| 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 | 87.6 | Confident | 95.2 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | 0 | 154.3 | 0 | -75.5 | -176.6 | -90.8 | 0 | 0 | 108.1 | R27 G28 R143 D406 T409 A410 L414 E415 L416 | M1-R27 CarbonylContact C-O 3.54Å; M1-R27 PolarHBondContact N-O 3.24Å; M1-R27 VanDerWaalsContact N-O 3.16Å; M1-R27 CarbonylContact O-C 3.5Å; M1-R27 WeakPolarHBondContact O-CA 3.38Å; M1-R27 WeakPolarHBondContact O-CB 3.27Å; M1-G28 PolarHBondContact O-N 3.41Å; M1-R143 PolarHBondContact SD-NH1 2.81Å; M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.94Å; M1-D406 WeakPolarHBondContact CE-O 3.25Å; M1-D406 WeakPolarHBondContact CE-OD1 3.41Å; M1-T409 WeakPolarHBondContact CE-OG1 3.3Å; M1-A410 HydrophobicContact CB-CB 4.35Å; M1-A410 HydrophobicContact CE-CB 3.76Å; M1-L414 WeakPolarHBondContact CG-O 3.41Å; M1-L414 PolarHBondContact N-O 3.14Å; M1-E415 HydrophobicContact CG-CB 4.12Å; M1-E415 HydrophobicContact CG-CG 4.08Å; M1-L416 HydrophobicContact CE-CB 3.94Å; M1-L416 HydrophobicContact SD-CB 4.28Å | |||
| 2 | C | 98 | Very high | 93.9 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 11% | 0.108 | 9% | 0.091 | C | C | . | . | trans | -70.5 | 159.1 | -179.9 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | R27 F47 H48 L50 N75 | C2-R27 PolarHBondContact O-NE 2.96Å; C2-R27 VanDerWaalsContact O-NE 3.13Å; C2-F47 HydrophobicContact CB-CE2 3.59Å; C2-F47 HydrophobicContact CB-CZ 3.54Å; C2-F47 VanDerWaalsContact SG-CZ 3.56Å; C2-H48 CarbonylContact C-O 3.59Å; C2-H48 WeakPolarHBondContact CA-O 3.43Å; C2-H48 WeakPolarHBondContact CB-O 3.48Å; C2-L50 PolarHBondContact SG-N 2.7Å; C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3.46Å; C2-N75 PolarHBondContact O-ND2 3.14Å; C2-N75 PolarHBondContact O-OD1 3.17Å | ||
| 3 | G | 98.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F47 H48 | G3-F47 WeakPolarHBondContact O-CA 3.3Å; G3-H48 PolarHBondContact N-O 2.92Å; G3-H48 PolarHBondContact O-N 3.25Å |
| 4 | I | 98.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.6 | 174.4 | 72.3 | -177.4 | 0 | 0 | 0 | 110.1 | F47 C73 N75 A122 I124 L145 C158 S159 | I4-F47 HydrophobicContact CG2-CD2 3.85Å; I4-F47 HydrophobicContact CG2-CE2 3.83Å; I4-C73 HydrophobicContact CB-CB 4.38Å; I4-C73 HydrophobicContact CG2-CB 4.21Å; I4-N75 HydrophobicContact CG2-CB 4.04Å; I4-A122 HydrophobicContact CD1-CB 4.26Å; I4-I124 HydrophobicContact CB-CD1 4.42Å; I4-I124 HydrophobicContact CD1-CD1 3.95Å; I4-I124 HydrophobicContact CD1-CG1 3.95Å; I4-I124 HydrophobicContact CG1-CD1 4.09Å; I4-L145 HydrophobicContact CD1-CD1 3.78Å; I4-L145 HydrophobicContact CG1-CD1 4.17Å; I4-C158 CarbonylContact O-C 3.57Å; I4-C158 VanDerWaalsContact O-CA 3.27Å; I4-C158 WeakPolarHBondContact O-CA 3.39Å; I4-S159 WeakPolarHBondContact CG1-OG 2.98Å; I4-S159 PolarHBondContact N-OG 3.25Å; I4-S159 PolarHBondContact O-N 2.94Å |
| 5 | W | 98.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139 | 174.9 | -178.8 | 97.4 | 0 | 0 | 0 | 109 | L7 Q17 C20 A21 I24 F34 C44 F45 G46 V157 G163 | W5-L7 HydrophobicContact CH2-CD1 3.25Å; W5-L7 HydrophobicContact CH2-CD2 4.02Å; W5-L7 HydrophobicContact CH2-CG 3.29Å; W5-L7 HydrophobicContact CZ2-CD1 3.58Å; W5-L7 HydrophobicContact CZ2-CD2 3.67Å; W5-L7 HydrophobicContact CZ2-CG 3.51Å; W5-L7 HydrophobicContact CZ3-CD1 4.14Å; W5-L7 HydrophobicContact CZ3-CG 3.82Å; W5-Q17 HydrophobicContact CH2-CB 4.22Å; W5-Q17 HydrophobicContact CZ2-CB 4.32Å; W5-Q17 WeakPolarHBondContact CZ2-O 3.09Å; W5-C20 HydrophobicContact CZ2-CB 4.29Å; W5-A21 HydrophobicContact CB-CB 4.18Å; W5-A21 HydrophobicContact CD2-CB 3.74Å; W5-A21 HydrophobicContact CE3-CB 3.91Å; W5-A21 HydrophobicContact CG-CB 3.89Å; W5-A21 HydrophobicContact CZ3-CB 4.45Å; W5-I24 HydrophobicContact CB-CD1 4.16Å; W5-F34 HydrophobicContact CH2-CE2 4.37Å; W5-F34 AromaticContact CZ3-CE2 3.78Å; W5-F34 HydrophobicContact CZ3-CE2 3.78Å; W5-C44 VanDerWaalsContact CZ3-SG 3.55Å; W5-F45 WeakPolarHBondContact O-CA 3.25Å; W5-G46 PolarHBondContact N-O 3.42Å; W5-G46 PolarHBondContact O-N 2.96Å; W5-G46 VanDerWaalsContact O-O 3.05Å; W5-V157 CarbonylContact C-O 3.6Å; W5-V157 VanDerWaalsContact CA-O 3.26Å; W5-V157 WeakPolarHBondContact CA-O 3.18Å; W5-G163 PolarHBondContact NE1-O 3.46Å; W5-G163 VanDerWaalsContact NE1-O 3.08Å |
| 6 | A | 98.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 152 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F8 C44 F45 I124 A156 V157 | A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.31Å; A6-C44 CarbonylContact C-O 3.56Å; A6-C44 WeakPolarHBondContact CA-O 3.44Å; A6-C44 WeakPolarHBondContact CB-O 3.34Å; A6-F45 HydrophobicContact CB-CD1 3.69Å; A6-F45 HydrophobicContact CB-CE1 3.96Å; A6-F45 HydrophobicContact CB-CG 4.29Å; A6-I124 HydrophobicContact CB-CD1 3.72Å; A6-I124 HydrophobicContact CB-CG2 4.3Å; A6-A156 WeakPolarHBondContact O-CA 3.37Å; A6-V157 PolarHBondContact N-O 2.82Å; A6-V157 PolarHBondContact O-N 3.31Å |
| 7 | L | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.4 | 172.6 | -57.4 | -176.8 | 0 | 0 | 0 | 110.8 | W5 L14 Q17 C43 C44 F154 L155 A156 I167 | W5-L7 HydrophobicContact CH2-CD1 3.25Å; W5-L7 HydrophobicContact CH2-CD2 4.02Å; W5-L7 HydrophobicContact CH2-CG 3.29Å; W5-L7 HydrophobicContact CZ2-CD1 3.58Å; W5-L7 HydrophobicContact CZ2-CD2 3.67Å; W5-L7 HydrophobicContact CZ2-CG 3.51Å; W5-L7 HydrophobicContact CZ3-CD1 4.14Å; W5-L7 HydrophobicContact CZ3-CG 3.82Å; L7-L14 HydrophobicContact CD1-CD2 4.41Å; L7-Q17 HydrophobicContact CD1-CB 3.85Å; L7-Q17 HydrophobicContact CD1-CG 4.27Å; L7-C43 CarbonylContact O-C 3.53Å; L7-C43 WeakPolarHBondContact O-CA 3.44Å; L7-C44 PolarHBondContact N-O 3.45Å; L7-C44 PolarHBondContact O-N 3.34Å; L7-F154 HydrophobicContact CB-CE2 4.24Å; L7-F154 HydrophobicContact CD1-CE2 4.4Å; L7-F154 HydrophobicContact CD1-CZ 4.49Å; L7-F154 HydrophobicContact CD2-CE2 4.09Å; L7-F154 HydrophobicContact CD2-CZ 3.89Å; L7-F154 HydrophobicContact CG-CE2 4.49Å; L7-L155 CarbonylContact C-O 3.3Å; L7-L155 WeakPolarHBondContact CA-O 3.49Å; L7-A156 HydrophobicContact CD2-CB 3.3Å; L7-I167 HydrophobicContact CD2-CD1 3.88Å |
| 8 | F | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120 | 171.8 | -56.6 | -91.4 | 0 | 0 | 0 | 109.8 | A6 C43 F45 I124 L126 V133 F154 L155 G194 V196 | A6-F8 HydrophobicContact CB-CE2 3.92Å; A6-F8 HydrophobicContact CB-CZ 4.31Å; F8-C43 HydrophobicContact CD1-CB 4.04Å; F8-F45 HydrophobicContact CE1-CZ 4.22Å; F8-F45 HydrophobicContact CZ-CE1 4.25Å; F8-F45 AromaticContact CZ-CZ 3.85Å; F8-F45 HydrophobicContact CZ-CZ 3.85Å; F8-I124 HydrophobicContact CE2-CG2 4Å; F8-I124 HydrophobicContact CZ-CG2 3.85Å; F8-L126 HydrophobicContact CE1-CB 4.32Å; F8-L126 HydrophobicContact CE1-CD1 4.29Å; F8-L126 HydrophobicContact CE1-CD2 4.32Å; F8-V133 HydrophobicContact CD1-CG2 3.62Å; F8-V133 HydrophobicContact CD2-CG1 4.31Å; F8-V133 HydrophobicContact CE1-CB 4.43Å; F8-V133 HydrophobicContact CE1-CG1 4Å; F8-V133 HydrophobicContact CE1-CG2 3.5Å; F8-V133 HydrophobicContact CE2-CG1 3.77Å; F8-V133 HydrophobicContact CG-CG2 4.23Å; F8-V133 HydrophobicContact CZ-CB 4.49Å; F8-V133 HydrophobicContact CZ-CG1 3.59Å; F8-V133 HydrophobicContact CZ-CG2 4.02Å; F8-F154 WeakPolarHBondContact O-CD2 3.32Å; F8-L155 HydrophobicContact CB-CB 4.33Å; F8-L155 HydrophobicContact CD2-CB 4.37Å; F8-L155 HydrophobicContact CD2-CD2 3.85Å; F8-L155 HydrophobicContact CD2-CG 4.14Å; F8-L155 HydrophobicContact CE2-CD2 4.36Å; F8-L155 PolarHBondContact N-O 2.74Å; F8-L155 PolarHBondContact O-N 2.83Å; F8-G194 CarbonylContact C-O 3.6Å; F8-G194 VanDerWaalsContact C-O 3.3Å; F8-V196 HydrophobicContact CB-CG1 3.7Å; F8-V196 HydrophobicContact CG-CG1 4.22Å |
| 9 | G | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 78.3 | 39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N42 F154 G194 K195 | G9-N42 PolarHBondContact N-O 3.42Å; G9-F154 WeakPolarHBondContact O-CD2 3.37Å; G9-G194 VanDerWaalsContact CA-C 3.42Å; G9-G194 WeakPolarHBondContact CA-O 3.44Å; G9-G194 PolarHBondContact N-O 2.85Å; G9-K195 VanDerWaalsContact O-CD 3.3Å; G9-K195 WeakPolarHBondContact O-CD 3.13Å; G9-K195 WeakPolarHBondContact O-CE 3.31Å; G9-K195 PolarHBondContact O-NZ 2.84Å |
| 10 | S | 91.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | trans | -70.1 | 139.7 | 175.4 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | E12 Q17 N42 | S10-E12 PolarHBondContact OG-N 2.9Å; S10-Q17 PolarHBondContact OG-NE2 3.03Å; S10-Q17 PolarHBondContact OG-OE1 3.39Å; S10-N42 PolarHBondContact N-O 2.94Å; S10-N42 VanDerWaalsContact O-CB 3.25Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å | ||
| 11 | D | 84.2 | Confident | 89.8 | Confident | 98 Ų | 98 | 30.3 Ų | 30.3 | 52% | 0.524 | 18% | 0.175 | S | C | . | . | trans | -95.3 | -7.6 | 173 | -61.4 | -21.9 | 0 | 0 | 0 | 112 | H169 K195 | D11-H169 IonicContact OD2-CE1 2.81Å; D11-H169 PolarHBondContact OD2-CE1 3.11Å; D11-H169 IonicContact OD2-ND1 3.58Å; D11-K195 VanDerWaalsContact CG-NZ 3.28Å; D11-K195 WeakPolarHBondContact OD1-CE 3.41Å; D11-K195 IonicContact OD1-NZ 3.01Å; D11-K195 PolarHBondContact OD1-NZ 3.25Å; D11-K195 IonicContact OD2-NZ 3.23Å; D11-K195 PolarHBondContact OD2-NZ 2.69Å | ||
| 12 | E | 79.3 | Confident | 90.3 | Very high | 91 Ų | 91 | 33.8 Ų | 33.8 | 43% | 0.425 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -99 | 165.7 | -174.5 | -72.5 | -65.2 | 163 | 0 | 0 | 112.8 | S10 L14 Q17 | S10-E12 PolarHBondContact OG-N 2.9Å; E12-L14 PolarHBondContact O-N 3.11Å; E12-Q17 HydrophobicContact CB-CG 4.41Å |
| 13 | C | 76 | Confident | 90.2 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 51% | 0.514 | 20% | 0.202 | S | C | . | . | trans | -61.3 | 113.2 | 169.9 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | S15 V16 Q17 | C13-S15 PolarHBondContact O-N 3.27Å; C13-V16 HydrophobicContact CB-CG2 4.05Å; C13-V16 WeakPolarHBondContact O-CB 3.36Å; C13-V16 PolarHBondContact O-N 3.19Å; C13-Q17 PolarHBondContact O-N 3.19Å | ||
| 14 | L | 80.2 | Confident | 90.2 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.9 | -29.1 | 179.4 | -69.9 | -171.9 | 0 | 0 | 0 | 113.6 | L7 E12 V16 Q17 C18 F34 N36 T41 C44 | L7-L14 HydrophobicContact CD1-CD2 4.41Å; E12-L14 PolarHBondContact O-N 3.11Å; L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 PolarHBondContact O-N 3.26Å; L14-Q17 PolarHBondContact O-N 3.39Å; L14-C18 WeakPolarHBondContact O-CB 3.44Å; L14-C18 PolarHBondContact O-N 3.17Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; L14-N36 HydrophobicContact CD1-CB 3.89Å; L14-T41 WeakPolarHBondContact CD1-O 3.31Å; L14-C44 HydrophobicContact CD1-CB 3.9Å |
| 15 | S | 74.9 | Confident | 90.2 | Very high | 88 Ų | 88 | 38.4 Ų | 38.4 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.5 | -33.8 | 175.5 | -175 | 0 | 0 | 0 | 0 | 112.9 | C13 | C13-S15 PolarHBondContact O-N 3.27Å |
| 16 | V | 79.7 | Confident | 90.2 | Very high | 88 Ų | 88 | 40.3 Ų | 40.3 | 53% | 0.533 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.7 | -45 | 178 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | C13 L14 C18 M19 | C13-V16 HydrophobicContact CB-CG2 4.05Å; C13-V16 WeakPolarHBondContact O-CB 3.36Å; C13-V16 PolarHBondContact O-N 3.19Å; L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 PolarHBondContact O-N 3.26Å; V16-C18 VanDerWaalsContact C-N 3.28Å; V16-C18 PolarHBondContact O-N 2.91Å; V16-M19 WeakPolarHBondContact O-CB 3.45Å; V16-M19 PolarHBondContact O-N 3.46Å |
| 17 | Q | 83.9 | Confident | 90.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.1 | -21.9 | 179.9 | -68.5 | 173.5 | -28.8 | 0 | 0 | 113.2 | W5 L7 S10 E12 C13 L14 M19 C20 T168 | W5-Q17 HydrophobicContact CH2-CB 4.22Å; W5-Q17 HydrophobicContact CZ2-CB 4.32Å; W5-Q17 WeakPolarHBondContact CZ2-O 3.09Å; L7-Q17 HydrophobicContact CD1-CB 3.85Å; L7-Q17 HydrophobicContact CD1-CG 4.27Å; S10-Q17 PolarHBondContact OG-NE2 3.03Å; S10-Q17 PolarHBondContact OG-OE1 3.39Å; E12-Q17 HydrophobicContact CB-CG 4.41Å; C13-Q17 PolarHBondContact O-N 3.19Å; L14-Q17 PolarHBondContact O-N 3.39Å; Q17-M19 PolarHBondContact O-N 3.36Å; Q17-M19 VanDerWaalsContact O-N 3.15Å; Q17-C20 VanDerWaalsContact O-CB 3.25Å; Q17-C20 WeakPolarHBondContact O-CB 3.38Å; Q17-C20 PolarHBondContact O-N 2.97Å; Q17-T168 PolarHBondContact NE2-O 3Å; Q17-T168 VanDerWaalsContact NE2-O 3.17Å |
| 18 | C | 87.1 | Confident | 90.2 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -27.8 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | L14 V16 C20 A21 M22 F34 | L14-C18 WeakPolarHBondContact O-CB 3.44Å; L14-C18 PolarHBondContact O-N 3.17Å; V16-C18 VanDerWaalsContact C-N 3.28Å; V16-C18 PolarHBondContact O-N 2.91Å; C18-C20 PolarHBondContact O-N 2.94Å; C18-A21 VanDerWaalsContact O-CB 3.31Å; C18-A21 WeakPolarHBondContact O-CB 3.37Å; C18-A21 PolarHBondContact O-N 3.19Å; C18-M22 PolarHBondContact O-N 3.17Å; C18-F34 HydrophobicContact CB-CD2 4.22Å; C18-F34 HydrophobicContact CB-CE2 3.85Å; C18-F34 HydrophobicContact CB-CZ 4.06Å |
| 19 | M | 90.6 | Very high | 90.2 | Very high | 122 Ų | 122 | 42.8 Ų | 42.8 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.7 | -31.1 | 173.8 | -65.3 | -56.9 | -62.1 | 0 | 0 | 112.8 | V16 Q17 A21 M22 | V16-M19 WeakPolarHBondContact O-CB 3.45Å; V16-M19 PolarHBondContact O-N 3.46Å; Q17-M19 PolarHBondContact O-N 3.36Å; Q17-M19 VanDerWaalsContact O-N 3.15Å; M19-A21 VanDerWaalsContact C-N 3.33Å; M19-M22 WeakPolarHBondContact O-CB 3.38Å; M19-M22 PolarHBondContact O-N 3.44Å |
| 20 | C | 93.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -36.4 | 174.5 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | W5 Q17 C18 M22 K23 G163 I167 | W5-C20 HydrophobicContact CZ2-CB 4.29Å; Q17-C20 VanDerWaalsContact O-CB 3.25Å; Q17-C20 WeakPolarHBondContact O-CB 3.38Å; Q17-C20 PolarHBondContact O-N 2.97Å; C18-C20 PolarHBondContact O-N 2.94Å; C20-M22 PolarHBondContact O-N 3.18Å; C20-K23 WeakPolarHBondContact O-CB 3.41Å; C20-K23 PolarHBondContact O-N 3.04Å; C20-G163 WeakPolarHBondContact CB-O 3.26Å; C20-I167 HydrophobicContact CB-CG1 4.23Å |
| 21 | A | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -27.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W5 C18 M19 K23 I24 F32 H48 | W5-A21 HydrophobicContact CB-CB 4.18Å; W5-A21 HydrophobicContact CD2-CB 3.74Å; W5-A21 HydrophobicContact CE3-CB 3.91Å; W5-A21 HydrophobicContact CG-CB 3.89Å; W5-A21 HydrophobicContact CZ3-CB 4.45Å; C18-A21 VanDerWaalsContact O-CB 3.31Å; C18-A21 WeakPolarHBondContact O-CB 3.37Å; C18-A21 PolarHBondContact O-N 3.19Å; M19-A21 VanDerWaalsContact C-N 3.33Å; A21-K23 VanDerWaalsContact C-N 3.3Å; A21-K23 PolarHBondContact O-N 3.34Å; A21-I24 WeakPolarHBondContact O-CG1 3.4Å; A21-F32 HydrophobicContact CB-CE2 4.48Å; A21-H48 PolarHBondContact O-CD2 3.23Å; A21-H48 VanDerWaalsContact O-CD2 3.31Å; A21-H48 PolarHBondContact O-NE2 3.3Å |
| 22 | M | 96.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.4 | -20 | 178.5 | -59.4 | -59.5 | 167.4 | 0 | 0 | 113.7 | C18 M19 C20 I24 A25 F32 | C18-M22 PolarHBondContact O-N 3.17Å; M19-M22 WeakPolarHBondContact O-CB 3.38Å; M19-M22 PolarHBondContact O-N 3.44Å; C20-M22 PolarHBondContact O-N 3.18Å; M22-I24 PolarHBondContact O-N 3.23Å; M22-I24 VanDerWaalsContact O-N 3.1Å; M22-A25 VanDerWaalsContact O-CB 3.29Å; M22-A25 WeakPolarHBondContact O-CB 3.45Å; M22-A25 PolarHBondContact O-N 3.18Å; M22-A25 VanDerWaalsContact O-N 3.13Å; M22-F32 HydrophobicContact CE-CD1 3.71Å; M22-F32 HydrophobicContact CE-CE1 3.13Å; M22-F32 HydrophobicContact CE-CE2 4.14Å; M22-F32 HydrophobicContact CE-CG 4.41Å; M22-F32 HydrophobicContact CE-CZ 3.35Å; M22-F32 HydrophobicContact SD-CE1 4.3Å; M22-F32 HydrophobicContact SD-CZ 4.26Å |
| 23 | K | 96.8 | Very high | 92.2 | Very high | 77 Ų | 77 | 47 Ų | 47 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.4 | 179.2 | -60.7 | -72.6 | -175.8 | 153.5 | 0 | 113.6 | C20 A21 H26 K162 E166 | C20-K23 WeakPolarHBondContact O-CB 3.41Å; C20-K23 PolarHBondContact O-N 3.04Å; A21-K23 VanDerWaalsContact C-N 3.3Å; A21-K23 PolarHBondContact O-N 3.34Å; K23-H26 PolarHBondContact O-CE1 2.9Å; K23-H26 VanDerWaalsContact O-CE1 3.26Å; K23-H26 PolarHBondContact O-ND1 3.01Å; K23-K162 HydrophobicContact CB-CG 4.43Å; K23-K162 WeakPolarHBondContact O-CD 3.23Å; K23-E166 WeakPolarHBondContact CE-OE2 3.45Å; K23-E166 IonicContact NZ-OE1 2.77Å; K23-E166 PolarHBondContact NZ-OE1 2.79Å; K23-E166 IonicContact NZ-OE2 3.17Å; K23-E166 PolarHBondContact NZ-OE2 3.08Å |
| 24 | I | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 14.6 | 178.6 | 60.7 | 161.6 | 0 | 0 | 0 | 113.3 | W5 A21 M22 H26 R27 E160 K162 | W5-I24 HydrophobicContact CB-CD1 4.16Å; A21-I24 WeakPolarHBondContact O-CG1 3.4Å; M22-I24 PolarHBondContact O-N 3.23Å; M22-I24 VanDerWaalsContact O-N 3.1Å; I24-H26 PolarHBondContact O-N 3.03Å; I24-R27 WeakPolarHBondContact O-CB 2.99Å; I24-R27 WeakPolarHBondContact O-CG 3.26Å; I24-R27 PolarHBondContact O-N 3.26Å; I24-E160 HydrophobicContact CG2-CB 3.86Å; I24-E160 HydrophobicContact CG2-CG 4.3Å; I24-K162 HydrophobicContact CG2-CG 4.24Å |
| 25 | A | 98.5 | Very high | 94 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M22 R27 G28 | M22-A25 VanDerWaalsContact O-CB 3.29Å; M22-A25 WeakPolarHBondContact O-CB 3.45Å; M22-A25 PolarHBondContact O-N 3.18Å; M22-A25 VanDerWaalsContact O-N 3.13Å; A25-R27 PolarHBondContact O-N 3.44Å; A25-R27 VanDerWaalsContact O-N 3.12Å; A25-G28 CarbonylContact O-C 3.55Å; A25-G28 PolarHBondContact O-N 3.01Å; A25-G28 VanDerWaalsContact O-N 3.14Å |
| 26 | H | 98.6 | Very high | 95 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32 | 178.2 | 53.5 | -86.7 | 0 | 0 | 0 | 113.3 | K23 I24 E160 H330 A410 G413 | K23-H26 PolarHBondContact O-CE1 2.9Å; K23-H26 VanDerWaalsContact O-CE1 3.26Å; K23-H26 PolarHBondContact O-ND1 3.01Å; I24-H26 PolarHBondContact O-N 3.03Å; H26-E160 IonicContact CE1-OE2 3.72Å; H26-E160 PolarHBondContact CE1-OE2 2.92Å; H26-E160 IonicContact NE2-OE1 2.73Å; H26-E160 PolarHBondContact NE2-OE1 2.68Å; H26-E160 VanDerWaalsContact NE2-OE1 3.09Å; H26-E160 IonicContact NE2-OE2 3.6Å; H26-E160 PolarHBondContact NE2-OE2 2.97Å; H26-H330 AromaticContact CD2-CE1 3.87Å; H26-H330 AromaticContact CD2-ND1 3.92Å; H26-H330 AromaticContact CG-CE1 3.88Å; H26-H330 AromaticContact NE2-CE1 3.96Å; H26-H330 AromaticContact NE2-ND1 3.73Å; H26-A410 CarbonylContact C-O 3.35Å; H26-A410 PolarHBondContact CD2-O 2.87Å; H26-A410 VanDerWaalsContact O-O 3.06Å; H26-G413 VanDerWaalsContact O-CA 3.29Å; H26-G413 WeakPolarHBondContact O-CA 3.11Å; H26-G413 PolarHBondContact O-N 3.47Å |
| 27 | R | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -51 | 179.9 | -54.1 | -173 | 64.1 | 83.3 | 0.7 | 110.3 | M1 C2 I24 A25 P29 N75 E160 D406 A410 G413 | M1-R27 CarbonylContact C-O 3.54Å; M1-R27 PolarHBondContact N-O 3.24Å; M1-R27 VanDerWaalsContact N-O 3.16Å; M1-R27 CarbonylContact O-C 3.5Å; M1-R27 WeakPolarHBondContact O-CA 3.38Å; M1-R27 WeakPolarHBondContact O-CB 3.27Å; C2-R27 PolarHBondContact O-NE 2.96Å; C2-R27 VanDerWaalsContact O-NE 3.13Å; I24-R27 WeakPolarHBondContact O-CB 2.99Å; I24-R27 WeakPolarHBondContact O-CG 3.26Å; I24-R27 PolarHBondContact O-N 3.26Å; A25-R27 PolarHBondContact O-N 3.44Å; A25-R27 VanDerWaalsContact O-N 3.12Å; R27-P29 VanDerWaalsContact O-CD 3.25Å; R27-P29 WeakPolarHBondContact O-CD 3.39Å; R27-N75 PolarHBondContact NH2-ND2 3.07Å; R27-E160 VanDerWaalsContact CD-OE1 3.29Å; R27-E160 WeakPolarHBondContact CD-OE1 3.29Å; R27-E160 IonicContact CZ-OE1 2.69Å; R27-E160 IonicContact NE-OE1 2.85Å; R27-E160 IonicContact NH1-OE1 2.65Å; R27-E160 PolarHBondContact NH1-OE1 2.77Å; R27-D406 IonicContact CZ-OD1 3.96Å; R27-D406 IonicContact CZ-OD2 2.77Å; R27-D406 IonicContact NH1-OD1 3.18Å; R27-D406 IonicContact NH1-OD2 2.63Å; R27-D406 PolarHBondContact NH1-OD2 2.82Å; R27-D406 IonicContact NH2-OD1 2.63Å; R27-D406 PolarHBondContact NH2-OD1 3.3Å; R27-D406 IonicContact NH2-OD2 2.87Å; R27-D406 PolarHBondContact NH2-OD2 2.84Å; R27-D406 VanDerWaalsContact NH2-OD2 3.16Å; R27-A410 WeakPolarHBondContact CA-O 3.35Å; R27-A410 HydrophobicContact CB-CB 4.41Å; R27-A410 HydrophobicContact CG-CB 4.07Å; R27-A410 VanDerWaalsContact NH1-CB 3.28Å; R27-G413 WeakPolarHBondContact O-CA 3.18Å |
| 28 | G | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -119.8 | 77.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 A25 D30 R49 | M1-G28 PolarHBondContact O-N 3.41Å; A25-G28 CarbonylContact O-C 3.55Å; A25-G28 PolarHBondContact O-N 3.01Å; A25-G28 VanDerWaalsContact O-N 3.14Å; G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 3.37Å; G28-R49 CarbonylContact C-O 3.52Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.12Å; G28-R49 PolarHBondContact O-N 3.08Å | ||
| 29 | P | 97.8 | Very high | 96.5 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | -10.3 | -171.5 | 32.4 | -39.5 | 0 | 0 | 0 | 115.1 | R27 L50 | R27-P29 VanDerWaalsContact O-CD 3.25Å; R27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-L50 HydrophobicContact CG-CD1 4.13Å |
| 30 | D | 98.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -82.2 | -35.7 | -168.6 | -61.5 | -20.4 | 0 | 0 | 0 | 112.3 | G28 R49 A51 R251 | G28-D30 VanDerWaalsContact C-N 3.32Å; G28-D30 PolarHBondContact O-N 3.37Å; D30-R49 VanDerWaalsContact CB-O 3.3Å; D30-R49 WeakPolarHBondContact CB-O 3.17Å; D30-R49 PolarHBondContact N-O 2.85Å; D30-A51 PolarHBondContact OD2-N 2.98Å; D30-R251 IonicContact OD1-NH1 2.85Å; D30-R251 IonicContact OD2-NH1 3.49Å; D30-R251 PolarHBondContact OD2-NH1 3.1Å |
| 31 | A | 98.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 153.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | H48 R49 M59 | A31-H48 CarbonylContact O-C 2.8Å; A31-H48 WeakPolarHBondContact O-CA 3.34Å; A31-R49 HydrophobicContact CB-CB 4.33Å; A31-R49 PolarHBondContact N-O 2.8Å; A31-R49 PolarHBondContact O-N 3.22Å; A31-M59 HydrophobicContact CB-CE 3.8Å; A31-M59 HydrophobicContact CB-SD 3.83Å |
| 32 | F | 98.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 33% | 0.333 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.5 | 172 | 175.1 | -112 | 0 | 0 | 0 | 110.9 | A21 M22 F34 F47 H48 M59 | A21-F32 HydrophobicContact CB-CE2 4.48Å; M22-F32 HydrophobicContact CE-CD1 3.71Å; M22-F32 HydrophobicContact CE-CE1 3.13Å; M22-F32 HydrophobicContact CE-CE2 4.14Å; M22-F32 HydrophobicContact CE-CG 4.41Å; M22-F32 HydrophobicContact CE-CZ 3.35Å; M22-F32 HydrophobicContact SD-CE1 4.3Å; M22-F32 HydrophobicContact SD-CZ 4.26Å; F32-F34 HydrophobicContact CE1-CB 3.67Å; F32-F34 HydrophobicContact CZ-CB 3.62Å; F32-F34 HydrophobicContact CZ-CD2 4.34Å; F32-F34 HydrophobicContact CZ-CG 4.42Å; F32-F47 WeakPolarHBondContact CA-O 3.32Å; F32-F47 WeakPolarHBondContact CD2-O 3.48Å; F32-H48 AromaticContact CD2-CD2 3.84Å; F32-H48 AromaticContact CD2-CE1 3.17Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.37Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.42Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.17Å; F32-H48 AromaticContact CD2-NE2 3.44Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.24Å; F32-H48 AromaticContact CE2-CE1 3.68Å; F32-H48 AromaticContact CE2-NE2 3.52Å; F32-H48 AromaticContact CG-CE1 3.76Å; F32-H48 AromaticContact CG-ND1 3.96Å; F32-M59 VanDerWaalsContact C-CE 3.41Å |
| 33 | R | 98.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.6 | 167.9 | -177 | -178.2 | -66 | 167.8 | -0.1 | 109.5 | G46 F47 M59 Q60 P61 | R33-G46 WeakPolarHBondContact O-CA 3.27Å; R33-F47 PolarHBondContact N-O 2.94Å; R33-F47 PolarHBondContact O-N 2.91Å; R33-M59 HydrophobicContact CB-CE 3.47Å; R33-M59 VanDerWaalsContact CB-CE 3.47Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.14Å; R33-M59 VanDerWaalsContact NH2-CG 3.27Å; R33-Q60 WeakPolarHBondContact CB-O 3.44Å; R33-Q60 WeakPolarHBondContact CD-O 3.45Å; R33-P61 PolarHBondContact NH1-O 3.4Å |
| 34 | F | 97.5 | Very high | 97 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.6 | 169.4 | -177.7 | -95 | 0 | 0 | 0 | 108.7 | W5 L14 C18 F32 C44 F45 | W5-F34 HydrophobicContact CH2-CE2 4.37Å; W5-F34 AromaticContact CZ3-CE2 3.78Å; W5-F34 HydrophobicContact CZ3-CE2 3.78Å; L14-F34 HydrophobicContact CB-CZ 4.12Å; C18-F34 HydrophobicContact CB-CD2 4.22Å; C18-F34 HydrophobicContact CB-CE2 3.85Å; C18-F34 HydrophobicContact CB-CZ 4.06Å; F32-F34 HydrophobicContact CE1-CB 3.67Å; F32-F34 HydrophobicContact CZ-CB 3.62Å; F32-F34 HydrophobicContact CZ-CD2 4.34Å; F32-F34 HydrophobicContact CZ-CG 4.42Å; F34-C44 HydrophobicContact CE2-CB 4.29Å; F34-C44 HydrophobicContact CZ-CB 4.06Å; F34-F45 WeakPolarHBondContact CA-O 3.48Å |
| 35 | E | 95.8 | Very high | 97 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.6 | 174.3 | 57.5 | 179.6 | 156.5 | 0 | 0 | 111.1 | C44 F45 P61 R63 W71 | E35-C44 WeakPolarHBondContact O-CA 3.38Å; E35-C44 WeakPolarHBondContact O-CB 3.39Å; E35-F45 PolarHBondContact N-O 2.93Å; E35-F45 VanDerWaalsContact N-O 3.1Å; E35-F45 PolarHBondContact O-N 2.87Å; E35-P61 HydrophobicContact CG-CG 3.91Å; E35-P61 WeakPolarHBondContact OE1-CB 3.46Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 2.9Å; E35-P61 VanDerWaalsContact OE1-CG 3.32Å; E35-P61 WeakPolarHBondContact OE1-CG 3.35Å; E35-R63 IonicContact OE2-NH1 3.04Å; E35-R63 PolarHBondContact OE2-NH1 3.47Å; E35-W71 HydrophobicContact CG-CZ3 3.9Å |
| 36 | N | 95.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 166 | 171.4 | 69 | -15.9 | 0 | 0 | 0 | 111.1 | L14 T41 C43 C44 | L14-N36 HydrophobicContact CD1-CB 3.89Å; N36-T41 PolarHBondContact ND2-O 3.1Å; N36-C43 VanDerWaalsContact CA-O 3.28Å; N36-C43 WeakPolarHBondContact CA-O 3.27Å; N36-C43 WeakPolarHBondContact CB-O 3.32Å; N36-C44 HydrophobicContact CB-CB 4.16Å |
| 37 | V | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.1 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | G39 F40 T41 C43 F45 W71 L126 T128 | V37-G39 PolarHBondContact O-N 3.36Å; V37-F40 HydrophobicContact CB-CB 4.2Å; V37-F40 HydrophobicContact CG1-CB 4.23Å; V37-F40 HydrophobicContact CG1-CD2 4.32Å; V37-F40 CarbonylContact O-C 3.05Å; V37-F40 PolarHBondContact O-N 2.94Å; V37-F40 VanDerWaalsContact O-O 3.07Å; V37-T41 PolarHBondContact O-N 2.75Å; V37-C43 HydrophobicContact CB-CB 4.24Å; V37-C43 HydrophobicContact CG2-CB 3.97Å; V37-C43 PolarHBondContact N-O 2.9Å; V37-F45 HydrophobicContact CG2-CD2 4.21Å; V37-F45 HydrophobicContact CG2-CE2 3.88Å; V37-W71 HydrophobicContact CG1-CZ2 4.31Å; V37-L126 HydrophobicContact CB-CD2 4.28Å; V37-L126 HydrophobicContact CG1-CD2 3.77Å; V37-L126 HydrophobicContact CG2-CD2 3.54Å; V37-T128 HydrophobicContact CG1-CG2 3.8Å |
| 38 | N | 93.8 | Very high | 97 | Very high | 122 Ų | 122 | 41.1 Ų | 41.1 | 65% | 0.652 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.6 | 172.7 | -63.8 | 81.6 | 0 | 0 | 0 | 110.9 | F40 | N38-F40 PolarHBondContact O-N 3.17Š|
| 39 | G | 92.6 | Very high | 97 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 73% | 0.732 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -13.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V37 | V37-G39 PolarHBondContact O-N 3.36Š|
| 40 | F | 96.1 | Very high | 97 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 65.7 | 174.1 | -63.8 | -80.9 | 0 | 0 | 0 | 108.7 | V37 N38 N42 C43 T128 L190 K191 | V37-F40 HydrophobicContact CB-CB 4.2Å; V37-F40 HydrophobicContact CG1-CB 4.23Å; V37-F40 HydrophobicContact CG1-CD2 4.32Å; V37-F40 CarbonylContact O-C 3.05Å; V37-F40 PolarHBondContact O-N 2.94Å; V37-F40 VanDerWaalsContact O-O 3.07Å; N38-F40 PolarHBondContact O-N 3.17Å; F40-N42 PolarHBondContact O-N 3.37Å; F40-C43 HydrophobicContact CB-CB 4.08Å; F40-C43 WeakPolarHBondContact O-CB 3.38Å; F40-C43 PolarHBondContact O-N 2.7Å; F40-T128 HydrophobicContact CD2-CG2 4.25Å; F40-T128 HydrophobicContact CE2-CG2 4.35Å; F40-L190 HydrophobicContact CD1-CD1 4.48Å; F40-L190 HydrophobicContact CD1-CD2 4.06Å; F40-L190 HydrophobicContact CD1-CG 4.28Å; F40-L190 HydrophobicContact CD2-CD2 3.91Å; F40-L190 HydrophobicContact CE1-CD2 3.86Å; F40-L190 HydrophobicContact CE1-CG 3.95Å; F40-L190 HydrophobicContact CE2-CD2 3.7Å; F40-L190 HydrophobicContact CG-CD2 4.08Å; F40-L190 HydrophobicContact CZ-CD2 3.67Å; F40-L190 HydrophobicContact CZ-CG 4.13Å; F40-K191 WeakPolarHBondContact CE1-O 3.27Å |
| 41 | T | 94.1 | Very high | 97 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -10.7 | -169.1 | 52 | 0 | 0 | 0 | 0 | 114.1 | L14 N36 V37 | L14-T41 WeakPolarHBondContact CD1-O 3.31Å; N36-T41 PolarHBondContact ND2-O 3.1Å; V37-T41 PolarHBondContact O-N 2.75Å |
| 42 | N | 95 | Very high | 97 | Very high | 38 Ų | 38 | 34.8 Ų | 34.8 | 20% | 0.203 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 7.7 | 172.3 | 65.2 | -21.3 | 0 | 0 | 0 | 113.9 | G9 S10 F40 N193 | G9-N42 PolarHBondContact N-O 3.42Å; S10-N42 PolarHBondContact N-O 2.94Å; S10-N42 VanDerWaalsContact O-CB 3.25Å; S10-N42 WeakPolarHBondContact O-CB 3.43Å; F40-N42 PolarHBondContact O-N 3.37Å; N42-N193 PolarHBondContact ND2-O 3.4Å |
| 43 | C | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.5 | 165.3 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | L7 F8 N36 V37 F40 G194 | L7-C43 CarbonylContact O-C 3.53Å; L7-C43 WeakPolarHBondContact O-CA 3.44Å; F8-C43 HydrophobicContact CD1-CB 4.04Å; N36-C43 VanDerWaalsContact CA-O 3.28Å; N36-C43 WeakPolarHBondContact CA-O 3.27Å; N36-C43 WeakPolarHBondContact CB-O 3.32Å; V37-C43 HydrophobicContact CB-CB 4.24Å; V37-C43 HydrophobicContact CG2-CB 3.97Å; V37-C43 PolarHBondContact N-O 2.9Å; F40-C43 HydrophobicContact CB-CB 4.08Å; F40-C43 WeakPolarHBondContact O-CB 3.38Å; F40-C43 PolarHBondContact O-N 2.7Å; C43-G194 PolarHBondContact SG-O 3.49Å |
| 44 | C | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 163.1 | -179.7 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | W5 A6 L7 L14 F34 E35 N36 | W5-C44 VanDerWaalsContact CZ3-SG 3.55Å; A6-C44 CarbonylContact C-O 3.56Å; A6-C44 WeakPolarHBondContact CA-O 3.44Å; A6-C44 WeakPolarHBondContact CB-O 3.34Å; L7-C44 PolarHBondContact N-O 3.45Å; L7-C44 PolarHBondContact O-N 3.34Å; L14-C44 HydrophobicContact CD1-CB 3.9Å; F34-C44 HydrophobicContact CE2-CB 4.29Å; F34-C44 HydrophobicContact CZ-CB 4.06Å; E35-C44 WeakPolarHBondContact O-CA 3.38Å; E35-C44 WeakPolarHBondContact O-CB 3.39Å; N36-C44 HydrophobicContact CB-CB 4.16Å |
| 45 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.3 | 175.9 | -66.4 | -95.7 | 0 | 0 | 0 | 109.8 | W5 A6 F8 F34 E35 V37 P61 W71 C73 I124 L126 | W5-F45 WeakPolarHBondContact O-CA 3.25Å; A6-F45 HydrophobicContact CB-CD1 3.69Å; A6-F45 HydrophobicContact CB-CE1 3.96Å; A6-F45 HydrophobicContact CB-CG 4.29Å; F8-F45 HydrophobicContact CE1-CZ 4.22Å; F8-F45 HydrophobicContact CZ-CE1 4.25Å; F8-F45 AromaticContact CZ-CZ 3.85Å; F8-F45 HydrophobicContact CZ-CZ 3.85Å; F34-F45 WeakPolarHBondContact CA-O 3.48Å; E35-F45 PolarHBondContact N-O 2.93Å; E35-F45 VanDerWaalsContact N-O 3.1Å; E35-F45 PolarHBondContact O-N 2.87Å; V37-F45 HydrophobicContact CG2-CD2 4.21Å; V37-F45 HydrophobicContact CG2-CE2 3.88Å; F45-P61 HydrophobicContact CB-CG 3.37Å; F45-P61 HydrophobicContact CD1-CG 4.49Å; F45-P61 HydrophobicContact CD2-CG 4.26Å; F45-P61 HydrophobicContact CG-CG 3.83Å; F45-W71 HydrophobicContact CD2-CE3 4.34Å; F45-W71 HydrophobicContact CE2-CB 4.13Å; F45-W71 HydrophobicContact CE2-CE3 4.43Å; F45-W71 HydrophobicContact CZ-CB 4.25Å; F45-C73 HydrophobicContact CD1-CB 3.98Å; F45-C73 HydrophobicContact CE1-CB 4.39Å; F45-I124 HydrophobicContact CE1-CB 4.17Å; F45-I124 HydrophobicContact CE1-CG2 3.68Å; F45-I124 HydrophobicContact CZ-CG2 4.35Å; F45-L126 HydrophobicContact CE2-CB 4.37Å; F45-L126 HydrophobicContact CE2-CD2 3.92Å; F45-L126 HydrophobicContact CZ-CB 3.86Å; F45-L126 HydrophobicContact CZ-CD2 4.23Å |
