-Q529 WeakPolarHBondContact O-CB 3.17Å; Y526-Q529 PolarHBondContact O-N 3.37Å; S527-Q529 VanDerWaalsContact C-N 3.27Å; S527-Q529 PolarHBondContact O-N 3.27Å; Q529-S531 PolarHBondContact O-N 2.59Å; Q529-W532 HydrophobicContact CB-CD2 3.86Å; Q529-W532 HydrophobicContact CB-CE3 4.06Å; Q529-W532 HydrophobicContact CB-CH2 3.71Å; Q529-W532 HydrophobicContact CB-CZ2 3.49Å; Q529-W532 VanDerWaalsContact CB-CZ2 3.49Å; Q529-W532 HydrophobicContact CB-CZ3 3.98Å; Q529-W532 HydrophobicContact CG-CH2 3.75Å; Q529-W532 HydrophobicContact CG-CZ2 3.48Å; Q529-W532 VanDerWaalsContact CG-CZ2 3.48Å; Q529-W532 HydrophobicContact CG-CZ3 4.49Å; Q529-W532 VanDerWaalsContact O-CG 3.31Å; Q529-W532 PolarHBondContact O-N 2.95Å; Q529-W532 VanDerWaalsContact O-N 3.1Å | ||
| 530 | S | 94 | Very high | 94.8 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -58.8 | -21.1 | -175.8 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | Y334 F507 R519 W532 L533 | Y334-S530 PolarHBondContact OH-O 3.25Å; Y334-S530 VanDerWaalsContact OH-O 3.08Å; F507-S530 WeakPolarHBondContact CE1-O 3.41Å; R519-S530 PolarHBondContact NH2-OG 3.26Å; S530-W532 PolarHBondContact O-N 3.04Å; S530-L533 PolarHBondContact O-N 2.88Å |
| 531 | S | 94.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -66.8 | -10.6 | 176.8 | 63 | 0 | 0 | 0 | 0 | 114.9 | Q529 L533 | Q529-S531 PolarHBondContact O-N 2.59Å; S531-L533 PolarHBondContact O-N 3.44Å |
| 532 | W | 96.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -61.8 | -28.6 | 170.6 | -62.9 | -12.9 | 0 | 0 | 0 | 112.7 | A161 T165 V177 E332 F522 Y526 Q529 S530 P534 | A161-W532 HydrophobicContact CB-CD2 4.23Å; A161-W532 HydrophobicContact CB-CE3 4.03Å; A161-W532 HydrophobicContact CB-CH2 3.36Å; A161-W532 HydrophobicContact CB-CZ2 3.56Å; A161-W532 HydrophobicContact CB-CZ3 3.61Å; T165-W532 HydrophobicContact CG2-CH2 3.77Å; T165-W532 HydrophobicContact CG2-CZ2 4.21Å; V177-W532 HydrophobicContact CB-CZ2 3.81Å; V177-W532 HydrophobicContact CG1-CZ2 3.94Å; V177-W532 HydrophobicContact CG2-CZ2 4.32Å; V177-W532 PolarHBondContact O-NE1 3.44Å; E332-W532 HydrophobicContact CB-CE3 4.09Å; E332-W532 HydrophobicContact CB-CZ3 4Å; F522-W532 HydrophobicContact CE2-CE3 4.11Å; F522-W532 HydrophobicContact CE2-CZ3 4.38Å; F522-W532 HydrophobicContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CZ3 4.35Å; Y526-W532 AromaticContact CD1-CH2 3.75Å; Y526-W532 HydrophobicContact CD1-CH2 3.75Å; Y526-W532 AromaticContact CD1-CZ3 3.73Å; Y526-W532 HydrophobicContact CD1-CZ3 3.73Å; Y526-W532 HydrophobicContact CD2-CZ3 4.21Å; Y526-W532 HydrophobicContact CE1-CH2 4.42Å; Y526-W532 HydrophobicContact CE1-CZ3 4.31Å; Y526-W532 HydrophobicContact CG-CH2 4.09Å; Y526-W532 AromaticContact CG-CZ3 3.68Å; Y526-W532 