| 46 | G | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | W5 R33 | W5-G46 PolarHBondContact N-O 3.42Å; W5-G46 PolarHBondContact O-N 2.96Å; W5-G46 VanDerWaalsContact O-O 3.05Å; R33-G46 WeakPolarHBondContact O-CA 3.27Å |
| 47 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120.4 | -177.7 | -174.7 | -107.1 | 0 | 0 | 0 | 111.6 | C2 G3 I4 F32 R33 R49 M59 Q60 | C2-F47 HydrophobicContact CB-CE2 3.59Å; C2-F47 HydrophobicContact CB-CZ 3.54Å; C2-F47 VanDerWaalsContact SG-CZ 3.56Å; G3-F47 WeakPolarHBondContact O-CA 3.3Å; I4-F47 HydrophobicContact CG2-CD2 3.85Å; I4-F47 HydrophobicContact CG2-CE2 3.83Å; F32-F47 WeakPolarHBondContact CA-O 3.32Å; F32-F47 WeakPolarHBondContact CD2-O 3.48Å; R33-F47 PolarHBondContact N-O 2.94Å; R33-F47 PolarHBondContact O-N 2.91Å; F47-R49 HydrophobicContact CD1-CB 4.05Å; F47-R49 HydrophobicContact CE1-CB 3.54Å; F47-R49 HydrophobicContact CE1-CG 3.69Å; F47-R49 HydrophobicContact CZ-CB 4.41Å; F47-R49 HydrophobicContact CZ-CG 4.36Å; F47-M59 HydrophobicContact CD1-CE 4.07Å; F47-M59 HydrophobicContact CD1-SD 4.24Å; F47-M59 HydrophobicContact CE1-SD 4.49Å; F47-Q60 HydrophobicContact CB-CB 4.42Å; F47-Q60 HydrophobicContact CD1-CB 3.55Å; F47-Q60 HydrophobicContact CD1-CG 4.09Å; F47-Q60 HydrophobicContact CD2-CB 4.01Å; F47-Q60 HydrophobicContact CE1-CB 3.63Å; F47-Q60 HydrophobicContact CE1-CG 3.6Å; F47-Q60 HydrophobicContact CE2-CB 4.11Å; F47-Q60 HydrophobicContact CE2-CG 4.16Å; F47-Q60 HydrophobicContact CG-CB 3.73Å; F47-Q60 HydrophobicContact CZ-CB 3.93Å; F47-Q60 HydrophobicContact CZ-CG 3.65Å; F47-Q60 VanDerWaalsContact CZ-NE2 3.27Å |
| 48 | H | 98.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.3 | 170.5 | -68.1 | -81.8 | 0 | 0 | 0 | 109 | C2 G3 A21 A31 F32 | C2-H48 CarbonylContact C-O 3.59Å; C2-H48 WeakPolarHBondContact CA-O 3.43Å; C2-H48 WeakPolarHBondContact CB-O 3.48Å; G3-H48 PolarHBondContact N-O 2.92Å; G3-H48 PolarHBondContact O-N 3.25Å; A21-H48 PolarHBondContact O-CD2 3.23Å; A21-H48 VanDerWaalsContact O-CD2 3.31Å; A21-H48 PolarHBondContact O-NE2 3.3Å; A31-H48 CarbonylContact O-C 2.8Å; A31-H48 WeakPolarHBondContact O-CA 3.34Å; F32-H48 AromaticContact CD2-CD2 3.84Å; F32-H48 AromaticContact CD2-CE1 3.17Å; F32-H48 WeakPolarHBondContact CD2-CE1 3.37Å; F32-H48 AromaticContact CD2-CG 3.82Å; F32-H48 AromaticContact CD2-ND1 3.42Å; F32-H48 WeakPolarHBondContact CD2-ND1 3.17Å; F32-H48 AromaticContact CD2-NE2 3.44Å; F32-H48 WeakPolarHBondContact CD2-NE2 3.24Å; F32-H48 AromaticContact CE2-CE1 3.68Å; F32-H48 AromaticContact CE2-NE2 3.52Å; F32-H48 AromaticContact CG-CE1 3.76Å; F32-H48 AromaticContact CG-ND1 3.96Å |
| 49 | R | 98.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 33 Ų | 33 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.1 | -171.8 | -166.5 | 170 | -170.2 | -135.4 | -4.6 | 111.5 | G28 D30 A31 F47 A51 V53 D54 Q55 G58 M59 | G28-R49 CarbonylContact C-O 3.52Å; G28-R49 VanDerWaalsContact CA-O 3.3Å; G28-R49 WeakPolarHBondContact CA-O 3.12Å; G28-R49 PolarHBondContact O-N 3.08Å; D30-R49 VanDerWaalsContact CB-O 3.3Å; D30-R49 WeakPolarHBondContact CB-O 3.17Å; D30-R49 PolarHBondContact N-O 2.85Å; A31-R49 HydrophobicContact CB-CB 4.33Å; A31-R49 PolarHBondContact N-O 2.8Å; A31-R49 PolarHBondContact O-N 3.22Å; F47-R49 HydrophobicContact CD1-CB 4.05Å; F47-R49 HydrophobicContact CE1-CB 3.54Å; F47-R49 HydrophobicContact CE1-CG 3.69Å; F47-R49 HydrophobicContact CZ-CB 4.41Å; F47-R49 HydrophobicContact CZ-CG 4.36Å; R49-A51 HydrophobicContact CG-CB 4.38Å; R49-V53 PolarHBondContact NH2-O 2.7Å; R49-D54 PolarHBondContact NH1-O 2.94Å; R49-D54 PolarHBondContact NH2-O 3.13Å; R49-Q55 PolarHBondContact NH1-O 3.21Å; R49-Q55 VanDerWaalsContact NH1-O 3.11Å; R49-G58 PolarHBondContact NE-O 3Å; R49-G58 VanDerWaalsContact NH2-C 3.31Å; R49-G58 VanDerWaalsContact NH2-CA 3.26Å; R49-G58 PolarHBondContact NH2-O 3.21Å; R49-M59 HydrophobicContact CB-CE 4.36Å; R49-M59 HydrophobicContact CB-SD 3.82Å; R49-M59 WeakPolarHBondContact CD-SD 3.48Å; R49-M59 HydrophobicContact CG-SD 4.27Å |
| 50 | L | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | trans | -103.7 | 110.9 | 152.7 | -179.4 | 67.9 | 0 | 0 | 0 | 106.8 | C2 P29 I52 V359 G413 E415 | C2-L50 PolarHBondContact SG-N 2.7Å; P29-L50 HydrophobicContact CG-CD1 4.13Å; L50-I52 HydrophobicContact CD2-CD1 3.79Å; L50-I52 HydrophobicContact CD2-CG1 4.36Å; L50-I52 HydrophobicContact CG-CD1 3.79Å; L50-I52 HydrophobicContact CG-CG1 4.29Å; L50-I52 PolarHBondContact O-N 3.15Å; L50-I52 VanDerWaalsContact O-N 3.13Å; L50-V359 HydrophobicContact CD1-CG1 3.82Å; L50-V359 HydrophobicContact CD2-CG1 3.8Å; L50-V359 HydrophobicContact CG-CG1 4.08Å; L50-G413 VanDerWaalsContact CD1-O 3.28Å; L50-G413 WeakPolarHBondContact CD1-O 3.4Å; L50-G413 VanDerWaalsContact CD2-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.42Å; L50-E415 HydrophobicContact CD2-CB 4.16Å | ||
| 51 | A | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | trans | -82.7 | 93.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D30 R49 Q55 R251 | D30-A51 PolarHBondContact OD2-N 2.98Å; R49-A51 HydrophobicContact CG-CB 4.38Å; A51-Q55 HydrophobicContact CB-CG 4.13Å; A51-R251 WeakPolarHBondContact O-CG 3.36Å; A51-R251 PolarHBondContact O-NH1 3.26Å | ||
| 52 | I | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -90.4 | -55.7 | 176.1 | -55.3 | -54.7 | 0 | 0 | 0 | 111.4 | L50 E77 A249 H250 R251 V359 V360 E415 | L50-I52 HydrophobicContact CD2-CD1 3.79Å; L50-I52 HydrophobicContact CD2-CG1 4.36Å; L50-I52 HydrophobicContact CG-CD1 3.79Å; L50-I52 HydrophobicContact CG-CG1 4.29Å; L50-I52 PolarHBondContact O-N 3.15Å; L50-I52 VanDerWaalsContact O-N 3.13Å; I52-E77 WeakPolarHBondContact CB-OE1 3.36Å; I52-A249 HydrophobicContact CG2-CB 3.83Å; I52-H250 WeakPolarHBondContact O-CB 3.25Å; I52-H250 PolarHBondContact O-N 2.55Å; I52-R251 HydrophobicContact CD1-CB 4.34Å; I52-R251 HydrophobicContact CD1-CG 4.13Å; I52-V359 HydrophobicContact CD1-CG1 3.53Å; I52-V360 HydrophobicContact CD1-CG2 3.81Å; I52-V360 HydrophobicContact CG1-CG2 4.41Å; I52-V360 HydrophobicContact CG2-CG2 3.68Å; I52-E415 HydrophobicContact CD1-CB 4.22Å; I52-E415 HydrophobicContact CG1-CB 4.33Å |
| 53 | V | 96.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -106.7 | 139.6 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | R49 K95 M248 | R49-V53 PolarHBondContact NH2-O 2.7Å; V53-K95 WeakPolarHBondContact CG1-O 3.35Å; V53-M248 HydrophobicContact CG2-CE 4.22Å; V53-M248 HydrophobicContact CG2-CG 4.13Å |
| 54 | D | 93.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | trans | 46.7 | 81.3 | -179.1 | -173.7 | 9.2 | 0 | 0 | 0 | 115.9 | R49 L56 Y57 G58 K95 V96 H250 | R49-D54 PolarHBondContact NH1-O 2.94Å; R49-D54 PolarHBondContact NH2-O 3.13Å; D54-L56 PolarHBondContact O-N 3.13Å; D54-L56 PolarHBondContact OD1-N 3.32Å; D54-Y57 WeakPolarHBondContact OD1-CD2 3.29Å; D54-Y57 PolarHBondContact OD1-N 3.35Å; D54-Y57 WeakPolarHBondContact OD2-CB 3.31Å; D54-G58 PolarHBondContact O-N 2.64Å; D54-G58 PolarHBondContact OD2-N 3.42Å; D54-K95 HydrophobicContact CB-CB 3.79Å; D54-K95 WeakPolarHBondContact OD2-CA 3.28Å; D54-K95 WeakPolarHBondContact OD2-CB 3.47Å; D54-K95 PolarHBondContact OD2-N 3.46Å; D54-V96 HydrophobicContact CB-CB 4.24Å; D54-V96 PolarHBondContact OD2-N 3.04Å; D54-H250 PolarHBondContact N-CE1 2.93Å; D54-H250 PolarHBondContact N-ND1 3.07Å | ||
| 55 | Q | 91.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 36.6 Ų | 36.6 | 49% | 0.491 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.3 | -178.1 | -66.3 | 177.9 | 3.1 | 0 | 0 | 113.5 | R49 A51 | R49-Q55 PolarHBondContact NH1-O 3.21Å; R49-Q55 VanDerWaalsContact NH1-O 3.11Å; A51-Q55 HydrophobicContact CB-CG 4.13Å |
| 56 | L | 94.4 | Very high | 97.3 | Very high | 140 Ų | 140 | 41.8 Ų | 41.8 | 73% | 0.733 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -42.1 | -171.3 | -64.1 | 177.5 | 0 | 0 | 0 | 113.4 | D54 | D54-L56 PolarHBondContact O-N 3.13Å; D54-L56 PolarHBondContact OD1-N 3.32Å |
| 57 | Y | 95.4 | Very high | 97.3 | Very high | 140 Ų | 140 | 42.4 Ų | 42.4 | 55% | 0.549 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -7.9 | -169.2 | -45.6 | -75.5 | 0 | 0 | 0 | 114.8 | D54 M59 | D54-Y57 WeakPolarHBondContact OD1-CD2 3.29Å; D54-Y57 PolarHBondContact OD1-N 3.35Å; D54-Y57 WeakPolarHBondContact OD2-CB 3.31Å; Y57-M59 PolarHBondContact O-N 3.35Å |
| 58 | G | 96.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -87.3 | 19.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | R49 D54 | R49-G58 PolarHBondContact NE-O 3Å; R49-G58 VanDerWaalsContact NH2-C 3.31Å; R49-G58 VanDerWaalsContact NH2-CA 3.26Å; R49-G58 PolarHBondContact NH2-O 3.21Å; D54-G58 PolarHBondContact O-N 2.64Å; D54-G58 PolarHBondContact OD2-N 3.42Å | ||
| 59 | M | 98.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | trans | -71.7 | 139.8 | 178.4 | -171.7 | 64.1 | -175.2 | 0 | 0 | 111.4 | A31 F32 R33 F47 R49 Y57 | A31-M59 HydrophobicContact CB-CE 3.8Å; A31-M59 HydrophobicContact CB-SD 3.83Å; F32-M59 VanDerWaalsContact C-CE 3.41Å; R33-M59 HydrophobicContact CB-CE 3.47Å; R33-M59 VanDerWaalsContact CB-CE 3.47Å; R33-M59 VanDerWaalsContact N-CE 3.33Å; R33-M59 PolarHBondContact NH1-O 3.14Å; R33-M59 VanDerWaalsContact NH2-CG 3.27Å; F47-M59 HydrophobicContact CD1-CE 4.07Å; F47-M59 HydrophobicContact CD1-SD 4.24Å; F47-M59 HydrophobicContact CE1-SD 4.49Å; R49-M59 HydrophobicContact CB-CE 4.36Å; R49-M59 HydrophobicContact CB-SD 3.82Å; R49-M59 WeakPolarHBondContact CD-SD 3.48Å; R49-M59 HydrophobicContact CG-SD 4.27Å; Y57-M59 PolarHBondContact O-N 3.35Å | ||
| 60 | Q | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -114.5 | 158.8 | -174.3 | -43.9 | -179.4 | 25.9 | 0 | 0 | 112.4 | R33 F47 L62 C73 Y74 | R33-Q60 WeakPolarHBondContact CB-O 3.44Å; R33-Q60 WeakPolarHBondContact CD-O 3.45Å; F47-Q60 HydrophobicContact CB-CB 4.42Å; F47-Q60 HydrophobicContact CD1-CB 3.55Å; F47-Q60 HydrophobicContact CD1-CG 4.09Å; F47-Q60 HydrophobicContact CD2-CB 4.01Å; F47-Q60 HydrophobicContact CE1-CB 3.63Å; F47-Q60 HydrophobicContact CE1-CG 3.6Å; F47-Q60 HydrophobicContact CE2-CB 4.11Å; F47-Q60 HydrophobicContact CE2-CG 4.16Å; F47-Q60 HydrophobicContact CG-CB 3.73Å; F47-Q60 HydrophobicContact CZ-CB 3.93Å; F47-Q60 HydrophobicContact CZ-CG 3.65Å; F47-Q60 VanDerWaalsContact CZ-NE2 3.27Å; Q60-L62 HydrophobicContact CG-CB 4.35Å; Q60-C73 VanDerWaalsContact OE1-CA 3.29Å; Q60-Y74 PolarHBondContact NE2-O 2.9Å; Q60-Y74 VanDerWaalsContact NE2-O 3.13Å; Q60-Y74 PolarHBondContact OE1-O 3.41Å |
| 61 | P | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | S | Bend | cis | -53.3 | 126.2 | 1.4 | -26.8 | 33.1 | 0 | 0 | 0 | 113.8 | R33 E35 F45 R63 W71 L72 | R33-P61 PolarHBondContact NH1-O 3.4Å; E35-P61 HydrophobicContact CG-CG 3.91Å; E35-P61 WeakPolarHBondContact OE1-CB 3.46Å; E35-P61 VanDerWaalsContact OE1-CD 3.25Å; E35-P61 WeakPolarHBondContact OE1-CD 2.9Å; E35-P61 VanDerWaalsContact OE1-CG 3.32Å; E35-P61 WeakPolarHBondContact OE1-CG 3.35Å; F45-P61 HydrophobicContact CB-CG 3.37Å; F45-P61 HydrophobicContact CD1-CG 4.49Å; F45-P61 HydrophobicContact CD2-CG 4.26Å; F45-P61 HydrophobicContact CG-CG 3.83Å; P61-R63 PolarHBondContact O-N 3.37Å; P61-W71 HydrophobicContact CB-CE3 4.13Å; P61-L72 CarbonylContact C-O 3.56Å; P61-L72 WeakPolarHBondContact CA-O 3.42Å |
| 62 | L | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 120.7 | 179.6 | -176.1 | 67.3 | 0 | 0 | 0 | 108.1 | Q60 L72 T94 V96 E99 L102 | Q60-L62 HydrophobicContact CG-CB 4.35Å; L62-L72 HydrophobicContact CB-CB 4.28Å; L62-L72 HydrophobicContact CD2-CD2 4.24Å; L62-L72 PolarHBondContact N-O 2.87Å; L62-L72 PolarHBondContact O-N 3.37Å; L62-L72 VanDerWaalsContact O-N 3.11Å; L62-T94 HydrophobicContact CD1-CG2 3.91Å; L62-V96 HydrophobicContact CD1-CG1 4.26Å; L62-V96 HydrophobicContact CD2-CG1 3.95Å; L62-E99 HydrophobicContact CD2-CB 3.98Å; L62-E99 HydrophobicContact CD2-CG 4.48Å; L62-L102 HydrophobicContact CD2-CD1 4.06Å; L62-L102 HydrophobicContact CG-CD1 4.13Å |
| 63 | R | 98.1 | Very high | 97.4 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | trans | -134 | 129.6 | 177.7 | -65.6 | 167.8 | 63.5 | -167.1 | -0.7 | 107.9 | E35 P61 W71 | E35-R63 IonicContact OE2-NH1 3.04Å; E35-R63 PolarHBondContact OE2-NH1 3.47Å; P61-R63 PolarHBondContact O-N 3.37Å; R63-W71 HydrophobicContact CG-CD2 4.13Å; R63-W71 HydrophobicContact CG-CE3 4.25Å; R63-W71 HydrophobicContact CG-CG 4.35Å; R63-W71 VanDerWaalsContact NH1-CH2 3.28Å | ||
| 64 | V | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | trans | -121.1 | 147.2 | 179.4 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | K66 F67 Q93 E99 L102 | V64-K66 HydrophobicContact CG2-CB 4.4Å; V64-K66 PolarHBondContact O-N 3.38Å; V64-F67 HydrophobicContact CG2-CB 4.19Å; V64-F67 HydrophobicContact CG2-CD2 3.41Å; V64-F67 VanDerWaalsContact CG2-CD2 3.41Å; V64-F67 HydrophobicContact CG2-CE2 4.18Å; V64-F67 HydrophobicContact CG2-CG 4.15Å; V64-F67 CarbonylContact O-C 3.49Å; V64-F67 PolarHBondContact O-N 3.08Å; V64-Q93 HydrophobicContact CB-CB 4.16Å; V64-Q93 HydrophobicContact CG1-CB 4.03Å; V64-E99 HydrophobicContact CG1-CG 4.23Å; V64-L102 HydrophobicContact CG1-CD1 4.1Å; V64-L102 HydrophobicContact CG2-CD1 3.86Å | ||
| 65 | K | 98.1 | Very high | 97.7 | Very high | 185 Ų | 185 | 51 Ų | 51 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.1 | -176.1 | -175.5 | 179.6 | 179.1 | -176.7 | 0 | 112.4 | F67 | K65-F67 PolarHBondContact O-N 3.13Š|
| 66 | K | 98.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.4 | 179.1 | -166.6 | 176.5 | 178.5 | 177 | 0 | 112.7 | V64 | V64-K66 HydrophobicContact CG2-CB 4.4Å; V64-K66 PolarHBondContact O-N 3.38Å |
| 67 | F | 98.3 | Very high | 98.3 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | trans | -128.7 | 71.9 | -174.9 | -46.8 | -57.1 | 0 | 0 | 0 | 110.6 | V64 K65 Y69 L70 L102 H103 D106 | V64-F67 HydrophobicContact CG2-CB 4.19Å; V64-F67 HydrophobicContact CG2-CD2 3.41Å; V64-F67 VanDerWaalsContact CG2-CD2 3.41Å; V64-F67 HydrophobicContact CG2-CE2 4.18Å; V64-F67 HydrophobicContact CG2-CG 4.15Å; V64-F67 CarbonylContact O-C 3.49Å; V64-F67 PolarHBondContact O-N 3.08Å; K65-F67 PolarHBondContact O-N 3.13Å; F67-Y69 PolarHBondContact O-N 3.22Å; F67-Y69 VanDerWaalsContact O-N 3.08Å; F67-L70 HydrophobicContact CB-CB 4.04Å; F67-L70 HydrophobicContact CB-CD1 3.69Å; F67-L70 HydrophobicContact CB-CG 3.81Å; F67-L70 HydrophobicContact CD2-CD1 4.42Å; F67-L70 HydrophobicContact CG-CD1 4.02Å; F67-L70 PolarHBondContact O-N 3.41Å; F67-L70 VanDerWaalsContact O-N 3.12Å; F67-L102 HydrophobicContact CD2-CB 3.85Å; F67-L102 HydrophobicContact CE2-CB 4.08Å; F67-H103 HydrophobicContact CE2-CB 4.47Å; F67-H103 AromaticContact CE2-CE1 3.66Å; F67-H103 AromaticContact CE2-CG 3.83Å; F67-H103 AromaticContact CE2-ND1 3.52Å; F67-H103 AromaticContact CZ-CE1 3.96Å; F67-H103 AromaticContact CZ-ND1 3.51Å; F67-D106 HydrophobicContact CD1-CB 4.09Å; F67-D106 HydrophobicContact CE1-CB 3.64Å; F67-D106 VanDerWaalsContact CE1-OD2 3.28Å; F67-D106 WeakPolarHBondContact CE1-OD2 3.29Å; F67-D106 HydrophobicContact CZ-CB 3.95Å | ||
| 68 | P | 97.8 | Very high | 98.4 | Very high | 76 Ų | 76 | 33.3 Ų | 33.3 | 49% | 0.494 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.3 | -169.6 | 26.9 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 69 | Y | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 34.1 Ų | 34.1 | 54% | 0.541 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5 | -179.2 | -54.8 | -65.6 | 0 | 0 | 0 | 113.7 | F67 T128 A129 | F67-Y69 PolarHBondContact O-N 3.22Å; F67-Y69 VanDerWaalsContact O-N 3.08Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.42Å; Y69-T128 PolarHBondContact O-N 3.46Å; Y69-T128 PolarHBondContact O-OG1 3.33Å; Y69-A129 HydrophobicContact CD2-CB 3.87Å; Y69-A129 HydrophobicContact CG-CB 3.82Å |
| 70 | L | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.9 | -179.2 | -57.2 | -172.5 | 0 | 0 | 0 | 111.6 | F67 L102 Y105 L125 L126 D127 | F67-L70 HydrophobicContact CB-CB 4.04Å; F67-L70 HydrophobicContact CB-CD1 3.69Å; F67-L70 HydrophobicContact CB-CG 3.81Å; F67-L70 HydrophobicContact CD2-CD1 4.42Å; F67-L70 HydrophobicContact CG-CD1 4.02Å; F67-L70 PolarHBondContact O-N 3.41Å; F67-L70 VanDerWaalsContact O-N 3.12Å; L70-L102 HydrophobicContact CB-CD2 3.9Å; L70-L102 HydrophobicContact CD1-CD2 4.17Å; L70-Y105 HydrophobicContact CD1-CD1 3.75Å; L70-Y105 HydrophobicContact CD1-CE1 4.21Å; L70-Y105 HydrophobicContact CD2-CD1 4.07Å; L70-Y105 HydrophobicContact CD2-CE1 3.7Å; L70-L125 HydrophobicContact CB-CD1 4.46Å; L70-L126 WeakPolarHBondContact CA-O 3.4Å; L70-D127 HydrophobicContact CD2-CB 3.57Å; L70-D127 VanDerWaalsContact CD2-CG 3.5Å |
| 71 | W | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.7 | 177.2 | -58.9 | 62.9 | 0 | 0 | 0 | 108.6 | E35 V37 F45 P61 R63 L125 L126 | E35-W71 HydrophobicContact CG-CZ3 3.9Å; V37-W71 HydrophobicContact CG1-CZ2 4.31Å; F45-W71 HydrophobicContact CD2-CE3 4.34Å; F45-W71 HydrophobicContact CE2-CB 4.13Å; F45-W71 HydrophobicContact CE2-CE3 4.43Å; F45-W71 HydrophobicContact CZ-CB 4.25Å; P61-W71 HydrophobicContact CB-CE3 4.13Å; R63-W71 HydrophobicContact CG-CD2 4.13Å; R63-W71 HydrophobicContact CG-CE3 4.25Å; R63-W71 HydrophobicContact CG-CG 4.35Å; R63-W71 VanDerWaalsContact NH1-CH2 3.28Å; W71-L125 CarbonylContact O-C 3.55Å; W71-L125 WeakPolarHBondContact O-CA 3.33Å; W71-L126 HydrophobicContact CB-CB 4.18Å; W71-L126 HydrophobicContact CB-CD2 4.39Å; W71-L126 HydrophobicContact CG-CD2 4.22Å; W71-L126 PolarHBondContact N-O 3.18Å; W71-L126 PolarHBondContact O-N 2.92Å |
| 72 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.7 | -179.4 | 173.7 | 67.9 | 0 | 0 | 0 | 111.2 | P61 L62 Y74 G98 L101 L102 F123 L125 | P61-L72 CarbonylContact C-O 3.56Å; P61-L72 WeakPolarHBondContact CA-O 3.42Å; L62-L72 HydrophobicContact CB-CB 4.28Å; L62-L72 HydrophobicContact CD2-CD2 4.24Å; L62-L72 PolarHBondContact N-O 2.87Å; L62-L72 PolarHBondContact O-N 3.37Å; L62-L72 VanDerWaalsContact O-N 3.11Å; L72-Y74 HydrophobicContact CD2-CD1 4.37Å; L72-Y74 HydrophobicContact CG-CD1 4.47Å; L72-G98 WeakPolarHBondContact CD2-O 3.22Å; L72-L101 HydrophobicContact CD1-CD2 4Å; L72-L101 HydrophobicContact CD2-CB 3.8Å; L72-L101 HydrophobicContact CD2-CD2 4.18Å; L72-L102 HydrophobicContact CB-CD2 3.74Å; L72-L102 HydrophobicContact CB-CG 4.38Å; L72-L102 HydrophobicContact CD2-CD2 4.25Å; L72-L102 HydrophobicContact CD2-CG 4.19Å; L72-F123 HydrophobicContact CD1-CB 4.03Å; L72-L125 HydrophobicContact CB-CD1 4.24Å; L72-L125 HydrophobicContact CD1-CB 4.27Å |
| 73 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.3 | 159.8 | -87.5 | 0 | 0 | 0 | 0 | 108.7 | I4 F45 Q60 F123 I124 | I4-C73 HydrophobicContact CB-CB 4.38Å; I4-C73 HydrophobicContact CG2-CB 4.21Å; F45-C73 HydrophobicContact CD1-CB 3.98Å; F45-C73 HydrophobicContact CE1-CB 4.39Å; Q60-C73 VanDerWaalsContact OE1-CA 3.29Å; C73-F123 CarbonylContact O-C 3.46Å; C73-F123 VanDerWaalsContact O-CA 3.32Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; C73-I124 PolarHBondContact N-O 3.19Å; C73-I124 PolarHBondContact O-N 3.27Å |
| 74 | Y | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.5 | 173.5 | 85.9 | -64.5 | 0 | 0 | 0 | 111.8 | Q60 L72 G76 I78 D97 G98 A122 | Q60-Y74 PolarHBondContact NE2-O 2.9Å; Q60-Y74 VanDerWaalsContact NE2-O 3.13Å; Q60-Y74 PolarHBondContact OE1-O 3.41Å; L72-Y74 HydrophobicContact CD2-CD1 4.37Å; L72-Y74 HydrophobicContact CG-CD1 4.47Å; Y74-G76 VanDerWaalsContact CE2-O 3.26Å; Y74-G76 WeakPolarHBondContact CE2-O 3.43Å; Y74-I78 HydrophobicContact CE2-CG1 4.46Å; Y74-D97 PolarHBondContact OH-OD1 3.18Å; Y74-D97 PolarHBondContact OH-OD2 2.89Å; Y74-G98 WeakPolarHBondContact OH-CA 3.38Å; Y74-G98 PolarHBondContact OH-N 2.98Å; Y74-A122 CarbonylContact C-O 3.4Å; Y74-A122 WeakPolarHBondContact CA-O 3.4Å; Y74-A122 WeakPolarHBondContact CB-O 3.27Å |
| 75 | N | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.1 | 164.9 | 167.7 | 32 | 0 | 0 | 0 | 107 | C2 I4 R27 F121 A122 R143 | C2-N75 HydrophobicContact CB-CB 4.11Å; C2-N75 PolarHBondContact N-OD1 3.46Å; C2-N75 PolarHBondContact O-ND2 3.14Å; C2-N75 PolarHBondContact O-OD1 3.17Å; I4-N75 HydrophobicContact CG2-CB 4.04Å; R27-N75 PolarHBondContact NH2-ND2 3.07Å; N75-F121 CarbonylContact O-C 3.58Å; N75-F121 WeakPolarHBondContact O-CA 3.22Å; N75-A122 PolarHBondContact N-O 3.06Å; N75-A122 PolarHBondContact O-N 3.33Å; N75-R143 WeakPolarHBondContact O-CB 3.23Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.5Å |
| 76 | G | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172 | -180 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y74 V120 | Y74-G76 VanDerWaalsContact CE2-O 3.26Å; Y74-G76 WeakPolarHBondContact CE2-O 3.43Å; G76-V120 CarbonylContact C-O 3.6Å; G76-V120 WeakPolarHBondContact CA-O 3.13Å |
| 77 | E | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 120.7 | 176.4 | -68.5 | -72.3 | 155.4 | 0 | 0 | 108 | I52 Y79 D97 G119 V120 M248 E415 R417 | I52-E77 WeakPolarHBondContact CB-OE1 3.36Å; 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 3.42Å; E77-G119 CarbonylContact O-C 3.47Å; E77-G119 WeakPolarHBondContact O-CA 3.32Å; E77-V120 HydrophobicContact CB-CG2 4.44Å; E77-V120 PolarHBondContact N-O 3.26Å; E77-V120 PolarHBondContact O-N 3.28Å; E77-M248 HydrophobicContact CB-CE 4.21Å; E77-M248 WeakPolarHBondContact OE2-CE 3.5Å; E77-E415 VanDerWaalsContact CG-OE2 3.32Å; E77-E415 WeakPolarHBondContact CG-OE2 3.39Å; E77-R417 VanDerWaalsContact CD-NH2 3.26Å; E77-R417 IonicContact OE1-NH2 3.27Å; E77-R417 IonicContact OE2-NH2 2.77Å; E77-R417 PolarHBondContact OE2-NH2 2.99Å |
| 78 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 88.8 | 178.7 | -46.8 | -57.6 | 0 | 0 | 0 | 109.4 | Y74 N80 H81 D97 V100 L101 L117 F121 | Y74-I78 HydrophobicContact CE2-CG1 4.46Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.46Å; I78-N80 PolarHBondContact O-N 3.21Å; I78-H81 HydrophobicContact CB-CB 4.28Å; I78-H81 HydrophobicContact CG2-CB 4.23Å; I78-H81 VanDerWaalsContact O-CB 3.31Å; I78-H81 WeakPolarHBondContact O-CB 3.39Å; I78-H81 PolarHBondContact O-CD2 3.47Å; I78-H81 PolarHBondContact O-N 3.37Å; I78-D97 HydrophobicContact CB-CB 4.4Å; I78-D97 PolarHBondContact N-OD2 3.05Å; I78-V100 HydrophobicContact CB-CG1 4.25Å; I78-V100 HydrophobicContact CG1-CG1 4.38Å; I78-V100 HydrophobicContact CG2-CG1 3.8Å; I78-L101 HydrophobicContact CD1-CD1 4.01Å; I78-L101 HydrophobicContact CG1-CD1 3.72Å; I78-L117 HydrophobicContact CD1-CB 4.35Å; I78-L117 HydrophobicContact CD1-CD1 4.22Å; I78-L117 HydrophobicContact CD1-CD2 4.4Å; I78-L117 HydrophobicContact CG2-CB 4.5Å; I78-L117 HydrophobicContact CG2-CD2 3.95Å; I78-F121 HydrophobicContact CD1-CB 4.14Å; I78-F121 HydrophobicContact CD1-CD1 3.75Å; I78-F121 HydrophobicContact CD1-CG 4.23Å |
| 79 | Y | 98.3 | Very high | 98 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 7% | 0.071 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.5 | -170.2 | -51.1 | -59.6 | 0 | 0 | 0 | 113.7 | 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 3.49Å; Y79-D118 PolarHBondContact N-O 2.85Å; Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.3Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; Y79-R246 HydrophobicContact CD1-CG 4.12Å; Y79-R246 HydrophobicContact CD2-CG 4.41Å; Y79-R246 HydrophobicContact CE1-CB 4.38Å; Y79-R246 HydrophobicContact CE1-CG 3.68Å; Y79-R246 HydrophobicContact CE2-CG 4.01Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; Y79-M248 HydrophobicContact CD1-CE 4.22Å |
| 80 | N | 98 | Very high | 98 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 10.9 | 177.8 | 71.1 | -17.8 | 0 | 0 | 0 | 114.6 | I78 Q82 A83 L84 L116 D118 | I78-N80 WeakPolarHBondContact CG2-OD1 3.46Å; I78-N80 PolarHBondContact O-N 3.21Å; N80-Q82 VanDerWaalsContact C-N 3.28Å; N80-Q82 PolarHBondContact O-N 3.12Å; N80-A83 PolarHBondContact O-N 3.43Å; N80-A83 VanDerWaalsContact O-N 3.1Å; N80-L84 WeakPolarHBondContact O-CG 3.46Å; N80-L84 PolarHBondContact O-N 3.36Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.38Å; N80-L116 PolarHBondContact ND2-O 3.14Å; N80-D118 HydrophobicContact CB-CB 3.77Å; N80-D118 VanDerWaalsContact CG-CB 3.41Å; N80-D118 PolarHBondContact N-O 3.37Å; N80-D118 PolarHBondContact ND2-N 3.27Å; N80-D118 PolarHBondContact OD1-N 3.08Å |
| 81 | H | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -36.8 | -173.1 | 79.4 | 105.6 | 0 | 0 | 0 | 113.7 | I78 K85 D97 V100 M248 | I78-H81 HydrophobicContact CB-CB 4.28Å; I78-H81 HydrophobicContact CG2-CB 4.23Å; I78-H81 VanDerWaalsContact O-CB 3.31Å; I78-H81 WeakPolarHBondContact O-CB 3.39Å; I78-H81 PolarHBondContact O-CD2 3.47Å; I78-H81 PolarHBondContact O-N 3.37Å; H81-K85 VanDerWaalsContact O-CB 3.27Å; H81-K85 WeakPolarHBondContact O-CB 3.36Å; H81-K85 PolarHBondContact O-N 2.96Å; H81-D97 HydrophobicContact CB-CB 4.17Å; H81-D97 WeakPolarHBondContact CB-O 3.41Å; H81-V100 HydrophobicContact CB-CB 4.1Å; H81-V100 HydrophobicContact CB-CG1 4Å; H81-M248 PolarHBondContact CD2-SD 2.77Å; H81-M248 PolarHBondContact NE2-SD 3.19Å; H81-M248 VanDerWaalsContact NE2-SD 3.36Å |
| 82 | Q | 96.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 39.4 Ų | 39.4 | 46% | 0.458 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.7 | -38.3 | 178.1 | -65 | -62.8 | -5.7 | 0 | 0 | 112.6 | N80 K85 T86 | N80-Q82 VanDerWaalsContact C-N 3.28Å; N80-Q82 PolarHBondContact O-N 3.12Å; Q82-K85 PolarHBondContact O-N 2.95Å; Q82-T86 WeakPolarHBondContact O-CB 3.43Å; Q82-T86 PolarHBondContact O-N 3.48Å; Q82-T86 PolarHBondContact O-OG1 3.15Å |
| 83 | A | 96.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N80 T86 K87 | N80-A83 PolarHBondContact O-N 3.43Å; N80-A83 VanDerWaalsContact O-N 3.1Å; A83-T86 PolarHBondContact O-N 3.39Å; A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.98Å |
| 84 | L | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.3 | -62.7 | 173.7 | 0 | 0 | 0 | 112.1 | N80 T86 K87 F88 V100 L104 Y216 | N80-L84 WeakPolarHBondContact O-CG 3.46Å; N80-L84 PolarHBondContact O-N 3.36Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.38Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-T86 PolarHBondContact O-N 2.83Å; L84-K87 PolarHBondContact O-N 3.33Å; L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CD2-CD2 4.42Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 WeakPolarHBondContact O-CB 3.42Å; L84-F88 VanDerWaalsContact O-CD2 3.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.42Å; L84-V100 HydrophobicContact CB-CG2 3.85Å; L84-V100 HydrophobicContact CD1-CG2 4.01Å; L84-L104 HydrophobicContact CD1-CD1 4.11Å; L84-Y216 HydrophobicContact CD2-CD2 4.16Å; L84-Y216 HydrophobicContact CD2-CG 4.29Å |
| 85 | K | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.3 | -50.1 | 174.5 | -179.4 | -178.7 | 178 | 178.1 | 0 | 111.4 | H81 Q82 D89 F90 Y92 | H81-K85 VanDerWaalsContact O-CB 3.27Å; H81-K85 WeakPolarHBondContact O-CB 3.36Å; H81-K85 PolarHBondContact O-N 2.96Å; Q82-K85 PolarHBondContact O-N 2.95Å; K85-D89 WeakPolarHBondContact O-CA 3.13Å; K85-D89 PolarHBondContact O-N 3.47Å; K85-F90 VanDerWaalsContact CE-O 3.24Å; K85-F90 WeakPolarHBondContact CE-O 3.32Å; K85-F90 HydrophobicContact CG-CB 4.22Å; K85-F90 WeakPolarHBondContact CG-O 3.43Å; K85-F90 PolarHBondContact O-N 2.84Å; K85-Y92 HydrophobicContact CB-CE1 4.03Å; K85-Y92 HydrophobicContact CD-CD1 3.92Å; K85-Y92 HydrophobicContact CD-CD2 4.1Å; K85-Y92 HydrophobicContact CD-CE1 3.96Å; K85-Y92 HydrophobicContact CD-CE2 4.13Å; K85-Y92 HydrophobicContact CD-CG 3.97Å; K85-Y92 HydrophobicContact CG-CD1 4.02Å; K85-Y92 HydrophobicContact CG-CE1 3.74Å |
| 86 | T | 96.5 | Very high | 97.7 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 69% | 0.693 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.9 | -45.6 | -179.1 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | Q82 A83 L84 F88 D89 | Q82-T86 WeakPolarHBondContact O-CB 3.43Å; Q82-T86 PolarHBondContact O-N 3.48Å; Q82-T86 PolarHBondContact O-OG1 3.15Å; A83-T86 PolarHBondContact O-N 3.39Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-T86 PolarHBondContact O-N 2.83Å; T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 2.93Å; T86-D89 PolarHBondContact O-N 3Å |
| 87 | K | 96.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 51.4 Ų | 51.4 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | -177.6 | 178.9 | 61 | 174.1 | -177.9 | 0 | 113.1 | A83 L84 Y216 | A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.98Å; L84-K87 PolarHBondContact O-N 3.33Å; K87-Y216 HydrophobicContact CD-CD1 4.15Å; K87-Y216 HydrophobicContact CD-CE1 4.25Å; K87-Y216 HydrophobicContact CG-CD1 3.69Å; K87-Y216 HydrophobicContact CG-CE1 3.78Å |
| 88 | F | 97.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -103.8 | 4.8 | -175.4 | -64.3 | -57.1 | 0 | 0 | 0 | 113.4 | L84 T86 F90 L104 R107 F108 L116 Y216 | L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CD2-CD2 4.42Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 WeakPolarHBondContact O-CB 3.42Å; L84-F88 VanDerWaalsContact O-CD2 3.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.42Å; T86-F88 VanDerWaalsContact C-N 3.31Å; T86-F88 PolarHBondContact O-N 2.93Å; F88-F90 HydrophobicContact CB-CD1 4.01Å; F88-F90 HydrophobicContact CB-CD2 3.96Å; F88-F90 HydrophobicContact CB-CE1 3.66Å; F88-F90 HydrophobicContact CB-CE2 3.58Å; F88-F90 HydrophobicContact CB-CG 4.17Å; F88-F90 HydrophobicContact CB-CZ 3.42Å; F88-F90 VanDerWaalsContact CB-CZ 3.42Å; F88-F90 AromaticContact CD2-CE2 3.83Å; F88-F90 HydrophobicContact CD2-CE2 3.83Å; F88-F90 HydrophobicContact CD2-CZ 4.01Å; F88-F90 HydrophobicContact CG-CE2 4.1Å; F88-F90 AromaticContact CG-CZ 3.94Å; F88-F90 HydrophobicContact CG-CZ 3.94Å; F88-F90 PolarHBondContact O-N 3.3Å; F88-L104 HydrophobicContact CD2-CD2 4.19Å; F88-L104 HydrophobicContact CE2-CD2 4.13Å; F88-R107 PolarHBondContact O-NH1 3.39Å; F88-R107 PolarHBondContact O-NH2 2.96Å; F88-R107 VanDerWaalsContact O-NH2 3.08Å; F88-F108 HydrophobicContact CD1-CE2 4.06Å; F88-F108 AromaticContact CD1-CZ 3.8Å; F88-F108 HydrophobicContact CD1-CZ 3.8Å; F88-F108 HydrophobicContact CD2-CE2 4.31Å; F88-F108 AromaticContact CE1-CE2 3.95Å; F88-F108 HydrophobicContact CE1-CE2 3.95Å; F88-F108 AromaticContact CE1-CZ 3.64Å; F88-F108 HydrophobicContact CE1-CZ 3.64Å; F88-F108 HydrophobicContact CE2-CE2 4.2Å; F88-F108 HydrophobicContact CG-CE2 4.24Å; F88-F108 HydrophobicContact CG-CZ 4.4Å; F88-F108 HydrophobicContact CZ-CE2 4.02Å; F88-F108 HydrophobicContact CZ-CZ 4.12Å; F88-L116 HydrophobicContact CE2-CD1 4.28Å; F88-L116 HydrophobicContact CZ-CD1 4.34Å; F88-Y216 AromaticContact CZ-CE1 3.94Å; F88-Y216 HydrophobicContact CZ-CE1 3.94Å; F88-Y216 HydrophobicContact CZ-CE2 4.39Å; F88-Y216 AromaticContact CZ-CZ 3.73Å |