HydrophobicContact CG-CZ3 3.68Å; Q529-W532 HydrophobicContact CB-CD2 3.86Å; Q529-W532 HydrophobicContact CB-CE3 4.06Å; Q529-W532 HydrophobicContact CB-CH2 3.71Å; Q529-W532 HydrophobicContact CB-CZ2 3.49Å; Q529-W532 VanDerWaalsContact CB-CZ2 3.49Å; Q529-W532 HydrophobicContact CB-CZ3 3.98Å; Q529-W532 HydrophobicContact CG-CH2 3.75Å; Q529-W532 HydrophobicContact CG-CZ2 3.48Å; Q529-W532 VanDerWaalsContact CG-CZ2 3.48Å; Q529-W532 HydrophobicContact CG-CZ3 4.49Å; Q529-W532 VanDerWaalsContact O-CG 3.31Å; Q529-W532 PolarHBondContact O-N 2.95Å; Q529-W532 VanDerWaalsContact O-N 3.1Å; S530-W532 PolarHBondContact O-N 3.04Å; W532-P534 WeakPolarHBondContact O-CD 3.25Å |
| 533 | L | 97.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -104.4 | 105.7 | 170.6 | -177.9 | 67.8 | 0 | 0 | 0 | 108.9 | Y334 D335 F400 F507 N508 S530 S531 H535 F536 | Y334-L533 HydrophobicContact CD2-CD2 4.09Å; Y334-L533 HydrophobicContact CE1-CB 4.03Å; Y334-L533 HydrophobicContact CE1-CD2 4.27Å; Y334-L533 HydrophobicContact CE2-CD2 3.81Å; Y334-L533 HydrophobicContact CG-CD2 4.45Å; D335-L533 HydrophobicContact CB-CD1 4.41Å; D335-L533 HydrophobicContact CB-CD2 3.83Å; F400-L533 HydrophobicContact CE1-CD1 3.88Å; F400-L533 HydrophobicContact CZ-CD1 4.4Å; F507-L533 WeakPolarHBondContact CE1-O 3.41Å; N508-L533 PolarHBondContact ND2-O 2.78Å; S530-L533 PolarHBondContact O-N 2.88Å; S531-L533 PolarHBondContact O-N 3.44Å; L533-H535 VanDerWaalsContact C-N 3.35Å; L533-H535 WeakPolarHBondContact CD1-O 3.5Å; L533-H535 WeakPolarHBondContact CG-O 3.33Å; L533-H535 PolarHBondContact O-N 3.07Å; L533-F536 HydrophobicContact CD2-CD1 4.4Å |
| 534 | P | 96.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | trans | -69.8 | -31.3 | -179.7 | 25.6 | -32.9 | 0 | 0 | 0 | 112.9 | L399 N508 W532 | L399-P534 HydrophobicContact CD1-CG 3.74Å; N508-P534 PolarHBondContact ND2-O 3.43Å; N508-P534 PolarHBondContact OD1-O 2.93Å; W532-P534 WeakPolarHBondContact O-CD 3.25Å | ||
| 535 | H | 95.2 | Very high | 91 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -156.9 | 156.8 | 180 | 54 | -89.2 | 0 | 0 | 0 | 111.4 | E396 F400 N508 L533 | E396-H535 VanDerWaalsContact CD-NE2 3.29Å; E396-H535 IonicContact OE1-CE1 2.66Å; E396-H535 IonicContact OE1-NE2 2.65Å; E396-H535 IonicContact OE2-CD2 2.68Å; E396-H535 IonicContact OE2-CE1 3.88Å; E396-H535 PolarHBondContact OE2-CE1 2.85Å; E396-H535 IonicContact OE2-NE2 3.93Å; E396-H535 PolarHBondContact OE2-NE2 3.23Å; F400-H535 AromaticContact CE2-NE2 3.95Å; F400-H535 AromaticContact CZ-CD2 3.88Å; F400-H535 AromaticContact CZ-NE2 3.85Å; N508-H535 PolarHBondContact ND2-N 2.58Å; L533-H535 VanDerWaalsContact C-N 3.35Å; L533-H535 WeakPolarHBondContact CD1-O 3.5Å; L533-H535 WeakPolarHBondContact CG-O 3.33Å; L533-H535 PolarHBondContact O-N 3.07Å |
| 536 | F | 94.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 17% | 0.167 | 29% | 0.285 | C | S | . | . | trans | -70.7 | 145.7 | 169 | -71 | -80.6 | 0 | 0 | 0 | 110.9 | Y334 D335 N508 L533 M538 | Y334-F536 AromaticContact CD2-CE1 3.77Å; Y334-F536 HydrophobicContact CD2-CE1 3.77Å; Y334-F536 AromaticContact CD2-CZ 3.66Å; Y334-F536 HydrophobicContact CD2-CZ 3.66Å; Y334-F536 HydrophobicContact CE2-CE1 4.01Å; Y334-F536 HydrophobicContact CE2-CE2 4.2Å; Y334-F536 AromaticContact CE2-CZ 3.57Å; Y334-F536 HydrophobicContact CE2-CZ 3.57Å; D335-F536 WeakPolarHBondContact OD1-CA 3.09Å; N508-F536 HydrophobicContact CB-CE2 4.2Å; L533-F536 HydrophobicContact CD2-CD1 4.4Å; F536-M538 HydrophobicContact CB-CG 4.49Å; F536-M538 PolarHBondContact O-N 3.04Å | ||
| 537 | W | 93.2 | Very high | 89 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 8% | 0.076 | 29% | 0.287 | C | S | . | . | trans | -64.6 | 126 | 170 | -171.8 | 96.4 | 0 | 0 | 0 | 109.1 | D335 T337 Y374 Y376 F400 P547 | D335-W537 PolarHBondContact OD1-N 2.81Å; T337-W537 HydrophobicContact CG2-CE3 4.31Å; Y374-W537 HydrophobicContact CD1-CZ2 4.36Å; Y374-W537 HydrophobicContact CD2-CZ2 4.23Å; Y374-W537 HydrophobicContact CE1-CZ2 4.23Å; Y374-W537 HydrophobicContact CE2-CZ2 4.12Å; Y374-W537 HydrophobicContact CG-CZ2 4.37Å; Y376-W537 HydrophobicContact CE1-CH2 4.35Å; Y376-W537 HydrophobicContact CE1-CZ2 4.32Å; F400-W537 HydrophobicContact CD1-CB 3.74Å; F400-W537 HydrophobicContact CD1-CG 4.39Å; F400-W537 AromaticContact CD2-CD1 3.7Å; F400-W537 HydrophobicContact CE1-CB 3.58Å; F400-W537 HydrophobicContact CE2-CB 4.38Å; F400-W537 HydrophobicContact CG-CB 4.22Å; F400-W537 AromaticContact CG-CD1 3.79Å; F400-W537 HydrophobicContact CG-CG 4.39Å; F400-W537 HydrophobicContact CZ-CB 3.92Å; W537-P547 HydrophobicContact CE3-CB 3.66Å; W537-P547 HydrophobicContact CZ3-CB 4Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.33Å | ||
| 538 | M | 90.8 | Very high | 87.7 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | trans | -142.1 | 140.4 | 179.5 | -66.7 | -60.5 | -64.2 | 0 | 0 | 110.8 | F536 A544 P547 | F536-M538 HydrophobicContact CB-CG 4.49Å; F536-M538 PolarHBondContact O-N 3.04Å; M538-A544 HydrophobicContact CE-CB 4.08Å; M538-A544 WeakPolarHBondContact CE-O 3.5Å; M538-P547 HydrophobicContact SD-CB 4.04Å | ||
| 539 | P | 90.2 | Very high | 86.3 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -68.1 | 142.8 | 175.7 | 28.9 | -34.7 | 0 | 0 | 0 | 111.3 | Y376 A544 | Y376-P539 HydrophobicContact CD1-CB 3.65Å; Y376-P539 HydrophobicContact CD2-CB 4.35Å; Y376-P539 HydrophobicContact CE1-CB 4.21Å; Y376-P539 HydrophobicContact CG-CB 3.73Å; P539-A544 HydrophobicContact CG-CB 4.14Å | ||