| 89 | D | 97.8 | Very high | 97.7 | Very high | 141 Ų | 141 | 51.2 Ų | 51.2 | 75% | 0.754 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 55.1 | -179.7 | -166.9 | 34.8 | 0 | 0 | 0 | 111.8 | K85 T86 | K85-D89 WeakPolarHBondContact O-CA 3.13Å; K85-D89 PolarHBondContact O-N 3.47Å; T86-D89 PolarHBondContact O-N 3Å |
| 90 | F | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -87.2 | 122.7 | 179 | -64 | -39.8 | 0 | 0 | 0 | 111.4 | K85 F88 Y92 V100 H103 L104 F108 | K85-F90 VanDerWaalsContact CE-O 3.24Å; K85-F90 WeakPolarHBondContact CE-O 3.32Å; K85-F90 HydrophobicContact CG-CB 4.22Å; K85-F90 WeakPolarHBondContact CG-O 3.43Å; K85-F90 PolarHBondContact O-N 2.84Å; F88-F90 HydrophobicContact CB-CD1 4.01Å; F88-F90 HydrophobicContact CB-CD2 3.96Å; F88-F90 HydrophobicContact CB-CE1 3.66Å; F88-F90 HydrophobicContact CB-CE2 3.58Å; F88-F90 HydrophobicContact CB-CG 4.17Å; F88-F90 HydrophobicContact CB-CZ 3.42Å; F88-F90 VanDerWaalsContact CB-CZ 3.42Å; F88-F90 AromaticContact CD2-CE2 3.83Å; F88-F90 HydrophobicContact CD2-CE2 3.83Å; F88-F90 HydrophobicContact CD2-CZ 4.01Å; F88-F90 HydrophobicContact CG-CE2 4.1Å; F88-F90 AromaticContact CG-CZ 3.94Å; F88-F90 HydrophobicContact CG-CZ 3.94Å; F88-F90 PolarHBondContact O-N 3.3Å; F90-Y92 HydrophobicContact CB-CD1 3.93Å; F90-Y92 HydrophobicContact CB-CE1 3.56Å; F90-Y92 HydrophobicContact CD2-CE1 4.36Å; F90-Y92 HydrophobicContact CG-CE1 4.41Å; F90-Y92 PolarHBondContact O-N 2.99Å; F90-V100 HydrophobicContact CE2-CG2 4.45Å; F90-H103 HydrophobicContact CB-CB 4.23Å; F90-H103 HydrophobicContact CD1-CB 3.62Å; F90-H103 HydrophobicContact CD2-CB 3.69Å; F90-H103 HydrophobicContact CE1-CB 3.68Å; F90-H103 HydrophobicContact CE2-CB 3.8Å; F90-H103 HydrophobicContact CG-CB 3.61Å; F90-H103 AromaticContact CG-CG 3.88Å; F90-H103 HydrophobicContact CZ-CB 3.79Å; F90-L104 HydrophobicContact CE2-CD2 3.92Å; F90-L104 HydrophobicContact CE2-CG 4.13Å; F90-L104 HydrophobicContact CZ-CD2 4.03Å; F90-L104 HydrophobicContact CZ-CG 4.42Å; F90-F108 HydrophobicContact CZ-CE2 4.43Å | ||
| 91 | D | 97.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 49.6 Ų | 49.6 | 67% | 0.674 | 25% | 0.249 | S | C | * | . | trans | -84.2 | 109.6 | 172.8 | -177.5 | 29.3 | 0 | 0 | 0 | 111 | H103 | D91-H103 PolarHBondContact O-CE1 3.12Å; D91-H103 PolarHBondContact O-NE2 3.47Å | ||
| 92 | Y | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 9% | 0.09 | 25% | 0.247 | C | C | . | . | trans | -92.7 | 143.5 | -174.6 | -80.2 | 25.6 | 0 | 0 | 0 | 111.8 | K85 F90 T94 E99 V100 H103 | K85-Y92 HydrophobicContact CB-CE1 4.03Å; K85-Y92 HydrophobicContact CD-CD1 3.92Å; K85-Y92 HydrophobicContact CD-CD2 4.1Å; K85-Y92 HydrophobicContact CD-CE1 3.96Å; K85-Y92 HydrophobicContact CD-CE2 4.13Å; K85-Y92 HydrophobicContact CD-CG 3.97Å; K85-Y92 HydrophobicContact CG-CD1 4.02Å; K85-Y92 HydrophobicContact CG-CE1 3.74Å; F90-Y92 HydrophobicContact CB-CD1 3.93Å; F90-Y92 HydrophobicContact CB-CE1 3.56Å; F90-Y92 HydrophobicContact CD2-CE1 4.36Å; F90-Y92 HydrophobicContact CG-CE1 4.41Å; F90-Y92 PolarHBondContact O-N 2.99Å; Y92-T94 WeakPolarHBondContact CB-O 3.41Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.48Å; Y92-E99 HydrophobicContact CD2-CB 4.01Å; Y92-E99 HydrophobicContact CD2-CG 4.22Å; Y92-E99 HydrophobicContact CE2-CB 3.99Å; Y92-E99 HydrophobicContact CE2-CG 4.46Å; Y92-E99 HydrophobicContact CG-CG 4.28Å; Y92-V100 VanDerWaalsContact OH-CA 3.24Å; Y92-V100 WeakPolarHBondContact OH-CA 3.18Å; Y92-V100 WeakPolarHBondContact OH-CB 3.45Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.29Å; Y92-H103 AromaticContact CD1-CD2 3.75Å; Y92-H103 AromaticContact CD1-NE2 3.53Å; Y92-H103 AromaticContact CE1-CD2 3.57Å; Y92-H103 AromaticContact CE1-NE2 3.87Å | ||
| 93 | Q | 98.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 44.7 Ų | 44.7 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -87.9 | -32.7 | 170.6 | -170.7 | -179.6 | -65 | 0 | 0 | 112.6 | V64 E99 | V64-Q93 HydrophobicContact CB-CB 4.16Å; V64-Q93 HydrophobicContact CG1-CB 4.03Å; Q93-E99 PolarHBondContact N-OE1 3.4Å; Q93-E99 PolarHBondContact N-OE2 2.94Å |
| 94 | T | 97.6 | Very high | 98 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -112.9 | -179.1 | -178.5 | 76.4 | 0 | 0 | 0 | 0 | 110.7 | L62 Y92 V96 E99 | L62-T94 HydrophobicContact CD1-CG2 3.91Å; Y92-T94 WeakPolarHBondContact CB-O 3.41Å; T94-V96 WeakPolarHBondContact OG1-CG1 2.86Å; T94-V96 PolarHBondContact OG1-N 3.46Å; T94-E99 WeakPolarHBondContact CA-OE2 3.35Å; T94-E99 VanDerWaalsContact CB-OE2 3.26Å; T94-E99 WeakPolarHBondContact CB-OE2 3.39Å; T94-E99 PolarHBondContact N-OE2 3.45Å; T94-E99 PolarHBondContact OG1-OE2 2.85Å |
| 95 | K | 97.1 | Very high | 98 | Very high | 141 Ų | 141 | 43.8 Ų | 43.8 | 61% | 0.613 | 22% | 0.215 | S | C | * | . | trans | -113.1 | 6.8 | 172.2 | -55.8 | 176.7 | -178.4 | 178.8 | 0 | 111.9 | V53 D54 | V53-K95 WeakPolarHBondContact CG1-O 3.35Å; D54-K95 HydrophobicContact CB-CB 3.79Å; D54-K95 WeakPolarHBondContact OD2-CA 3.28Å; D54-K95 WeakPolarHBondContact OD2-CB 3.47Å; D54-K95 PolarHBondContact OD2-N 3.46Å | ||
| 96 | V | 98.2 | Very high | 98.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | trans | -74.4 | 140.6 | 177.1 | 84.1 | 0 | 0 | 0 | 0 | 109.7 | D54 L62 T94 G98 E99 | D54-V96 HydrophobicContact CB-CB 4.24Å; D54-V96 PolarHBondContact OD2-N 3.04Å; L62-V96 HydrophobicContact CD1-CG1 4.26Å; L62-V96 HydrophobicContact CD2-CG1 3.95Å; T94-V96 WeakPolarHBondContact OG1-CG1 2.86Å; T94-V96 PolarHBondContact OG1-N 3.46Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.27Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.13Å | ||
| 97 | D | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.3 | -178.5 | 57.2 | -63.7 | 0 | 0 | 0 | 112.2 | Y74 E77 I78 H81 E99 V100 M248 | Y74-D97 PolarHBondContact OH-OD1 3.18Å; Y74-D97 PolarHBondContact OH-OD2 2.89Å; E77-D97 WeakPolarHBondContact CA-OD2 3.42Å; I78-D97 HydrophobicContact CB-CB 4.4Å; I78-D97 PolarHBondContact N-OD2 3.05Å; H81-D97 HydrophobicContact CB-CB 4.17Å; H81-D97 WeakPolarHBondContact CB-O 3.41Å; D97-E99 PolarHBondContact O-N 3.26Å; D97-E99 VanDerWaalsContact O-N 3.15Å; D97-V100 WeakPolarHBondContact O-CG1 3.5Å; D97-V100 PolarHBondContact O-N 3.25Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.24Å |
| 98 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | L72 Y74 V96 V100 L101 | L72-G98 WeakPolarHBondContact CD2-O 3.22Å; Y74-G98 WeakPolarHBondContact OH-CA 3.38Å; Y74-G98 PolarHBondContact OH-N 2.98Å; V96-G98 VanDerWaalsContact C-N 3.29Å; V96-G98 PolarHBondContact O-N 3.27Å; G98-V100 PolarHBondContact O-N 2.91Å; G98-V100 VanDerWaalsContact O-N 3.14Å; G98-L101 WeakPolarHBondContact O-CB 3.35Å; G98-L101 PolarHBondContact O-N 2.96Å; G98-L101 VanDerWaalsContact O-N 3.09Å |
| 99 | E | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -27.4 | 174.1 | -175.1 | 172.5 | 159 | 0 | 0 | 111.8 | L62 V64 Y92 Q93 T94 V96 D97 L101 L102 H103 | L62-E99 HydrophobicContact CD2-CB 3.98Å; L62-E99 HydrophobicContact CD2-CG 4.48Å; V64-E99 HydrophobicContact CG1-CG 4.23Å; Y92-E99 WeakPolarHBondContact CA-OE1 3.48Å; Y92-E99 HydrophobicContact CD2-CB 4.01Å; Y92-E99 HydrophobicContact CD2-CG 4.22Å; Y92-E99 HydrophobicContact CE2-CB 3.99Å; Y92-E99 HydrophobicContact CE2-CG 4.46Å; Y92-E99 HydrophobicContact CG-CG 4.28Å; Q93-E99 PolarHBondContact N-OE1 3.4Å; Q93-E99 PolarHBondContact N-OE2 2.94Å; T94-E99 WeakPolarHBondContact CA-OE2 3.35Å; T94-E99 VanDerWaalsContact CB-OE2 3.26Å; T94-E99 WeakPolarHBondContact CB-OE2 3.39Å; T94-E99 PolarHBondContact N-OE2 3.45Å; T94-E99 PolarHBondContact OG1-OE2 2.85Å; V96-E99 HydrophobicContact CG1-CB 4.34Å; V96-E99 PolarHBondContact O-N 3.13Å; D97-E99 PolarHBondContact O-N 3.26Å; D97-E99 VanDerWaalsContact O-N 3.15Å; E99-L101 PolarHBondContact O-N 3.46Å; E99-L101 VanDerWaalsContact O-N 3.13Å; E99-L102 WeakPolarHBondContact O-CB 3.35Å; E99-L102 PolarHBondContact O-N 3.43Å; E99-H103 PolarHBondContact O-CD2 2.94Å; E99-H103 IonicContact OE1-CD2 2.73Å; E99-H103 IonicContact OE1-NE2 2.72Å; E99-H103 PolarHBondContact OE1-NE2 3.04Å |
| 100 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.3 | -32.3 | 176.7 | 76.8 | 0 | 0 | 0 | 0 | 113 | I78 H81 L84 F90 Y92 D97 G98 L102 H103 L104 L117 | I78-V100 HydrophobicContact CB-CG1 4.25Å; I78-V100 HydrophobicContact CG1-CG1 4.38Å; I78-V100 HydrophobicContact CG2-CG1 3.8Å; H81-V100 HydrophobicContact CB-CB 4.1Å; H81-V100 HydrophobicContact CB-CG1 4Å; L84-V100 HydrophobicContact CB-CG2 3.85Å; L84-V100 HydrophobicContact CD1-CG2 4.01Å; F90-V100 HydrophobicContact CE2-CG2 4.45Å; Y92-V100 VanDerWaalsContact OH-CA 3.24Å; Y92-V100 WeakPolarHBondContact OH-CA 3.18Å; Y92-V100 WeakPolarHBondContact OH-CB 3.45Å; Y92-V100 WeakPolarHBondContact OH-CG2 3.29Å; D97-V100 WeakPolarHBondContact O-CG1 3.5Å; D97-V100 PolarHBondContact O-N 3.25Å; G98-V100 PolarHBondContact O-N 2.91Å; G98-V100 VanDerWaalsContact O-N 3.14Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 3.31Å; V100-H103 PolarHBondContact O-N 2.86Å; V100-L104 HydrophobicContact CG2-CD1 3.93Å; V100-L104 HydrophobicContact CG2-CG 4.1Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.41Å; V100-L117 HydrophobicContact CG1-CD2 4.2Å |
| 101 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.7 | -82.7 | 69.2 | 0 | 0 | 0 | 110.9 | L72 I78 G98 E99 L104 Y105 M113 L117 F123 | L72-L101 HydrophobicContact CD1-CD2 4Å; L72-L101 HydrophobicContact CD2-CB 3.8Å; L72-L101 HydrophobicContact CD2-CD2 4.18Å; I78-L101 HydrophobicContact CD1-CD1 4.01Å; I78-L101 HydrophobicContact CG1-CD1 3.72Å; G98-L101 WeakPolarHBondContact O-CB 3.35Å; G98-L101 PolarHBondContact O-N 2.96Å; G98-L101 VanDerWaalsContact O-N 3.09Å; E99-L101 PolarHBondContact O-N 3.46Å; E99-L101 VanDerWaalsContact O-N 3.13Å; L101-L104 PolarHBondContact O-N 2.78Å; L101-Y105 VanDerWaalsContact O-CB 3.22Å; L101-Y105 WeakPolarHBondContact O-CB 3.42Å; L101-Y105 PolarHBondContact O-N 2.54Å; L101-M113 HydrophobicContact CB-SD 3.88Å; L101-M113 HydrophobicContact CD2-CE 4.35Å; L101-M113 HydrophobicContact CG-CE 4.35Å; L101-M113 HydrophobicContact CG-SD 4.07Å; L101-L117 HydrophobicContact CD1-CD1 4Å; L101-L117 HydrophobicContact CD1-CD2 3.79Å; L101-L117 HydrophobicContact CD2-CD1 4.28Å; L101-L117 HydrophobicContact CG-CD1 3.99Å; L101-L117 HydrophobicContact CG-CD2 4.24Å; L101-F123 HydrophobicContact CD2-CB 4.1Å; L101-F123 HydrophobicContact CD2-CD1 3.93Å; L101-F123 HydrophobicContact CD2-CG 4.05Å |
| 102 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | -179.9 | -62.7 | -179.1 | 0 | 0 | 0 | 111.3 | L62 V64 F67 L70 L72 E99 V100 Y105 D106 L125 | L62-L102 HydrophobicContact CD2-CD1 4.06Å; L62-L102 HydrophobicContact CG-CD1 4.13Å; V64-L102 HydrophobicContact CG1-CD1 4.1Å; V64-L102 HydrophobicContact CG2-CD1 3.86Å; F67-L102 HydrophobicContact CD2-CB 3.85Å; F67-L102 HydrophobicContact CE2-CB 4.08Å; L70-L102 HydrophobicContact CB-CD2 3.9Å; L70-L102 HydrophobicContact CD1-CD2 4.17Å; L72-L102 HydrophobicContact CB-CD2 3.74Å; L72-L102 HydrophobicContact CB-CG 4.38Å; L72-L102 HydrophobicContact CD2-CD2 4.25Å; L72-L102 HydrophobicContact CD2-CG 4.19Å; E99-L102 WeakPolarHBondContact O-CB 3.35Å; E99-L102 PolarHBondContact O-N 3.43Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 3.31Å; L102-Y105 PolarHBondContact O-N 3.1Å; L102-D106 WeakPolarHBondContact O-CB 3.09Å; L102-D106 PolarHBondContact O-N 3.17Å; L102-L125 HydrophobicContact CD2-CD1 3.78Å |
| 103 | H | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 180 | -68.5 | -84.3 | 0 | 0 | 0 | 112.7 | F67 F90 D91 Y92 E99 V100 R107 | F67-H103 HydrophobicContact CE2-CB 4.47Å; F67-H103 AromaticContact CE2-CE1 3.66Å; F67-H103 AromaticContact CE2-CG 3.83Å; F67-H103 AromaticContact CE2-ND1 3.52Å; F67-H103 AromaticContact CZ-CE1 3.96Å; F67-H103 AromaticContact CZ-ND1 3.51Å; F90-H103 HydrophobicContact CB-CB 4.23Å; F90-H103 HydrophobicContact CD1-CB 3.62Å; F90-H103 HydrophobicContact CD2-CB 3.69Å; F90-H103 HydrophobicContact CE1-CB 3.68Å; F90-H103 HydrophobicContact CE2-CB 3.8Å; F90-H103 HydrophobicContact CG-CB 3.61Å; F90-H103 AromaticContact CG-CG 3.88Å; F90-H103 HydrophobicContact CZ-CB 3.79Å; D91-H103 PolarHBondContact O-CE1 3.12Å; D91-H103 PolarHBondContact O-NE2 3.47Å; Y92-H103 AromaticContact CD1-CD2 3.75Å; Y92-H103 AromaticContact CD1-NE2 3.53Å; Y92-H103 AromaticContact CE1-CD2 3.57Å; Y92-H103 AromaticContact CE1-NE2 3.87Å; E99-H103 PolarHBondContact O-CD2 2.94Å; E99-H103 IonicContact OE1-CD2 2.73Å; E99-H103 IonicContact OE1-NE2 2.72Å; E99-H103 PolarHBondContact OE1-NE2 3.04Å; V100-H103 PolarHBondContact O-N 2.86Å; H103-R107 WeakPolarHBondContact O-CB 3.45Å; H103-R107 PolarHBondContact O-N 3.46Å; H103-R107 VanDerWaalsContact O-N 3.16Å |
| 104 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 176.3 | -74.5 | 173.1 | 0 | 0 | 0 | 112 | L84 F88 F90 V100 L101 F108 M113 L116 L117 | L84-L104 HydrophobicContact CD1-CD1 4.11Å; F88-L104 HydrophobicContact CD2-CD2 4.19Å; F88-L104 HydrophobicContact CE2-CD2 4.13Å; F90-L104 HydrophobicContact CE2-CD2 3.92Å; F90-L104 HydrophobicContact CE2-CG 4.13Å; F90-L104 HydrophobicContact CZ-CD2 4.03Å; F90-L104 HydrophobicContact CZ-CG 4.42Å; V100-L104 HydrophobicContact CG2-CD1 3.93Å; V100-L104 HydrophobicContact CG2-CG 4.1Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 2.78Å; L104-F108 HydrophobicContact CD2-CD2 3.9Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 WeakPolarHBondContact O-CA 3.44Å; L104-F108 WeakPolarHBondContact O-CB 3.39Å; L104-F108 PolarHBondContact O-N 3.09Å; L104-M113 HydrophobicContact CB-CB 3.91Å; L104-M113 HydrophobicContact CB-CG 3.69Å; L104-M113 HydrophobicContact CD1-CG 4.22Å; L104-L116 HydrophobicContact CD1-CB 4.44Å; L104-L116 HydrophobicContact CD2-CD1 3.98Å; L104-L117 HydrophobicContact CD1-CD2 3.78Å |
| 105 | Y | 98.9 | Very high | 98.4 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 176.9 | 171.2 | -99.3 | 0 | 0 | 0 | 111.2 | L70 L101 L102 R107 F108 G109 I110 L125 D127 Y134 | L70-Y105 HydrophobicContact CD1-CD1 3.75Å; L70-Y105 HydrophobicContact CD1-CE1 4.21Å; L70-Y105 HydrophobicContact CD2-CD1 4.07Å; L70-Y105 HydrophobicContact CD2-CE1 3.7Å; L101-Y105 VanDerWaalsContact O-CB 3.22Å; L101-Y105 WeakPolarHBondContact O-CB 3.42Å; L101-Y105 PolarHBondContact O-N 2.54Å; L102-Y105 PolarHBondContact O-N 3.1Å; Y105-R107 VanDerWaalsContact C-N 3.27Å; Y105-R107 PolarHBondContact O-N 3.4Å; Y105-F108 PolarHBondContact O-N 2.63Å; Y105-G109 VanDerWaalsContact O-CA 3.28Å; Y105-G109 WeakPolarHBondContact O-CA 3.32Å; Y105-G109 PolarHBondContact O-N 2.89Å; Y105-I110 HydrophobicContact CD2-CB 4.39Å; Y105-I110 HydrophobicContact CE2-CB 4.45Å; Y105-L125 HydrophobicContact CD1-CD2 3.92Å; Y105-L125 HydrophobicContact CD2-CD2 3.56Å; Y105-L125 HydrophobicContact CE1-CD2 4.34Å; Y105-L125 HydrophobicContact CE2-CD2 4.03Å; Y105-L125 HydrophobicContact CG-CD2 3.5Å; Y105-D127 HydrophobicContact CE1-CB 4.21Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.46Å; Y105-D127 PolarHBondContact OH-OD2 2.61Å; Y105-Y134 HydrophobicContact CE2-CD2 4.07Å; Y105-Y134 HydrophobicContact CE2-CE1 4.19Å; Y105-Y134 AromaticContact CE2-CE2 3.43Å; Y105-Y134 HydrophobicContact CE2-CE2 3.43Å; Y105-Y134 VanDerWaalsContact CE2-CE2 3.43Å; Y105-Y134 AromaticContact CE2-CZ 3.49Å; Y105-Y134 VanDerWaalsContact CE2-CZ 3.49Å; Y105-Y134 AromaticContact CZ-CE2 3.51Å; Y105-Y134 AromaticContact CZ-CZ 3.8Å; Y105-Y134 WeakPolarHBondContact OH-CE2 3.39Å; Y105-Y134 VanDerWaalsContact OH-CZ 3.31Å; Y105-Y134 PolarHBondContact OH-OH 3Å |
| 106 | D | 98.7 | Very high | 98.5 | Very high | 99 Ų | 99 | 27.2 Ų | 27.2 | 53% | 0.529 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 179.6 | 177 | 77.5 | 0 | 0 | 0 | 111.6 | F67 L102 | F67-D106 HydrophobicContact CD1-CB 4.09Å; F67-D106 HydrophobicContact CE1-CB 3.64Å; F67-D106 VanDerWaalsContact CE1-OD2 3.28Å; F67-D106 WeakPolarHBondContact CE1-OD2 3.29Å; F67-D106 HydrophobicContact CZ-CB 3.95Å; L102-D106 WeakPolarHBondContact O-CB 3.09Å; L102-D106 PolarHBondContact O-N 3.17Å |
| 107 | R | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 27.1 Ų | 27.1 | 43% | 0.434 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -81.1 | -37.7 | -176.8 | -169.8 | 175 | -71.2 | -176.3 | 6.9 | 114.3 | F88 H103 Y105 | F88-R107 PolarHBondContact O-NH1 3.39Å; F88-R107 PolarHBondContact O-NH2 2.96Å; F88-R107 VanDerWaalsContact O-NH2 3.08Å; H103-R107 WeakPolarHBondContact O-CB 3.45Å; H103-R107 PolarHBondContact O-N 3.46Å; H103-R107 VanDerWaalsContact O-N 3.16Å; Y105-R107 VanDerWaalsContact C-N 3.27Å; Y105-R107 PolarHBondContact O-N 3.4Å |
| 108 | F | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 27.4 Ų | 27.4 | 35% | 0.346 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -128.9 | -5.6 | -165.2 | -54 | -62.9 | 0 | 0 | 0 | 114.9 | F88 F90 L104 Y105 K112 | F88-F108 HydrophobicContact CD1-CE2 4.06Å; F88-F108 AromaticContact CD1-CZ 3.8Å; F88-F108 HydrophobicContact CD1-CZ 3.8Å; F88-F108 HydrophobicContact CD2-CE2 4.31Å; F88-F108 AromaticContact CE1-CE2 3.95Å; F88-F108 HydrophobicContact CE1-CE2 3.95Å; F88-F108 AromaticContact CE1-CZ 3.64Å; F88-F108 HydrophobicContact CE1-CZ 3.64Å; F88-F108 HydrophobicContact CE2-CE2 4.2Å; F88-F108 HydrophobicContact CG-CE2 4.24Å; F88-F108 HydrophobicContact CG-CZ 4.4Å; F88-F108 HydrophobicContact CZ-CE2 4.02Å; F88-F108 HydrophobicContact CZ-CZ 4.12Å; F90-F108 HydrophobicContact CZ-CE2 4.43Å; L104-F108 HydrophobicContact CD2-CD2 3.9Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 WeakPolarHBondContact O-CA 3.44Å; L104-F108 WeakPolarHBondContact O-CB 3.39Å; L104-F108 PolarHBondContact O-N 3.09Å; Y105-F108 PolarHBondContact O-N 2.63Å; F108-K112 HydrophobicContact CB-CB 3.64Å; F108-K112 HydrophobicContact CB-CG 3.69Å; F108-K112 HydrophobicContact CG-CG 4.14Å |
| 109 | G | 98.5 | Very high | 98.4 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 28% | 0.278 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | 74.5 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y105 Q111 M113 | Y105-G109 VanDerWaalsContact O-CA 3.28Å; Y105-G109 WeakPolarHBondContact O-CA 3.32Å; Y105-G109 PolarHBondContact O-N 2.89Å; G109-Q111 PolarHBondContact O-N 2.87Å; G109-M113 WeakPolarHBondContact O-CB 3.5Å; G109-M113 PolarHBondContact O-N 2.8Å |
| 110 | I | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | -166.7 | -169.9 | 67.9 | 0 | 0 | 0 | 114.1 | Y105 M113 A114 F123 Y134 F185 V187 | Y105-I110 HydrophobicContact CD2-CB 4.39Å; Y105-I110 HydrophobicContact CE2-CB 4.45Å; I110-M113 HydrophobicContact CD1-CE 3.49Å; I110-M113 VanDerWaalsContact CD1-CE 3.49Å; I110-M113 HydrophobicContact CD1-SD 4.35Å; I110-M113 PolarHBondContact O-N 3.34Å; I110-A114 WeakPolarHBondContact O-CB 3.5Å; I110-A114 PolarHBondContact O-N 3.49Å; I110-F123 HydrophobicContact CD1-CE2 3.87Å; I110-F123 HydrophobicContact CD1-CZ 3.81Å; I110-Y134 HydrophobicContact CB-CD1 3.75Å; I110-Y134 HydrophobicContact CB-CE1 3.84Å; I110-Y134 HydrophobicContact CD1-CD1 3.82Å; I110-Y134 HydrophobicContact CD1-CG 3.82Å; I110-Y134 HydrophobicContact CG1-CD1 3.58Å; I110-Y134 HydrophobicContact CG1-CE1 4.21Å; I110-Y134 HydrophobicContact CG1-CG 4.12Å; I110-Y134 HydrophobicContact CG2-CD1 4Å; I110-Y134 HydrophobicContact CG2-CE1 3.85Å; I110-F185 HydrophobicContact CG1-CB 4.37Å; I110-F185 HydrophobicContact CG1-CD2 3.84Å; I110-F185 HydrophobicContact CG1-CE2 4.4Å; I110-F185 HydrophobicContact CG1-CG 4.11Å; I110-F185 HydrophobicContact CG2-CD2 3.92Å; I110-F185 HydrophobicContact CG2-CE2 3.62Å; I110-F185 HydrophobicContact CG2-CZ 4.21Å; I110-V187 HydrophobicContact CG2-CG2 4.18Å |
| 111 | Q | 97.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 27.9 Ų | 27.9 | 50% | 0.5 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.4 | -46.5 | -174.8 | -176.8 | 176.6 | 15.8 | 0 | 0 | 110.8 | G109 S115 F185 | G109-Q111 PolarHBondContact O-N 2.87Å; Q111-S115 WeakPolarHBondContact O-CB 3.19Å; Q111-S115 PolarHBondContact O-N 2.92Å; Q111-S115 VanDerWaalsContact O-N 3.11Å; Q111-S115 PolarHBondContact O-OG 2.76Å; Q111-F185 HydrophobicContact CB-CE1 4.02Å; Q111-F185 HydrophobicContact CB-CZ 3.97Å; Q111-F185 HydrophobicContact CG-CE1 4.05Å; Q111-F185 HydrophobicContact CG-CZ 4.29Å |
| 112 | K | 97.9 | Very high | 98.4 | Very high | 84 Ų | 84 | 27.9 Ų | 27.9 | 37% | 0.365 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 178.3 | -168.5 | 63.3 | 170.7 | -179.4 | 0 | 110.6 | F108 A114 S115 L116 | F108-K112 HydrophobicContact CB-CB 3.64Å; F108-K112 HydrophobicContact CB-CG 3.69Å; F108-K112 HydrophobicContact CG-CG 4.14Å; K112-A114 PolarHBondContact O-N 2.77Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 PolarHBondContact O-OG 2.76Å; K112-L116 HydrophobicContact CD-CD1 4.32Å; K112-L116 HydrophobicContact CD-CG 4.37Å; K112-L116 HydrophobicContact CG-CD1 4.01Å; K112-L116 HydrophobicContact CG-CG 4.42Å; K112-L116 VanDerWaalsContact O-CG 3.28Å; K112-L116 WeakPolarHBondContact O-CG 3.43Å; K112-L116 PolarHBondContact O-N 2.68Å |
| 113 | M | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -50.6 | -59.6 | 173.3 | 178.4 | -160.7 | 86.2 | 0 | 0 | 110.9 | L101 L104 G109 I110 S115 L116 L117 F123 | L101-M113 HydrophobicContact CB-SD 3.88Å; L101-M113 HydrophobicContact CD2-CE 4.35Å; L101-M113 HydrophobicContact CG-CE 4.35Å; L101-M113 HydrophobicContact CG-SD 4.07Å; L104-M113 HydrophobicContact CB-CB 3.91Å; L104-M113 HydrophobicContact CB-CG 3.69Å; L104-M113 HydrophobicContact CD1-CG 4.22Å; G109-M113 WeakPolarHBondContact O-CB 3.5Å; G109-M113 PolarHBondContact O-N 2.8Å; I110-M113 HydrophobicContact CD1-CE 3.49Å; I110-M113 VanDerWaalsContact CD1-CE 3.49Å; I110-M113 HydrophobicContact CD1-SD 4.35Å; I110-M113 PolarHBondContact O-N 3.34Å; M113-S115 VanDerWaalsContact C-N 3.29Å; M113-S115 PolarHBondContact O-N 2.88Å; M113-L116 PolarHBondContact O-N 3.09Å; M113-L116 VanDerWaalsContact O-N 3.08Å; M113-L117 WeakPolarHBondContact O-CG 3.42Å; M113-F123 HydrophobicContact CE-CD1 4.34Å; M113-F123 HydrophobicContact CE-CE1 3.6Å; M113-F123 HydrophobicContact CE-CE2 3.9Å; M113-F123 HydrophobicContact CE-CZ 3.36Å |
| 114 | A | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -39.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I110 K112 L116 F204 | I110-A114 WeakPolarHBondContact O-CB 3.5Å; I110-A114 PolarHBondContact O-N 3.49Å; K112-A114 PolarHBondContact O-N 2.77Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 2.87Å; A114-F204 HydrophobicContact CB-CB 4.04Å; A114-F204 HydrophobicContact CB-CD1 3.79Å; A114-F204 HydrophobicContact CB-CD2 3.97Å; A114-F204 HydrophobicContact CB-CE1 4.22Å; A114-F204 HydrophobicContact CB-CE2 4.39Å; A114-F204 HydrophobicContact CB-CG 3.66Å; A114-F204 WeakPolarHBondContact O-CD2 3.34Å; A114-F204 WeakPolarHBondContact O-CE2 3.31Å |
| 115 | S | 97.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.3 | -20.9 | 178.9 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | Q111 K112 M113 | Q111-S115 WeakPolarHBondContact O-CB 3.19Å; Q111-S115 PolarHBondContact O-N 2.92Å; Q111-S115 VanDerWaalsContact O-N 3.11Å; Q111-S115 PolarHBondContact O-OG 2.76Å; K112-S115 PolarHBondContact O-N 2.99Å; K112-S115 PolarHBondContact O-OG 2.76Å; M113-S115 VanDerWaalsContact C-N 3.29Å; M113-S115 PolarHBondContact O-N 2.88Å |
| 116 | L | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -95.5 | -6.1 | -175.4 | -69.6 | -176.5 | 0 | 0 | 0 | 114 | N80 F88 L104 K112 M113 A114 D118 A212 H213 Y216 | N80-L116 PolarHBondContact ND2-O 3.14Å; F88-L116 HydrophobicContact CE2-CD1 4.28Å; F88-L116 HydrophobicContact CZ-CD1 4.34Å; L104-L116 HydrophobicContact CD1-CB 4.44Å; L104-L116 HydrophobicContact CD2-CD1 3.98Å; K112-L116 HydrophobicContact CD-CD1 4.32Å; K112-L116 HydrophobicContact CD-CG 4.37Å; K112-L116 HydrophobicContact CG-CD1 4.01Å; K112-L116 HydrophobicContact CG-CG 4.42Å; K112-L116 VanDerWaalsContact O-CG 3.28Å; K112-L116 WeakPolarHBondContact O-CG 3.43Å; K112-L116 PolarHBondContact O-N 2.68Å; M113-L116 PolarHBondContact O-N 3.09Å; M113-L116 VanDerWaalsContact O-N 3.08Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 2.87Å; L116-D118 PolarHBondContact O-N 3.44Å; L116-A212 HydrophobicContact CD2-CB 4.49Å; L116-H213 VanDerWaalsContact O-CB 3.27Å; L116-H213 WeakPolarHBondContact O-CB 3.49Å; L116-Y216 HydrophobicContact CD2-CD2 4.05Å; L116-Y216 HydrophobicContact CD2-CE2 3.48Å; L116-Y216 VanDerWaalsContact CD2-CE2 3.48Å |
| 117 | L | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -80.6 | 112.8 | -178.1 | -56.6 | -179.3 | 0 | 0 | 0 | 110.4 | I78 V100 L101 L104 M113 G119 F121 H213 | I78-L117 HydrophobicContact CD1-CB 4.35Å; I78-L117 HydrophobicContact CD1-CD1 4.22Å; I78-L117 HydrophobicContact CD1-CD2 4.4Å; I78-L117 HydrophobicContact CG2-CB 4.5Å; I78-L117 HydrophobicContact CG2-CD2 3.95Å; V100-L117 HydrophobicContact CG1-CD2 4.2Å; L101-L117 HydrophobicContact CD1-CD1 4Å; L101-L117 HydrophobicContact CD1-CD2 3.79Å; L101-L117 HydrophobicContact CD2-CD1 4.28Å; L101-L117 HydrophobicContact CG-CD1 3.99Å; L101-L117 HydrophobicContact CG-CD2 4.24Å; L104-L117 HydrophobicContact CD1-CD2 3.78Å; M113-L117 WeakPolarHBondContact O-CG 3.42Å; L117-G119 PolarHBondContact O-N 3.44Å; L117-F121 HydrophobicContact CB-CD1 4.16Å; L117-F121 HydrophobicContact CB-CE1 3.47Å; L117-F121 VanDerWaalsContact CB-CE1 3.47Å; L117-F121 HydrophobicContact CB-CZ 4.04Å; L117-F121 HydrophobicContact CD1-CD1 4Å; L117-F121 HydrophobicContact CD1-CD2 4.39Å; L117-F121 HydrophobicContact CD1-CE1 3.65Å; L117-F121 HydrophobicContact CD1-CE2 4.06Å; L117-F121 HydrophobicContact CD1-CG 4.36Å; L117-F121 HydrophobicContact CD1-CZ 3.67Å; L117-F121 HydrophobicContact CG-CE1 4.19Å; L117-F121 HydrophobicContact CG-CZ 4.42Å; L117-H213 PolarHBondContact O-CD2 2.77Å | ||
| 118 | D | 98.1 | Very high | 98.4 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -91.5 | 94 | 164.9 | -169.5 | 21.4 | 0 | 0 | 0 | 108.9 | Y79 N80 L116 H213 K245 H423 | Y79-D118 WeakPolarHBondContact CB-O 3.49Å; Y79-D118 PolarHBondContact N-O 2.85Å; N80-D118 HydrophobicContact CB-CB 3.77Å; N80-D118 VanDerWaalsContact CG-CB 3.41Å; N80-D118 PolarHBondContact N-O 3.37Å; N80-D118 PolarHBondContact ND2-N 3.27Å; N80-D118 PolarHBondContact OD1-N 3.08Å; L116-D118 PolarHBondContact O-N 3.44Å; D118-H213 VanDerWaalsContact CB-CE1 3.43Å; D118-H213 WeakPolarHBondContact CB-CE1 3.47Å; D118-H213 IonicContact OD1-CE1 3.88Å; D118-H213 PolarHBondContact OD1-CE1 3.19Å; D118-H213 VanDerWaalsContact OD1-CE1 3.23Å; D118-H213 IonicContact OD1-NE2 2.8Å; D118-H213 PolarHBondContact OD1-NE2 3.49Å; D118-H213 IonicContact OD2-CE1 3.95Å; D118-K245 WeakPolarHBondContact OD2-CD 3.22Å; D118-K245 IonicContact OD2-NZ 2.7Å; D118-K245 PolarHBondContact OD2-NZ 3.22Å; D118-H423 IonicContact OD1-CG 3.96Å; D118-H423 IonicContact OD1-ND1 3.04Å; D118-H423 PolarHBondContact OD1-ND1 2.97Å | ||
| 119 | G | 97.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -177.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E77 L117 H423 | E77-G119 CarbonylContact O-C 3.47Å; E77-G119 WeakPolarHBondContact O-CA 3.32Å; L117-G119 PolarHBondContact O-N 3.44Å; G119-H423 PolarHBondContact O-CE1 3.21Å |
| 120 | V | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 21 Ų | 21 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.5 | 171.4 | -64.4 | 0 | 0 | 0 | 0 | 107.4 | G76 E77 V142 R143 | G76-V120 CarbonylContact C-O 3.6Å; G76-V120 WeakPolarHBondContact CA-O 3.13Å; E77-V120 HydrophobicContact CB-CG2 4.44Å; E77-V120 PolarHBondContact N-O 3.26Å; E77-V120 PolarHBondContact O-N 3.28Å; V120-V142 HydrophobicContact CB-CB 3.86Å; V120-V142 HydrophobicContact CB-CG1 3.99Å; V120-V142 HydrophobicContact CG1-CB 3.6Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.8Å; V120-V142 HydrophobicContact CG2-CG1 4.4Å; V120-R143 HydrophobicContact CB-CG 4.09Å; V120-R143 HydrophobicContact CG2-CG 4.12Å |
| 121 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 146.6 | -170.2 | 56.5 | -95.3 | 0 | 0 | 0 | 112.7 | N75 I78 L117 F123 R137 D138 F204 | N75-F121 CarbonylContact O-C 3.58Å; N75-F121 WeakPolarHBondContact O-CA 3.22Å; I78-F121 HydrophobicContact CD1-CB 4.14Å; I78-F121 HydrophobicContact CD1-CD1 3.75Å; I78-F121 HydrophobicContact CD1-CG 4.23Å; L117-F121 HydrophobicContact CB-CD1 4.16Å; L117-F121 HydrophobicContact CB-CE1 3.47Å; L117-F121 VanDerWaalsContact CB-CE1 3.47Å; L117-F121 HydrophobicContact CB-CZ 4.04Å; L117-F121 HydrophobicContact CD1-CD1 4Å; L117-F121 HydrophobicContact CD1-CD2 4.39Å; L117-F121 HydrophobicContact CD1-CE1 3.65Å; L117-F121 HydrophobicContact CD1-CE2 4.06Å; L117-F121 HydrophobicContact CD1-CG 4.36Å; L117-F121 HydrophobicContact CD1-CZ 3.67Å; L117-F121 HydrophobicContact CG-CE1 4.19Å; L117-F121 HydrophobicContact CG-CZ 4.42Å; F121-F123 AromaticContact CD2-CD1 3.67Å; F121-F123 HydrophobicContact CD2-CD1 3.67Å; F121-F123 HydrophobicContact CD2-CE1 4.04Å; F121-F123 AromaticContact CE2-CD1 3.99Å; F121-F123 HydrophobicContact CE2-CD1 3.99Å; F121-F123 AromaticContact CE2-CE1 3.86Å; F121-F123 HydrophobicContact CE2-CE1 3.86Å; F121-R137 CarbonylContact O-C 3.51Å; F121-R137 WeakPolarHBondContact O-CA 3.25Å; F121-D138 HydrophobicContact CD1-CB 4.02Å; F121-D138 HydrophobicContact CD2-CB 4.41Å; F121-D138 HydrophobicContact CE1-CB 4.03Å; F121-D138 HydrophobicContact CE2-CB 4.44Å; F121-D138 HydrophobicContact CG-CB 4.21Å; F121-D138 HydrophobicContact CZ-CB 4.26Å; F121-D138 PolarHBondContact N-OD2 3.15Å; F121-D138 PolarHBondContact O-N 3.35Å; F121-F204 HydrophobicContact CE2-CZ 4.11Å; F121-F204 HydrophobicContact CZ-CE2 4.19Å; F121-F204 AromaticContact CZ-CZ 3.72Å; F121-F204 HydrophobicContact CZ-CZ 3.72Å |
| 122 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107 | I4 Y74 N75 G136 R143 P144 L145 | I4-A122 HydrophobicContact CD1-CB 4.26Å; Y74-A122 CarbonylContact C-O 3.4Å; Y74-A122 WeakPolarHBondContact CA-O 3.4Å; Y74-A122 WeakPolarHBondContact CB-O 3.27Å; N75-A122 PolarHBondContact N-O 3.06Å; N75-A122 PolarHBondContact O-N 3.33Å; A122-G136 CarbonylContact C-O 3.55Å; A122-G136 WeakPolarHBondContact CA-O 3.41Å; A122-R143 HydrophobicContact CB-CB 4.19Å; A122-P144 WeakPolarHBondContact CB-O 3.47Å; A122-L145 HydrophobicContact CB-CB 3.88Å; A122-L145 HydrophobicContact CB-CD1 4.22Å; A122-L145 HydrophobicContact CB-CD2 4.36Å; A122-L145 HydrophobicContact CB-CG 4.4Å |
| 123 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.9 | -179.1 | 71.5 | -104.5 | 0 | 0 | 0 | 113.3 | L72 C73 L101 I110 M113 F121 L125 L135 G136 | L72-F123 HydrophobicContact CD1-CB 4.03Å; C73-F123 CarbonylContact O-C 3.46Å; C73-F123 VanDerWaalsContact O-CA 3.32Å; C73-F123 WeakPolarHBondContact O-CA 3.44Å; L101-F123 HydrophobicContact CD2-CB 4.1Å; L101-F123 HydrophobicContact CD2-CD1 3.93Å; L101-F123 HydrophobicContact CD2-CG 4.05Å; I110-F123 HydrophobicContact CD1-CE2 3.87Å; I110-F123 HydrophobicContact CD1-CZ 3.81Å; M113-F123 HydrophobicContact CE-CD1 4.34Å; M113-F123 HydrophobicContact CE-CE1 3.6Å; M113-F123 HydrophobicContact CE-CE2 3.9Å; M113-F123 HydrophobicContact CE-CZ 3.36Å; F121-F123 AromaticContact CD2-CD1 3.67Å; F121-F123 HydrophobicContact CD2-CD1 3.67Å; F121-F123 HydrophobicContact CD2-CE1 4.04Å; F121-F123 AromaticContact CE2-CD1 3.99Å; F121-F123 HydrophobicContact CE2-CD1 3.99Å; F121-F123 AromaticContact CE2-CE1 3.86Å; F121-F123 HydrophobicContact CE2-CE1 3.86Å; F123-L125 HydrophobicContact CD2-CB 4.24Å; F123-L135 WeakPolarHBondContact O-CA 3.42Å; F123-G136 PolarHBondContact N-O 3.16Å; F123-G136 PolarHBondContact O-N 3.13Å |