| 540 | R | 90.7 | Very high | 84.7 | Confident | 103 Ų | 103 | 49 Ų | 49 | 39% | 0.389 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -81.4 | 162.6 | 171.6 | -75.5 | -161.3 | 175 | 179.1 | -5.9 | 112.3 | Y376 E389 I542 | Y376-R540 HydrophobicContact CD2-CB 4.16Å; Y376-R540 WeakPolarHBondContact CD2-O 3.34Å; Y376-R540 HydrophobicContact CE2-CB 3.93Å; E389-R540 WeakPolarHBondContact OE2-CD 3.15Å; E389-R540 IonicContact OE2-CZ 2.71Å; E389-R540 IonicContact OE2-NE 3.71Å; E389-R540 PolarHBondContact OE2-NE 3.21Å; E389-R540 IonicContact OE2-NH1 3.58Å; R540-I542 PolarHBondContact O-N 3.48Å |
| 541 | W | 92.6 | Very high | 82.8 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 28% | 0.277 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 59.9 | 13.7 | 175.4 | -42.3 | -64.6 | 0 | 0 | 0 | 115.1 | Y376 F377 K379 A380 P381 E385 E389 | Y376-W541 AromaticContact CD2-CE3 3.7Å; Y376-W541 HydrophobicContact CD2-CE3 3.7Å; Y376-W541 AromaticContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CD2-CZ3 3.72Å; Y376-W541 HydrophobicContact CE2-CE3 4.23Å; Y376-W541 AromaticContact CE2-CZ3 3.89Å; Y376-W541 HydrophobicContact CE2-CZ3 3.89Å; F377-W541 HydrophobicContact CD1-CH2 4.21Å; F377-W541 HydrophobicContact CD1-CZ3 4.06Å; F377-W541 HydrophobicContact CE1-CH2 4.34Å; F377-W541 HydrophobicContact CE1-CZ3 4.49Å; K379-W541 HydrophobicContact CB-CB 4.3Å; A380-W541 HydrophobicContact CB-CE3 4.08Å; A380-W541 HydrophobicContact CB-CH2 3.53Å; A380-W541 HydrophobicContact CB-CZ2 4.03Å; A380-W541 HydrophobicContact CB-CZ3 3.56Å; P381-W541 VanDerWaalsContact CD-CE2 3.43Å; P381-W541 HydrophobicContact CG-CG 4.43Å; E385-W541 HydrophobicContact CB-CZ2 4.06Å; E385-W541 PolarHBondContact OE2-NE1 3.26Å; E389-W541 HydrophobicContact CB-CH2 3.79Å; E389-W541 HydrophobicContact CB-CZ2 4.18Å; E389-W541 HydrophobicContact CG-CH2 4.01Å |
| 542 | I | 84.9 | Confident | 81 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 16% | 0.164 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -135.1 | 130.2 | 176.1 | -49.4 | 175.8 | 0 | 0 | 0 | 108.9 | K379 R540 A544 L552 | K379-I542 HydrophobicContact CD-CD1 3.84Å; K379-I542 HydrophobicContact CD-CG1 3.61Å; R540-I542 PolarHBondContact O-N 3.48Å; I542-A544 PolarHBondContact O-N 3.41Å; I542-A544 VanDerWaalsContact O-N 3.1Å; I542-L552 HydrophobicContact CB-CD2 4.21Å; I542-L552 HydrophobicContact CD1-CD1 3.7Å; I542-L552 HydrophobicContact CD1-CD2 3.8Å; I542-L552 HydrophobicContact CD1-CG 4.32Å; I542-L552 HydrophobicContact CG2-CD2 3.41Å; I542-L552 VanDerWaalsContact CG2-CD2 3.41Å |
| 543 | E | 80.8 | Confident | 78.7 | Confident | 203 Ų | 203 | 58 Ų | 58 | 95% | 0.949 | 29% | 0.287 | S | S | * | . | trans | -70.5 | 102.1 | 166.5 | -66.2 | -176.8 | 173 | 0 | 0 | 108.9 | ||||