| 124 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 114.8 | 168.5 | -51.9 | 164.7 | 0 | 0 | 0 | 105.7 | I4 A6 F8 F45 C73 Y134 L135 V157 | I4-I124 HydrophobicContact CB-CD1 4.42Å; I4-I124 HydrophobicContact CD1-CD1 3.95Å; I4-I124 HydrophobicContact CD1-CG1 3.95Å; I4-I124 HydrophobicContact CG1-CD1 4.09Å; A6-I124 HydrophobicContact CB-CD1 3.72Å; A6-I124 HydrophobicContact CB-CG2 4.3Å; F8-I124 HydrophobicContact CE2-CG2 4Å; F8-I124 HydrophobicContact CZ-CG2 3.85Å; F45-I124 HydrophobicContact CE1-CB 4.17Å; F45-I124 HydrophobicContact CE1-CG2 3.68Å; F45-I124 HydrophobicContact CZ-CG2 4.35Å; C73-I124 PolarHBondContact N-O 3.19Å; C73-I124 PolarHBondContact O-N 3.27Å; I124-Y134 CarbonylContact C-O 3.54Å; I124-Y134 WeakPolarHBondContact CA-O 3.29Å; I124-L135 HydrophobicContact CB-CD2 4.19Å; I124-L135 HydrophobicContact CG1-CD2 3.86Å; I124-L135 HydrophobicContact CG2-CD2 3.89Å; I124-V157 HydrophobicContact CD1-CB 3.87Å; I124-V157 HydrophobicContact CD1-CG1 3.71Å; I124-V157 HydrophobicContact CG1-CB 4.41Å; I124-V157 HydrophobicContact CG1-CG1 3.94Å |
| 125 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.1 | 176.7 | 172.1 | 69.7 | 0 | 0 | 0 | 109 | L70 W71 L72 L102 Y105 F123 V133 Y134 | L70-L125 HydrophobicContact CB-CD1 4.46Å; W71-L125 CarbonylContact O-C 3.55Å; W71-L125 WeakPolarHBondContact O-CA 3.33Å; L72-L125 HydrophobicContact CB-CD1 4.24Å; L72-L125 HydrophobicContact CD1-CB 4.27Å; L102-L125 HydrophobicContact CD2-CD1 3.78Å; Y105-L125 HydrophobicContact CD1-CD2 3.92Å; Y105-L125 HydrophobicContact CD2-CD2 3.56Å; Y105-L125 HydrophobicContact CE1-CD2 4.34Å; Y105-L125 HydrophobicContact CE2-CD2 4.03Å; Y105-L125 HydrophobicContact CG-CD2 3.5Å; F123-L125 HydrophobicContact CD2-CB 4.24Å; L125-V133 CarbonylContact O-C 3.04Å; L125-V133 WeakPolarHBondContact O-CA 3.36Å; L125-Y134 HydrophobicContact CB-CD2 4.35Å; L125-Y134 HydrophobicContact CD2-CD2 4.03Å; L125-Y134 HydrophobicContact CG-CD2 4.1Å; L125-Y134 PolarHBondContact N-O 3.42Å; L125-Y134 PolarHBondContact O-N 3.03Å |
| 126 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.1 | 173.1 | 162.1 | 70.3 | 0 | 0 | 0 | 109.3 | F8 V37 F45 L70 W71 T128 V133 L190 | F8-L126 HydrophobicContact CE1-CB 4.32Å; F8-L126 HydrophobicContact CE1-CD1 4.29Å; F8-L126 HydrophobicContact CE1-CD2 4.32Å; V37-L126 HydrophobicContact CB-CD2 4.28Å; V37-L126 HydrophobicContact CG1-CD2 3.77Å; V37-L126 HydrophobicContact CG2-CD2 3.54Å; F45-L126 HydrophobicContact CE2-CB 4.37Å; F45-L126 HydrophobicContact CE2-CD2 3.92Å; F45-L126 HydrophobicContact CZ-CB 3.86Å; F45-L126 HydrophobicContact CZ-CD2 4.23Å; L70-L126 WeakPolarHBondContact CA-O 3.4Å; W71-L126 HydrophobicContact CB-CB 4.18Å; W71-L126 HydrophobicContact CB-CD2 4.39Å; W71-L126 HydrophobicContact CG-CD2 4.22Å; W71-L126 PolarHBondContact N-O 3.18Å; W71-L126 PolarHBondContact O-N 2.92Å; L126-T128 HydrophobicContact CD1-CG2 4.05Å; L126-T128 HydrophobicContact CD2-CG2 3.87Å; L126-T128 HydrophobicContact CG-CG2 3.9Å; L126-V133 HydrophobicContact CD1-CG2 3.95Å; L126-L190 HydrophobicContact CD1-CD2 3.69Å |
| 127 | D | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.6 | 168 | -177.2 | -21.6 | 0 | 0 | 0 | 109.1 | L70 Y105 A129 N130 R131 K132 Y134 | L70-D127 HydrophobicContact CD2-CB 3.57Å; L70-D127 VanDerWaalsContact CD2-CG 3.5Å; Y105-D127 HydrophobicContact CE1-CB 4.21Å; Y105-D127 WeakPolarHBondContact CE1-OD2 3.46Å; Y105-D127 PolarHBondContact OH-OD2 2.61Å; D127-A129 WeakPolarHBondContact OD1-CA 3.43Å; D127-A129 WeakPolarHBondContact OD1-CB 3.25Å; D127-A129 PolarHBondContact OD1-N 3.32Å; D127-N130 PolarHBondContact OD1-N 3.25Å; D127-N130 PolarHBondContact OD2-ND2 2.81Å; D127-R131 CarbonylContact O-C 3.45Å; D127-R131 VanDerWaalsContact O-CA 3.26Å; D127-R131 WeakPolarHBondContact O-CA 3.37Å; D127-R131 PolarHBondContact O-N 2.95Å; D127-K132 PolarHBondContact N-O 3.08Å; D127-K132 PolarHBondContact O-N 3.35Å; D127-Y134 HydrophobicContact CB-CE2 4.37Å |
| 128 | T | 98.5 | Very high | 98.7 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 16% | 0.16 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -20.8 | -180 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | V37 F40 Y69 L126 | V37-T128 HydrophobicContact CG1-CG2 3.8Å; F40-T128 HydrophobicContact CD2-CG2 4.25Å; F40-T128 HydrophobicContact CE2-CG2 4.35Å; Y69-T128 WeakPolarHBondContact CB-OG1 3.42Å; Y69-T128 PolarHBondContact O-N 3.46Å; Y69-T128 PolarHBondContact O-OG1 3.33Å; L126-T128 HydrophobicContact CD1-CG2 4.05Å; L126-T128 HydrophobicContact CD2-CG2 3.87Å; L126-T128 HydrophobicContact CG-CG2 3.9Å |
| 129 | A | 98 | Very high | 98.7 | Very high | 59 Ų | 59 | 19.7 Ų | 19.7 | 49% | 0.488 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y69 D127 R131 | Y69-A129 HydrophobicContact CD2-CB 3.87Å; Y69-A129 HydrophobicContact CG-CB 3.82Å; D127-A129 WeakPolarHBondContact OD1-CA 3.43Å; D127-A129 WeakPolarHBondContact OD1-CB 3.25Å; D127-A129 PolarHBondContact OD1-N 3.32Å; A129-R131 VanDerWaalsContact C-N 3.33Å |
| 130 | N | 98.3 | Very high | 98.7 | Very high | 104 Ų | 104 | 19.9 Ų | 19.9 | 56% | 0.556 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.6 | 176.9 | -66.6 | -51.1 | 0 | 0 | 0 | 113.2 | D127 K132 | D127-N130 PolarHBondContact OD1-N 3.25Å; D127-N130 PolarHBondContact OD2-ND2 2.81Å; N130-K132 HydrophobicContact CB-CG 4.24Å |
| 131 | R | 98.4 | Very high | 98.7 | Very high | 120 Ų | 120 | 19.5 Ų | 19.5 | 45% | 0.453 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 58.6 | -176.5 | -62.9 | -173.2 | -63.6 | -178.1 | 0.3 | 111.6 | D127 A129 L190 | D127-R131 CarbonylContact O-C 3.45Å; D127-R131 VanDerWaalsContact O-CA 3.26Å; D127-R131 WeakPolarHBondContact O-CA 3.37Å; D127-R131 PolarHBondContact O-N 2.95Å; A129-R131 VanDerWaalsContact C-N 3.33Å; R131-L190 HydrophobicContact CB-CB 4.11Å; R131-L190 WeakPolarHBondContact CB-O 3.47Å; R131-L190 PolarHBondContact O-N 3.42Å |
| 132 | K | 98.8 | Very high | 98.7 | Very high | 50 Ų | 50 | 19.5 Ų | 19.5 | 22% | 0.217 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.7 | -179.5 | -64.1 | -68.1 | -173.2 | 169 | 0 | 111.5 | D127 N130 Y134 V187 F188 D189 | D127-K132 PolarHBondContact N-O 3.08Å; D127-K132 PolarHBondContact O-N 3.35Å; N130-K132 HydrophobicContact CB-CG 4.24Å; K132-Y134 HydrophobicContact CB-CD2 4.3Å; K132-Y134 HydrophobicContact CB-CE1 4.33Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 VanDerWaalsContact CB-CE2 3.4Å; K132-Y134 VanDerWaalsContact CB-CZ 3.43Å; K132-Y134 WeakPolarHBondContact CB-OH 3.29Å; K132-Y134 HydrophobicContact CG-CE2 4.41Å; K132-Y134 WeakPolarHBondContact CG-OH 3.25Å; K132-V187 HydrophobicContact CD-CG1 3.99Å; K132-F188 VanDerWaalsContact CA-O 3.28Å; K132-F188 WeakPolarHBondContact CA-O 3.22Å; K132-F188 WeakPolarHBondContact CD-O 3.09Å; K132-D189 WeakPolarHBondContact CE-OD1 3.41Å; K132-D189 IonicContact NZ-OD1 3.79Å; K132-D189 PolarHBondContact NZ-OD1 3.23Å |
| 133 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.5 | 166.7 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | F8 L125 L126 L155 F188 L190 V196 | F8-V133 HydrophobicContact CD1-CG2 3.62Å; F8-V133 HydrophobicContact CD2-CG1 4.31Å; F8-V133 HydrophobicContact CE1-CB 4.43Å; F8-V133 HydrophobicContact CE1-CG1 4Å; F8-V133 HydrophobicContact CE1-CG2 3.5Å; F8-V133 HydrophobicContact CE2-CG1 3.77Å; F8-V133 HydrophobicContact CG-CG2 4.23Å; F8-V133 HydrophobicContact CZ-CB 4.49Å; F8-V133 HydrophobicContact CZ-CG1 3.59Å; F8-V133 HydrophobicContact CZ-CG2 4.02Å; L125-V133 CarbonylContact O-C 3.04Å; L125-V133 WeakPolarHBondContact O-CA 3.36Å; L126-V133 HydrophobicContact CD1-CG2 3.95Å; V133-L155 HydrophobicContact CG1-CD2 4.43Å; V133-F188 HydrophobicContact CB-CB 4.23Å; V133-F188 HydrophobicContact CB-CD2 4.5Å; V133-F188 PolarHBondContact N-O 3.11Å; V133-F188 PolarHBondContact O-N 3.25Å; V133-L190 HydrophobicContact CG2-CB 4.49Å; V133-L190 HydrophobicContact CG2-CD1 4.48Å; V133-V196 HydrophobicContact CG2-CG1 4.1Å |
| 134 | Y | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 19.5 Ų | 19.5 | 8% | 0.078 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.1 | -180 | -53.4 | -88.4 | 0 | 0 | 0 | 110.2 | Y105 I110 I124 L125 D127 K132 E186 V187 | Y105-Y134 HydrophobicContact CE2-CD2 4.07Å; Y105-Y134 HydrophobicContact CE2-CE1 4.19Å; Y105-Y134 AromaticContact CE2-CE2 3.43Å; Y105-Y134 HydrophobicContact CE2-CE2 3.43Å; Y105-Y134 VanDerWaalsContact CE2-CE2 3.43Å; Y105-Y134 AromaticContact CE2-CZ 3.49Å; Y105-Y134 VanDerWaalsContact CE2-CZ 3.49Å; Y105-Y134 AromaticContact CZ-CE2 3.51Å; Y105-Y134 AromaticContact CZ-CZ 3.8Å; Y105-Y134 WeakPolarHBondContact OH-CE2 3.39Å; Y105-Y134 VanDerWaalsContact OH-CZ 3.31Å; Y105-Y134 PolarHBondContact OH-OH 3Å; I110-Y134 HydrophobicContact CB-CD1 3.75Å; I110-Y134 HydrophobicContact CB-CE1 3.84Å; I110-Y134 HydrophobicContact CD1-CD1 3.82Å; I110-Y134 HydrophobicContact CD1-CG 3.82Å; I110-Y134 HydrophobicContact CG1-CD1 3.58Å; I110-Y134 HydrophobicContact CG1-CE1 4.21Å; I110-Y134 HydrophobicContact CG1-CG 4.12Å; I110-Y134 HydrophobicContact CG2-CD1 4Å; I110-Y134 HydrophobicContact CG2-CE1 3.85Å; I124-Y134 CarbonylContact C-O 3.54Å; I124-Y134 WeakPolarHBondContact CA-O 3.29Å; L125-Y134 HydrophobicContact CB-CD2 4.35Å; L125-Y134 HydrophobicContact CD2-CD2 4.03Å; L125-Y134 HydrophobicContact CG-CD2 4.1Å; L125-Y134 PolarHBondContact N-O 3.42Å; L125-Y134 PolarHBondContact O-N 3.03Å; D127-Y134 HydrophobicContact CB-CE2 4.37Å; K132-Y134 HydrophobicContact CB-CD2 4.3Å; K132-Y134 HydrophobicContact CB-CE1 4.33Å; K132-Y134 HydrophobicContact CB-CE2 3.4Å; K132-Y134 VanDerWaalsContact CB-CE2 3.4Å; K132-Y134 VanDerWaalsContact CB-CZ 3.43Å; K132-Y134 WeakPolarHBondContact CB-OH 3.29Å; K132-Y134 HydrophobicContact CG-CE2 4.41Å; K132-Y134 WeakPolarHBondContact CG-OH 3.25Å; Y134-E186 VanDerWaalsContact CA-O 3.3Å; Y134-E186 WeakPolarHBondContact CA-O 3.26Å; Y134-V187 HydrophobicContact CD1-CB 4.25Å; Y134-V187 HydrophobicContact CD1-CG1 3.98Å; Y134-V187 HydrophobicContact CD1-CG2 3.83Å; Y134-V187 HydrophobicContact CE1-CB 4.24Å; Y134-V187 HydrophobicContact CE1-CG1 3.57Å; Y134-V187 HydrophobicContact CE1-CG2 3.87Å |
| 135 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.2 | 169.6 | -53.7 | -176.7 | 0 | 0 | 0 | 108.6 | F123 I124 L145 K147 L155 V157 F180 F185 E186 F188 | F123-L135 WeakPolarHBondContact O-CA 3.42Å; I124-L135 HydrophobicContact CB-CD2 4.19Å; I124-L135 HydrophobicContact CG1-CD2 3.86Å; I124-L135 HydrophobicContact CG2-CD2 3.89Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L135-K147 HydrophobicContact CD1-CB 4.48Å; L135-L155 HydrophobicContact CD1-CD2 4.5Å; L135-V157 HydrophobicContact CD1-CG1 4.42Å; L135-V157 HydrophobicContact CD1-CG2 3.8Å; L135-V157 HydrophobicContact CD2-CG1 4.12Å; L135-V157 HydrophobicContact CD2-CG2 3.9Å; L135-F180 HydrophobicContact CB-CD2 4.13Å; L135-F180 HydrophobicContact CB-CE2 3.5Å; L135-F180 HydrophobicContact CB-CZ 3.82Å; L135-F180 HydrophobicContact CD1-CD2 4.14Å; L135-F180 HydrophobicContact CD1-CE2 4.01Å; L135-F180 HydrophobicContact CG-CE2 4.39Å; L135-F185 CarbonylContact O-C 3.52Å; L135-F185 WeakPolarHBondContact O-CA 3.28Å; L135-F185 VanDerWaalsContact O-CB 3.3Å; L135-F185 WeakPolarHBondContact O-CB 3.45Å; L135-E186 HydrophobicContact CB-CB 4.45Å; L135-E186 PolarHBondContact N-O 3.23Å; L135-E186 PolarHBondContact O-N 3.02Å; L135-F188 HydrophobicContact CD1-CE2 3.7Å; L135-F188 HydrophobicContact CD1-CZ 4.07Å; L135-F188 HydrophobicContact CG-CE2 3.83Å |
| 136 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 151.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | A122 F123 Y184 | A122-G136 CarbonylContact C-O 3.55Å; A122-G136 WeakPolarHBondContact CA-O 3.41Å; F123-G136 PolarHBondContact N-O 3.16Å; F123-G136 PolarHBondContact O-N 3.13Å; G136-Y184 WeakPolarHBondContact CA-O 3.22Å |
| 137 | R | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.3 | -176.9 | -167.9 | 178.4 | -177.8 | -172.3 | -7.4 | 111 | F121 G141 R143 F180 G183 Y184 F204 | F121-R137 CarbonylContact O-C 3.51Å; F121-R137 WeakPolarHBondContact O-CA 3.25Å; R137-G141 PolarHBondContact NH2-O 3.41Å; R137-R143 WeakPolarHBondContact CG-O 3.15Å; R137-R143 PolarHBondContact NE-O 2.96Å; R137-F180 HydrophobicContact CB-CD1 3.73Å; R137-F180 HydrophobicContact CB-CE1 4.17Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 3.39Å; R137-G183 PolarHBondContact O-N 3.21Å; R137-Y184 PolarHBondContact N-O 3.32Å; R137-F204 VanDerWaalsContact O-CE1 3.25Å; R137-F204 WeakPolarHBondContact O-CE1 3.49Å; R137-F204 WeakPolarHBondContact O-CZ 3.48Å |
| 138 | D | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -58.8 | 162.9 | -177.8 | 69.5 | 76.5 | 0 | 0 | 0 | 113.6 | F121 Y140 G141 V142 R143 P182 G183 | F121-D138 HydrophobicContact CD1-CB 4.02Å; F121-D138 HydrophobicContact CD2-CB 4.41Å; F121-D138 HydrophobicContact CE1-CB 4.03Å; F121-D138 HydrophobicContact CE2-CB 4.44Å; F121-D138 HydrophobicContact CG-CB 4.21Å; F121-D138 HydrophobicContact CZ-CB 4.26Å; F121-D138 PolarHBondContact N-OD2 3.15Å; F121-D138 PolarHBondContact O-N 3.35Å; D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 3.43Å; D138-Y140 PolarHBondContact OD1-N 2.86Å; D138-G141 PolarHBondContact O-N 3.36Å; D138-G141 VanDerWaalsContact O-N 3.14Å; D138-G141 WeakPolarHBondContact OD1-CA 3.47Å; D138-G141 PolarHBondContact OD1-N 2.89Å; D138-V142 PolarHBondContact OD1-N 2.98Å; D138-V142 PolarHBondContact OD2-N 3.1Å; D138-R143 PolarHBondContact OD2-N 3.42Å; D138-P182 CarbonylContact O-C 3.42Å; D138-P182 WeakPolarHBondContact O-CA 3.47Å; D138-P182 WeakPolarHBondContact O-CB 3.09Å; D138-G183 PolarHBondContact O-N 2.81Å | ||
| 139 | T | 98.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 8% | 0.08 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -43.7 | -171.4 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | P182 H205 H423 | T139-P182 WeakPolarHBondContact O-CB 3.35Å; T139-H205 WeakPolarHBondContact CG2-ND1 3.38Å; T139-H205 PolarHBondContact OG1-ND1 2.94Å; T139-H423 WeakPolarHBondContact CB-NE2 3.25Å; T139-H423 PolarHBondContact OG1-CD2 3.48Å; T139-H423 PolarHBondContact OG1-NE2 3.07Å |
| 140 | Y | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -1.6 | -173.3 | -60.7 | -75.6 | 0 | 0 | 0 | 112.2 | D138 V142 C207 L394 L397 L421 T426 | D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 3.43Å; D138-Y140 PolarHBondContact OD1-N 2.86Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; Y140-C207 HydrophobicContact CD1-CB 4.5Å; Y140-C207 HydrophobicContact CE1-CB 3.45Å; Y140-C207 VanDerWaalsContact CE1-CB 3.45Å; Y140-C207 WeakPolarHBondContact OH-CB 3.44Å; Y140-L394 HydrophobicContact CD1-CD2 4.48Å; Y140-L394 HydrophobicContact CE1-CB 4.25Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; Y140-L397 HydrophobicContact CD1-CD1 4.42Å; Y140-L421 HydrophobicContact CD1-CD2 4.33Å; Y140-L421 HydrophobicContact CD2-CB 4.04Å; Y140-L421 HydrophobicContact CE2-CB 4.46Å; Y140-L421 WeakPolarHBondContact CE2-O 3.45Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.32Å; Y140-T426 HydrophobicContact CE2-CG2 4.27Å; Y140-T426 WeakPolarHBondContact OH-CB 3.46Å; Y140-T426 WeakPolarHBondContact OH-CG2 3.42Å; Y140-T426 PolarHBondContact OH-OG1 3.08Å |
| 141 | G | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | 72.2 | 29 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R137 D138 R143 V402 | R137-G141 PolarHBondContact NH2-O 3.41Å; D138-G141 PolarHBondContact O-N 3.36Å; D138-G141 VanDerWaalsContact O-N 3.14Å; D138-G141 WeakPolarHBondContact OD1-CA 3.47Å; D138-G141 PolarHBondContact OD1-N 2.89Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 3.16Å; G141-V402 WeakPolarHBondContact O-CG1 3.4Å | ||
| 142 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | trans | -57.6 | -42.1 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | V120 D138 Y140 V402 V418 L421 | V120-V142 HydrophobicContact CB-CB 3.86Å; V120-V142 HydrophobicContact CB-CG1 3.99Å; V120-V142 HydrophobicContact CG1-CB 3.6Å; V120-V142 HydrophobicContact CG1-CG1 3.76Å; V120-V142 HydrophobicContact CG1-CG2 3.8Å; V120-V142 HydrophobicContact CG2-CG1 4.4Å; D138-V142 PolarHBondContact OD1-N 2.98Å; D138-V142 PolarHBondContact OD2-N 3.1Å; Y140-V142 VanDerWaalsContact C-N 3.33Å; V142-V402 VanDerWaalsContact CA-CG1 3.45Å; V142-V402 HydrophobicContact CB-CG1 4.47Å; V142-V418 HydrophobicContact CG1-CG2 3.91Å; V142-V418 HydrophobicContact CG2-CG2 4.13Å; V142-L421 HydrophobicContact CG2-CD1 3.95Å | ||
| 143 | R | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -96.9 | 135 | 169.9 | -62.3 | -66.2 | -172.6 | -99.6 | 0.2 | 109.6 | M1 N75 V120 A122 R137 D138 G141 E415 L416 | M1-R143 PolarHBondContact SD-NH1 2.81Å; N75-R143 WeakPolarHBondContact O-CB 3.23Å; N75-R143 VanDerWaalsContact O-CG 3.31Å; N75-R143 WeakPolarHBondContact O-CG 3.5Å; V120-R143 HydrophobicContact CB-CG 4.09Å; V120-R143 HydrophobicContact CG2-CG 4.12Å; A122-R143 HydrophobicContact CB-CB 4.19Å; R137-R143 WeakPolarHBondContact CG-O 3.15Å; R137-R143 PolarHBondContact NE-O 2.96Å; D138-R143 PolarHBondContact OD2-N 3.42Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 3.16Å; R143-E415 VanDerWaalsContact NH2-CG 3.32Å; R143-E415 IonicContact NH2-OE2 2.62Å; R143-E415 PolarHBondContact NH2-OE2 3.28Å; R143-L416 PolarHBondContact NH1-O 3.3Å; R143-L416 PolarHBondContact NH2-O 2.96Å |
| 144 | P | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -87.3 | 152.6 | -173.3 | 37.6 | -41.5 | 0 | 0 | 0 | 113.4 | A122 S159 D406 R407 | A122-P144 WeakPolarHBondContact CB-O 3.47Å; P144-S159 CarbonylContact C-O 3.57Å; P144-S159 WeakPolarHBondContact CB-O 3.48Å; P144-S159 VanDerWaalsContact CG-O 3.27Å; P144-S159 WeakPolarHBondContact CG-O 3.44Å; P144-D406 WeakPolarHBondContact CD-OD1 3.48Å; P144-D406 WeakPolarHBondContact CG-OD2 3.16Å; P144-R407 VanDerWaalsContact CG-NH1 3.29Å | ||
| 145 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -153.3 | 135.1 | 174.1 | -165.7 | 62.3 | 0 | 0 | 0 | 109.5 | I4 A122 L135 V157 C158 F180 | I4-L145 HydrophobicContact CD1-CD1 3.78Å; I4-L145 HydrophobicContact CG1-CD1 4.17Å; A122-L145 HydrophobicContact CB-CB 3.88Å; A122-L145 HydrophobicContact CB-CD1 4.22Å; A122-L145 HydrophobicContact CB-CD2 4.36Å; A122-L145 HydrophobicContact CB-CG 4.4Å; L135-L145 HydrophobicContact CB-CD2 4.42Å; L145-V157 HydrophobicContact CD1-CG1 3.42Å; L145-V157 VanDerWaalsContact CD1-CG1 3.42Å; L145-V157 HydrophobicContact CD2-CG1 4.36Å; L145-V157 HydrophobicContact CG-CG1 3.94Å; L145-C158 CarbonylContact C-O 3.55Å; L145-F180 HydrophobicContact CB-CB 3.93Å; L145-F180 HydrophobicContact CD2-CB 4.08Å; L145-F180 HydrophobicContact CD2-CD1 4.21Å; L145-F180 HydrophobicContact CD2-CD2 4.42Å; L145-F180 HydrophobicContact CD2-CG 3.98Å; L145-F180 HydrophobicContact CG-CB 4.03Å; L145-F180 HydrophobicContact CG-CG 4.47Å; L145-F180 WeakPolarHBondContact O-CB 3.14Å; L145-F180 PolarHBondContact O-N 2.95Å | ||
| 146 | F | 98.7 | Very high | 97.1 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149 | 173.1 | -71.6 | -100.8 | 0 | 0 | 0 | 109.1 | V157 C158 A161 L164 I177 V178 P179 | F146-V157 WeakPolarHBondContact O-CA 3.45Å; F146-V157 WeakPolarHBondContact O-CG1 3.44Å; F146-C158 PolarHBondContact N-O 3.33Å; F146-C158 PolarHBondContact O-N 3.46Å; F146-A161 HydrophobicContact CD1-CB 3.78Å; F146-A161 HydrophobicContact CD2-CB 4.3Å; F146-A161 HydrophobicContact CE1-CB 3.86Å; F146-A161 HydrophobicContact CE2-CB 4.39Å; F146-A161 HydrophobicContact CG-CB 4.01Å; F146-A161 HydrophobicContact CZ-CB 4.18Å; F146-L164 HydrophobicContact CB-CD1 3.8Å; F146-I177 HydrophobicContact CB-CG2 4.31Å; F146-I177 HydrophobicContact CD1-CG2 4.14Å; F146-V178 WeakPolarHBondContact CA-O 3.12Å; F146-P179 HydrophobicContact CD1-CB 4.24Å; F146-P179 HydrophobicContact CD1-CG 4.17Å; F146-P179 HydrophobicContact CE1-CB 3.97Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CB 4.45Å; F146-P179 HydrophobicContact CZ-CG 4.36Å |
| 147 | K | 97.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 16.6 Ų | 16.6 | 15% | 0.148 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.3 | 172.9 | 69.1 | 171.8 | -175.7 | 179.6 | 0 | 111.3 | L135 L155 A156 V157 I177 V178 F180 E186 | L135-K147 HydrophobicContact CD1-CB 4.48Å; K147-L155 HydrophobicContact CB-CD1 4.27Å; K147-A156 CarbonylContact C-O 3.36Å; K147-A156 WeakPolarHBondContact CA-O 3.13Å; K147-V157 HydrophobicContact CB-CG2 4.44Å; K147-I177 WeakPolarHBondContact O-CA 3.38Å; K147-V178 HydrophobicContact CD-CG2 4.44Å; K147-V178 HydrophobicContact CG-CG2 3.71Å; K147-V178 PolarHBondContact N-O 2.7Å; K147-V178 PolarHBondContact O-N 3.22Å; K147-F180 HydrophobicContact CD-CD2 4.29Å; K147-E186 IonicContact NZ-OE1 2.96Å; K147-E186 PolarHBondContact NZ-OE1 3.1Å; K147-E186 IonicContact NZ-OE2 3.59Å; K147-E186 PolarHBondContact NZ-OE2 3.42Å |
| 148 | F | 95.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 6% | 0.057 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.6 | 169 | 170.6 | -80.1 | 0 | 0 | 0 | 106.3 | F154 L155 A156 L164 M171 A175 I177 | F148-F154 HydrophobicContact CD1-CD1 4.14Å; F148-F154 HydrophobicContact CD1-CE1 4.03Å; F148-F154 AromaticContact CE1-CD1 3.69Å; F148-F154 HydrophobicContact CE1-CD1 3.69Å; F148-F154 AromaticContact CE1-CE1 3.71Å; F148-F154 HydrophobicContact CE1-CE1 3.71Å; F148-L155 WeakPolarHBondContact O-CA 3.42Å; F148-L155 WeakPolarHBondContact O-CD1 3.27Å; F148-A156 HydrophobicContact CB-CB 4.18Å; F148-A156 HydrophobicContact CD1-CB 4.33Å; F148-A156 PolarHBondContact N-O 3.33Å; F148-A156 PolarHBondContact O-N 2.86Å; F148-L164 HydrophobicContact CB-CD1 4.44Å; F148-M171 HydrophobicContact CE1-CE 4.16Å; F148-M171 HydrophobicContact CE1-SD 4.01Å; F148-M171 HydrophobicContact CZ-CE 3.97Å; F148-M171 HydrophobicContact CZ-SD 3.48Å; F148-M171 WeakPolarHBondContact CZ-SD 3.19Å; F148-A175 HydrophobicContact CD1-CB 4.33Å; F148-A175 HydrophobicContact CD2-CB 3.96Å; F148-A175 HydrophobicContact CE1-CB 3.93Å; F148-A175 HydrophobicContact CE2-CB 3.57Å; F148-A175 HydrophobicContact CG-CB 4.35Å; F148-A175 HydrophobicContact CZ-CB 3.58Å; F148-I177 HydrophobicContact CB-CG1 4.29Å; F148-I177 HydrophobicContact CD2-CG1 3.79Å |
| 149 | L | 95.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 16.3 Ų | 16.3 | 28% | 0.283 | 9% | 0.087 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.5 | 179.5 | -179.9 | 66.9 | 0 | 0 | 0 | 109.4 | L155 A175 F188 V196 | L149-L155 HydrophobicContact CB-CD1 4.44Å; L149-L155 HydrophobicContact CD1-CB 4.06Å; L149-L155 HydrophobicContact CD1-CD1 4.32Å; L149-A175 VanDerWaalsContact O-CB 3.23Å; L149-A175 WeakPolarHBondContact O-CB 2.94Å; L149-F188 HydrophobicContact CD1-CE1 4.4Å; L149-F188 HydrophobicContact CD2-CE1 4.16Å; L149-V196 HydrophobicContact CD1-CG2 4.01Å |
| 150 | A | 94.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 4% | 0.041 | 8% | 0.083 | C | C | . | . | trans | -82 | 155.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D152 G153 F154 M171 | A150-D152 WeakPolarHBondContact CB-OD1 3.35Å; A150-D152 PolarHBondContact O-N 3.43Å; A150-G153 PolarHBondContact O-N 3.1Å; A150-F154 HydrophobicContact CB-CB 3.83Å; A150-F154 HydrophobicContact CB-CD1 4.42Å; A150-F154 WeakPolarHBondContact CB-O 3.5Å; A150-F154 PolarHBondContact N-O 2.8Å; A150-M171 HydrophobicContact CB-CE 3.13Å; A150-M171 HydrophobicContact CB-SD 4.37Å | ||
| 151 | D | 92.2 | Very high | 97.1 | Very high | 126 Ų | 126 | 15.5 Ų | 15.5 | 67% | 0.674 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.5 | 176.8 | -65.7 | -15.6 | 0 | 0 | 0 | 112.6 | G153 T173 | D151-G153 PolarHBondContact O-N 3.48Å; D151-T173 WeakPolarHBondContact OD2-CB 3.17Å; D151-T173 PolarHBondContact OD2-OG1 2.87Å |
| 152 | D | 92.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 15.8 Ų | 15.8 | 40% | 0.396 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.6 | 176.4 | 77.9 | -25.7 | 0 | 0 | 0 | 113.6 | A150 F154 H169 K195 | A150-D152 WeakPolarHBondContact CB-OD1 3.35Å; A150-D152 PolarHBondContact O-N 3.43Å; D152-F154 WeakPolarHBondContact OD1-CB 3.31Å; D152-F154 PolarHBondContact OD1-N 3.02Å; D152-H169 IonicContact OD1-CD2 3.41Å; D152-H169 IonicContact OD1-NE2 2.84Å; D152-H169 PolarHBondContact OD1-NE2 2.63Å; D152-H169 IonicContact OD2-CE1 3.89Å; D152-H169 PolarHBondContact OD2-CE1 2.99Å; D152-H169 IonicContact OD2-NE2 3.99Å; D152-H169 PolarHBondContact OD2-NE2 3.03Å; D152-K195 WeakPolarHBondContact OD2-CE 3.26Å; D152-K195 IonicContact OD2-NZ 3.2Å; D152-K195 PolarHBondContact OD2-NZ 3.35Å |
| 153 | G | 95.2 | Very high | 97 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 6% | 0.062 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 88.2 | 11.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A150 D151 L155 K195 V196 | A150-G153 PolarHBondContact O-N 3.1Å; D151-G153 PolarHBondContact O-N 3.48Å; G153-L155 PolarHBondContact O-N 3.47Å; G153-K195 WeakPolarHBondContact O-CA 3.14Å; G153-V196 WeakPolarHBondContact CA-O 3.08Å; G153-V196 WeakPolarHBondContact O-CG2 3.32Å; G153-V196 PolarHBondContact O-N 3.44Å |
| 154 | F | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -68.3 | 122.6 | 166.1 | 169.7 | -115.2 | 0 | 0 | 0 | 110.6 | L7 F8 G9 F148 A150 D152 A156 I167 H169 K195 | L7-F154 HydrophobicContact CB-CE2 4.24Å; L7-F154 HydrophobicContact CD1-CE2 4.4Å; L7-F154 HydrophobicContact CD1-CZ 4.49Å; L7-F154 HydrophobicContact CD2-CE2 4.09Å; L7-F154 HydrophobicContact CD2-CZ 3.89Å; L7-F154 HydrophobicContact CG-CE2 4.49Å; F8-F154 WeakPolarHBondContact O-CD2 3.32Å; G9-F154 WeakPolarHBondContact O-CD2 3.37Å; F148-F154 HydrophobicContact CD1-CD1 4.14Å; F148-F154 HydrophobicContact CD1-CE1 4.03Å; F148-F154 AromaticContact CE1-CD1 3.69Å; F148-F154 HydrophobicContact CE1-CD1 3.69Å; F148-F154 AromaticContact CE1-CE1 3.71Å; F148-F154 HydrophobicContact CE1-CE1 3.71Å; A150-F154 HydrophobicContact CB-CB 3.83Å; A150-F154 HydrophobicContact CB-CD1 4.42Å; A150-F154 WeakPolarHBondContact CB-O 3.5Å; A150-F154 PolarHBondContact N-O 2.8Å; D152-F154 WeakPolarHBondContact OD1-CB 3.31Å; D152-F154 PolarHBondContact OD1-N 3.02Å; F154-A156 HydrophobicContact CE1-CB 4.43Å; F154-A156 HydrophobicContact CZ-CB 4.22Å; F154-I167 HydrophobicContact CE1-CG2 3.61Å; F154-I167 HydrophobicContact CZ-CG2 3.69Å; F154-H169 VanDerWaalsContact CB-NE2 3.34Å; F154-H169 WeakPolarHBondContact CB-NE2 3.31Å; F154-H169 HydrophobicContact CD1-CB 3.71Å; F154-H169 AromaticContact CD1-CD2 3.43Å; F154-H169 VanDerWaalsContact CD1-CD2 3.43Å; F154-H169 WeakPolarHBondContact CD1-CD2 3.42Å; F154-H169 AromaticContact CD1-CG 3.35Å; F154-H169 AromaticContact CD1-ND1 3.88Å; F154-H169 AromaticContact CD1-NE2 4Å; F154-H169 HydrophobicContact CE1-CB 3.73Å; F154-H169 AromaticContact CE1-CG 3.86Å; F154-H169 AromaticContact CG-CD2 3.8Å; F154-H169 AromaticContact CG-CE1 3.96Å; F154-H169 AromaticContact CG-CG 3.86Å; F154-H169 AromaticContact CG-ND1 3.95Å; F154-H169 AromaticContact CG-NE2 3.87Å; F154-K195 HydrophobicContact CB-CD 4.23Å | ||
| 155 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.2 | 179.6 | 171.2 | 67.9 | 0 | 0 | 0 | 109.9 | L7 F8 V133 L135 K147 F148 L149 G153 V157 F188 V196 | L7-L155 CarbonylContact C-O 3.3Å; L7-L155 WeakPolarHBondContact CA-O 3.49Å; F8-L155 HydrophobicContact CB-CB 4.33Å; F8-L155 HydrophobicContact CD2-CB 4.37Å; F8-L155 HydrophobicContact CD2-CD2 3.85Å; F8-L155 HydrophobicContact CD2-CG 4.14Å; F8-L155 HydrophobicContact CE2-CD2 4.36Å; F8-L155 PolarHBondContact N-O 2.74Å; F8-L155 PolarHBondContact O-N 2.83Å; V133-L155 HydrophobicContact CG1-CD2 4.43Å; L135-L155 HydrophobicContact CD1-CD2 4.5Å; K147-L155 HydrophobicContact CB-CD1 4.27Å; F148-L155 WeakPolarHBondContact O-CA 3.42Å; F148-L155 WeakPolarHBondContact O-CD1 3.27Å; L149-L155 HydrophobicContact CB-CD1 4.44Å; L149-L155 HydrophobicContact CD1-CB 4.06Å; L149-L155 HydrophobicContact CD1-CD1 4.32Å; G153-L155 PolarHBondContact O-N 3.47Å; L155-V157 HydrophobicContact CD1-CG2 3.74Å; L155-V157 HydrophobicContact CD2-CG2 4.08Å; L155-V157 HydrophobicContact CG-CG2 3.79Å; L155-F188 HydrophobicContact CD1-CZ 4.39Å; L155-F188 HydrophobicContact CD2-CD1 4.42Å; L155-F188 HydrophobicContact CD2-CD2 4.36Å; L155-F188 HydrophobicContact CD2-CE1 4.23Å; L155-F188 HydrophobicContact CD2-CE2 4.19Å; L155-F188 HydrophobicContact CD2-CG 4.49Å; L155-F188 HydrophobicContact CD2-CZ 4.11Å; L155-V196 HydrophobicContact CB-CG2 3.39Å; L155-V196 HydrophobicContact CD2-CG2 3.86Å; L155-V196 HydrophobicContact CG-CG2 4.22Å |
| 156 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A6 L7 K147 F148 F154 L164 I167 | A6-A156 WeakPolarHBondContact O-CA 3.37Å; L7-A156 HydrophobicContact CD2-CB 3.3Å; K147-A156 CarbonylContact C-O 3.36Å; K147-A156 WeakPolarHBondContact CA-O 3.13Å; F148-A156 HydrophobicContact CB-CB 4.18Å; F148-A156 HydrophobicContact CD1-CB 4.33Å; F148-A156 PolarHBondContact N-O 3.33Å; F148-A156 PolarHBondContact O-N 2.86Å; F154-A156 HydrophobicContact CE1-CB 4.43Å; F154-A156 HydrophobicContact CZ-CB 4.22Å; A156-L164 HydrophobicContact CB-CD2 3.76Å; A156-I167 HydrophobicContact CB-CD1 3.4Å |
| 157 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.1 | -175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | W5 A6 I124 L135 L145 F146 K147 L155 | W5-V157 CarbonylContact C-O 3.6Å; W5-V157 VanDerWaalsContact CA-O 3.26Å; W5-V157 WeakPolarHBondContact CA-O 3.18Å; A6-V157 PolarHBondContact N-O 2.82Å; A6-V157 PolarHBondContact O-N 3.31Å; I124-V157 HydrophobicContact CD1-CB 3.87Å; I124-V157 HydrophobicContact CD1-CG1 3.71Å; I124-V157 HydrophobicContact CG1-CB 4.41Å; I124-V157 HydrophobicContact CG1-CG1 3.94Å; L135-V157 HydrophobicContact CD1-CG1 4.42Å; L135-V157 HydrophobicContact CD1-CG2 3.8Å; L135-V157 HydrophobicContact CD2-CG1 4.12Å; L135-V157 HydrophobicContact CD2-CG2 3.9Å; L145-V157 HydrophobicContact CD1-CG1 3.42Å; L145-V157 VanDerWaalsContact CD1-CG1 3.42Å; L145-V157 HydrophobicContact CD2-CG1 4.36Å; L145-V157 HydrophobicContact CG-CG1 3.94Å; F146-V157 WeakPolarHBondContact O-CA 3.45Å; F146-V157 WeakPolarHBondContact O-CG1 3.44Å; K147-V157 HydrophobicContact CB-CG2 4.44Å; L155-V157 HydrophobicContact CD1-CG2 3.74Å; L155-V157 HydrophobicContact CD2-CG2 4.08Å; L155-V157 HydrophobicContact CG-CG2 3.79Å |
| 158 | C | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.9 | -178.4 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | I4 L145 F146 E160 L164 | I4-C158 CarbonylContact O-C 3.57Å; I4-C158 VanDerWaalsContact O-CA 3.27Å; I4-C158 WeakPolarHBondContact O-CA 3.39Å; L145-C158 CarbonylContact C-O 3.55Å; F146-C158 PolarHBondContact N-O 3.33Å; F146-C158 PolarHBondContact O-N 3.46Å; C158-E160 VanDerWaalsContact C-N 3.29Å; C158-E160 WeakPolarHBondContact CB-O 3.17Å; C158-E160 PolarHBondContact O-N 3.38Å; C158-E160 PolarHBondContact SG-O 3.25Å; C158-L164 HydrophobicContact CB-CD1 3.98Å; C158-L164 HydrophobicContact CB-CD2 3.56Å; C158-L164 HydrophobicContact CB-CG 3.55Å |
| 159 | S | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -59.4 | -38.3 | 170.3 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | I4 P144 | I4-S159 WeakPolarHBondContact CG1-OG 2.98Å; I4-S159 PolarHBondContact N-OG 3.25Å; I4-S159 PolarHBondContact O-N 2.94Å; P144-S159 CarbonylContact C-O 3.57Å; P144-S159 WeakPolarHBondContact CB-O 3.48Å; P144-S159 VanDerWaalsContact CG-O 3.27Å; P144-S159 WeakPolarHBondContact CG-O 3.44Å |
| 160 | E | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -129.5 | 141.1 | -175.7 | -60.3 | 179.9 | 171.7 | 0 | 0 | 109.6 | I24 H26 R27 C158 K162 G163 E332 | I24-E160 HydrophobicContact CG2-CB 3.86Å; I24-E160 HydrophobicContact CG2-CG 4.3Å; H26-E160 IonicContact CE1-OE2 3.72Å; H26-E160 PolarHBondContact CE1-OE2 2.92Å; H26-E160 IonicContact NE2-OE1 2.73Å; H26-E160 PolarHBondContact NE2-OE1 2.68Å; H26-E160 VanDerWaalsContact NE2-OE1 3.09Å; H26-E160 IonicContact NE2-OE2 3.6Å; H26-E160 PolarHBondContact NE2-OE2 2.97Å; R27-E160 VanDerWaalsContact CD-OE1 3.29Å; R27-E160 WeakPolarHBondContact CD-OE1 3.29Å; R27-E160 IonicContact CZ-OE1 2.69Å; R27-E160 IonicContact NE-OE1 2.85Å; R27-E160 IonicContact NH1-OE1 2.65Å; R27-E160 PolarHBondContact NH1-OE1 2.77Å; C158-E160 VanDerWaalsContact C-N 3.29Å; C158-E160 WeakPolarHBondContact CB-O 3.17Å; C158-E160 PolarHBondContact O-N 3.38Å; C158-E160 PolarHBondContact SG-O 3.25Å; E160-K162 HydrophobicContact CB-CG 4.01Å; E160-K162 VanDerWaalsContact CD-NZ 3.32Å; E160-K162 PolarHBondContact O-N 2.93Å; E160-K162 WeakPolarHBondContact OE2-CD 3.36Å; E160-K162 WeakPolarHBondContact OE2-CE 3.24Å; E160-K162 IonicContact OE2-NZ 2.76Å; E160-K162 PolarHBondContact OE2-NZ 3.27Å; E160-G163 PolarHBondContact O-N 2.72Å; E160-G163 VanDerWaalsContact O-N 3.07Å; E160-E332 WeakPolarHBondContact CB-OE1 3.37Å |
| 161 | A | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -61.6 | -30.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F146 G163 L164 V165 I177 E332 W532 | F146-A161 HydrophobicContact CD1-CB 3.78Å; F146-A161 HydrophobicContact CD2-CB 4.3Å; F146-A161 HydrophobicContact CE1-CB 3.86Å; F146-A161 HydrophobicContact CE2-CB 4.39Å; F146-A161 HydrophobicContact CG-CB 4.01Å; F146-A161 HydrophobicContact CZ-CB 4.18Å; A161-G163 PolarHBondContact O-N 3.01Å; A161-G163 VanDerWaalsContact O-N 3.11Å; A161-L164 WeakPolarHBondContact O-CA 3.39Å; A161-L164 WeakPolarHBondContact O-CB 3.34Å; A161-L164 PolarHBondContact O-N 3.33Å; A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 3.23Å; A161-I177 HydrophobicContact CB-CG2 4.1Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 3.36Å; A161-E332 PolarHBondContact N-OE2 3.13Å; A161-W532 HydrophobicContact CB-CD2 4.29Å; A161-W532 HydrophobicContact CB-CE3 4.1Å; A161-W532 HydrophobicContact CB-CH2 3.34Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.64Å |
| 162 | K | 97.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -55.7 | -26.2 | 175.3 | 70.4 | 179.8 | 66.9 | 59.2 | 0 | 113.7 | K23 I24 E160 L164 F329 H330 E332 F526 | K23-K162 HydrophobicContact CB-CG 4.43Å; K23-K162 WeakPolarHBondContact O-CD 3.23Å; I24-K162 HydrophobicContact CG2-CG 4.24Å; E160-K162 HydrophobicContact CB-CG 4.01Å; E160-K162 VanDerWaalsContact CD-NZ 3.32Å; E160-K162 PolarHBondContact O-N 2.93Å; E160-K162 WeakPolarHBondContact OE2-CD 3.36Å; E160-K162 WeakPolarHBondContact OE2-CE 3.24Å; E160-K162 IonicContact OE2-NZ 2.76Å; E160-K162 PolarHBondContact OE2-NZ 3.27Å; K162-L164 PolarHBondContact O-N 3.32Å; K162-F329 HydrophobicContact CD-CE1 4.02Å; K162-F329 HydrophobicContact CD-CE2 4.41Å; K162-F329 HydrophobicContact CD-CZ 3.75Å; K162-F329 WeakPolarHBondContact CE-O 3.28Å; K162-H330 PolarHBondContact NZ-O 3.29Å; K162-E332 VanDerWaalsContact CB-OE1 3.24Å; K162-E332 WeakPolarHBondContact CB-OE1 3.15Å; K162-E332 WeakPolarHBondContact CE-OE1 3.44Å; K162-E332 VanDerWaalsContact CG-OE1 3.28Å; K162-E332 WeakPolarHBondContact CG-OE1 3.33Å; K162-E332 PolarHBondContact N-OE1 2.97Å; K162-E332 VanDerWaalsContact NZ-CD 3.32Å; K162-E332 IonicContact NZ-OE1 3.76Å; K162-E332 PolarHBondContact NZ-OE1 2.78Å; K162-F526 HydrophobicContact CB-CE1 3.88Å; K162-F526 HydrophobicContact CB-CZ 4.25Å |
| 163 | G | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -79.2 | 0.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | W5 C20 E160 A161 | W5-G163 PolarHBondContact NE1-O 3.46Å; W5-G163 VanDerWaalsContact NE1-O 3.08Å; C20-G163 WeakPolarHBondContact CB-O 3.26Å; E160-G163 PolarHBondContact O-N 2.72Å; E160-G163 VanDerWaalsContact O-N 3.07Å; A161-G163 PolarHBondContact O-N 3.01Å; A161-G163 VanDerWaalsContact O-N 3.11Å |
| 164 | L | 95.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -22.3 | -179.8 | -56.8 | 177.5 | 0 | 0 | 0 | 113.2 | F146 F148 A156 C158 A161 K162 E166 I167 I177 | F146-L164 HydrophobicContact CB-CD1 3.8Å; F148-L164 HydrophobicContact CB-CD1 4.44Å; A156-L164 HydrophobicContact CB-CD2 3.76Å; C158-L164 HydrophobicContact CB-CD1 3.98Å; C158-L164 HydrophobicContact CB-CD2 3.56Å; C158-L164 HydrophobicContact CB-CG 3.55Å; A161-L164 WeakPolarHBondContact O-CA 3.39Å; A161-L164 WeakPolarHBondContact O-CB 3.34Å; A161-L164 PolarHBondContact O-N 3.33Å; K162-L164 PolarHBondContact O-N 3.32Å; L164-E166 VanDerWaalsContact C-N 3.3Å; L164-E166 PolarHBondContact O-N 3.01Å; L164-I167 HydrophobicContact CB-CD1 4.31Å; L164-I167 HydrophobicContact CD2-CD1 3.57Å; L164-I167 WeakPolarHBondContact O-CB 3.23Å; L164-I167 PolarHBondContact O-N 3.23Å; L164-I167 VanDerWaalsContact O-N 3.16Å; L164-I177 HydrophobicContact CB-CD1 3.84Å; L164-I177 HydrophobicContact CB-CG1 4.18Å; L164-I177 HydrophobicContact CB-CG2 4.43Å; L164-I177 HydrophobicContact CD1-CG2 3.94Å |
| 165 | V | 93.1 | Very high | 90 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -35.8 | -172.3 | 171.9 | 0 | 0 | 0 | 0 | 113.2 | A161 I177 F526 W532 | A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 3.23Å; V165-I177 HydrophobicContact CG2-CD1 3.95Å; V165-F526 HydrophobicContact CG2-CD1 4.13Å; V165-W532 HydrophobicContact CG2-CH2 3.69Å; V165-W532 HydrophobicContact CG2-CZ2 4.19Å |
| 166 | E | 90.8 | Very high | 89.5 | Confident | 112 Ų | 112 | 43 Ų | 43 | 52% | 0.523 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.2 | -177.9 | -65.6 | 176.8 | -173.4 | 0 | 0 | 113 | K23 L164 T168 | K23-E166 WeakPolarHBondContact CE-OE2 3.45Å; K23-E166 IonicContact NZ-OE1 2.77Å; K23-E166 PolarHBondContact NZ-OE1 2.79Å; K23-E166 IonicContact NZ-OE2 3.17Å; K23-E166 PolarHBondContact NZ-OE2 3.08Å; L164-E166 VanDerWaalsContact C-N 3.3Å; L164-E166 PolarHBondContact O-N 3.01Å; E166-T168 PolarHBondContact O-N 3.48Å |
| 167 | I | 89.5 | Confident | 89.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | trans | -67.7 | 123.8 | 177.4 | -69.7 | 179.5 | 0 | 0 | 0 | 109.6 | L7 C20 F154 A156 L164 | L7-I167 HydrophobicContact CD2-CD1 3.88Å; C20-I167 HydrophobicContact CB-CG1 4.23Å; F154-I167 HydrophobicContact CE1-CG2 3.61Å; F154-I167 HydrophobicContact CZ-CG2 3.69Å; A156-I167 HydrophobicContact CB-CD1 3.4Å; L164-I167 HydrophobicContact CB-CD1 4.31Å; L164-I167 HydrophobicContact CD2-CD1 3.57Å; L164-I167 WeakPolarHBondContact O-CB 3.23Å; L164-I167 PolarHBondContact O-N 3.23Å; L164-I167 VanDerWaalsContact O-N 3.16Å | ||
| 168 | T | 84.3 | Confident | 89.3 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | trans | -95 | 129.5 | 173.2 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | Q17 E166 | Q17-T168 PolarHBondContact NE2-O 3Å; Q17-T168 VanDerWaalsContact NE2-O 3.17Å; E166-T168 PolarHBondContact O-N 3.48Å | ||
| 169 | H | 86.9 | Confident | 89.2 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | trans | -148.8 | 143.3 | 173.4 | -170.5 | 49.4 | 0 | 0 | 0 | 109.1 | D11 D152 F154 M171 K195 | D11-H169 IonicContact OD2-CE1 2.81Å; D11-H169 PolarHBondContact OD2-CE1 3.11Å; D11-H169 IonicContact OD2-ND1 3.58Å; D152-H169 IonicContact OD1-CD2 3.41Å; D152-H169 IonicContact OD1-NE2 2.84Å; D152-H169 PolarHBondContact OD1-NE2 2.63Å; D152-H169 IonicContact OD2-CE1 3.89Å; D152-H169 PolarHBondContact OD2-CE1 2.99Å; D152-H169 IonicContact OD2-NE2 3.99Å; D152-H169 PolarHBondContact OD2-NE2 3.03Å; F154-H169 VanDerWaalsContact CB-NE2 3.34Å; F154-H169 WeakPolarHBondContact CB-NE2 3.31Å; F154-H169 HydrophobicContact CD1-CB 3.71Å; F154-H169 AromaticContact CD1-CD2 3.43Å; F154-H169 VanDerWaalsContact CD1-CD2 3.43Å; F154-H169 WeakPolarHBondContact CD1-CD2 3.42Å; F154-H169 AromaticContact CD1-CG 3.35Å; F154-H169 AromaticContact CD1-ND1 3.88Å; F154-H169 AromaticContact CD1-NE2 4Å; F154-H169 HydrophobicContact CE1-CB 3.73Å; F154-H169 AromaticContact CE1-CG 3.86Å; F154-H169 AromaticContact CG-CD2 3.8Å; F154-H169 AromaticContact CG-CE1 3.96Å; F154-H169 AromaticContact CG-CG 3.86Å; F154-H169 AromaticContact CG-ND1 3.95Å; F154-H169 AromaticContact CG-NE2 3.87Å; H169-M171 HydrophobicContact CB-CG 4.06Å; H169-M171 HydrophobicContact CB-SD 4.15Å; H169-M171 VanDerWaalsContact CD2-CG 3.46Å; H169-M171 WeakPolarHBondContact CD2-CG 3.45Å; H169-M171 WeakPolarHBondContact O-CG 3.31Å; H169-M171 PolarHBondContact O-N 3.37Å; H169-K195 PolarHBondContact CE1-NZ 3.09Å | ||
| 170 | S | 82.9 | Confident | 89.2 | Confident | 99 Ų | 99 | 47 Ų | 47 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | trans | -76.1 | 118.9 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 171 | M | 80.5 | Confident | 89.1 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | trans | -142.3 | 137.3 | -172.1 | -51.5 | -178.2 | 75.5 | 0 | 0 | 111.6 | F148 A150 H169 T173 A175 | F148-M171 HydrophobicContact CE1-CE 4.16Å; F148-M171 HydrophobicContact CE1-SD 4.01Å; F148-M171 HydrophobicContact CZ-CE 3.97Å; F148-M171 HydrophobicContact CZ-SD 3.48Å; F148-M171 WeakPolarHBondContact CZ-SD 3.19Å; A150-M171 HydrophobicContact CB-CE 3.13Å; A150-M171 HydrophobicContact CB-SD 4.37Å; H169-M171 HydrophobicContact CB-CG 4.06Å; H169-M171 HydrophobicContact CB-SD 4.15Å; H169-M171 VanDerWaalsContact CD2-CG 3.46Å; H169-M171 WeakPolarHBondContact CD2-CG 3.45Å; H169-M171 WeakPolarHBondContact O-CG 3.31Å; H169-M171 PolarHBondContact O-N 3.37Å; M171-T173 WeakPolarHBondContact CB-O 3.48Å; M171-T173 WeakPolarHBondContact CE-O 3.46Å; M171-A175 HydrophobicContact CE-CB 3.27Å; M171-A175 HydrophobicContact SD-CB 4.21Å | ||
| 172 | E | 73.4 | Confident | 89.1 | Confident | 208 Ų | 208 | 50.7 Ų | 50.7 | 97% | 0.972 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -74.4 | -40.2 | 169.6 | -63.9 | -174.8 | 174.6 | 0 | 0 | 111.1 | ||
| 173 | T | 75.1 | Confident | 89.2 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -112 | 135.1 | 174.9 | -40.7 | 0 | 0 | 0 | 0 | 110.3 | D151 M171 A175 | D151-T173 WeakPolarHBondContact OD2-CB 3.17Å; D151-T173 PolarHBondContact OD2-OG1 2.87Å; M171-T173 WeakPolarHBondContact CB-O 3.48Å; M171-T173 WeakPolarHBondContact CE-O 3.46Å; T173-A175 PolarHBondContact O-N 3.41Å |
| 174 | A | 74.6 | Confident | 89.2 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 81% | 0.81 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 117.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 175 | A | 78.9 | Confident | 89.4 | Confident | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -73 | 147.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F148 L149 M171 T173 | F148-A175 HydrophobicContact CD1-CB 4.33Å; F148-A175 HydrophobicContact CD2-CB 3.96Å; F148-A175 HydrophobicContact CE1-CB 3.93Å; F148-A175 HydrophobicContact CE2-CB 3.57Å; F148-A175 HydrophobicContact CG-CB 4.35Å; F148-A175 HydrophobicContact CZ-CB 3.58Å; L149-A175 VanDerWaalsContact O-CB 3.23Å; L149-A175 WeakPolarHBondContact O-CB 2.94Å; M171-A175 HydrophobicContact CE-CB 3.27Å; M171-A175 HydrophobicContact SD-CB 4.21Å; T173-A175 PolarHBondContact O-N 3.41Å |
| 176 | S | 88.3 | Confident | 89.6 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -90 | 135.6 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 111 | ||
| 177 | I | 95.4 | Very high | 90 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.2 | 164.1 | -60.2 | 167.3 | 0 | 0 | 0 | 106.3 | F146 K147 F148 A161 L164 V165 W532 | F146-I177 HydrophobicContact CB-CG2 4.31Å; F146-I177 HydrophobicContact CD1-CG2 4.14Å; K147-I177 WeakPolarHBondContact O-CA 3.38Å; F148-I177 HydrophobicContact CB-CG1 4.29Å; F148-I177 HydrophobicContact CD2-CG1 3.79Å; A161-I177 HydrophobicContact CB-CG2 4.1Å; L164-I177 HydrophobicContact CB-CD1 3.84Å; L164-I177 HydrophobicContact CB-CG1 4.18Å; L164-I177 HydrophobicContact CB-CG2 4.43Å; L164-I177 HydrophobicContact CD1-CG2 3.94Å; V165-I177 HydrophobicContact CG2-CD1 3.95Å; I177-W532 HydrophobicContact CB-CZ2 4.02Å; I177-W532 HydrophobicContact CD1-CZ2 4.12Å; I177-W532 HydrophobicContact CG2-CZ2 3.91Å; I177-W532 PolarHBondContact O-NE1 3.12Å |
| 178 | V | 95.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.3 | -179.9 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | F146 K147 F180 | F146-V178 WeakPolarHBondContact CA-O 3.12Å; K147-V178 HydrophobicContact CD-CG2 4.44Å; K147-V178 HydrophobicContact CG-CG2 3.71Å; K147-V178 PolarHBondContact N-O 2.7Å; K147-V178 PolarHBondContact O-N 3.22Å; V178-F180 PolarHBondContact O-N 2.85Å |
| 179 | P | 97.1 | Very high | 91.2 | Very high | 28 Ų | 28 | 44 Ų | 44 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 135 | 166.3 | -15.8 | 26.8 | 0 | 0 | 0 | 110.2 | F146 Y398 | F146-P179 HydrophobicContact CD1-CB 4.24Å; F146-P179 HydrophobicContact CD1-CG 4.17Å; F146-P179 HydrophobicContact CE1-CB 3.97Å; F146-P179 HydrophobicContact CE1-CG 3.64Å; F146-P179 HydrophobicContact CZ-CB 4.45Å; F146-P179 HydrophobicContact CZ-CG 4.36Å; P179-Y398 HydrophobicContact CB-CE2 4.06Å |
| 180 | F | 98.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 131.5 | 170.5 | -168.4 | -83 | 0 | 0 | 0 | 109.6 | L135 R137 L145 K147 V178 Y184 E186 F201 | L135-F180 HydrophobicContact CB-CD2 4.13Å; L135-F180 HydrophobicContact CB-CE2 3.5Å; L135-F180 HydrophobicContact CB-CZ 3.82Å; L135-F180 HydrophobicContact CD1-CD2 4.14Å; L135-F180 HydrophobicContact CD1-CE2 4.01Å; L135-F180 HydrophobicContact CG-CE2 4.39Å; R137-F180 HydrophobicContact CB-CD1 3.73Å; R137-F180 HydrophobicContact CB-CE1 4.17Å; R137-F180 WeakPolarHBondContact CD-O 3.49Å; R137-F180 PolarHBondContact NH1-O 3.39Å; L145-F180 HydrophobicContact CB-CB 3.93Å; L145-F180 HydrophobicContact CD2-CB 4.08Å; L145-F180 HydrophobicContact CD2-CD1 4.21Å; L145-F180 HydrophobicContact CD2-CD2 4.42Å; L145-F180 HydrophobicContact CD2-CG 3.98Å; L145-F180 HydrophobicContact CG-CB 4.03Å; L145-F180 HydrophobicContact CG-CG 4.47Å; L145-F180 WeakPolarHBondContact O-CB 3.14Å; L145-F180 PolarHBondContact O-N 2.95Å; K147-F180 HydrophobicContact CD-CD2 4.29Å; V178-F180 PolarHBondContact O-N 2.85Å; F180-Y184 WeakPolarHBondContact CE1-O 2.96Å; F180-E186 HydrophobicContact CE2-CB 3.69Å; F180-E186 WeakPolarHBondContact CE2-OE2 3.35Å; F180-E186 HydrophobicContact CZ-CB 3.89Å; F180-F201 HydrophobicContact CE1-CE2 4.46Å; F180-F201 HydrophobicContact CE2-CE2 4.12Å; F180-F201 AromaticContact CZ-CE2 3.92Å; F180-F201 HydrophobicContact CZ-CE2 3.92Å |
| 181 | L | 97.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -68.7 | 138 | -169.8 | -62.9 | -176.6 | 0 | 0 | 0 | 113 | Y184 F201 | L181-Y184 HydrophobicContact CB-CD2 3.64Å; L181-Y184 HydrophobicContact CB-CE2 4.18Å; L181-Y184 HydrophobicContact CB-CG 4.13Å; L181-Y184 HydrophobicContact CD1-CD2 4.46Å; L181-Y184 HydrophobicContact CD1-CE2 4.34Å; L181-F201 HydrophobicContact CB-CZ 4.08Å; L181-F201 HydrophobicContact CD1-CE1 3.87Å; L181-F201 HydrophobicContact CD1-CZ 3.82Å; L181-F201 HydrophobicContact CG-CZ 4.03Å |
| 182 | P | 98.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.1 | 171.6 | -26.8 | 37.3 | 0 | 0 | 0 | 114.5 | D138 T139 Y184 Y398 | D138-P182 CarbonylContact O-C 3.42Å; D138-P182 WeakPolarHBondContact O-CA 3.47Å; D138-P182 WeakPolarHBondContact O-CB 3.09Å; T139-P182 WeakPolarHBondContact O-CB 3.35Å; P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 WeakPolarHBondContact O-CD2 3.41Å; P182-Y398 HydrophobicContact CG-CD1 3.55Å; P182-Y398 HydrophobicContact CG-CD2 4.25Å; P182-Y398 HydrophobicContact CG-CE1 4.17Å; P182-Y398 HydrophobicContact CG-CG 3.58Å |
| 183 | G | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 12.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R137 D138 Q203 F204 H205 | R137-G183 PolarHBondContact O-N 3.21Å; D138-G183 PolarHBondContact O-N 2.81Å; G183-Q203 CarbonylContact O-C 3.51Å; G183-Q203 WeakPolarHBondContact O-CA 3.47Å; G183-Q203 WeakPolarHBondContact O-CG 3.42Å; G183-F204 VanDerWaalsContact C-CD1 3.43Å; G183-F204 WeakPolarHBondContact O-CD1 3.33Å; G183-F204 WeakPolarHBondContact O-CE1 3.29Å; G183-F204 PolarHBondContact O-N 3.27Å; G183-H205 PolarHBondContact O-N 3.4Å |
| 184 | Y | 98.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 158.7 | 178.4 | -72.5 | -105.6 | 0 | 0 | 0 | 112.2 | G136 R137 F180 L181 P182 F201 E202 Q203 F204 | G136-Y184 WeakPolarHBondContact CA-O 3.22Å; R137-Y184 PolarHBondContact N-O 3.32Å; F180-Y184 WeakPolarHBondContact CE1-O 2.96Å; L181-Y184 HydrophobicContact CB-CD2 3.64Å; L181-Y184 HydrophobicContact CB-CE2 4.18Å; L181-Y184 HydrophobicContact CB-CG 4.13Å; L181-Y184 HydrophobicContact CD1-CD2 4.46Å; L181-Y184 HydrophobicContact CD1-CE2 4.34Å; P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 WeakPolarHBondContact O-CD2 3.41Å; Y184-F201 HydrophobicContact CD1-CD1 4.2Å; Y184-F201 HydrophobicContact CD1-CD2 4.47Å; Y184-F201 AromaticContact CD1-CE1 3.78Å; Y184-F201 HydrophobicContact CD1-CE1 3.78Å; Y184-F201 HydrophobicContact CD1-CE2 4.08Å; Y184-F201 AromaticContact CD1-CZ 3.72Å; Y184-F201 HydrophobicContact CD1-CZ 3.72Å; Y184-F201 HydrophobicContact CE1-CE1 4.16Å; Y184-F201 HydrophobicContact CE1-CZ 4.47Å; Y184-F201 HydrophobicContact CG-CE1 4.38Å; Y184-F201 HydrophobicContact CG-CE2 4.17Å; Y184-F201 AromaticContact CG-CZ 3.89Å; Y184-F201 HydrophobicContact CG-CZ 3.89Å; Y184-E202 CarbonylContact C-O 3.6Å; Y184-E202 VanDerWaalsContact CA-O 3.26Å; Y184-E202 WeakPolarHBondContact CA-O 3.5Å; Y184-E202 WeakPolarHBondContact CD1-O 3.25Å; Y184-Q203 HydrophobicContact CD1-CB 4Å; Y184-Q203 HydrophobicContact CD2-CB 4.43Å; Y184-Q203 HydrophobicContact CD2-CG 4.27Å; Y184-Q203 HydrophobicContact CE1-CB 3.58Å; Y184-Q203 HydrophobicContact CE1-CG 4.32Å; Y184-Q203 HydrophobicContact CE2-CB 4.05Å; Y184-Q203 HydrophobicContact CE2-CG 3.86Å; Y184-Q203 HydrophobicContact CG-CB 4.38Å; Y184-F204 WeakPolarHBondContact O-CE1 3.16Å |
| 185 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.2 | 158.4 | 70.9 | -88.5 | 0 | 0 | 0 | 110.3 | I110 Q111 L135 V187 Q200 F201 E202 F204 | I110-F185 HydrophobicContact CG1-CB 4.37Å; I110-F185 HydrophobicContact CG1-CD2 3.84Å; I110-F185 HydrophobicContact CG1-CE2 4.4Å; I110-F185 HydrophobicContact CG1-CG 4.11Å; I110-F185 HydrophobicContact CG2-CD2 3.92Å; I110-F185 HydrophobicContact CG2-CE2 3.62Å; I110-F185 HydrophobicContact CG2-CZ 4.21Å; Q111-F185 HydrophobicContact CB-CE1 4.02Å; Q111-F185 HydrophobicContact CB-CZ 3.97Å; Q111-F185 HydrophobicContact CG-CE1 4.05Å; Q111-F185 HydrophobicContact CG-CZ 4.29Å; L135-F185 CarbonylContact O-C 3.52Å; L135-F185 WeakPolarHBondContact O-CA 3.28Å; L135-F185 VanDerWaalsContact O-CB 3.3Å; L135-F185 WeakPolarHBondContact O-CB 3.45Å; F185-V187 HydrophobicContact CD2-CG2 3.83Å; F185-V187 HydrophobicContact CE2-CG2 3.67Å; F185-Q200 HydrophobicContact CE2-CG 4.39Å; F185-F201 WeakPolarHBondContact O-CD2 3.47Å; F185-E202 HydrophobicContact CE1-CB 3.82Å; F185-E202 HydrophobicContact CE2-CB 4.45Å; F185-E202 HydrophobicContact CZ-CB 3.77Å; F185-E202 PolarHBondContact N-O 3.44Å; F185-E202 PolarHBondContact O-N 2.62Å; F185-F204 HydrophobicContact CD1-CB 4.09Å; F185-F204 HydrophobicContact CD1-CD1 4.28Å; F185-F204 HydrophobicContact CE1-CB 4.34Å |
| 186 | E | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.3 | 174.7 | -163 | 171.3 | -177.1 | 0 | 0 | 109.7 | Y134 L135 K147 F180 F188 S198 Q200 F201 | Y134-E186 VanDerWaalsContact CA-O 3.3Å; Y134-E186 WeakPolarHBondContact CA-O 3.26Å; L135-E186 HydrophobicContact CB-CB 4.45Å; L135-E186 PolarHBondContact N-O 3.23Å; L135-E186 PolarHBondContact O-N 3.02Å; K147-E186 IonicContact NZ-OE1 2.96Å; K147-E186 PolarHBondContact NZ-OE1 3.1Å; K147-E186 IonicContact NZ-OE2 3.59Å; K147-E186 PolarHBondContact NZ-OE2 3.42Å; F180-E186 HydrophobicContact CE2-CB 3.69Å; F180-E186 WeakPolarHBondContact CE2-OE2 3.35Å; F180-E186 HydrophobicContact CZ-CB 3.89Å; E186-F188 HydrophobicContact CB-CE2 3.78Å; E186-F188 HydrophobicContact CB-CZ 4.3Å; E186-F188 HydrophobicContact CG-CD2 4.23Å; E186-F188 HydrophobicContact CG-CE1 4.44Å; E186-F188 HydrophobicContact CG-CE2 3.51Å; E186-F188 HydrophobicContact CG-CZ 3.65Å; E186-F188 VanDerWaalsContact OE1-CZ 3.29Å; E186-F188 WeakPolarHBondContact OE1-CZ 2.99Å; E186-F188 WeakPolarHBondContact OE2-CZ 3.36Å; E186-S198 WeakPolarHBondContact OE1-CB 3.15Å; E186-S198 PolarHBondContact OE1-OG 3.46Å; E186-Q200 CarbonylContact C-O 3.57Å; E186-Q200 VanDerWaalsContact CA-O 3.3Å; E186-Q200 WeakPolarHBondContact CA-O 3.2Å; E186-Q200 WeakPolarHBondContact CG-O 3.37Å; E186-F201 HydrophobicContact CB-CD2 3.78Å; E186-F201 HydrophobicContact CB-CE2 4.4Å; E186-F201 HydrophobicContact CG-CB 4.31Å; E186-F201 HydrophobicContact CG-CD2 3.91Å |
| 187 | V | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.3 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | I110 K132 Y134 F185 V199 Q200 | I110-V187 HydrophobicContact CG2-CG2 4.18Å; K132-V187 HydrophobicContact CD-CG1 3.99Å; Y134-V187 HydrophobicContact CD1-CB 4.25Å; Y134-V187 HydrophobicContact CD1-CG1 3.98Å; Y134-V187 HydrophobicContact CD1-CG2 3.83Å; Y134-V187 HydrophobicContact CE1-CB 4.24Å; Y134-V187 HydrophobicContact CE1-CG1 3.57Å; Y134-V187 HydrophobicContact CE1-CG2 3.87Å; F185-V187 HydrophobicContact CD2-CG2 3.83Å; F185-V187 HydrophobicContact CE2-CG2 3.67Å; V187-V199 HydrophobicContact CB-CG2 3.95Å; V187-V199 HydrophobicContact CG1-CG2 3.82Å; V187-V199 WeakPolarHBondContact O-CG2 3.48Å; V187-V199 PolarHBondContact O-N 2.68Å; V187-Q200 HydrophobicContact CB-CB 3.95Å; V187-Q200 HydrophobicContact CG2-CB 3.93Å; V187-Q200 HydrophobicContact CG2-CG 4.39Å; V187-Q200 PolarHBondContact N-O 3.44Å; V187-Q200 PolarHBondContact O-N 3.34Å |
| 188 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.1 | 172.9 | -53.6 | -106 | 0 | 0 | 0 | 111.1 | K132 V133 L135 L149 L155 E186 V196 Q197 | K132-F188 VanDerWaalsContact CA-O 3.28Å; K132-F188 WeakPolarHBondContact CA-O 3.22Å; K132-F188 WeakPolarHBondContact CD-O 3.09Å; V133-F188 HydrophobicContact CB-CB 4.23Å; V133-F188 HydrophobicContact CB-CD2 4.5Å; V133-F188 PolarHBondContact N-O 3.11Å; V133-F188 PolarHBondContact O-N 3.25Å; L135-F188 HydrophobicContact CD1-CE2 3.7Å; L135-F188 HydrophobicContact CD1-CZ 4.07Å; L135-F188 HydrophobicContact CG-CE2 3.83Å; L149-F188 HydrophobicContact CD1-CE1 4.4Å; L149-F188 HydrophobicContact CD2-CE1 4.16Å; L155-F188 HydrophobicContact CD1-CZ 4.39Å; L155-F188 HydrophobicContact CD2-CD1 4.42Å; L155-F188 HydrophobicContact CD2-CD2 4.36Å; L155-F188 HydrophobicContact CD2-CE1 4.23Å; L155-F188 HydrophobicContact CD2-CE2 4.19Å; L155-F188 HydrophobicContact CD2-CG 4.49Å; L155-F188 HydrophobicContact CD2-CZ 4.11Å; E186-F188 HydrophobicContact CB-CE2 3.78Å; E186-F188 HydrophobicContact CB-CZ 4.3Å; E186-F188 HydrophobicContact CG-CD2 4.23Å; E186-F188 HydrophobicContact CG-CE1 4.44Å; E186-F188 HydrophobicContact CG-CE2 3.51Å; E186-F188 HydrophobicContact CG-CZ 3.65Å; E186-F188 VanDerWaalsContact OE1-CZ 3.29Å; E186-F188 WeakPolarHBondContact OE1-CZ 2.99Å; E186-F188 WeakPolarHBondContact OE2-CZ 3.36Å; F188-V196 HydrophobicContact CB-CB 3.89Å; F188-V196 HydrophobicContact CB-CG1 4.46Å; F188-V196 HydrophobicContact CB-CG2 4.39Å; F188-V196 HydrophobicContact CD1-CB 4.15Å; F188-V196 HydrophobicContact CD1-CG2 3.75Å; F188-V196 HydrophobicContact CE1-CG2 4.37Å; F188-V196 HydrophobicContact CG-CB 4.34Å; F188-V196 HydrophobicContact CG-CG2 4.3Å; F188-Q197 CarbonylContact C-O 3.55Å; F188-Q197 WeakPolarHBondContact CA-O 3.41Å |
| 189 | D | 98.8 | Very high | 98 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.8 | 161.4 | -79 | -9.6 | 0 | 0 | 0 | 109.9 | K132 K191 V196 Q197 V199 | K132-D189 WeakPolarHBondContact CE-OD1 3.41Å; K132-D189 IonicContact NZ-OD1 3.79Å; K132-D189 PolarHBondContact NZ-OD1 3.23Å; D189-K191 HydrophobicContact CB-CD 4.35Å; D189-K191 IonicContact OD2-NZ 2.98Å; D189-K191 PolarHBondContact OD2-NZ 2.99Å; D189-V196 CarbonylContact O-C 3.52Å; D189-V196 WeakPolarHBondContact O-CA 3.45Å; D189-Q197 HydrophobicContact CB-CB 4.48Å; D189-Q197 PolarHBondContact N-O 3.07Å; D189-Q197 PolarHBondContact O-N 3.42Å; D189-V199 HydrophobicContact CB-CG1 4.37Å |
| 190 | L | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 116.8 | 167.4 | -177.6 | 65.9 | 0 | 0 | 0 | 109.6 | F40 L126 R131 V133 G194 V196 | F40-L190 HydrophobicContact CD1-CD1 4.48Å; F40-L190 HydrophobicContact CD1-CD2 4.06Å; F40-L190 HydrophobicContact CD1-CG 4.28Å; F40-L190 HydrophobicContact CD2-CD2 3.91Å; F40-L190 HydrophobicContact CE1-CD2 3.86Å; F40-L190 HydrophobicContact CE1-CG 3.95Å; F40-L190 HydrophobicContact CE2-CD2 3.7Å; F40-L190 HydrophobicContact CG-CD2 4.08Å; F40-L190 HydrophobicContact CZ-CD2 3.67Å; F40-L190 HydrophobicContact CZ-CG 4.13Å; L126-L190 HydrophobicContact CD1-CD2 3.69Å; R131-L190 HydrophobicContact CB-CB 4.11Å; R131-L190 WeakPolarHBondContact CB-O 3.47Å; R131-L190 PolarHBondContact O-N 3.42Å; V133-L190 HydrophobicContact CG2-CB 4.49Å; V133-L190 HydrophobicContact CG2-CD1 4.48Å; L190-G194 WeakPolarHBondContact CD1-O 3.4Å; L190-V196 HydrophobicContact CD1-CG1 4.04Å |
| 191 | K | 98.2 | Very high | 98.1 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -82.4 | 161.1 | 177.8 | -53.1 | -53.9 | -178.6 | -176 | 0 | 110.1 | F40 D189 N193 G194 K195 | F40-K191 WeakPolarHBondContact CE1-O 3.27Å; D189-K191 HydrophobicContact CB-CD 4.35Å; D189-K191 IonicContact OD2-NZ 2.98Å; D189-K191 PolarHBondContact OD2-NZ 2.99Å; K191-N193 VanDerWaalsContact CB-OD1 3.3Å; K191-N193 WeakPolarHBondContact CB-OD1 3.44Å; K191-N193 PolarHBondContact O-N 3.45Å; K191-N193 VanDerWaalsContact O-N 3.14Å; K191-G194 PolarHBondContact O-N 2.66Å; K191-K195 WeakPolarHBondContact CB-O 3.35Å; K191-K195 PolarHBondContact N-O 3.25Å |
| 192 | L | 96.8 | Very high | 98.1 | Very high | 139 Ų | 139 | 42.9 Ų | 42.9 | 73% | 0.728 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.6 | -177.1 | -69.5 | 176.3 | 0 | 0 | 0 | 113.7 | G194 | L192-G194 VanDerWaalsContact C-N 3.29Š|
| 193 | N | 95.3 | Very high | 98 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 8 | 174.6 | 66.5 | -9.4 | 0 | 0 | 0 | 113.2 | N42 K191 K195 | N42-N193 PolarHBondContact ND2-O 3.4Å; K191-N193 VanDerWaalsContact CB-OD1 3.3Å; K191-N193 WeakPolarHBondContact CB-OD1 3.44Å; K191-N193 PolarHBondContact O-N 3.45Å; K191-N193 VanDerWaalsContact O-N 3.14Å; N193-K195 VanDerWaalsContact C-N 3.26Å; N193-K195 PolarHBondContact O-N 3.49Å; N193-K195 WeakPolarHBondContact OD1-CB 3.46Å; N193-K195 PolarHBondContact OD1-N 2.85Å |
| 194 | G | 97.3 | Very high | 98 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 82.6 | -12.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F8 G9 C43 L190 K191 L192 | F8-G194 CarbonylContact C-O 3.6Å; F8-G194 VanDerWaalsContact C-O 3.3Å; G9-G194 VanDerWaalsContact CA-C 3.42Å; G9-G194 WeakPolarHBondContact CA-O 3.44Å; G9-G194 PolarHBondContact N-O 2.85Å; C43-G194 PolarHBondContact SG-O 3.49Å; L190-G194 WeakPolarHBondContact CD1-O 3.4Å; K191-G194 PolarHBondContact O-N 2.66Å; L192-G194 VanDerWaalsContact C-N 3.29Å |
| 195 | K | 97.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | trans | -68.2 | 162.3 | 173.1 | -56.7 | -78.5 | 178.1 | 175.7 | 0 | 110.2 | G9 D11 D152 G153 F154 H169 K191 N193 | G9-K195 VanDerWaalsContact O-CD 3.3Å; G9-K195 WeakPolarHBondContact O-CD 3.13Å; G9-K195 WeakPolarHBondContact O-CE 3.31Å; G9-K195 PolarHBondContact O-NZ 2.84Å; D11-K195 VanDerWaalsContact CG-NZ 3.28Å; D11-K195 WeakPolarHBondContact OD1-CE 3.41Å; D11-K195 IonicContact OD1-NZ 3.01Å; D11-K195 PolarHBondContact OD1-NZ 3.25Å; D11-K195 IonicContact OD2-NZ 3.23Å; D11-K195 PolarHBondContact OD2-NZ 2.69Å; D152-K195 WeakPolarHBondContact OD2-CE 3.26Å; D152-K195 IonicContact OD2-NZ 3.2Å; D152-K195 PolarHBondContact OD2-NZ 3.35Å; G153-K195 WeakPolarHBondContact O-CA 3.14Å; F154-K195 HydrophobicContact CB-CD 4.23Å; H169-K195 PolarHBondContact CE1-NZ 3.09Å; K191-K195 WeakPolarHBondContact CB-O 3.35Å; K191-K195 PolarHBondContact N-O 3.25Å; N193-K195 VanDerWaalsContact C-N 3.26Å; N193-K195 PolarHBondContact O-N 3.49Å; N193-K195 WeakPolarHBondContact OD1-CB 3.46Å; N193-K195 PolarHBondContact OD1-N 2.85Å | ||
| 196 | V | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 156.6 | -177.1 | -57.8 | 0 | 0 | 0 | 0 | 113 | F8 V133 L149 G153 L155 F188 D189 L190 | F8-V196 HydrophobicContact CB-CG1 3.7Å; F8-V196 HydrophobicContact CG-CG1 4.22Å; V133-V196 HydrophobicContact CG2-CG1 4.1Å; L149-V196 HydrophobicContact CD1-CG2 4.01Å; G153-V196 WeakPolarHBondContact CA-O 3.08Å; G153-V196 WeakPolarHBondContact O-CG2 3.32Å; G153-V196 PolarHBondContact O-N 3.44Å; L155-V196 HydrophobicContact CB-CG2 3.39Å; L155-V196 HydrophobicContact CD2-CG2 3.86Å; L155-V196 HydrophobicContact CG-CG2 4.22Å; F188-V196 HydrophobicContact CB-CB 3.89Å; F188-V196 HydrophobicContact CB-CG1 4.46Å; F188-V196 HydrophobicContact CB-CG2 4.39Å; F188-V196 HydrophobicContact CD1-CB 4.15Å; F188-V196 HydrophobicContact CD1-CG2 3.75Å; F188-V196 HydrophobicContact CE1-CG2 4.37Å; F188-V196 HydrophobicContact CG-CB 4.34Å; F188-V196 HydrophobicContact CG-CG2 4.3Å; D189-V196 CarbonylContact O-C 3.52Å; D189-V196 WeakPolarHBondContact O-CA 3.45Å; L190-V196 HydrophobicContact CD1-CG1 4.04Å |
| 197 | Q | 98.1 | Very high | 97 | Very high | 105 Ų | 105 | 45.1 Ų | 45.1 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 123.3 | 171.7 | -178.1 | 180 | 17.9 | 0 | 0 | 109.2 | F188 D189 V199 | F188-Q197 CarbonylContact C-O 3.55Å; F188-Q197 WeakPolarHBondContact CA-O 3.41Å; D189-Q197 HydrophobicContact CB-CB 4.48Å; D189-Q197 PolarHBondContact N-O 3.07Å; D189-Q197 PolarHBondContact O-N 3.42Å; Q197-V199 PolarHBondContact O-N 3.11Å |
| 198 | S | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.3 | 175.1 | -171 | 0 | 0 | 0 | 0 | 109.6 | E186 | E186-S198 WeakPolarHBondContact OE1-CB 3.15Å; E186-S198 PolarHBondContact OE1-OG 3.46Å |
| 199 | V | 98.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -18.6 | -177.7 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | V187 D189 Q197 | V187-V199 HydrophobicContact CB-CG2 3.95Å; V187-V199 HydrophobicContact CG1-CG2 3.82Å; V187-V199 WeakPolarHBondContact O-CG2 3.48Å; V187-V199 PolarHBondContact O-N 2.68Å; D189-V199 HydrophobicContact CB-CG1 4.37Å; Q197-V199 PolarHBondContact O-N 3.11Å |