| 544 | A | 78.4 | Confident | 76.3 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 21% | 0.207 | 31% | 0.311 | C | S | . | . | trans | -129.6 | 137.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | M538 P539 I542 L552 | M538-A544 HydrophobicContact CE-CB 4.08Å; M538-A544 WeakPolarHBondContact CE-O 3.5Å; P539-A544 HydrophobicContact CG-CB 4.14Å; I542-A544 PolarHBondContact O-N 3.41Å; I542-A544 VanDerWaalsContact O-N 3.1Å; A544-L552 HydrophobicContact CB-CD2 4.47Å | ||
| 545 | T | 73.2 | Confident | 73.9 | Confident | 117 Ų | 117 | 63.3 Ų | 63.3 | 72% | 0.718 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -98 | -17 | 171.7 | 51 | 0 | 0 | 0 | 0 | 112.3 | ||
| 546 | D | 76.5 | Confident | 71.3 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -124.5 | 140.3 | 173.8 | -174.2 | -88.2 | 0 | 0 | 0 | 108.9 | R340 S548 T551 | R340-D546 IonicContact CZ-OD1 3.14Å; R340-D546 IonicContact CZ-OD2 3.31Å; R340-D546 IonicContact NH1-OD1 2.68Å; R340-D546 PolarHBondContact NH1-OD1 3.02Å; R340-D546 IonicContact NH1-OD2 3.62Å; R340-D546 IonicContact NH2-OD1 3.49Å; R340-D546 PolarHBondContact NH2-OD1 3.13Å; R340-D546 IonicContact NH2-OD2 3.6Å; R340-D546 PolarHBondContact NH2-OD2 3.03Å; D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 2.66Å; D546-S548 WeakPolarHBondContact OD1-CA 3.34Å; D546-S548 WeakPolarHBondContact OD1-CB 3.47Å; D546-S548 PolarHBondContact OD1-N 2.87Å; D546-T551 HydrophobicContact CB-CG2 4.05Å |
| 547 | P | 72.3 | Confident | 68.4 | Low | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | trans | -75.6 | -7.9 | -178.3 | 29.4 | -35.5 | 0 | 0 | 0 | 114.9 | I336 T337 W537 M538 A549 | I336-P547 HydrophobicContact CB-CG 3.99Å; I336-P547 HydrophobicContact CD1-CG 4.49Å; I336-P547 HydrophobicContact CG2-CG 4.09Å; T337-P547 WeakPolarHBondContact OG1-CB 3.43Å; T337-P547 WeakPolarHBondContact OG1-CG 3.24Å; W537-P547 HydrophobicContact CE3-CB 3.66Å; W537-P547 HydrophobicContact CZ3-CB 4Å; W537-P547 VanDerWaalsContact O-CB 3.29Å; W537-P547 WeakPolarHBondContact O-CB 3.33Å; M538-P547 HydrophobicContact SD-CB 4.04Å; P547-A549 PolarHBondContact O-N 3.17Å | ||
| 548 | S | 66.6 | Low | 65.5 | Low | 9 Ų | 9 | 72.7 Ų | 72.7 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | trans | -65.2 | 131.1 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | D546 R550 T551 | D546-S548 VanDerWaalsContact C-N 3.25Å; D546-S548 PolarHBondContact O-N 2.66Å; D546-S548 WeakPolarHBondContact OD1-CA 3.34Å; D546-S548 WeakPolarHBondContact OD1-CB 3.47Å; D546-S548 PolarHBondContact OD1-N 2.87Å; S548-R550 PolarHBondContact O-N 3.35Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.5Å; S548-R550 WeakPolarHBondContact OG-CG 3.33Å; S548-R550 PolarHBondContact OG-N 3.07Å; S548-R550 VanDerWaalsContact OG-N 3.07Å; S548-T551 PolarHBondContact O-N 2.79Å; S548-T551 VanDerWaalsContact O-N 3.15Å; S548-T551 PolarHBondContact O-OG1 3.07Å | ||
| 549 | A | 59.5 | Low | 62.6 | Low | 20 Ų | 20 | 73.8 Ų | 73.8 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -60.2 | -20 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | P547 T551 L552 Y555 | P547-A549 PolarHBondContact O-N 3.17Å; A549-T551 PolarHBondContact O-N 3.13Å; A549-L552 HydrophobicContact CB-CD1 4.23Å; A549-L552 VanDerWaalsContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CB 3.37Å; A549-L552 WeakPolarHBondContact O-CG 3.34Å; A549-L552 PolarHBondContact O-N 3.43Å; A549-Y555 HydrophobicContact CB-CD2 3.65Å; A549-Y555 HydrophobicContact CB-CE2 3.35Å; A549-Y555 WeakPolarHBondContact O-CD2 3.41Å |
| 550 | R | 60.2 | Low | 59.4 | Low | 81 Ų | 81 | 81.3 Ų | 81.3 | 31% | 0.306 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -64.3 | -24.3 | 176.1 | -64.5 | -175.5 | 179.3 | -120.3 | -5.8 | 113.7 | D472 S480 S548 | D472-R550 PolarHBondContact O-NH2 3.1Å; D472-R550 WeakPolarHBondContact OD1-CD 3.48Å; D472-R550 IonicContact OD1-CZ 2.81Å; D472-R550 IonicContact OD1-NE 2.62Å; D472-R550 PolarHBondContact OD1-NE 3.48Å; D472-R550 IonicContact OD1-NH2 2.63Å; S480-R550 PolarHBondContact OG-NH1 2.82Å; S548-R550 PolarHBondContact O-N 3.35Å; S548-R550 VanDerWaalsContact O-N 3.12Å; S548-R550 WeakPolarHBondContact OG-CB 3.5Å; S548-R550 WeakPolarHBondContact OG-CG 3.33Å; S548-R550 PolarHBondContact OG-N 3.07Å; S548-R550 VanDerWaalsContact OG-N 3.07Å |
| 551 | T | 53.9 | Low | 56.4 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -79.5 | -11.3 | 176.1 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | D546 S548 A549 | D546-T551 HydrophobicContact CB-CG2 4.05Å; S548-T551 PolarHBondContact O-N 2.79Å; S548-T551 VanDerWaalsContact O-N 3.15Å; S548-T551 PolarHBondContact O-OG1 3.07Å; A549-T551 PolarHBondContact O-N 3.13Å |
| 552 | L | 57.2 | Low | 54.5 | Low | 15 Ų | 15 | 89.3 Ų | 89.3 | 8% | 0.079 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -83.6 | 130.4 | -177.9 | -52.1 | 179.1 | 0 | 0 | 0 | 111.1 | I542 A544 A549 H554 Y555 | I542-L552 HydrophobicContact CB-CD2 4.21Å; I542-L552 HydrophobicContact CD1-CD1 3.7Å; I542-L552 HydrophobicContact CD1-CD2 3.8Å; I542-L552 HydrophobicContact CD1-CG 4.32Å; I542-L552 HydrophobicContact CG2-CD2 3.41Å; I542-L552 VanDerWaalsContact CG2-CD2 3.41Å; A544-L552 HydrophobicContact CB-CD2 4.47Å; A549-L552 HydrophobicContact CB-CD1 4.23Å; A549-L552 VanDerWaalsContact O-CB 3.24Å; A549-L552 WeakPolarHBondContact O-CB 3.37Å; A549-L552 WeakPolarHBondContact O-CG 3.34Å; A549-L552 PolarHBondContact O-N 3.43Å; L552-H554 PolarHBondContact O-N 2.73Å; L552-Y555 PolarHBondContact O-N 2.78Å |