| 200 | Q | 98.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 135.7 | -178.3 | -173.5 | -177.8 | 3.4 | 0 | 0 | 109.7 | F185 E186 V187 E202 | F185-Q200 HydrophobicContact CE2-CG 4.39Å; E186-Q200 CarbonylContact C-O 3.57Å; E186-Q200 VanDerWaalsContact CA-O 3.3Å; E186-Q200 WeakPolarHBondContact CA-O 3.2Å; E186-Q200 WeakPolarHBondContact CG-O 3.37Å; V187-Q200 HydrophobicContact CB-CB 3.95Å; V187-Q200 HydrophobicContact CG2-CB 3.93Å; V187-Q200 HydrophobicContact CG2-CG 4.39Å; V187-Q200 PolarHBondContact N-O 3.44Å; V187-Q200 PolarHBondContact O-N 3.34Å; Q200-E202 HydrophobicContact CG-CG 3.93Å; Q200-E202 WeakPolarHBondContact CG-OE1 3.47Å; Q200-E202 PolarHBondContact NE2-OE1 2.97Å; Q200-E202 PolarHBondContact NE2-OE2 2.99Å; Q200-E202 VanDerWaalsContact NE2-OE2 3.11Å |
| 201 | F | 98.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 60 Ų | 60 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 108.7 | 173 | -176.4 | -120.5 | 0 | 0 | 0 | 108.9 | F180 L181 Y184 F185 E186 | F180-F201 HydrophobicContact CE1-CE2 4.46Å; F180-F201 HydrophobicContact CE2-CE2 4.12Å; F180-F201 AromaticContact CZ-CE2 3.92Å; F180-F201 HydrophobicContact CZ-CE2 3.92Å; L181-F201 HydrophobicContact CB-CZ 4.08Å; L181-F201 HydrophobicContact CD1-CE1 3.87Å; L181-F201 HydrophobicContact CD1-CZ 3.82Å; L181-F201 HydrophobicContact CG-CZ 4.03Å; Y184-F201 HydrophobicContact CD1-CD1 4.2Å; Y184-F201 HydrophobicContact CD1-CD2 4.47Å; Y184-F201 AromaticContact CD1-CE1 3.78Å; Y184-F201 HydrophobicContact CD1-CE1 3.78Å; Y184-F201 HydrophobicContact CD1-CE2 4.08Å; Y184-F201 AromaticContact CD1-CZ 3.72Å; Y184-F201 HydrophobicContact CD1-CZ 3.72Å; Y184-F201 HydrophobicContact CE1-CE1 4.16Å; Y184-F201 HydrophobicContact CE1-CZ 4.47Å; Y184-F201 HydrophobicContact CG-CE1 4.38Å; Y184-F201 HydrophobicContact CG-CE2 4.17Å; Y184-F201 AromaticContact CG-CZ 3.89Å; Y184-F201 HydrophobicContact CG-CZ 3.89Å; F185-F201 WeakPolarHBondContact O-CD2 3.47Å; E186-F201 HydrophobicContact CB-CD2 3.78Å; E186-F201 HydrophobicContact CB-CE2 4.4Å; E186-F201 HydrophobicContact CG-CB 4.31Å; E186-F201 HydrophobicContact CG-CD2 3.91Å |
| 202 | E | 98.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.4 | -167.8 | -79.4 | -177.4 | -157.1 | 0 | 0 | 113 | Y184 F185 Q200 | Y184-E202 CarbonylContact C-O 3.6Å; Y184-E202 VanDerWaalsContact CA-O 3.26Å; Y184-E202 WeakPolarHBondContact CA-O 3.5Å; Y184-E202 WeakPolarHBondContact CD1-O 3.25Å; F185-E202 HydrophobicContact CE1-CB 3.82Å; F185-E202 HydrophobicContact CE2-CB 4.45Å; F185-E202 HydrophobicContact CZ-CB 3.77Å; F185-E202 PolarHBondContact N-O 3.44Å; F185-E202 PolarHBondContact O-N 2.62Å; Q200-E202 HydrophobicContact CG-CG 3.93Å; Q200-E202 WeakPolarHBondContact CG-OE1 3.47Å; Q200-E202 PolarHBondContact NE2-OE1 2.97Å; Q200-E202 PolarHBondContact NE2-OE2 2.99Å; Q200-E202 VanDerWaalsContact NE2-OE2 3.11Å |
| 203 | Q | 97.8 | Very high | 95 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.7 | 172.8 | -166.1 | 170.1 | 44.3 | 0 | 0 | 109.6 | G183 Y184 H205 | G183-Q203 CarbonylContact O-C 3.51Å; G183-Q203 WeakPolarHBondContact O-CA 3.47Å; G183-Q203 WeakPolarHBondContact O-CG 3.42Å; Y184-Q203 HydrophobicContact CD1-CB 4Å; Y184-Q203 HydrophobicContact CD2-CB 4.43Å; Y184-Q203 HydrophobicContact CD2-CG 4.27Å; Y184-Q203 HydrophobicContact CE1-CB 3.58Å; Y184-Q203 HydrophobicContact CE1-CG 4.32Å; Y184-Q203 HydrophobicContact CE2-CB 4.05Å; Y184-Q203 HydrophobicContact CE2-CG 3.86Å; Y184-Q203 HydrophobicContact CG-CB 4.38Å; Q203-H205 WeakPolarHBondContact CG-O 3.32Å; Q203-H205 PolarHBondContact NE2-O 3.2Å |
| 204 | F | 97.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -87.1 | -24.6 | 173 | 69.3 | -93.4 | 0 | 0 | 0 | 112.2 | A114 F121 R137 G183 Y184 F185 | A114-F204 HydrophobicContact CB-CB 4.04Å; A114-F204 HydrophobicContact CB-CD1 3.79Å; A114-F204 HydrophobicContact CB-CD2 3.97Å; A114-F204 HydrophobicContact CB-CE1 4.22Å; A114-F204 HydrophobicContact CB-CE2 4.39Å; A114-F204 HydrophobicContact CB-CG 3.66Å; A114-F204 WeakPolarHBondContact O-CD2 3.34Å; A114-F204 WeakPolarHBondContact O-CE2 3.31Å; F121-F204 HydrophobicContact CE2-CZ 4.11Å; F121-F204 HydrophobicContact CZ-CE2 4.19Å; F121-F204 AromaticContact CZ-CZ 3.72Å; F121-F204 HydrophobicContact CZ-CZ 3.72Å; R137-F204 VanDerWaalsContact O-CE1 3.25Å; R137-F204 WeakPolarHBondContact O-CE1 3.49Å; R137-F204 WeakPolarHBondContact O-CZ 3.48Å; G183-F204 VanDerWaalsContact C-CD1 3.43Å; G183-F204 WeakPolarHBondContact O-CD1 3.33Å; G183-F204 WeakPolarHBondContact O-CE1 3.29Å; G183-F204 PolarHBondContact O-N 3.27Å; Y184-F204 WeakPolarHBondContact O-CE1 3.16Å; F185-F204 HydrophobicContact CD1-CB 4.09Å; F185-F204 HydrophobicContact CD1-CD1 4.28Å; F185-F204 HydrophobicContact CE1-CB 4.34Å |
| 205 | H | 96.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | trans | -156.2 | 152.6 | 179.9 | -175.2 | -113.2 | 0 | 0 | 0 | 112.8 | T139 G183 Q203 R209 | T139-H205 WeakPolarHBondContact CG2-ND1 3.38Å; T139-H205 PolarHBondContact OG1-ND1 2.94Å; G183-H205 PolarHBondContact O-N 3.4Å; Q203-H205 WeakPolarHBondContact CG-O 3.32Å; Q203-H205 PolarHBondContact NE2-O 3.2Å; H205-R209 PolarHBondContact NE2-O 3.05Å | ||
| 206 | C | 90.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | trans | -139.3 | 154.6 | 169 | 70.9 | 0 | 0 | 0 | 0 | 109.9 | T208 R209 | C206-T208 PolarHBondContact O-N 3.42Å; C206-T208 PolarHBondContact SG-OG1 3.31Å; C206-T208 VanDerWaalsContact SG-OG1 3.34Å; C206-R209 PolarHBondContact O-N 2.86Å; C206-R209 VanDerWaalsContact O-N 3.11Å; C206-R209 VanDerWaalsContact SG-CD 3.58Å; C206-R209 VanDerWaalsContact SG-CG 3.58Å | ||
| 207 | C | 87.5 | Confident | 92.8 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.7 | -175.6 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | Y140 L430 | Y140-C207 HydrophobicContact CD1-CB 4.5Å; Y140-C207 HydrophobicContact CE1-CB 3.45Å; Y140-C207 VanDerWaalsContact CE1-CB 3.45Å; Y140-C207 WeakPolarHBondContact OH-CB 3.44Å; C207-L430 HydrophobicContact CB-CD1 4.24Å; C207-L430 WeakPolarHBondContact O-CD1 3.2Å |
| 208 | T | 86.7 | Confident | 91.6 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 8.7 | -178.5 | 65 | 0 | 0 | 0 | 0 | 113.6 | C206 I391 | C206-T208 PolarHBondContact O-N 3.42Å; C206-T208 PolarHBondContact SG-OG1 3.31Å; C206-T208 VanDerWaalsContact SG-OG1 3.34Å; T208-I391 HydrophobicContact CG2-CD1 3.74Å; T208-I391 HydrophobicContact CG2-CG1 3.94Å; T208-I391 HydrophobicContact CG2-CG2 3.93Å |
| 209 | R | 89.3 | Confident | 90.6 | Very high | 147 Ų | 147 | 57.3 Ų | 57.3 | 56% | 0.555 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -119.5 | 149.3 | 178.9 | -68.7 | 176.2 | -173.1 | 175.1 | 4.1 | 109.6 | H205 C206 | H205-R209 PolarHBondContact NE2-O 3.05Å; C206-R209 PolarHBondContact O-N 2.86Å; C206-R209 VanDerWaalsContact O-N 3.11Å; C206-R209 VanDerWaalsContact SG-CD 3.58Å; C206-R209 VanDerWaalsContact SG-CG 3.58Å |
| 210 | E | 90.5 | Very high | 89.3 | Confident | 137 Ų | 137 | 62.7 Ų | 62.7 | 64% | 0.64 | 31% | 0.314 | S | S | * | . | trans | -67 | 131.3 | 168.7 | -169.4 | 171.5 | -158.8 | 0 | 0 | 109 | A214 R424 | E210-A214 HydrophobicContact CG-CB 4.05Å; E210-R424 IonicContact OE1-CZ 3.72Å; E210-R424 IonicContact OE1-NH1 2.79Å; E210-R424 PolarHBondContact OE1-NH1 2.55Å | ||
| 211 | P | 93.4 | Very high | 87.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | trans | -68.9 | 139.9 | -178.2 | 28.6 | -37.3 | 0 | 0 | 0 | 110.9 | H213 A214 H423 | P211-H213 VanDerWaalsContact CB-NE2 3.35Å; P211-H213 WeakPolarHBondContact CB-NE2 3.44Å; P211-H213 PolarHBondContact O-N 2.69Å; P211-H213 VanDerWaalsContact O-N 3.1Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.46Å; P211-A214 PolarHBondContact O-N 3.21Å; P211-H423 HydrophobicContact CB-CB 4.04Å; P211-H423 HydrophobicContact CG-CB 3.81Å | ||
| 212 | A | 94.9 | Very high | 86.8 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L116 A214 | L116-A212 HydrophobicContact CD2-CB 4.49Å; A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.34Å |
| 213 | H | 94 | Very high | 85.9 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.023 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -73.8 | -12.3 | 174.3 | 68.9 | 69.1 | 0 | 0 | 0 | 114.3 | L116 L117 D118 P211 L215 Y216 H423 | L116-H213 VanDerWaalsContact O-CB 3.27Å; L116-H213 WeakPolarHBondContact O-CB 3.49Å; L117-H213 PolarHBondContact O-CD2 2.77Å; D118-H213 VanDerWaalsContact CB-CE1 3.43Å; D118-H213 WeakPolarHBondContact CB-CE1 3.47Å; D118-H213 IonicContact OD1-CE1 3.88Å; D118-H213 PolarHBondContact OD1-CE1 3.19Å; D118-H213 VanDerWaalsContact OD1-CE1 3.23Å; D118-H213 IonicContact OD1-NE2 2.8Å; D118-H213 PolarHBondContact OD1-NE2 3.49Å; D118-H213 IonicContact OD2-CE1 3.95Å; P211-H213 VanDerWaalsContact CB-NE2 3.35Å; P211-H213 WeakPolarHBondContact CB-NE2 3.44Å; P211-H213 PolarHBondContact O-N 2.69Å; P211-H213 VanDerWaalsContact O-N 3.1Å; H213-L215 PolarHBondContact O-N 3.07Å; H213-Y216 PolarHBondContact O-N 3.24Å; H213-H423 AromaticContact CE1-ND1 3.94Å; H213-H423 WeakPolarHBondContact NE2-CB 3.4Å; H213-H423 AromaticContact NE2-CG 3.54Å; H213-H423 AromaticContact NE2-ND1 3.07Å; H213-H423 PolarHBondContact NE2-ND1 3.15Å |
| 214 | A | 90.9 | Very high | 84.9 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -54.1 | -28.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E210 P211 A212 Y216 D217 R424 | E210-A214 HydrophobicContact CG-CB 4.05Å; P211-A214 HydrophobicContact CG-CB 4.32Å; P211-A214 WeakPolarHBondContact O-CB 3.46Å; P211-A214 PolarHBondContact O-N 3.21Å; A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.34Å; A214-Y216 PolarHBondContact O-N 2.94Å; A214-D217 WeakPolarHBondContact O-CB 3.06Å; A214-D217 PolarHBondContact O-N 3.44Å; A214-R424 VanDerWaalsContact CB-NH1 3.34Å |
| 215 | L | 86.8 | Confident | 84.5 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 72% | 0.723 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -63.3 | -15.9 | 175.5 | -63.3 | 173.6 | 0 | 0 | 0 | 114.1 | H213 | H213-L215 PolarHBondContact O-N 3.07Š|
| 216 | Y | 85.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -121.4 | 12.8 | -177.5 | -48 | -73.6 | 0 | 0 | 0 | 112 | L84 K87 F88 L116 H213 A214 | L84-Y216 HydrophobicContact CD2-CD2 4.16Å; L84-Y216 HydrophobicContact CD2-CG 4.29Å; K87-Y216 HydrophobicContact CD-CD1 4.15Å; K87-Y216 HydrophobicContact CD-CE1 4.25Å; K87-Y216 HydrophobicContact CG-CD1 3.69Å; K87-Y216 HydrophobicContact CG-CE1 3.78Å; F88-Y216 AromaticContact CZ-CE1 3.94Å; F88-Y216 HydrophobicContact CZ-CE1 3.94Å; F88-Y216 HydrophobicContact CZ-CE2 4.39Å; F88-Y216 AromaticContact CZ-CZ 3.73Å; L116-Y216 HydrophobicContact CD2-CD2 4.05Å; L116-Y216 HydrophobicContact CD2-CE2 3.48Å; L116-Y216 VanDerWaalsContact CD2-CE2 3.48Å; H213-Y216 PolarHBondContact O-N 3.24Å; A214-Y216 PolarHBondContact O-N 2.94Å |
| 217 | D | 79.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | trans | -70.8 | 157.7 | 175.5 | -163.4 | -1.8 | 0 | 0 | 0 | 110.4 | A214 V219 N241 R424 | A214-D217 WeakPolarHBondContact O-CB 3.06Å; A214-D217 PolarHBondContact O-N 3.44Å; D217-V219 PolarHBondContact OD1-N 3.43Å; D217-N241 PolarHBondContact OD1-ND2 3.35Å; D217-R424 WeakPolarHBondContact OD2-CG 3.43Å; D217-R424 IonicContact OD2-CZ 3.53Å; D217-R424 IonicContact OD2-NE 3.56Å; D217-R424 PolarHBondContact OD2-NE 3.04Å | ||
| 218 | T | 71.3 | Confident | 84.7 | Confident | 109 Ų | 109 | 74.3 Ų | 74.3 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -93.1 | -10.1 | 177.9 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | E220 | T218-E220 PolarHBondContact O-N 2.87Å; T218-E220 VanDerWaalsContact O-N 3.1Å |
| 219 | V | 78.2 | Confident | 85.1 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | trans | -79.6 | 91.3 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 110 | D217 L222 T237 L238 N241 | D217-V219 PolarHBondContact OD1-N 3.43Å; V219-L222 HydrophobicContact CG1-CD1 4.32Å; V219-L222 HydrophobicContact CG1-CD2 4.26Å; V219-L222 HydrophobicContact CG1-CG 4.09Å; V219-T237 HydrophobicContact CG1-CG2 3.74Å; V219-L238 HydrophobicContact CG1-CD2 4.49Å; V219-N241 HydrophobicContact CG2-CB 3.69Å; V219-N241 WeakPolarHBondContact CG2-ND2 3.35Å | ||
| 220 | E | 70.1 | Confident | 85.4 | Confident | 184 Ų | 184 | 70.5 Ų | 70.5 | 86% | 0.86 | 40% | 0.4 | S | S | * | . | trans | -77.6 | 147.1 | 170.4 | -64.8 | -174.8 | 173.9 | 0 | 0 | 111.5 | T218 | T218-E220 PolarHBondContact O-N 2.87Å; T218-E220 VanDerWaalsContact O-N 3.1Å | ||
| 221 | G | 63.2 | Low | 85.7 | Confident | 75 Ų | 75 | 64 Ų | 64 | 77% | 0.773 | 37% | 0.37 | S | S | * | . | trans | 84.4 | 25.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | S223 | G221-S223 PolarHBondContact O-N 3.11Š| ||
| 222 | L | 79.5 | Confident | 85.9 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | trans | -66.7 | 115.3 | 167.1 | -66.4 | 173.2 | 0 | 0 | 0 | 109.6 | V219 N234 L238 | V219-L222 HydrophobicContact CG1-CD1 4.32Å; V219-L222 HydrophobicContact CG1-CD2 4.26Å; V219-L222 HydrophobicContact CG1-CG 4.09Å; L222-N234 HydrophobicContact CD2-CB 3.91Å; L222-L238 HydrophobicContact CD1-CD1 4.06Å; L222-L238 HydrophobicContact CD1-CD2 3.83Å; L222-L238 HydrophobicContact CD1-CG 4.11Å; L222-L238 HydrophobicContact CD2-CG 4.25Å | ||
| 223 | S | 79.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | trans | -67.4 | 135.4 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | G221 D225 N234 | G221-S223 PolarHBondContact O-N 3.11Å; S223-D225 PolarHBondContact O-N 3.47Å; S223-D225 WeakPolarHBondContact OG-CB 3.24Å; S223-D225 PolarHBondContact OG-N 3Å; S223-N234 PolarHBondContact O-ND2 2.97Å | ||
| 224 | S | 78.3 | Confident | 86 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 79% | 0.79 | 38% | 0.378 | S | S | * | . | trans | -79.7 | -0.8 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | D | 87.5 | Confident | 86.3 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | trans | -70.5 | 139.2 | 173.9 | 172.4 | 53 | 0 | 0 | 0 | 111.1 | S223 G227 T230 | S223-D225 PolarHBondContact O-N 3.47Å; S223-D225 WeakPolarHBondContact OG-CB 3.24Å; S223-D225 PolarHBondContact OG-N 3Å; D225-G227 VanDerWaalsContact CG-N 3.28Å; D225-G227 PolarHBondContact OD1-N 2.71Å; D225-G227 WeakPolarHBondContact OD2-CA 3.2Å; D225-G227 PolarHBondContact OD2-N 3.08Å; D225-T230 HydrophobicContact CB-CG2 4.33Å; D225-T230 VanDerWaalsContact O-CG2 3.27Å; D225-T230 WeakPolarHBondContact O-CG2 3.36Å; D225-T230 PolarHBondContact OD2-OG1 2.88Å; D225-T230 VanDerWaalsContact OD2-OG1 3.14Å | ||
| 226 | F | 90.9 | Very high | 86.9 | Confident | 91 Ų | 91 | 64 Ų | 64 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | trans | -98 | 17.3 | 177.1 | -63.5 | -64.8 | 0 | 0 | 0 | 112.8 | V231 L432 P433 | F226-V231 HydrophobicContact CB-CG2 4.41Å; F226-V231 HydrophobicContact CD1-CG2 4.31Å; F226-L432 HydrophobicContact CD1-CD2 3.75Å; F226-L432 HydrophobicContact CE1-CD2 3.84Å; F226-P433 HydrophobicContact CG-CG 4.35Å | ||
| 227 | G | 94.4 | Very high | 87.4 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | trans | -54.9 | 138.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D225 E229 T230 V231 | D225-G227 VanDerWaalsContact CG-N 3.28Å; D225-G227 PolarHBondContact OD1-N 2.71Å; D225-G227 WeakPolarHBondContact OD2-CA 3.2Å; D225-G227 PolarHBondContact OD2-N 3.08Å; G227-E229 PolarHBondContact O-N 3.36Å; G227-T230 WeakPolarHBondContact O-CA 3.45Å; G227-T230 VanDerWaalsContact O-CB 3.25Å; G227-T230 WeakPolarHBondContact O-CB 3.28Å; G227-T230 PolarHBondContact O-N 3.36Å; G227-V231 PolarHBondContact O-N 3.48Å | ||
| 228 | E | 93.8 | Very high | 88.2 | Confident | 113 Ų | 113 | 62.4 Ų | 62.4 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55 | -46.8 | -168.4 | -165 | -171.6 | 135 | 0 | 0 | 113.3 | T230 V231 K232 | E228-T230 VanDerWaalsContact C-N 3.34Å; E228-T230 PolarHBondContact O-N 3.21Å; E228-V231 PolarHBondContact O-N 2.87Å; E228-K232 HydrophobicContact CG-CD 4.4Å; E228-K232 VanDerWaalsContact O-CG 3.3Å; E228-K232 WeakPolarHBondContact O-CG 3.01Å; E228-K232 PolarHBondContact O-N 3.19Å; E228-K232 IonicContact OE1-NZ 2.84Å; E228-K232 PolarHBondContact OE1-NZ 2.98Å |
| 229 | E | 94.8 | Very high | 89.5 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.6 | -34.9 | 177.1 | -70.6 | -54.5 | 137.5 | 0 | 0 | 113.1 | G227 K232 R233 | G227-E229 PolarHBondContact O-N 3.36Å; E229-K232 VanDerWaalsContact CD-CE 3.45Å; E229-K232 WeakPolarHBondContact OE1-CE 3.48Å; E229-K232 IonicContact OE1-NZ 2.74Å; E229-K232 PolarHBondContact OE1-NZ 3.43Å; E229-R233 WeakPolarHBondContact O-CB 3.32Å; E229-R233 PolarHBondContact O-N 2.86Å |
| 230 | T | 95.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 174 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | D225 G227 E228 R233 N234 | D225-T230 HydrophobicContact CB-CG2 4.33Å; D225-T230 VanDerWaalsContact O-CG2 3.27Å; D225-T230 WeakPolarHBondContact O-CG2 3.36Å; D225-T230 PolarHBondContact OD2-OG1 2.88Å; D225-T230 VanDerWaalsContact OD2-OG1 3.14Å; G227-T230 WeakPolarHBondContact O-CA 3.45Å; G227-T230 VanDerWaalsContact O-CB 3.25Å; G227-T230 WeakPolarHBondContact O-CB 3.28Å; G227-T230 PolarHBondContact O-N 3.36Å; E228-T230 VanDerWaalsContact C-N 3.34Å; E228-T230 PolarHBondContact O-N 3.21Å; T230-R233 PolarHBondContact O-N 2.83Å; T230-N234 WeakPolarHBondContact O-CB 3.36Å; T230-N234 PolarHBondContact O-N 2.65Å; T230-N234 PolarHBondContact O-OD1 3.05Å |
| 231 | V | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -49.3 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | F226 G227 E228 R233 N234 I235 Y428 L432 M436 L447 | F226-V231 HydrophobicContact CB-CG2 4.41Å; F226-V231 HydrophobicContact CD1-CG2 4.31Å; G227-V231 PolarHBondContact O-N 3.48Å; E228-V231 PolarHBondContact O-N 2.87Å; V231-R233 VanDerWaalsContact C-N 3.31Å; V231-R233 PolarHBondContact O-N 3.07Å; V231-N234 PolarHBondContact O-N 2.93Å; V231-I235 HydrophobicContact CG1-CD1 3.86Å; V231-I235 HydrophobicContact CG1-CG1 4.43Å; V231-I235 WeakPolarHBondContact O-CG1 3.35Å; V231-I235 PolarHBondContact O-N 3.45Å; V231-Y428 WeakPolarHBondContact CA-OH 3.32Å; V231-L432 HydrophobicContact CB-CD2 4.47Å; V231-L432 HydrophobicContact CG1-CD1 3.81Å; V231-L432 HydrophobicContact CG1-CD2 3.75Å; V231-L432 HydrophobicContact CG1-CG 4.47Å; V231-L432 HydrophobicContact CG2-CD2 3.9Å; V231-M436 HydrophobicContact CB-CE 4.24Å; V231-M436 HydrophobicContact CG1-CE 4.24Å; V231-M436 HydrophobicContact CG2-CE 3.98Å; V231-L447 HydrophobicContact CG1-CD1 4.15Å; V231-L447 HydrophobicContact CG1-CD2 4.11Å |
| 232 | K | 97.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 178.6 | -70.3 | -175.9 | -59.5 | -161.9 | 0 | 111.8 | E228 E229 R236 L447 D450 | E228-K232 HydrophobicContact CG-CD 4.4Å; E228-K232 VanDerWaalsContact O-CG 3.3Å; E228-K232 WeakPolarHBondContact O-CG 3.01Å; E228-K232 PolarHBondContact O-N 3.19Å; E228-K232 IonicContact OE1-NZ 2.84Å; E228-K232 PolarHBondContact OE1-NZ 2.98Å; E229-K232 VanDerWaalsContact CD-CE 3.45Å; E229-K232 WeakPolarHBondContact OE1-CE 3.48Å; E229-K232 IonicContact OE1-NZ 2.74Å; E229-K232 PolarHBondContact OE1-NZ 3.43Å; K232-R236 WeakPolarHBondContact O-CG 3.26Å; K232-R236 PolarHBondContact O-N 3.45Å; K232-R236 PolarHBondContact O-NH1 2.92Å; K232-L447 HydrophobicContact CG-CD1 4.35Å; K232-D450 HydrophobicContact CD-CB 4.34Å; K232-D450 WeakPolarHBondContact CD-OD2 3.48Å; K232-D450 IonicContact NZ-OD2 2.9Å; K232-D450 PolarHBondContact NZ-OD2 3.21Å |
| 233 | R | 96 | Very high | 94.3 | Very high | 120 Ų | 120 | 44 Ų | 44 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 174.4 | -177.8 | -177 | 62.8 | -166.9 | -5.4 | 112.1 | E229 T230 V231 I235 R236 T237 | E229-R233 WeakPolarHBondContact O-CB 3.32Å; E229-R233 PolarHBondContact O-N 2.86Å; T230-R233 PolarHBondContact O-N 2.83Å; V231-R233 VanDerWaalsContact C-N 3.31Å; V231-R233 PolarHBondContact O-N 3.07Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 3.19Å; R233-R236 WeakPolarHBondContact O-CB 2.93Å; R233-R236 PolarHBondContact O-N 3.48Å; R233-T237 PolarHBondContact O-N 2.84Å; R233-T237 PolarHBondContact O-OG1 2.63Å |
| 234 | N | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | -178.8 | -71.1 | -4.5 | 0 | 0 | 0 | 111.7 | L222 S223 T230 V231 R236 T237 L238 Y428 | L222-N234 HydrophobicContact CD2-CB 3.91Å; S223-N234 PolarHBondContact O-ND2 2.97Å; T230-N234 WeakPolarHBondContact O-CB 3.36Å; T230-N234 PolarHBondContact O-N 2.65Å; T230-N234 PolarHBondContact O-OD1 3.05Å; V231-N234 PolarHBondContact O-N 2.93Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 2.88Å; N234-T237 PolarHBondContact O-N 2.91Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 WeakPolarHBondContact O-CG 3.48Å; N234-L238 PolarHBondContact O-N 3.38Å; N234-Y428 HydrophobicContact CB-CD1 4.34Å; N234-Y428 HydrophobicContact CB-CE1 3.52Å; N234-Y428 HydrophobicContact CB-CE2 4.09Å; N234-Y428 WeakPolarHBondContact CB-OH 2.96Å; N234-Y428 PolarHBondContact ND2-OH 3.36Å |
| 235 | I | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 173 | -73.3 | 171.5 | 0 | 0 | 0 | 110.2 | V231 R233 F239 F425 Y428 Y429 L432 L447 L448 S451 F452 | V231-I235 HydrophobicContact CG1-CD1 3.86Å; V231-I235 HydrophobicContact CG1-CG1 4.43Å; V231-I235 WeakPolarHBondContact O-CG1 3.35Å; V231-I235 PolarHBondContact O-N 3.45Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 3.19Å; I235-F239 VanDerWaalsContact O-CB 3.24Å; I235-F239 WeakPolarHBondContact O-CB 3.32Å; I235-F239 PolarHBondContact O-N 2.83Å; I235-F425 HydrophobicContact CG2-CE2 4.01Å; I235-F425 HydrophobicContact CG2-CZ 4.4Å; I235-Y428 HydrophobicContact CG1-CD1 4.47Å; I235-Y428 HydrophobicContact CG1-CE1 4.11Å; I235-Y429 HydrophobicContact CD1-CD2 4.15Å; I235-Y429 HydrophobicContact CD1-CE2 3.96Å; I235-Y429 HydrophobicContact CG1-CD2 4.33Å; I235-L432 HydrophobicContact CD1-CD1 4.4Å; I235-L447 HydrophobicContact CD1-CD1 4.3Å; I235-L447 HydrophobicContact CD1-CD2 3.85Å; I235-L447 HydrophobicContact CD1-CG 3.77Å; I235-L448 HydrophobicContact CG2-CD1 4.18Å; I235-S451 WeakPolarHBondContact CD1-OG 3.47Å; I235-F452 HydrophobicContact CG2-CE2 4.46Å |
| 236 | R | 97.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 178.2 | -68.9 | -173.6 | -65.3 | -93.7 | 6.2 | 112.6 | K232 R233 N234 L238 F239 E240 S451 F452 L455 | K232-R236 WeakPolarHBondContact O-CG 3.26Å; K232-R236 PolarHBondContact O-N 3.45Å; K232-R236 PolarHBondContact O-NH1 2.92Å; R233-R236 WeakPolarHBondContact O-CB 2.93Å; R233-R236 PolarHBondContact O-N 3.48Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 2.88Å; R236-L238 PolarHBondContact O-N 3.05Å; R236-F239 PolarHBondContact O-N 3.18Å; R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.28Å; R236-E240 PolarHBondContact O-N 3.2Å; R236-S451 WeakPolarHBondContact CD-O 3.24Å; R236-S451 VanDerWaalsContact CG-O 3.31Å; R236-S451 WeakPolarHBondContact CG-O 3.38Å; R236-S451 PolarHBondContact NH1-O 3.13Å; R236-F452 HydrophobicContact CG-CD1 4.19Å; R236-F452 HydrophobicContact CG-CE1 3.91Å; R236-F452 HydrophobicContact CG-CZ 4.29Å; R236-L455 HydrophobicContact CG-CD1 4.47Å |
| 237 | T | 96.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 35% | 0.35 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | -178.9 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | V219 R233 N234 N241 | V219-T237 HydrophobicContact CG1-CG2 3.74Å; R233-T237 PolarHBondContact O-N 2.84Å; R233-T237 PolarHBondContact O-OG1 2.63Å; N234-T237 PolarHBondContact O-N 2.91Å; T237-N241 WeakPolarHBondContact O-CB 3.5Å; T237-N241 PolarHBondContact O-N 2.96Å |
| 238 | L | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.3 | -39.1 | 179.8 | -74.1 | 173 | 0 | 0 | 0 | 112.4 | V219 L222 N234 R236 N241 A242 R424 F425 Y428 | V219-L238 HydrophobicContact CG1-CD2 4.49Å; L222-L238 HydrophobicContact CD1-CD1 4.06Å; L222-L238 HydrophobicContact CD1-CD2 3.83Å; L222-L238 HydrophobicContact CD1-CG 4.11Å; L222-L238 HydrophobicContact CD2-CG 4.25Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 WeakPolarHBondContact O-CG 3.48Å; N234-L238 PolarHBondContact O-N 3.38Å; R236-L238 PolarHBondContact O-N 3.05Å; L238-N241 PolarHBondContact O-N 2.49Å; L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.98Å; L238-R424 HydrophobicContact CD2-CB 3.9Å; L238-F425 HydrophobicContact CB-CB 4.4Å; L238-F425 HydrophobicContact CB-CD2 3.82Å; L238-Y428 HydrophobicContact CD1-CD1 3.61Å; L238-Y428 HydrophobicContact CD1-CD2 4.18Å; L238-Y428 HydrophobicContact CD1-CG 3.4Å |
| 239 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.5 | -173.2 | -108.4 | 0 | 0 | 0 | 111.6 | I235 R236 N241 A242 V243 L265 V266 M269 P419 F420 F425 F452 | I235-F239 VanDerWaalsContact O-CB 3.24Å; I235-F239 WeakPolarHBondContact O-CB 3.32Å; I235-F239 PolarHBondContact O-N 2.83Å; R236-F239 PolarHBondContact O-N 3.18Å; F239-N241 PolarHBondContact O-N 3.21Å; F239-A242 WeakPolarHBondContact O-CB 3.38Å; F239-A242 PolarHBondContact O-N 3.2Å; F239-V243 HydrophobicContact CE1-CG2 4.26Å; F239-V243 HydrophobicContact CZ-CG2 4.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.46Å; F239-V243 PolarHBondContact O-N 3.42Å; F239-L265 HydrophobicContact CE1-CB 4.15Å; F239-L265 HydrophobicContact CZ-CB 4.19Å; F239-V266 HydrophobicContact CE2-CG2 4.31Å; F239-V266 HydrophobicContact CZ-CG2 3.77Å; F239-M269 HydrophobicContact CD1-CB 4.44Å; F239-M269 HydrophobicContact CD1-CE 4.2Å; F239-M269 HydrophobicContact CD1-CG 4.28Å; F239-M269 HydrophobicContact CE1-CB 3.95Å; F239-M269 HydrophobicContact CE1-CG 4.25Å; F239-P419 HydrophobicContact CE2-CG 4.46Å; F239-F420 HydrophobicContact CD2-CD1 4.46Å; F239-F420 HydrophobicContact CD2-CE1 4.21Å; F239-F420 HydrophobicContact CD2-CZ 4.41Å; F239-F420 HydrophobicContact CE2-CD1 4.06Å; F239-F420 HydrophobicContact CE2-CD2 4Å; F239-F420 AromaticContact CE2-CE1 3.74Å; F239-F420 HydrophobicContact CE2-CE1 3.74Å; F239-F420 AromaticContact CE2-CE2 3.7Å; F239-F420 HydrophobicContact CE2-CE2 3.7Å; F239-F420 HydrophobicContact CE2-CG 4.18Å; F239-F420 AromaticContact CE2-CZ 3.54Å; F239-F420 HydrophobicContact CE2-CZ 3.54Å; F239-F420 HydrophobicContact CZ-CE1 4.49Å; F239-F420 AromaticContact CZ-CE2 3.98Å; F239-F420 HydrophobicContact CZ-CE2 3.98Å; F239-F420 AromaticContact CZ-CZ 3.89Å; F239-F420 HydrophobicContact CZ-CZ 3.89Å; F239-F425 HydrophobicContact CB-CD2 4.07Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CE2 4.29Å; F239-F425 HydrophobicContact CD2-CZ 4.27Å; F239-F425 HydrophobicContact CG-CE2 4.49Å; F239-F452 HydrophobicContact CB-CZ 4.25Å; F239-F452 HydrophobicContact CD1-CE1 4.28Å; F239-F452 AromaticContact CD1-CZ 3.67Å; F239-F452 HydrophobicContact CD1-CZ 3.67Å; F239-F452 HydrophobicContact CE1-CZ 4.33Å; F239-F452 HydrophobicContact CG-CZ 4.16Å |
| 240 | E | 98 | Very high | 97.4 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 173.5 | -173.9 | 179.1 | 108.2 | 0 | 0 | 111.1 | R236 A242 V243 R244 M269 K272 L273 | R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.28Å; R236-E240 PolarHBondContact O-N 3.2Å; E240-A242 PolarHBondContact O-N 3.47Å; E240-V243 PolarHBondContact O-N 3.25Å; E240-R244 VanDerWaalsContact O-CB 3.31Å; E240-R244 WeakPolarHBondContact O-CB 3.25Å; E240-R244 PolarHBondContact O-N 3.36Å; E240-R244 IonicContact OE1-CZ 2.75Å; E240-R244 IonicContact OE1-NH1 2.85Å; E240-R244 PolarHBondContact OE1-NH1 3.11Å; E240-R244 VanDerWaalsContact OE1-NH1 3.12Å; E240-R244 IonicContact OE1-NH2 3.37Å; E240-R244 PolarHBondContact OE1-NH2 3.08Å; E240-M269 HydrophobicContact CB-CE 4.1Å; E240-M269 HydrophobicContact CB-SD 3.99Å; E240-M269 HydrophobicContact CG-CE 4.45Å; E240-M269 HydrophobicContact CG-SD 3.78Å; E240-K272 IonicContact OE2-NZ 3.96Å; E240-K272 PolarHBondContact OE2-NZ 2.76Å; E240-L273 HydrophobicContact CG-CD1 4.2Å; E240-L273 HydrophobicContact CG-CD2 3.89Å; E240-L273 HydrophobicContact CG-CG 4.46Å |
| 241 | N | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.9 | -172.8 | 48.4 | 0 | 0 | 0 | 112.5 | D217 V219 T237 L238 F239 V243 R244 K245 | D217-N241 PolarHBondContact OD1-ND2 3.35Å; V219-N241 HydrophobicContact CG2-CB 3.69Å; V219-N241 WeakPolarHBondContact CG2-ND2 3.35Å; T237-N241 WeakPolarHBondContact O-CB 3.5Å; T237-N241 PolarHBondContact O-N 2.96Å; L238-N241 PolarHBondContact O-N 2.49Å; F239-N241 PolarHBondContact O-N 3.21Å; N241-V243 VanDerWaalsContact C-N 3.31Å; N241-V243 PolarHBondContact O-N 3.22Å; N241-R244 PolarHBondContact O-N 2.72Å; N241-K245 WeakPolarHBondContact ND2-CE 2.94Å; N241-K245 WeakPolarHBondContact O-CE 3.4Å; N241-K245 WeakPolarHBondContact O-CG 3.22Å; N241-K245 PolarHBondContact O-N 3.32Å |
| 242 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L238 F239 E240 R246 P419 D422 | L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.98Å; F239-A242 WeakPolarHBondContact O-CB 3.38Å; F239-A242 PolarHBondContact O-N 3.2Å; E240-A242 PolarHBondContact O-N 3.47Å; A242-R246 WeakPolarHBondContact O-CD 3.34Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.42Å; A242-R246 PolarHBondContact O-NH1 2.8Å; A242-P419 HydrophobicContact CB-CB 4.09Å; A242-D422 HydrophobicContact CB-CB 3.44Å; A242-D422 VanDerWaalsContact CB-CB 3.44Å |
| 243 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.5 | -45.4 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | F239 E240 N241 K245 R246 L247 M269 L270 L273 F362 P419 | F239-V243 HydrophobicContact CE1-CG2 4.26Å; F239-V243 HydrophobicContact CZ-CG2 4.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.46Å; F239-V243 PolarHBondContact O-N 3.42Å; E240-V243 PolarHBondContact O-N 3.25Å; N241-V243 VanDerWaalsContact C-N 3.31Å; N241-V243 PolarHBondContact O-N 3.22Å; V243-K245 PolarHBondContact O-N 3.48Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.3Å; V243-R246 WeakPolarHBondContact O-CB 3.07Å; V243-R246 PolarHBondContact O-N 3.37Å; V243-R246 VanDerWaalsContact O-N 3.1Å; V243-L247 PolarHBondContact O-N 3.34Å; V243-M269 HydrophobicContact CB-CG 3.96Å; V243-M269 HydrophobicContact CG1-CG 4.19Å; V243-M269 HydrophobicContact CG2-CB 4.24Å; V243-M269 HydrophobicContact CG2-CG 3.86Å; V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.27Å; V243-L273 HydrophobicContact CB-CD1 3.72Å; V243-L273 HydrophobicContact CG1-CD1 3.64Å; V243-F362 HydrophobicContact CG1-CE1 4Å; V243-P419 HydrophobicContact CG2-CB 3.76Å; V243-P419 HydrophobicContact CG2-CG 3.98Å |
| 244 | R | 98.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 28.1 Ų | 28.1 | 29% | 0.291 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.8 | -49.8 | -177.3 | -174.2 | -179.6 | -74.4 | 120.2 | 0.4 | 112.4 | E240 N241 R246 L247 L273 E276 E277 | E240-R244 VanDerWaalsContact O-CB 3.31Å; E240-R244 WeakPolarHBondContact O-CB 3.25Å; E240-R244 PolarHBondContact O-N 3.36Å; E240-R244 IonicContact OE1-CZ 2.75Å; E240-R244 IonicContact OE1-NH1 2.85Å; E240-R244 PolarHBondContact OE1-NH1 3.11Å; E240-R244 VanDerWaalsContact OE1-NH1 3.12Å; E240-R244 IonicContact OE1-NH2 3.37Å; E240-R244 PolarHBondContact OE1-NH2 3.08Å; N241-R244 PolarHBondContact O-N 2.72Å; R244-R246 PolarHBondContact O-N 3.28Å; R244-R246 VanDerWaalsContact O-N 3.16Å; R244-L247 VanDerWaalsContact O-CB 3.29Å; R244-L247 WeakPolarHBondContact O-CB 3.34Å; R244-L247 WeakPolarHBondContact O-CG 3.45Å; R244-L247 PolarHBondContact O-N 3.32Å; R244-L273 HydrophobicContact CB-CD1 3.94Å; R244-L273 HydrophobicContact CB-CD2 4.41Å; R244-E276 IonicContact NH2-OE2 3.77Å; R244-E276 PolarHBondContact NH2-OE2 3.04Å; R244-E277 IonicContact NE-OE1 2.88Å |
| 245 | K | 97.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 28 Ų | 28 | 12% | 0.122 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -25.2 | 179.3 | 77.2 | 179.4 | 74.9 | 166.4 | 0 | 112.6 | Y79 D118 N241 V243 L247 D422 | Y79-K245 HydrophobicContact CD2-CD 4.28Å; Y79-K245 HydrophobicContact CD2-CG 4.43Å; Y79-K245 HydrophobicContact CG-CD 4.3Å; Y79-K245 HydrophobicContact CG-CG 4.14Å; D118-K245 WeakPolarHBondContact OD2-CD 3.22Å; D118-K245 IonicContact OD2-NZ 2.7Å; D118-K245 PolarHBondContact OD2-NZ 3.22Å; N241-K245 WeakPolarHBondContact ND2-CE 2.94Å; N241-K245 WeakPolarHBondContact O-CE 3.4Å; N241-K245 WeakPolarHBondContact O-CG 3.22Å; N241-K245 PolarHBondContact O-N 3.32Å; V243-K245 PolarHBondContact O-N 3.48Å; K245-L247 VanDerWaalsContact C-N 3.27Å; K245-L247 PolarHBondContact O-N 3.48Å; K245-D422 WeakPolarHBondContact CD-OD2 3.42Å; K245-D422 VanDerWaalsContact CE-OD2 3.25Å; K245-D422 WeakPolarHBondContact CE-OD2 3.32Å; K245-D422 IonicContact NZ-OD1 3.92Å; K245-D422 PolarHBondContact NZ-OD1 3.3Å; K245-D422 IonicContact NZ-OD2 3.79Å; K245-D422 PolarHBondContact NZ-OD2 2.81Å |
| 246 | R | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 6.1 | 175.8 | -73.4 | 170.4 | -179.8 | 66.5 | 1.7 | 113 | Y79 A242 V243 R244 M248 F362 R417 D422 | Y79-R246 HydrophobicContact CD1-CG 4.12Å; Y79-R246 HydrophobicContact CD2-CG 4.41Å; Y79-R246 HydrophobicContact CE1-CB 4.38Å; Y79-R246 HydrophobicContact CE1-CG 3.68Å; Y79-R246 HydrophobicContact CE2-CG 4.01Å; Y79-R246 HydrophobicContact CG-CG 4.47Å; A242-R246 WeakPolarHBondContact O-CD 3.34Å; A242-R246 VanDerWaalsContact O-CG 3.32Å; A242-R246 WeakPolarHBondContact O-CG 3.42Å; A242-R246 PolarHBondContact O-NH1 2.8Å; V243-R246 CarbonylContact O-C 3.55Å; V243-R246 WeakPolarHBondContact O-CA 3.3Å; V243-R246 WeakPolarHBondContact O-CB 3.07Å; V243-R246 PolarHBondContact O-N 3.37Å; V243-R246 VanDerWaalsContact O-N 3.1Å; R244-R246 PolarHBondContact O-N 3.28Å; R244-R246 VanDerWaalsContact O-N 3.16Å; R246-M248 PolarHBondContact O-N 3.45Å; R246-F362 HydrophobicContact CB-CE1 3.68Å; R246-F362 HydrophobicContact CB-CZ 3.53Å; R246-F362 WeakPolarHBondContact O-CZ 3.46Å; R246-R417 VanDerWaalsContact C-NH1 3.35Å; R246-R417 WeakPolarHBondContact O-CD 3.47Å; R246-R417 PolarHBondContact O-NH1 2.82Å; R246-D422 IonicContact CZ-OD2 2.7Å; R246-D422 IonicContact NH1-OD2 2.78Å; R246-D422 PolarHBondContact NH1-OD2 3.44Å; R246-D422 IonicContact NH2-OD2 3.31Å; R246-D422 PolarHBondContact NH2-OD2 2.69Å |
| 247 | L | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.9 | 168.8 | -63.5 | 178.7 | 0 | 0 | 0 | 113.3 | V243 R244 K245 A249 I253 L270 L273 E277 F362 | V243-L247 PolarHBondContact O-N 3.34Å; R244-L247 VanDerWaalsContact O-CB 3.29Å; R244-L247 WeakPolarHBondContact O-CB 3.34Å; R244-L247 WeakPolarHBondContact O-CG 3.45Å; R244-L247 PolarHBondContact O-N 3.32Å; K245-L247 VanDerWaalsContact C-N 3.27Å; K245-L247 PolarHBondContact O-N 3.48Å; L247-A249 PolarHBondContact O-N 3.34Å; L247-I253 HydrophobicContact CD2-CD1 4.03Å; L247-L270 HydrophobicContact CD2-CD1 3.41Å; L247-L270 VanDerWaalsContact CD2-CD1 3.41Å; L247-L273 HydrophobicContact CD1-CB 3.94Å; L247-E277 HydrophobicContact CD1-CB 4.27Å; L247-E277 HydrophobicContact CD1-CG 3.62Å; L247-F362 HydrophobicContact CD2-CZ 4.47Å |
| 248 | M | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 18% | 0.177 | 12% | 0.117 | C | C | . | . | trans | -60.4 | 91.6 | 178.8 | -177.7 | 179.6 | 86.3 | 0 | 0 | 112.4 | V53 E77 Y79 H81 D97 R246 R417 | V53-M248 HydrophobicContact CG2-CE 4.22Å; V53-M248 HydrophobicContact CG2-CG 4.13Å; E77-M248 HydrophobicContact CB-CE 4.21Å; E77-M248 WeakPolarHBondContact OE2-CE 3.5Å; Y79-M248 HydrophobicContact CD1-CE 4.22Å; H81-M248 PolarHBondContact CD2-SD 2.77Å; H81-M248 PolarHBondContact NE2-SD 3.19Å; H81-M248 VanDerWaalsContact NE2-SD 3.36Å; D97-M248 HydrophobicContact CB-CE 3.68Å; D97-M248 HydrophobicContact CB-SD 4.24Å; R246-M248 PolarHBondContact O-N 3.45Å; M248-R417 VanDerWaalsContact O-CZ 3.24Å; M248-R417 PolarHBondContact O-NH1 2.59Å; M248-R417 PolarHBondContact O-NH2 3.33Å | ||
| 249 | A | 96.7 | Very high | 97.6 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 22% | 0.223 | 12% | 0.117 | C | C | . | . | trans | -160 | 146.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I52 L247 I253 V360 | I52-A249 HydrophobicContact CG2-CB 3.83Å; L247-A249 PolarHBondContact O-N 3.34Å; A249-I253 HydrophobicContact CB-CD1 4.32Å; A249-I253 HydrophobicContact CB-CG1 4.27Å; A249-V360 HydrophobicContact CB-CG2 3.96Å | ||
| 250 | H | 96.2 | Very high | 97.4 | Very high | 121 Ų | 121 | 25.5 Ų | 25.5 | 56% | 0.56 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -99.1 | 10.2 | 164.7 | -57.4 | 123.6 | 0 | 0 | 0 | 112.4 | I52 D54 | I52-H250 WeakPolarHBondContact O-CB 3.25Å; I52-H250 PolarHBondContact O-N 2.55Å; D54-H250 PolarHBondContact N-CE1 2.93Å; D54-H250 PolarHBondContact N-ND1 3.07Å |
| 251 | R | 97.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 23.9 Ų | 23.9 | 23% | 0.234 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -118.1 | 155.7 | 178.3 | -63 | -66.7 | -69.8 | -85.8 | 6.2 | 109.3 | D30 A51 I52 I253 Y281 V359 | D30-R251 IonicContact OD1-NH1 2.85Å; D30-R251 IonicContact OD2-NH1 3.49Å; D30-R251 PolarHBondContact OD2-NH1 3.1Å; A51-R251 WeakPolarHBondContact O-CG 3.36Å; A51-R251 PolarHBondContact O-NH1 3.26Å; I52-R251 HydrophobicContact CD1-CB 4.34Å; I52-R251 HydrophobicContact CD1-CG 4.13Å; R251-I253 PolarHBondContact O-N 3.31Å; R251-Y281 PolarHBondContact O-OH 3.21Å; R251-V359 HydrophobicContact CB-CB 4.08Å; R251-V359 HydrophobicContact CB-CG1 4.44Å |
| 252 | R | 98.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 24 Ų | 24 | 14% | 0.14 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 135.5 | -178.2 | -167.3 | 176.5 | -174 | 179 | -2.4 | 110.8 | Y281 S282 Q284 E309 D357 V359 V360 | R252-Y281 HydrophobicContact CB-CE1 4.39Å; R252-Y281 HydrophobicContact CG-CD1 4.18Å; R252-Y281 HydrophobicContact CG-CD2 3.77Å; R252-Y281 HydrophobicContact CG-CE1 4.17Å; R252-Y281 HydrophobicContact CG-CE2 3.77Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; R252-S282 PolarHBondContact NH2-O 3.2Å; R252-Q284 VanDerWaalsContact CZ-CD 3.41Å; R252-Q284 VanDerWaalsContact NH1-NE2 3.16Å; R252-E309 IonicContact CZ-OE2 3.63Å; R252-E309 IonicContact NH2-OE2 3.45Å; R252-E309 PolarHBondContact NH2-OE2 3.14Å; R252-D357 WeakPolarHBondContact CB-O 3.39Å; R252-D357 VanDerWaalsContact CD-CG 3.41Å; R252-D357 WeakPolarHBondContact CD-OD1 3.44Å; R252-D357 WeakPolarHBondContact CD-OD2 3.25Å; R252-D357 IonicContact CZ-OD1 3.82Å; R252-D357 IonicContact NE-OD1 2.82Å; R252-D357 IonicContact NH1-OD1 3.16Å; R252-D357 PolarHBondContact NH1-OD1 3.43Å; R252-D357 IonicContact NH1-OD2 2.81Å; R252-V359 PolarHBondContact O-N 3.12Å; R252-V360 PolarHBondContact O-N 3.28Å; R252-V360 VanDerWaalsContact O-N 3.14Å |
| 253 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.3 | 178.3 | -60.8 | 169.7 | 0 | 0 | 0 | 109 | L247 A249 R251 L270 L279 Y281 I283 V360 F362 | L247-I253 HydrophobicContact CD2-CD1 4.03Å; A249-I253 HydrophobicContact CB-CD1 4.32Å; A249-I253 HydrophobicContact CB-CG1 4.27Å; R251-I253 PolarHBondContact O-N 3.31Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 4.01Å; I253-L279 HydrophobicContact CD1-CD1 4.27Å; I253-Y281 HydrophobicContact CB-CE2 4.46Å; I253-Y281 PolarHBondContact N-OH 2.77Å; I253-I283 HydrophobicContact CB-CD1 4.23Å; I253-I283 HydrophobicContact CG2-CD1 4.26Å; I253-V360 CarbonylContact C-O 3.53Å; I253-V360 WeakPolarHBondContact CA-O 3.24Å; I253-V360 HydrophobicContact CG1-CB 4.05Å; I253-V360 HydrophobicContact CG1-CG1 4.21Å; I253-F362 HydrophobicContact CG2-CD2 3.54Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å |
| 254 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 179.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q284 V360 I361 F362 | G254-Q284 CarbonylContact C-O 3.53Å; G254-Q284 VanDerWaalsContact CA-O 3.23Å; G254-Q284 WeakPolarHBondContact CA-O 3.4Å; G254-V360 PolarHBondContact N-O 3.32Å; G254-I361 WeakPolarHBondContact O-CA 3.38Å; G254-F362 PolarHBondContact O-N 3.29Å |
| 255 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 137.5 | -178.8 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | L270 I283 Q284 T285 F286 F362 | C255-L270 HydrophobicContact CB-CD2 3.82Å; C255-I283 HydrophobicContact CB-CG2 4.44Å; C255-Q284 PolarHBondContact N-O 2.72Å; C255-T285 HydrophobicContact CB-CG2 4.29Å; C255-T285 CarbonylContact O-C 3.52Å; C255-T285 VanDerWaalsContact O-CA 3.26Å; C255-T285 WeakPolarHBondContact O-CA 3.08Å; C255-F286 PolarHBondContact O-N 3.03Å; C255-F362 WeakPolarHBondContact CA-O 3.36Å; C255-F362 HydrophobicContact CB-CB 4.18Å |
| 256 | L | 98.7 | Very high | 97.5 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 9% | 0.094 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.2 | 164.7 | -58.4 | -177.7 | 0 | 0 | 0 | 108.9 | F286 M345 V348 I352 I361 F362 | L256-F286 HydrophobicContact CD2-CB 4.23Å; L256-M345 HydrophobicContact CD1-CE 3.66Å; L256-M345 HydrophobicContact CD1-CG 4.42Å; L256-V348 HydrophobicContact CD2-CG1 4.07Å; L256-V348 HydrophobicContact CD2-CG2 4.35Å; L256-I352 HydrophobicContact CD2-CD1 3.92Å; L256-I361 HydrophobicContact CD1-CG2 4.35Å; L256-I361 HydrophobicContact CD2-CG2 3.85Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; L256-F362 PolarHBondContact N-O 3.05Å |
| 257 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | -136.2 | 102.6 | -178.5 | 179.9 | 60.7 | 0 | 0 | 0 | 109.1 | A267 T285 F286 S287 A299 V302 A303 | L257-A267 HydrophobicContact CD1-CB 4Å; L257-T285 HydrophobicContact CB-CG2 4.4Å; L257-T285 HydrophobicContact CD2-CG2 4.17Å; L257-F286 PolarHBondContact N-O 2.82Å; L257-S287 WeakPolarHBondContact O-CA 3.39Å; L257-S287 WeakPolarHBondContact O-CB 3.3Å; L257-A299 HydrophobicContact CD2-CB 4.45Å; L257-A299 WeakPolarHBondContact CD2-O 3.16Å; L257-A299 HydrophobicContact CG-CB 4.01Å; L257-A299 VanDerWaalsContact O-CB 3.29Å; L257-A299 WeakPolarHBondContact O-CB 3.26Å; L257-V302 HydrophobicContact CD1-CB 4.14Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.24Å; L257-V302 HydrophobicContact CD2-CG1 4.2Å; L257-A303 HydrophobicContact CD2-CB 3.99Å | ||
| 258 | S | 94.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 18.4 Ų | 18.4 | 22% | 0.224 | 10% | 0.098 | C | C | . | . | trans | -94.8 | -4.5 | 178.9 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | G260 S263 D295 | S258-G260 PolarHBondContact O-N 3.27Å; S258-G260 PolarHBondContact OG-N 3.1Å; S258-S263 PolarHBondContact N-OG 3.05Å; S258-S263 VanDerWaalsContact N-OG 3.12Å; S258-S263 PolarHBondContact OG-OG 3.39Å; S258-D295 CarbonylContact O-C 3.56Å; S258-D295 WeakPolarHBondContact O-CA 3.35Å; S258-D295 VanDerWaalsContact O-CB 3.25Å; S258-D295 WeakPolarHBondContact O-CB 3.46Å; S258-D295 VanDerWaalsContact O-O 3.08Å | ||
| 259 | G | 92.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 74.9 | -2.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I462 | G259-I462 WeakPolarHBondContact O-CG2 3.27Š|
| 260 | G | 94.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 15.7 Ų | 15.7 | 20% | 0.196 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -71.9 | 161.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | S258 D262 S263 S264 | S258-G260 PolarHBondContact O-N 3.27Å; S258-G260 PolarHBondContact OG-N 3.1Å; G260-D262 VanDerWaalsContact C-N 3.3Å; G260-D262 PolarHBondContact O-N 3.13Å; G260-S263 PolarHBondContact O-OG 2.85Å; G260-S264 WeakPolarHBondContact O-CB 3.25Å; G260-S264 PolarHBondContact O-N 3.5Å; G260-S264 VanDerWaalsContact O-N 3.11Å; G260-S264 PolarHBondContact O-OG 3.07Å |
| 261 | L | 97.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 10.2 Ų | 10.2 | 4% | 0.037 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -49.1 | -49.2 | -177.1 | 176.4 | 68 | 0 | 0 | 0 | 112.8 | S264 L265 K445 L448 R449 I458 L463 | L261-S264 PolarHBondContact O-N 3.42Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.1Å; L261-L265 HydrophobicContact CG-CD1 4Å; L261-L265 HydrophobicContact CG-CG 4.47Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-K445 HydrophobicContact CD2-CB 4.14Å; L261-K445 HydrophobicContact CD2-CD 3.86Å; L261-L448 HydrophobicContact CD2-CD2 4.06Å; L261-R449 HydrophobicContact CD1-CG 4.12Å; L261-R449 HydrophobicContact CD2-CG 3.53Å; L261-R449 HydrophobicContact CG-CG 4.48Å; L261-I458 HydrophobicContact CD1-CD1 4.14Å; L261-L463 HydrophobicContact CD1-CD1 3.83Å |
| 262 | D | 98 | Very high | 97.8 | Very high | 13 Ų | 13 | 10.9 Ų | 10.9 | 7% | 0.07 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.6 | -51.5 | -166 | -45.6 | -60.6 | 0 | 0 | 0 | 112.2 | G260 S264 L265 V266 S367 F420 K445 | G260-D262 VanDerWaalsContact C-N 3.3Å; G260-D262 PolarHBondContact O-N 3.13Å; D262-S264 PolarHBondContact O-N 3.36Å; D262-L265 PolarHBondContact O-N 3.1Å; D262-V266 WeakPolarHBondContact O-CG2 3.42Å; D262-V266 PolarHBondContact O-N 3.49Å; D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 VanDerWaalsContact CG-OG 3.3Å; D262-S367 WeakPolarHBondContact OD1-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 3.47Å; D262-F420 HydrophobicContact CB-CE2 3.88Å; D262-F420 HydrophobicContact CB-CZ 4.3Å; D262-K445 IonicContact OD1-NZ 2.87Å; D262-K445 PolarHBondContact OD1-NZ 2.89Å; D262-K445 IonicContact OD2-NZ 2.64Å; D262-K445 PolarHBondContact OD2-NZ 3.3Å |
| 263 | S | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 9.1 Ų | 9.1 | 6% | 0.056 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -33.4 | 176.7 | 61 | 0 | 0 | 0 | 0 | 111.1 | S258 G260 V266 A267 | S258-S263 PolarHBondContact N-OG 3.05Å; S258-S263 VanDerWaalsContact N-OG 3.12Å; S258-S263 PolarHBondContact OG-OG 3.39Å; G260-S263 PolarHBondContact O-OG 2.85Å; S263-V266 PolarHBondContact O-N 3.44Å; S263-A267 VanDerWaalsContact O-CB 3.25Å; S263-A267 WeakPolarHBondContact O-CB 3.39Å; S263-A267 PolarHBondContact O-N 3.05Å |
| 264 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 175.7 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | G260 L261 D262 A267 A268 V302 I458 | G260-S264 WeakPolarHBondContact O-CB 3.25Å; G260-S264 PolarHBondContact O-N 3.5Å; G260-S264 VanDerWaalsContact O-N 3.11Å; G260-S264 PolarHBondContact O-OG 3.07Å; L261-S264 PolarHBondContact O-N 3.42Å; D262-S264 PolarHBondContact O-N 3.36Å; S264-A267 PolarHBondContact O-N 3.49Å; S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 2.89Å; S264-V302 WeakPolarHBondContact OG-CG2 3.46Å; S264-I458 WeakPolarHBondContact O-CG2 3.15Å |
| 265 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.9 | -73.6 | 176.6 | 0 | 0 | 0 | 111.6 | F239 L261 D262 M269 L448 F452 L457 I458 | F239-L265 HydrophobicContact CE1-CB 4.15Å; F239-L265 HydrophobicContact CZ-CB 4.19Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.1Å; L261-L265 HydrophobicContact CG-CD1 4Å; L261-L265 HydrophobicContact CG-CG 4.47Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.91Å; D262-L265 PolarHBondContact O-N 3.1Å; L265-M269 VanDerWaalsContact O-CB 3.22Å; L265-M269 WeakPolarHBondContact O-CB 3.34Å; L265-M269 PolarHBondContact O-N 2.65Å; L265-L448 HydrophobicContact CD1-CD1 4.41Å; L265-L448 HydrophobicContact CD1-CD2 4.16Å; L265-L448 HydrophobicContact CD1-CG 4.08Å; L265-F452 HydrophobicContact CD1-CD2 3.78Å; L265-F452 HydrophobicContact CD1-CE2 3.89Å; L265-F452 HydrophobicContact CD2-CB 4Å; L265-F452 HydrophobicContact CD2-CD1 4.1Å; L265-F452 HydrophobicContact CD2-CD2 3.69Å; L265-F452 HydrophobicContact CD2-CE2 4.19Å; L265-F452 HydrophobicContact CD2-CG 3.66Å; L265-F452 HydrophobicContact CG-CD2 4.4Å; L265-L457 HydrophobicContact CD2-CD2 4.15Å; L265-I458 HydrophobicContact CD2-CD1 3.95Å; L265-I458 HydrophobicContact CD2-CG1 4.4Å; L265-I458 HydrophobicContact CG-CD1 4.26Å |
| 266 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | F239 D262 S263 A268 M269 L270 F362 P419 F420 | F239-V266 HydrophobicContact CE2-CG2 4.31Å; F239-V266 HydrophobicContact CZ-CG2 3.77Å; D262-V266 WeakPolarHBondContact O-CG2 3.42Å; D262-V266 PolarHBondContact O-N 3.49Å; S263-V266 PolarHBondContact O-N 3.44Å; V266-A268 PolarHBondContact O-N 3.44Å; V266-M269 PolarHBondContact O-N 2.74Å; V266-L270 WeakPolarHBondContact O-CB 3.49Å; V266-L270 PolarHBondContact O-N 2.99Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.02Å; V266-F362 HydrophobicContact CG1-CG 4.43Å; V266-P419 HydrophobicContact CG1-CG 4.02Å; V266-P419 HydrophobicContact CG2-CG 3.67Å; V266-F420 HydrophobicContact CG2-CD2 4.01Å; V266-F420 HydrophobicContact CG2-CE2 3.67Å |
| 267 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L257 S263 S264 L270 L271 T285 I306 | L257-A267 HydrophobicContact CD1-CB 4Å; S263-A267 VanDerWaalsContact O-CB 3.25Å; S263-A267 WeakPolarHBondContact O-CB 3.39Å; S263-A267 PolarHBondContact O-N 3.05Å; S264-A267 PolarHBondContact O-N 3.49Å; A267-L270 PolarHBondContact O-N 3.43Å; A267-L271 WeakPolarHBondContact O-CB 3.34Å; A267-L271 PolarHBondContact O-N 3.04Å; A267-T285 HydrophobicContact CB-CG2 4.31Å; A267-I306 HydrophobicContact CB-CD1 4.02Å |
| 268 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S264 V266 L271 K272 I306 L457 I458 | S264-A268 VanDerWaalsContact O-CB 3.23Å; S264-A268 WeakPolarHBondContact O-CB 3.37Å; S264-A268 PolarHBondContact O-N 2.89Å; V266-A268 PolarHBondContact O-N 3.44Å; A268-L271 PolarHBondContact O-N 2.73Å; A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.38Å; A268-I306 HydrophobicContact CB-CG2 3.77Å; A268-L457 HydrophobicContact CB-CD1 3.76Å; A268-L457 HydrophobicContact CB-CD2 4.44Å; A268-L457 HydrophobicContact CB-CG 3.66Å; A268-L457 VanDerWaalsContact CB-O 3.29Å; A268-L457 WeakPolarHBondContact CB-O 3.5Å; A268-I458 HydrophobicContact CB-CG2 3.6Å |
| 269 | M | 98.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.8 | -173.1 | 59.1 | 74.2 | 0 | 0 | 111.4 | F239 E240 V243 L265 V266 L271 K272 L273 F452 L457 | F239-M269 HydrophobicContact CD1-CB 4.44Å; F239-M269 HydrophobicContact CD1-CE 4.2Å; F239-M269 HydrophobicContact CD1-CG 4.28Å; F239-M269 HydrophobicContact CE1-CB 3.95Å; F239-M269 HydrophobicContact CE1-CG 4.25Å; E240-M269 HydrophobicContact CB-CE 4.1Å; E240-M269 HydrophobicContact CB-SD 3.99Å; E240-M269 HydrophobicContact CG-CE 4.45Å; E240-M269 HydrophobicContact CG-SD 3.78Å; V243-M269 HydrophobicContact CB-CG 3.96Å; V243-M269 HydrophobicContact CG1-CG 4.19Å; V243-M269 HydrophobicContact CG2-CB 4.24Å; V243-M269 HydrophobicContact CG2-CG 3.86Å; L265-M269 VanDerWaalsContact O-CB 3.22Å; L265-M269 WeakPolarHBondContact O-CB 3.34Å; L265-M269 PolarHBondContact O-N 2.65Å; V266-M269 PolarHBondContact O-N 2.74Å; M269-L271 PolarHBondContact O-N 2.96Å; M269-K272 PolarHBondContact O-N 3.39Å; M269-K272 HydrophobicContact SD-CD 4.1Å; M269-L273 HydrophobicContact CG-CD1 3.88Å; M269-L273 HydrophobicContact CG-CG 4.44Å; M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 VanDerWaalsContact O-CG 3.29Å; M269-L273 WeakPolarHBondContact O-CG 3.44Å; M269-L273 PolarHBondContact O-N 3.14Å; M269-L273 HydrophobicContact SD-CD1 4.16Å; M269-L273 HydrophobicContact SD-CG 4.25Å; M269-F452 HydrophobicContact CE-CE1 4.11Å; M269-L457 HydrophobicContact CE-CD2 4.09Å |
| 270 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.7 | 176.2 | 62 | 0 | 0 | 0 | 111.6 | V243 L247 I253 C255 V266 A267 L273 S274 I283 F362 | V243-L270 HydrophobicContact CG1-CB 4.13Å; V243-L270 HydrophobicContact CG1-CD1 4.27Å; L247-L270 HydrophobicContact CD2-CD1 3.41Å; L247-L270 VanDerWaalsContact CD2-CD1 3.41Å; I253-L270 HydrophobicContact CG2-CD1 4.11Å; I253-L270 HydrophobicContact CG2-CD2 4.01Å; C255-L270 HydrophobicContact CB-CD2 3.82Å; V266-L270 WeakPolarHBondContact O-CB 3.49Å; V266-L270 PolarHBondContact O-N 2.99Å; A267-L270 PolarHBondContact O-N 3.43Å; L270-L273 PolarHBondContact O-N 2.78Å; L270-S274 VanDerWaalsContact O-CB 3.32Å; L270-S274 WeakPolarHBondContact O-CB 3.47Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.36Å; L270-I283 HydrophobicContact CD1-CD1 4.5Å; L270-I283 HydrophobicContact CD2-CD1 4.45Å; L270-I283 HydrophobicContact CD2-CG2 3.85Å; L270-I283 HydrophobicContact CG-CD1 4.24Å; L270-I283 HydrophobicContact CG-CG1 4.29Å; L270-I283 HydrophobicContact CG-CG2 4.34Å; L270-F362 HydrophobicContact CD1-CD1 4.47Å; L270-F362 HydrophobicContact CD1-CD2 4.33Å; L270-F362 HydrophobicContact CD1-CE1 4.17Å; L270-F362 HydrophobicContact CD1-CE2 4.04Å; L270-F362 HydrophobicContact CD1-CZ 3.91Å; L270-F362 HydrophobicContact CD2-CB 4Å; L270-F362 HydrophobicContact CD2-CD1 4.37Å; L270-F362 HydrophobicContact CD2-CD2 3.94Å; L270-F362 HydrophobicContact CD2-CE2 4.46Å; L270-F362 HydrophobicContact CD2-CG 3.86Å |
| 271 | L | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72 | -33.4 | 179.6 | -166 | 76.5 | 0 | 0 | 0 | 112.7 | A267 A268 M269 S274 K275 I283 I306 | A267-L271 WeakPolarHBondContact O-CB 3.34Å; A267-L271 PolarHBondContact O-N 3.04Å; A268-L271 PolarHBondContact O-N 2.73Å; M269-L271 PolarHBondContact O-N 2.96Å; L271-S274 WeakPolarHBondContact CA-OG 3.47Å; L271-S274 PolarHBondContact O-OG 3.13Å; L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.09Å; L271-I283 HydrophobicContact CD1-CB 3.68Å; L271-I283 HydrophobicContact CD1-CG1 3.77Å; L271-I306 VanDerWaalsContact CD2-C 3.44Å; L271-I306 HydrophobicContact CD2-CB 3.67Å; L271-I306 HydrophobicContact CD2-CD1 4.17Å; L271-I306 HydrophobicContact CD2-CG1 3.74Å; L271-I306 WeakPolarHBondContact CD2-O 3.46Å |
| 272 | K | 98.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.2 | -54.4 | 169.9 | 176.1 | -169.2 | 166.9 | -166.8 | 0 | 109.8 | E240 A268 M269 S274 K275 E276 | E240-K272 IonicContact OE2-NZ 3.96Å; E240-K272 PolarHBondContact OE2-NZ 2.76Å; A268-K272 WeakPolarHBondContact O-CB 3.36Å; A268-K272 PolarHBondContact O-N 3.38Å; M269-K272 PolarHBondContact O-N 3.39Å; M269-K272 HydrophobicContact SD-CD 4.1Å; K272-S274 PolarHBondContact O-N 2.84Å; K272-K275 PolarHBondContact O-N 3.41Å; K272-E276 WeakPolarHBondContact CE-OE1 3.18Å; K272-E276 IonicContact NZ-OE1 2.77Å; K272-E276 PolarHBondContact O-N 2.94Å; K272-E276 VanDerWaalsContact O-N 3.14Å |
| 273 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -32.8 | -176.5 | -66.7 | 170.9 | 0 | 0 | 0 | 112.8 | E240 V243 R244 L247 M269 L270 K275 E276 E277 | E240-L273 HydrophobicContact CG-CD1 4.2Å; E240-L273 HydrophobicContact CG-CD2 3.89Å; E240-L273 HydrophobicContact CG-CG 4.46Å; V243-L273 HydrophobicContact CB-CD1 3.72Å; V243-L273 HydrophobicContact CG1-CD1 3.64Å; R244-L273 HydrophobicContact CB-CD1 3.94Å; R244-L273 HydrophobicContact CB-CD2 4.41Å; L247-L273 HydrophobicContact CD1-CB 3.94Å; M269-L273 HydrophobicContact CG-CD1 3.88Å; M269-L273 HydrophobicContact CG-CG 4.44Å; M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 VanDerWaalsContact O-CG 3.29Å; M269-L273 WeakPolarHBondContact O-CG 3.44Å; M269-L273 PolarHBondContact O-N 3.14Å; M269-L273 HydrophobicContact SD-CD1 4.16Å; M269-L273 HydrophobicContact SD-CG 4.25Å; L270-L273 PolarHBondContact O-N 2.78Å; L273-K275 VanDerWaalsContact C-N 3.26Å; L273-K275 PolarHBondContact O-N 2.97Å; L273-E276 WeakPolarHBondContact CD2-OE2 3.41Å; L273-E276 PolarHBondContact O-N 3.16Å; L273-E277 WeakPolarHBondContact O-CB 3.46Å; L273-E277 WeakPolarHBondContact O-CG 3.38Å; L273-E277 PolarHBondContact O-N 3.28Å |
| 274 | S | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -34.3 | 175.6 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | L270 L271 K272 K278 L279 | L270-S274 VanDerWaalsContact O-CB 3.32Å; L270-S274 WeakPolarHBondContact O-CB 3.47Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.36Å; L271-S274 WeakPolarHBondContact CA-OG 3.47Å; L271-S274 PolarHBondContact O-OG 3.13Å; K272-S274 PolarHBondContact O-N 2.84Å; S274-K278 PolarHBondContact O-N 3.14Å; S274-K278 VanDerWaalsContact O-N 3.08Å; S274-L279 PolarHBondContact O-N 2.84Å |
| 275 | K | 97.4 | Very high | 97.8 | Very high | 134 Ų | 134 | 42.3 Ų | 42.3 | 58% | 0.583 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -70.7 | -42.5 | 173.1 | -68.3 | 170.8 | -175.8 | 171.9 | 0 | 111.3 | L271 K272 L273 K278 | L271-K275 WeakPolarHBondContact O-CG 3.26Å; L271-K275 PolarHBondContact O-N 3.09Å; K272-K275 PolarHBondContact O-N 3.41Å; L273-K275 VanDerWaalsContact C-N 3.26Å; L273-K275 PolarHBondContact O-N 2.97Å; K275-K278 PolarHBondContact O-N 3Å |
| 276 | E | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.3 | -70.6 | 177.3 | -171.2 | 0 | 0 | 112 | R244 K272 L273 K278 | R244-E276 IonicContact NH2-OE2 3.77Å; R244-E276 PolarHBondContact NH2-OE2 3.04Å; K272-E276 WeakPolarHBondContact CE-OE1 3.18Å; K272-E276 IonicContact NZ-OE1 2.77Å; K272-E276 PolarHBondContact O-N 2.94Å; K272-E276 VanDerWaalsContact O-N 3.14Å; L273-E276 WeakPolarHBondContact CD2-OE2 3.41Å; L273-E276 PolarHBondContact O-N 3.16Å; E276-K278 PolarHBondContact O-N 3.15Å |
| 277 | E | 97 | Very high | 97.7 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.6 | 178 | -61.1 | -59.9 | 156.5 | 0 | 0 | 113.3 | R244 L247 L273 L279 | R244-E277 IonicContact NE-OE1 2.88Å; L247-E277 HydrophobicContact CD1-CB 4.27Å; L247-E277 HydrophobicContact CD1-CG 3.62Å; L273-E277 WeakPolarHBondContact O-CB 3.46Å; L273-E277 WeakPolarHBondContact O-CG 3.38Å; L273-E277 PolarHBondContact O-N 3.28Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.95Å |
| 278 | K | 97.3 | Very high | 97.6 | Very high | 178 Ų | 178 | 43 Ų | 43 | 77% | 0.774 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 47 | 176.1 | -57.1 | 175.7 | -176.1 | 173.3 | 0 | 113.3 | S274 K275 E276 | S274-K278 PolarHBondContact O-N 3.14Å; S274-K278 VanDerWaalsContact O-N 3.08Å; K275-K278 PolarHBondContact O-N 3Å; E276-K278 PolarHBondContact O-N 3.15Å |
| 279 | L | 96.8 | Very high | 97.2 | Very high | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | trans | -57.6 | 140.3 | 174 | -61.9 | -170.6 | 0 | 0 | 0 | 110.1 | I253 S274 E277 Y281 I283 | I253-L279 HydrophobicContact CD1-CD1 4.27Å; S274-L279 PolarHBondContact O-N 2.84Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.95Å; L279-Y281 HydrophobicContact CB-CE2 4.33Å; L279-Y281 HydrophobicContact CD1-CE2 4.05Å; L279-Y281 PolarHBondContact O-N 2.85Å; L279-I283 HydrophobicContact CD1-CD1 4.26Å | ||
| 280 | P | 96.3 | Very high | 96.5 | Very high | 124 Ų | 124 | 43.5 Ų | 43.5 | 81% | 0.805 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -77.1 | 9.5 | -171.4 | 31.7 | -35.9 | 0 | 0 | 0 | 114 | ||
| 281 | Y | 96.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -145.4 | 156.9 | -177.1 | 49.2 | -104.6 | 0 | 0 | 0 | 110.4 | R251 R252 I253 L279 I283 | R251-Y281 PolarHBondContact O-OH 3.21Å; R252-Y281 HydrophobicContact CB-CE1 4.39Å; R252-Y281 HydrophobicContact CG-CD1 4.18Å; R252-Y281 HydrophobicContact CG-CD2 3.77Å; R252-Y281 HydrophobicContact CG-CE1 4.17Å; R252-Y281 HydrophobicContact CG-CE2 3.77Å; R252-Y281 HydrophobicContact CG-CG 4.01Å; I253-Y281 HydrophobicContact CB-CE2 4.46Å; I253-Y281 PolarHBondContact N-OH 2.77Å; L279-Y281 HydrophobicContact CB-CE2 4.33Å; L279-Y281 HydrophobicContact CD1-CE2 4.05Å; L279-Y281 PolarHBondContact O-N 2.85Å; Y281-I283 HydrophobicContact CE2-CD1 4.27Å |
| 282 | S | 94.6 | Very high | 94.8 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 147.2 | 167.8 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | R252 Q284 | R252-S282 PolarHBondContact NH2-O 3.2Å; S282-Q284 PolarHBondContact O-N 2.84Å |
| 283 | I | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 125.5 | 174.5 | -57.9 | -64.1 | 0 | 0 | 0 | 108.2 | I253 C255 L270 L271 L279 Y281 E309 | I253-I283 HydrophobicContact CB-CD1 4.23Å; I253-I283 HydrophobicContact CG2-CD1 4.26Å; C255-I283 HydrophobicContact CB-CG2 4.44Å; L270-I283 HydrophobicContact CD1-CD1 4.5Å; L270-I283 HydrophobicContact CD2-CD1 4.45Å; L270-I283 HydrophobicContact CD2-CG2 3.85Å; L270-I283 HydrophobicContact CG-CD1 4.24Å; L270-I283 HydrophobicContact CG-CG1 4.29Å; L270-I283 HydrophobicContact CG-CG2 4.34Å; L271-I283 HydrophobicContact CD1-CB 3.68Å; L271-I283 HydrophobicContact CD1-CG1 3.77Å; L279-I283 HydrophobicContact CD1-CD1 4.26Å; Y281-I283 HydrophobicContact CE2-CD1 4.27Å; I283-E309 PolarHBondContact O-N 3.18Å; I283-E309 VanDerWaalsContact O-N 3.11Å |
| 284 | Q | 98.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.7 | 170.2 | -72.8 | 171.2 | -30.3 | 0 | 0 | 109.8 | R252 G254 C255 S282 F286 E309 S358 | R252-Q284 VanDerWaalsContact CZ-CD 3.41Å; R252-Q284 VanDerWaalsContact NH1-NE2 3.16Å; G254-Q284 CarbonylContact C-O 3.53Å; G254-Q284 VanDerWaalsContact CA-O 3.23Å; G254-Q284 WeakPolarHBondContact CA-O 3.4Å; C255-Q284 PolarHBondContact N-O 2.72Å; S282-Q284 PolarHBondContact O-N 2.84Å; Q284-F286 HydrophobicContact CB-CE1 4.34Å; Q284-F286 HydrophobicContact CB-CE2 3.73Å; Q284-F286 HydrophobicContact CB-CZ 3.49Å; Q284-F286 VanDerWaalsContact CB-CZ 3.49Å; Q284-F286 HydrophobicContact CG-CZ 4.43Å; Q284-E309 VanDerWaalsContact CA-O 3.28Å; Q284-E309 WeakPolarHBondContact CA-O 3.27Å; Q284-E309 HydrophobicContact CG-CB 4.07Å; Q284-E309 VanDerWaalsContact CG-CD 3.48Å; Q284-E309 HydrophobicContact CG-CG 4.16Å; Q284-E309 WeakPolarHBondContact CG-OE1 3.44Å; Q284-E309 PolarHBondContact NE2-OE1 2.9Å; Q284-S358 PolarHBondContact OE1-OG 2.86Å |
| 285 | T | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.6 | 176.1 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | C255 L257 A267 S308 E309 H310 H311 | C255-T285 HydrophobicContact CB-CG2 4.29Å; C255-T285 CarbonylContact O-C 3.52Å; C255-T285 VanDerWaalsContact O-CA 3.26Å; C255-T285 WeakPolarHBondContact O-CA 3.08Å; L257-T285 HydrophobicContact CB-CG2 4.4Å; L257-T285 HydrophobicContact CD2-CG2 4.17Å; A267-T285 HydrophobicContact CB-CG2 4.31Å; T285-S308 WeakPolarHBondContact OG1-CB 3.24Å; T285-S308 PolarHBondContact OG1-OG 2.93Å; T285-E309 PolarHBondContact N-O 2.89Å; T285-H310 WeakPolarHBondContact O-CA 3.39Å; T285-H310 PolarHBondContact O-ND1 3.48Å; T285-H310 PolarHBondContact OG1-ND1 3.31Å; T285-H311 PolarHBondContact O-N 2.85Å |