| 553 | K | 48.2 | Very low | 53 | Low | 189 Ų | 189 | 92.3 Ų | 92.3 | 82% | 0.822 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -53.8 | -30.5 | -178.1 | -69.8 | -178.3 | -179.5 | 176.2 | 0 | 114.5 | Y555 K556 | K553-Y555 PolarHBondContact O-N 3.04Å; K553-K556 PolarHBondContact O-N 3.23Å |
| 554 | H | 47.3 | Very low | 51.4 | Low | 113 Ų | 113 | 86.1 Ų | 86.1 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -72.3 | -20.6 | 179.7 | -80.2 | -56.1 | 0 | 0 | 0 | 114.8 | K379 L552 K556 S557 | K379-H554 VanDerWaalsContact CE-CD2 3.49Å; K379-H554 WeakPolarHBondContact CE-CD2 3.25Å; L552-H554 PolarHBondContact O-N 2.73Å; H554-K556 PolarHBondContact O-N 3.39Å; H554-S557 PolarHBondContact O-N 3.02Å; H554-S557 PolarHBondContact O-OG 3.13Å |
| 555 | Y | 47 | Very low | 49.8 | Very low | 61 Ų | 61 | 89.7 Ų | 89.7 | 24% | 0.239 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -68.8 | -24.8 | 173.7 | -118.1 | -86.6 | 0 | 0 | 0 | 111.8 | I375 K467 A549 L552 K553 | I375-Y555 HydrophobicContact CG1-CE2 4.06Å; K467-Y555 PolarHBondContact O-OH 3.5Å; A549-Y555 HydrophobicContact CB-CD2 3.65Å; A549-Y555 HydrophobicContact CB-CE2 3.35Å; A549-Y555 WeakPolarHBondContact O-CD2 3.41Å; L552-Y555 PolarHBondContact O-N 2.78Å; K553-Y555 PolarHBondContact O-N 3.04Å |
| 556 | K | 39.6 | Very low | 48.4 | Very low | 158 Ų | 158 | 88 Ų | 88 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27.4 | 179 | -70.5 | -172.8 | 176.5 | -177.2 | 0 | 113.5 | K553 H554 | K553-K556 PolarHBondContact O-N 3.23Å; H554-K556 PolarHBondContact O-N 3.39Å |
| 557 | S | 32.8 | Very low | 46.5 | Very low | 71 Ų | 71 | 93.1 Ų | 93.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -26.7 | -177.7 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | H554 | H554-S557 PolarHBondContact O-N 3.02Å; H554-S557 PolarHBondContact O-OG 3.13Å |
| 558 | A | 33.7 | Very low | 44.6 | Very low | 87 Ų | 87 | 99.1 Ų | 99.1 | 72% | 0.719 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 559 | A | 28.7 | Very low | 42.9 | Very low | 86 Ų | 86 | 106.1 Ų | 106.1 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 5.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 560 | Q | 24.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 113.3 Ų | 113.3 | 80% | 0.804 | 59% | 0.585 | S | S | * | * | trans | -127.2 | 13 | -176.7 | -77.5 | -167.6 | -25.1 | 0 | 0 | 114.8 | ||||
| 561 | E | 26.2 | Very low | 39.9 | Very low | 253 Ų | 253 | 116.2 Ų | 116.2 | 100% | 1.182 | 61% | 0.61 | S | S | * | * | trans | -116.8 | 0 | 169.6 | -73.4 | -172.7 | 169.1 | 0 | 0 | 112.3 |
Retrieved 561 of 561 residues in 435.3 ms
(Link to these results)