| 286 | F | 98.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.4 | -172.3 | -54.3 | -85.2 | 0 | 0 | 0 | 111.4 | C255 L256 L257 Q284 H311 V348 I352 T356 I361 | C255-F286 PolarHBondContact O-N 3.03Å; L256-F286 HydrophobicContact CD2-CB 4.23Å; L257-F286 PolarHBondContact N-O 2.82Å; Q284-F286 HydrophobicContact CB-CE1 4.34Å; Q284-F286 HydrophobicContact CB-CE2 3.73Å; Q284-F286 HydrophobicContact CB-CZ 3.49Å; Q284-F286 VanDerWaalsContact CB-CZ 3.49Å; Q284-F286 HydrophobicContact CG-CZ 4.43Å; F286-H311 WeakPolarHBondContact CA-O 3.43Å; F286-H311 HydrophobicContact CD1-CB 3.55Å; F286-H311 AromaticContact CD1-CG 3.98Å; F286-H311 HydrophobicContact CE1-CB 3.84Å; F286-H311 AromaticContact CE1-CD2 3.8Å; F286-H311 AromaticContact CE1-CG 3.71Å; F286-V348 HydrophobicContact CB-CG2 3.87Å; F286-I352 HydrophobicContact CB-CD1 4.15Å; F286-I352 HydrophobicContact CB-CG1 4.35Å; F286-I352 HydrophobicContact CD1-CD1 4.2Å; F286-I352 HydrophobicContact CD1-CG1 3.53Å; F286-I352 HydrophobicContact CD2-CD1 3.7Å; F286-I352 HydrophobicContact CD2-CG1 3.81Å; F286-I352 HydrophobicContact CE1-CG1 3.68Å; F286-I352 HydrophobicContact CE2-CD1 4.14Å; F286-I352 HydrophobicContact CE2-CG1 3.93Å; F286-I352 HydrophobicContact CE2-CG2 4.46Å; F286-I352 HydrophobicContact CG-CD1 3.74Å; F286-I352 HydrophobicContact CG-CG1 3.62Å; F286-I352 HydrophobicContact CZ-CG1 3.86Å; F286-I352 HydrophobicContact CZ-CG2 4.3Å; F286-T356 HydrophobicContact CE1-CG2 3.7Å; F286-T356 HydrophobicContact CZ-CG2 3.94Å; F286-I361 HydrophobicContact CE2-CD1 4.41Å |
| 287 | S | 97.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 154.9 | 167.1 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | L257 H310 H311 V313 | L257-S287 WeakPolarHBondContact O-CA 3.39Å; L257-S287 WeakPolarHBondContact O-CB 3.3Å; S287-H310 PolarHBondContact OG-CE1 2.87Å; S287-H310 PolarHBondContact OG-NE2 3.13Å; S287-H311 PolarHBondContact N-O 2.88Å; S287-V313 WeakPolarHBondContact O-CB 3.21Å; S287-V313 PolarHBondContact O-N 3.06Å |
| 288 | I | 94.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.8 | 173.3 | -175.6 | 165.9 | 0 | 0 | 0 | 109.8 | V313 F315 G344 L347 V348 F470 M474 | I288-V313 VanDerWaalsContact CA-O 3.3Å; I288-V313 WeakPolarHBondContact CA-O 3.46Å; I288-V313 HydrophobicContact CB-CB 4.09Å; I288-V313 HydrophobicContact CD1-CB 4.41Å; I288-V313 HydrophobicContact CD1-CG1 4Å; I288-V313 HydrophobicContact CG1-CB 4.09Å; I288-V313 HydrophobicContact CG1-CG1 4.15Å; I288-F315 HydrophobicContact CD1-CB 4.32Å; I288-F315 HydrophobicContact CD1-CD2 4.39Å; I288-F315 HydrophobicContact CG1-CB 3.86Å; I288-G344 WeakPolarHBondContact CD1-O 3.13Å; I288-L347 HydrophobicContact CD1-CB 3.71Å; I288-V348 HydrophobicContact CB-CB 4.01Å; I288-V348 HydrophobicContact CB-CG2 4.25Å; I288-V348 HydrophobicContact CD1-CB 4.05Å; I288-V348 HydrophobicContact CG2-CB 4.02Å; I288-V348 HydrophobicContact CG2-CG1 4.38Å; I288-V348 HydrophobicContact CG2-CG2 4.49Å; I288-F470 HydrophobicContact CG2-CZ 3.95Å; I288-M474 HydrophobicContact CG2-SD 3.89Å; I288-M474 WeakPolarHBondContact O-CG 3.21Å |
| 289 | G | 91.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V313 F315 M474 | G289-V313 PolarHBondContact N-O 3.47Å; G289-V313 VanDerWaalsContact N-O 3.07Å; G289-F315 PolarHBondContact O-N 3.49Å; G289-M474 CarbonylContact C-O 3.59Å; G289-M474 WeakPolarHBondContact CA-O 3.46Å |
| 290 | A | 84.9 | Confident | 92.5 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | trans | -63.2 | 153.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D292 S293 M474 | A290-D292 PolarHBondContact O-N 2.84Å; A290-S293 VanDerWaalsContact O-CB 3.25Å; A290-S293 WeakPolarHBondContact O-CB 3.01Å; A290-S293 PolarHBondContact O-N 3.03Å; A290-M474 PolarHBondContact N-O 3.07Å | ||
| 291 | E | 77.3 | Confident | 92.5 | Very high | 166 Ų | 166 | 33.5 Ų | 33.5 | 78% | 0.776 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35 | -177.3 | -172.4 | 176.7 | -168.3 | 0 | 0 | 113.2 | ||
| 292 | D | 82.6 | Confident | 92.6 | Very high | 76 Ų | 76 | 30.9 Ų | 30.9 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 14.3 | 178.7 | 69.1 | -23.6 | 0 | 0 | 0 | 113.4 | A290 S476 | A290-D292 PolarHBondContact O-N 2.84Å; D292-S476 WeakPolarHBondContact OD1-CB 3.17Å; D292-S476 PolarHBondContact OD1-OG 3.23Å; D292-S476 VanDerWaalsContact OD2-CB 3.26Å; D292-S476 WeakPolarHBondContact OD2-CB 3.47Å; D292-S476 PolarHBondContact OD2-OG 3.02Å |
| 293 | S | 86.8 | Confident | 92.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -73.6 | 140.9 | -178.7 | 107.6 | 0 | 0 | 0 | 0 | 111.5 | A290 D295 V296 M297 G473 | A290-S293 VanDerWaalsContact O-CB 3.25Å; A290-S293 WeakPolarHBondContact O-CB 3.01Å; A290-S293 PolarHBondContact O-N 3.03Å; S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact O-N 3.29Å; S293-V296 PolarHBondContact O-N 3.18Å; S293-V296 WeakPolarHBondContact OG-CG2 3.35Å; S293-V296 PolarHBondContact OG-N 3.43Å; S293-M297 WeakPolarHBondContact O-CG 3.33Å; S293-M297 PolarHBondContact O-N 2.99Å; S293-M297 VanDerWaalsContact O-N 3.1Å; S293-G473 WeakPolarHBondContact CB-O 3.48Å; S293-G473 PolarHBondContact OG-O 3.07Å | ||
| 294 | P | 86.2 | Confident | 92.8 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 20% | 0.195 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -32.6 | -176.5 | 27.2 | -36.1 | 0 | 0 | 0 | 112.5 | A298 R465 E468 | P294-A298 VanDerWaalsContact O-CB 3.29Å; P294-A298 WeakPolarHBondContact O-CB 3.35Å; P294-A298 PolarHBondContact O-N 2.91Å; P294-R465 PolarHBondContact O-NH2 2.79Å; P294-E468 WeakPolarHBondContact CG-OE2 3.39Å |
| 295 | D | 88.3 | Confident | 92.8 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.9 | -41 | 175.1 | -81.8 | -5.3 | 0 | 0 | 0 | 112.3 | S258 S293 A298 A299 R465 G473 | S258-D295 CarbonylContact O-C 3.56Å; S258-D295 WeakPolarHBondContact O-CA 3.35Å; S258-D295 VanDerWaalsContact O-CB 3.25Å; S258-D295 WeakPolarHBondContact O-CB 3.46Å; S258-D295 VanDerWaalsContact O-O 3.08Å; S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact O-N 3.29Å; D295-A298 PolarHBondContact O-N 3.39Å; D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.44Å; D295-A299 PolarHBondContact O-N 2.95Å; D295-R465 IonicContact OD1-NH2 3.35Å; D295-R465 PolarHBondContact OD1-NH2 3.28Å; D295-G473 WeakPolarHBondContact CB-O 3.41Å; D295-G473 PolarHBondContact N-O 2.75Å; D295-G473 WeakPolarHBondContact OD2-CA 3.41Å |
| 296 | V | 91.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | S293 A298 A299 E300 K312 | S293-V296 PolarHBondContact O-N 3.18Å; S293-V296 WeakPolarHBondContact OG-CG2 3.35Å; S293-V296 PolarHBondContact OG-N 3.43Å; V296-A298 VanDerWaalsContact C-N 3.35Å; V296-A298 PolarHBondContact O-N 2.83Å; V296-A299 PolarHBondContact O-N 2.98Å; V296-E300 WeakPolarHBondContact O-CG 3.46Å; V296-E300 PolarHBondContact O-N 3.37Å; V296-K312 HydrophobicContact CG1-CD 4.1Å |
| 297 | M | 92.2 | Very high | 92.6 | Very high | 101 Ų | 101 | 38.5 Ų | 38.5 | 50% | 0.498 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.3 | -67 | -178.1 | 68.3 | 0 | 0 | 112.6 | S293 K301 | S293-M297 WeakPolarHBondContact O-CG 3.33Å; S293-M297 PolarHBondContact O-N 2.99Å; S293-M297 VanDerWaalsContact O-N 3.1Å; M297-K301 WeakPolarHBondContact O-CG 3.15Å; M297-K301 PolarHBondContact O-N 3.29Å |
| 298 | A | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P294 D295 V296 K301 V302 I462 | P294-A298 VanDerWaalsContact O-CB 3.29Å; P294-A298 WeakPolarHBondContact O-CB 3.35Å; P294-A298 PolarHBondContact O-N 2.91Å; D295-A298 PolarHBondContact O-N 3.39Å; V296-A298 VanDerWaalsContact C-N 3.35Å; V296-A298 PolarHBondContact O-N 2.83Å; A298-K301 PolarHBondContact O-N 2.86Å; A298-V302 WeakPolarHBondContact O-CG2 3.34Å; A298-V302 PolarHBondContact O-N 3.28Å; A298-V302 VanDerWaalsContact O-N 3.13Å; A298-I462 HydrophobicContact CB-CD1 3.85Å |
| 299 | A | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L257 D295 V296 K301 V302 A303 | L257-A299 HydrophobicContact CD2-CB 4.45Å; L257-A299 WeakPolarHBondContact CD2-O 3.16Å; L257-A299 HydrophobicContact CG-CB 4.01Å; L257-A299 VanDerWaalsContact O-CB 3.29Å; L257-A299 WeakPolarHBondContact O-CB 3.26Å; D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.44Å; D295-A299 PolarHBondContact O-N 2.95Å; V296-A299 PolarHBondContact O-N 2.98Å; A299-K301 PolarHBondContact O-N 2.89Å; A299-V302 PolarHBondContact O-N 3.49Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.42Å; A299-A303 PolarHBondContact O-N 2.88Å |
| 300 | E | 96.3 | Very high | 93 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59 | -44.9 | 175.3 | -76.7 | -176.8 | 148.9 | 0 | 0 | 112.4 | V296 V302 A303 A304 K312 | V296-E300 WeakPolarHBondContact O-CG 3.46Å; V296-E300 PolarHBondContact O-N 3.37Å; E300-V302 VanDerWaalsContact C-N 3.34Å; E300-V302 PolarHBondContact O-N 3.44Å; E300-A303 PolarHBondContact O-N 2.95Å; E300-A304 WeakPolarHBondContact O-CB 3.3Å; E300-A304 PolarHBondContact O-N 2.81Å; E300-K312 HydrophobicContact CG-CD 3.76Å; E300-K312 WeakPolarHBondContact OE1-CD 3.22Å; E300-K312 VanDerWaalsContact OE1-CE 3.23Å; E300-K312 WeakPolarHBondContact OE1-CE 3.47Å; E300-K312 IonicContact OE1-NZ 2.68Å; E300-K312 PolarHBondContact OE1-NZ 3.02Å |
| 301 | K | 97.1 | Very high | 93.7 | Very high | 91 Ų | 91 | 45 Ų | 45 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 176.8 | -72.1 | 169.6 | 162.6 | -153.4 | 0 | 111.5 | M297 A298 A299 H305 E461 | M297-K301 WeakPolarHBondContact O-CG 3.15Å; M297-K301 PolarHBondContact O-N 3.29Å; A298-K301 PolarHBondContact O-N 2.86Å; A299-K301 PolarHBondContact O-N 2.89Å; K301-H305 WeakPolarHBondContact O-CB 3.37Å; K301-H305 PolarHBondContact O-N 3.41Å; K301-E461 VanDerWaalsContact CD-OE1 3.27Å; K301-E461 WeakPolarHBondContact CD-OE1 3.41Å; K301-E461 WeakPolarHBondContact CE-OE1 3.48Å; K301-E461 IonicContact NZ-OE1 3.9Å; K301-E461 PolarHBondContact NZ-OE1 2.73Å; K301-E461 IonicContact NZ-OE2 3.98Å; K301-E461 PolarHBondContact NZ-OE2 3.23Å |
| 302 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | L257 S264 A298 A299 E300 A304 H305 I306 I458 I462 | L257-V302 HydrophobicContact CD1-CB 4.14Å; L257-V302 HydrophobicContact CD1-CG1 3.79Å; L257-V302 HydrophobicContact CD2-CB 4.24Å; L257-V302 HydrophobicContact CD2-CG1 4.2Å; S264-V302 WeakPolarHBondContact OG-CG2 3.46Å; A298-V302 WeakPolarHBondContact O-CG2 3.34Å; A298-V302 PolarHBondContact O-N 3.28Å; A298-V302 VanDerWaalsContact O-N 3.13Å; A299-V302 PolarHBondContact O-N 3.49Å; E300-V302 VanDerWaalsContact C-N 3.34Å; E300-V302 PolarHBondContact O-N 3.44Å; V302-A304 VanDerWaalsContact C-N 3.34Å; V302-A304 PolarHBondContact O-N 3.19Å; V302-H305 WeakPolarHBondContact O-CB 3.38Å; V302-H305 PolarHBondContact O-N 3.45Å; V302-H305 VanDerWaalsContact O-N 3.15Å; V302-I306 HydrophobicContact CG1-CD1 4.45Å; V302-I306 HydrophobicContact CG1-CG2 4.36Å; V302-I306 WeakPolarHBondContact O-CG1 3.37Å; V302-I306 PolarHBondContact O-N 3.4Å; V302-I458 HydrophobicContact CG1-CG2 4.4Å; V302-I462 HydrophobicContact CG2-CB 4.2Å; V302-I462 HydrophobicContact CG2-CD1 4.13Å; V302-I462 HydrophobicContact CG2-CG1 3.75Å; V302-I462 HydrophobicContact CG2-CG2 3.77Å |
| 303 | A | 98.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L257 A299 E300 H305 G307 S308 H310 | L257-A303 HydrophobicContact CD2-CB 3.99Å; A299-A303 VanDerWaalsContact O-CB 3.31Å; A299-A303 WeakPolarHBondContact O-CB 3.42Å; A299-A303 PolarHBondContact O-N 2.88Å; E300-A303 PolarHBondContact O-N 2.95Å; A303-H305 VanDerWaalsContact C-N 3.35Å; A303-G307 WeakPolarHBondContact O-CA 3.26Å; A303-G307 PolarHBondContact O-N 3.15Å; A303-S308 WeakPolarHBondContact CA-OG 3.47Å; A303-S308 WeakPolarHBondContact CB-OG 3.45Å; A303-S308 PolarHBondContact O-N 3.46Å; A303-H310 HydrophobicContact CB-CB 3.64Å |
| 304 | A | 98.1 | Very high | 95.5 | Very high | 83 Ų | 83 | 46 Ų | 46 | 69% | 0.686 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.5 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E300 V302 | E300-A304 WeakPolarHBondContact O-CB 3.3Å; E300-A304 PolarHBondContact O-N 2.81Å; V302-A304 VanDerWaalsContact C-N 3.34Å; V302-A304 PolarHBondContact O-N 3.19Å |
| 305 | H | 98.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 177.6 | -176.6 | 90 | 0 | 0 | 0 | 112.7 | K301 V302 A303 N456 P459 | K301-H305 WeakPolarHBondContact O-CB 3.37Å; K301-H305 PolarHBondContact O-N 3.41Å; V302-H305 WeakPolarHBondContact O-CB 3.38Å; V302-H305 PolarHBondContact O-N 3.45Å; V302-H305 VanDerWaalsContact O-N 3.15Å; A303-H305 VanDerWaalsContact C-N 3.35Å; H305-N456 PolarHBondContact CE1-OD1 3.44Å; H305-N456 VanDerWaalsContact CE1-OD1 3.27Å; H305-N456 PolarHBondContact NE2-O 2.91Å; H305-P459 HydrophobicContact CB-CG 3.75Å |
| 306 | I | 97.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.8 | -26.5 | -176.8 | 70.3 | 179.2 | 0 | 0 | 0 | 111.7 | A267 A268 L271 V302 | A267-I306 HydrophobicContact CB-CD1 4.02Å; A268-I306 HydrophobicContact CB-CG2 3.77Å; L271-I306 VanDerWaalsContact CD2-C 3.44Å; L271-I306 HydrophobicContact CD2-CB 3.67Å; L271-I306 HydrophobicContact CD2-CD1 4.17Å; L271-I306 HydrophobicContact CD2-CG1 3.74Å; L271-I306 WeakPolarHBondContact CD2-O 3.46Å; V302-I306 HydrophobicContact CG1-CD1 4.45Å; V302-I306 HydrophobicContact CG1-CG2 4.36Å; V302-I306 WeakPolarHBondContact O-CG1 3.37Å; V302-I306 PolarHBondContact O-N 3.4Å |
| 307 | G | 96.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 43.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A303 | A303-G307 WeakPolarHBondContact O-CA 3.26Å; A303-G307 PolarHBondContact O-N 3.15Å |
| 308 | S | 96.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | trans | -83.7 | 160.5 | 175.7 | 57 | 0 | 0 | 0 | 0 | 112.4 | T285 A303 H310 | T285-S308 WeakPolarHBondContact OG1-CB 3.24Å; T285-S308 PolarHBondContact OG1-OG 2.93Å; A303-S308 WeakPolarHBondContact CA-OG 3.47Å; A303-S308 WeakPolarHBondContact CB-OG 3.45Å; A303-S308 PolarHBondContact O-N 3.46Å; S308-H310 PolarHBondContact O-N 3.3Å; S308-H310 VanDerWaalsContact O-N 3.16Å | ||
| 309 | E | 96.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 93.4 | 168.3 | -171.6 | -164.3 | 134.8 | 0 | 0 | 108.5 | R252 I283 Q284 T285 H311 | R252-E309 IonicContact CZ-OE2 3.63Å; R252-E309 IonicContact NH2-OE2 3.45Å; R252-E309 PolarHBondContact NH2-OE2 3.14Å; I283-E309 PolarHBondContact O-N 3.18Å; I283-E309 VanDerWaalsContact O-N 3.11Å; Q284-E309 VanDerWaalsContact CA-O 3.28Å; Q284-E309 WeakPolarHBondContact CA-O 3.27Å; Q284-E309 HydrophobicContact CG-CB 4.07Å; Q284-E309 VanDerWaalsContact CG-CD 3.48Å; Q284-E309 HydrophobicContact CG-CG 4.16Å; Q284-E309 WeakPolarHBondContact CG-OE1 3.44Å; Q284-E309 PolarHBondContact NE2-OE1 2.9Å; T285-E309 PolarHBondContact N-O 2.89Å; E309-H311 PolarHBondContact O-CD2 2.91Å; E309-H311 IonicContact OE1-CE1 2.71Å; E309-H311 IonicContact OE1-NE2 3.84Å; E309-H311 PolarHBondContact OE1-NE2 3.05Å |
| 310 | H | 98.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 22% | 0.222 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.5 | -170.7 | -164.4 | 34.1 | 0 | 0 | 0 | 113.8 | T285 S287 A303 S308 | T285-H310 WeakPolarHBondContact O-CA 3.39Å; T285-H310 PolarHBondContact O-ND1 3.48Å; T285-H310 PolarHBondContact OG1-ND1 3.31Å; S287-H310 PolarHBondContact OG-CE1 2.87Å; S287-H310 PolarHBondContact OG-NE2 3.13Å; A303-H310 HydrophobicContact CB-CB 3.64Å; S308-H310 PolarHBondContact O-N 3.3Å; S308-H310 VanDerWaalsContact O-N 3.16Å |
| 311 | H | 98.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.9 | 173.7 | -66.9 | -102.6 | 0 | 0 | 0 | 109.1 | T285 F286 S287 E309 Y351 | T285-H311 PolarHBondContact O-N 2.85Å; F286-H311 WeakPolarHBondContact CA-O 3.43Å; F286-H311 HydrophobicContact CD1-CB 3.55Å; F286-H311 AromaticContact CD1-CG 3.98Å; F286-H311 HydrophobicContact CE1-CB 3.84Å; F286-H311 AromaticContact CE1-CD2 3.8Å; F286-H311 AromaticContact CE1-CG 3.71Å; S287-H311 PolarHBondContact N-O 2.88Å; E309-H311 PolarHBondContact O-CD2 2.91Å; E309-H311 IonicContact OE1-CE1 2.71Å; E309-H311 IonicContact OE1-NE2 3.84Å; E309-H311 PolarHBondContact OE1-NE2 3.05Å; H311-Y351 HydrophobicContact CB-CE1 4.15Å; H311-Y351 AromaticContact ND1-CE1 3.92Å |
| 312 | K | 96.2 | Very high | 93.6 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.2 | 173.5 | -58 | -173 | -60.3 | 171.7 | 0 | 108.5 | V296 E300 | V296-K312 HydrophobicContact CG1-CD 4.1Å; E300-K312 HydrophobicContact CG-CD 3.76Å; E300-K312 WeakPolarHBondContact OE1-CD 3.22Å; E300-K312 VanDerWaalsContact OE1-CE 3.23Å; E300-K312 WeakPolarHBondContact OE1-CE 3.47Å; E300-K312 IonicContact OE1-NZ 2.68Å; E300-K312 PolarHBondContact OE1-NZ 3.02Å |
| 313 | V | 95.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.8 | 179.1 | -174 | 0 | 0 | 0 | 0 | 108.1 | S287 I288 G289 V348 Y351 | S287-V313 WeakPolarHBondContact O-CB 3.21Å; S287-V313 PolarHBondContact O-N 3.06Å; I288-V313 VanDerWaalsContact CA-O 3.3Å; I288-V313 WeakPolarHBondContact CA-O 3.46Å; I288-V313 HydrophobicContact CB-CB 4.09Å; I288-V313 HydrophobicContact CD1-CB 4.41Å; I288-V313 HydrophobicContact CD1-CG1 4Å; I288-V313 HydrophobicContact CG1-CB 4.09Å; I288-V313 HydrophobicContact CG1-CG1 4.15Å; G289-V313 PolarHBondContact N-O 3.47Å; G289-V313 VanDerWaalsContact N-O 3.07Å; V313-V348 HydrophobicContact CG2-CG2 3.98Å; V313-Y351 HydrophobicContact CB-CD2 4.45Å; V313-Y351 HydrophobicContact CB-CG 4.39Å; V313-Y351 HydrophobicContact CG1-CD2 3.88Å; V313-Y351 HydrophobicContact CG1-CG 3.97Å; V313-Y351 HydrophobicContact CG2-CD1 3.49Å; V313-Y351 VanDerWaalsContact CG2-CD1 3.49Å; V313-Y351 HydrophobicContact CG2-CD2 3.88Å; V313-Y351 HydrophobicContact CG2-CE1 3.9Å; V313-Y351 HydrophobicContact CG2-CE2 4.22Å; V313-Y351 HydrophobicContact CG2-CG 3.49Å; V313-Y351 VanDerWaalsContact CG2-CG 3.49Å |
| 314 | E | 92.3 | Very high | 93.3 | Very high | 149 Ų | 149 | 53 Ų | 53 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.3 | 176 | -171 | 174.6 | -177.6 | 0 | 0 | 109.9 | ||
| 315 | F | 88.4 | Confident | 93.3 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -121.9 | 125.2 | 174.2 | 174.3 | -96.5 | 0 | 0 | 0 | 110.3 | I288 G289 V343 L347 M475 W481 | I288-F315 HydrophobicContact CD1-CB 4.32Å; I288-F315 HydrophobicContact CD1-CD2 4.39Å; I288-F315 HydrophobicContact CG1-CB 3.86Å; G289-F315 PolarHBondContact O-N 3.49Å; F315-V343 HydrophobicContact CE2-CG1 3.86Å; F315-V343 HydrophobicContact CZ-CG1 4.29Å; F315-L347 HydrophobicContact CD2-CD1 3.64Å; F315-L347 HydrophobicContact CE2-CD1 3.62Å; F315-M475 HydrophobicContact CD1-CG 4.3Å; F315-M475 HydrophobicContact CD1-SD 3.47Å; F315-M475 WeakPolarHBondContact CD1-SD 3.45Å; F315-M475 HydrophobicContact CE1-CG 4.12Å; F315-M475 HydrophobicContact CE1-SD 3.54Å; F315-M475 VanDerWaalsContact CE1-SD 3.54Å; F315-W481 HydrophobicContact CE1-CB 4.48Å; F315-W481 HydrophobicContact CZ-CD2 4.27Å; F315-W481 HydrophobicContact CZ-CE3 4.21Å | ||
| 316 | T | 87.2 | Confident | 93.3 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | trans | -108.6 | 147.3 | 170.6 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | E318 E319 G320 | T316-E318 PolarHBondContact O-N 3.05Å; T316-E319 PolarHBondContact N-OE2 3.34Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 WeakPolarHBondContact OG1-CB 3.31Å; T316-E319 VanDerWaalsContact OG1-CD 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.4Å; T316-E319 PolarHBondContact OG1-N 3.47Å; T316-E319 PolarHBondContact OG1-OE2 3Å; T316-G320 PolarHBondContact O-N 2.88Å | ||
| 317 | A | 83.9 | Confident | 93.3 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G320 V321 M475 W481 Y484 | A317-G320 PolarHBondContact O-N 3.37Å; A317-V321 WeakPolarHBondContact O-CG2 3.43Å; A317-V321 PolarHBondContact O-N 2.86Å; A317-M475 HydrophobicContact CB-CE 4.18Å; A317-W481 HydrophobicContact CB-CE3 4.27Å; A317-W481 VanDerWaalsContact O-CZ3 3.28Å; A317-W481 WeakPolarHBondContact O-CZ3 3.16Å; A317-Y484 HydrophobicContact CB-CD1 3.97Å; A317-Y484 HydrophobicContact CB-CD2 3.56Å; A317-Y484 HydrophobicContact CB-CE1 4.41Å; A317-Y484 HydrophobicContact CB-CE2 4.06Å; A317-Y484 HydrophobicContact CB-CG 3.51Å |
| 318 | E | 85.6 | Confident | 93.4 | Very high | 126 Ų | 126 | 49.6 Ų | 49.6 | 59% | 0.589 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.4 | -44.8 | 177.7 | -174.3 | -178.3 | 166.7 | 0 | 0 | 112 | T316 G320 V321 K322 | T316-E318 PolarHBondContact O-N 3.05Å; E318-G320 VanDerWaalsContact C-N 3.28Å; E318-G320 PolarHBondContact O-N 2.79Å; E318-V321 PolarHBondContact O-N 2.77Å; E318-K322 HydrophobicContact CG-CD 4.43Å; E318-K322 WeakPolarHBondContact O-CG 3.19Å; E318-K322 PolarHBondContact O-N 3.05Å; E318-K322 VanDerWaalsContact O-N 3.12Å; E318-K322 VanDerWaalsContact OE1-CE 3.32Å; E318-K322 WeakPolarHBondContact OE1-CE 3.14Å; E318-K322 IonicContact OE1-NZ 2.96Å; E318-K322 PolarHBondContact OE1-NZ 3.22Å |
| 319 | E | 89.4 | Confident | 93.5 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 172.8 | -72 | 168.3 | 143.1 | 0 | 0 | 111.2 | T316 V321 K322 A323 | T316-E319 PolarHBondContact N-OE2 3.34Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 WeakPolarHBondContact OG1-CB 3.31Å; T316-E319 VanDerWaalsContact OG1-CD 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.4Å; T316-E319 PolarHBondContact OG1-N 3.47Å; T316-E319 PolarHBondContact OG1-OE2 3Å; E319-V321 PolarHBondContact O-N 2.79Å; E319-K322 PolarHBondContact O-N 3.11Å; E319-A323 WeakPolarHBondContact O-CB 3.16Å; E319-A323 PolarHBondContact O-N 3.03Å |
| 320 | G | 89.5 | Confident | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.5 | -50 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | T316 A317 E318 A323 V324 | T316-G320 PolarHBondContact O-N 2.88Å; A317-G320 PolarHBondContact O-N 3.37Å; E318-G320 VanDerWaalsContact C-N 3.28Å; E318-G320 PolarHBondContact O-N 2.79Å; G320-A323 PolarHBondContact O-N 3.49Å; G320-V324 WeakPolarHBondContact O-CG2 3.36Å; G320-V324 PolarHBondContact O-N 2.88Å |
| 321 | V | 88.6 | Confident | 93.6 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | A317 E318 E319 A323 V324 W481 | A317-V321 WeakPolarHBondContact O-CG2 3.43Å; A317-V321 PolarHBondContact O-N 2.86Å; E318-V321 PolarHBondContact O-N 2.77Å; E319-V321 PolarHBondContact O-N 2.79Å; V321-A323 PolarHBondContact O-N 3.39Å; V321-V324 PolarHBondContact O-N 3.35Å; V321-W481 HydrophobicContact CB-CH2 4.25Å; V321-W481 HydrophobicContact CB-CZ3 4.46Å; V321-W481 HydrophobicContact CG2-CH2 3.65Å; V321-W481 HydrophobicContact CG2-CZ3 3.57Å |
| 322 | K | 91.3 | Very high | 93.6 | Very high | 139 Ų | 139 | 45.5 Ų | 45.5 | 60% | 0.604 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.6 | -31 | -179.2 | -70.7 | 174 | -174.8 | 170.4 | 0 | 112.6 | E318 E319 | E318-K322 HydrophobicContact CG-CD 4.43Å; E318-K322 WeakPolarHBondContact O-CG 3.19Å; E318-K322 PolarHBondContact O-N 3.05Å; E318-K322 VanDerWaalsContact O-N 3.12Å; E318-K322 VanDerWaalsContact OE1-CE 3.32Å; E318-K322 WeakPolarHBondContact OE1-CE 3.14Å; E318-K322 IonicContact OE1-NZ 2.96Å; E318-K322 PolarHBondContact OE1-NZ 3.22Å; E319-K322 PolarHBondContact O-N 3.11Å |
| 323 | A | 95.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.3 | -15.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E319 G320 V321 E325 D326 V327 V343 L347 | E319-A323 WeakPolarHBondContact O-CB 3.16Å; E319-A323 PolarHBondContact O-N 3.03Å; G320-A323 PolarHBondContact O-N 3.49Å; V321-A323 PolarHBondContact O-N 3.39Å; A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 2.87Å; A323-D326 PolarHBondContact O-N 2.82Å; A323-V327 HydrophobicContact CB-CG2 4.36Å; A323-V327 WeakPolarHBondContact O-CB 3.39Å; A323-V327 WeakPolarHBondContact O-CG2 3.45Å; A323-V327 PolarHBondContact O-N 3.29Å; A323-V343 HydrophobicContact CB-CG1 4.35Å; A323-L347 HydrophobicContact CB-CD2 4.25Å; A323-L347 HydrophobicContact CB-CG 4.48Å |
| 324 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | -172.3 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | G320 V321 V327 I328 V339 V343 W481 Y517 Y518 | G320-V324 WeakPolarHBondContact O-CG2 3.36Å; G320-V324 PolarHBondContact O-N 2.88Å; V321-V324 PolarHBondContact O-N 3.35Å; V324-V327 PolarHBondContact O-N 2.86Å; V324-I328 HydrophobicContact CG1-CD1 3.74Å; V324-I328 HydrophobicContact CG1-CG1 4.39Å; V324-I328 WeakPolarHBondContact O-CG1 3.49Å; V324-I328 PolarHBondContact O-N 2.82Å; V324-V339 HydrophobicContact CG1-CG1 4.29Å; V324-V343 HydrophobicContact CG2-CG2 4.22Å; V324-W481 HydrophobicContact CG2-CH2 4.36Å; V324-W481 HydrophobicContact CG2-CZ2 4.2Å; V324-Y517 HydrophobicContact CB-CE1 4.5Å; V324-Y517 HydrophobicContact CG1-CE1 3.85Å; V324-Y518 HydrophobicContact CG1-CD1 3.99Å; V324-Y518 HydrophobicContact CG1-CE1 3.72Å |
| 325 | E | 96.6 | Very high | 94 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 31% | 0.308 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.7 | -47.5 | -179.5 | -67.8 | -159.9 | -170.5 | 0 | 0 | 112.5 | A323 V327 I328 F329 V521 K524 F525 | A323-E325 VanDerWaalsContact C-N 3.34Å; A323-E325 PolarHBondContact O-N 2.87Å; E325-V327 VanDerWaalsContact C-N 3.29Å; E325-V327 PolarHBondContact O-N 2.72Å; E325-I328 PolarHBondContact O-N 2.78Å; E325-F329 PolarHBondContact O-N 3.44Å; E325-V521 HydrophobicContact CB-CG1 4.17Å; E325-V521 HydrophobicContact CG-CG1 3.91Å; E325-V521 HydrophobicContact CG-CG2 4.21Å; E325-K524 IonicContact OE1-NZ 3.59Å; E325-K524 IonicContact OE2-NZ 3.21Å; E325-K524 PolarHBondContact OE2-NZ 3.21Å; E325-F525 HydrophobicContact CB-CE2 4.3Å; E325-F525 HydrophobicContact CB-CZ 4.48Å; E325-F525 WeakPolarHBondContact O-CE2 3.23Å |
| 326 | D | 98.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.7 | -70.7 | -20.2 | 0 | 0 | 0 | 111 | A323 F329 H330 Y346 | A323-D326 PolarHBondContact O-N 2.82Å; D326-F329 WeakPolarHBondContact O-CB 3.45Å; D326-F329 PolarHBondContact O-N 2.8Å; D326-H330 PolarHBondContact O-CD2 3.24Å; D326-H330 VanDerWaalsContact O-CD2 3.23Å; D326-H330 PolarHBondContact O-N 3.35Å; D326-Y346 HydrophobicContact CB-CE1 4.39Å |
| 327 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | A323 V324 E325 F329 H330 L331 V343 Y346 | A323-V327 HydrophobicContact CB-CG2 4.36Å; A323-V327 WeakPolarHBondContact O-CB 3.39Å; A323-V327 WeakPolarHBondContact O-CG2 3.45Å; A323-V327 PolarHBondContact O-N 3.29Å; V324-V327 PolarHBondContact O-N 2.86Å; E325-V327 VanDerWaalsContact C-N 3.29Å; E325-V327 PolarHBondContact O-N 2.72Å; V327-F329 VanDerWaalsContact C-N 3.33Å; V327-F329 PolarHBondContact O-N 3.33Å; V327-H330 PolarHBondContact O-N 3.02Å; V327-L331 HydrophobicContact CG1-CD1 3.5Å; V327-L331 VanDerWaalsContact CG1-CD1 3.5Å; V327-L331 HydrophobicContact CG1-CG 4.09Å; V327-L331 WeakPolarHBondContact O-CB 3.42Å; V327-L331 WeakPolarHBondContact O-CG 3.33Å; V327-L331 PolarHBondContact O-N 2.7Å; V327-V343 HydrophobicContact CG1-CG2 4.42Å; V327-V343 HydrophobicContact CG2-CG2 4.24Å; V327-Y346 HydrophobicContact CG2-CD1 3.96Å; V327-Y346 HydrophobicContact CG2-CD2 4.27Å; V327-Y346 HydrophobicContact CG2-CG 3.75Å |
| 328 | I | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 178.2 | -71.9 | 170.5 | 0 | 0 | 0 | 111.3 | V324 E325 H330 L331 E332 V339 Y518 V521 F522 | V324-I328 HydrophobicContact CG1-CD1 3.74Å; V324-I328 HydrophobicContact CG1-CG1 4.39Å; V324-I328 WeakPolarHBondContact O-CG1 3.49Å; V324-I328 PolarHBondContact O-N 2.82Å; E325-I328 PolarHBondContact O-N 2.78Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 3.36Å; I328-L331 PolarHBondContact O-N 3.27Å; I328-E332 PolarHBondContact O-N 2.58Å; I328-V339 HydrophobicContact CD1-CG1 4.21Å; I328-V339 HydrophobicContact CD1-CG2 4.37Å; I328-V339 HydrophobicContact CG1-CG1 3.99Å; I328-V339 HydrophobicContact CG1-CG2 3.81Å; I328-Y518 HydrophobicContact CD1-CD1 3.91Å; I328-Y518 HydrophobicContact CD1-CG 4.13Å; I328-V521 HydrophobicContact CB-CG1 3.9Å; I328-V521 HydrophobicContact CD1-CB 3.78Å; I328-V521 HydrophobicContact CD1-CG1 3.75Å; I328-V521 HydrophobicContact CD1-CG2 4.47Å; I328-V521 HydrophobicContact CG1-CG1 4.41Å; I328-V521 HydrophobicContact CG2-CB 4.4Å; I328-V521 HydrophobicContact CG2-CG1 3.86Å; I328-F522 HydrophobicContact CG2-CB 3.99Å |
| 329 | F | 98.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 26 Ų | 26 | 25% | 0.254 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.5 | 171.7 | -99.9 | 0 | 0 | 0 | 112 | K162 E325 D326 V327 F525 F526 | K162-F329 HydrophobicContact CD-CE1 4.02Å; K162-F329 HydrophobicContact CD-CE2 4.41Å; K162-F329 HydrophobicContact CD-CZ 3.75Å; K162-F329 WeakPolarHBondContact CE-O 3.28Å; E325-F329 PolarHBondContact O-N 3.44Å; D326-F329 WeakPolarHBondContact O-CB 3.45Å; D326-F329 PolarHBondContact O-N 2.8Å; V327-F329 VanDerWaalsContact C-N 3.33Å; V327-F329 PolarHBondContact O-N 3.33Å; F329-F525 HydrophobicContact CB-CD2 4.06Å; F329-F525 HydrophobicContact CB-CE2 4.01Å; F329-F525 HydrophobicContact CB-CG 4.33Å; F329-F525 HydrophobicContact CB-CZ 4.25Å; F329-F525 HydrophobicContact CD2-CB 4.35Å; F329-F525 AromaticContact CD2-CD1 3.83Å; F329-F525 HydrophobicContact CD2-CD1 3.83Å; F329-F525 HydrophobicContact CD2-CE1 4.24Å; F329-F525 HydrophobicContact CD2-CG 4.03Å; F329-F526 HydrophobicContact CD2-CZ 4.04Å; F329-F526 HydrophobicContact CE2-CZ 4.4Å; F329-F526 WeakPolarHBondContact O-CZ 3.47Å |
| 330 | H | 98.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 21.7 Ų | 21.7 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.8 | -40.3 | 179.2 | -82 | -71.7 | 0 | 0 | 0 | 112.8 | H26 K162 D326 V327 I328 Y346 R407 A411 | H26-H330 AromaticContact CD2-CE1 3.87Å; H26-H330 AromaticContact CD2-ND1 3.92Å; H26-H330 AromaticContact CG-CE1 3.88Å; H26-H330 AromaticContact NE2-CE1 3.96Å; H26-H330 AromaticContact NE2-ND1 3.73Å; K162-H330 PolarHBondContact NZ-O 3.29Å; D326-H330 PolarHBondContact O-CD2 3.24Å; D326-H330 VanDerWaalsContact O-CD2 3.23Å; D326-H330 PolarHBondContact O-N 3.35Å; V327-H330 PolarHBondContact O-N 3.02Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 3.36Å; H330-Y346 AromaticContact CD2-CE2 3.64Å; H330-R407 WeakPolarHBondContact O-CB 3.49Å; H330-R407 WeakPolarHBondContact O-CD 3.34Å; H330-R407 WeakPolarHBondContact O-CG 3.34Å; H330-A411 HydrophobicContact CB-CB 4.33Å |
| 331 | L | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.9 | -37.2 | -179.3 | -70.2 | 171.5 | 0 | 0 | 0 | 113.4 | V327 I328 T333 T338 V339 S342 L403 R404 R407 T408 | V327-L331 HydrophobicContact CG1-CD1 3.5Å; V327-L331 VanDerWaalsContact CG1-CD1 3.5Å; V327-L331 HydrophobicContact CG1-CG 4.09Å; V327-L331 WeakPolarHBondContact O-CB 3.42Å; V327-L331 WeakPolarHBondContact O-CG 3.33Å; V327-L331 PolarHBondContact O-N 2.7Å; I328-L331 PolarHBondContact O-N 3.27Å; L331-T333 VanDerWaalsContact C-N 3.26Å; L331-T333 HydrophobicContact CB-CG2 3.94Å; L331-T333 HydrophobicContact CD1-CG2 4.34Å; L331-T333 PolarHBondContact O-N 3.44Å; L331-T338 HydrophobicContact CD1-CG2 4.39Å; L331-T338 HydrophobicContact CD2-CG2 4.27Å; L331-V339 HydrophobicContact CD1-CB 4.48Å; L331-V339 HydrophobicContact CD1-CG2 3.95Å; L331-S342 WeakPolarHBondContact CD1-OG 3.49Å; L331-S342 VanDerWaalsContact CD2-OG 3.26Å; L331-S342 WeakPolarHBondContact CD2-OG 3.48Å; L331-L403 HydrophobicContact CB-CD2 4.01Å; L331-L403 HydrophobicContact CD2-CD2 3.56Å; L331-L403 HydrophobicContact CG-CD2 4.38Å; L331-L403 WeakPolarHBondContact O-CD2 3.15Å; L331-R404 HydrophobicContact CD2-CB 4.34Å; L331-R407 HydrophobicContact CD2-CB 4.13Å; L331-T408 HydrophobicContact CD2-CG2 4.23Å |
| 332 | E | 98.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 35.1 | -172.8 | -46.6 | 172.7 | 151.7 | 0 | 0 | 112.1 | E160 A161 K162 I328 F522 F526 W532 | E160-E332 WeakPolarHBondContact CB-OE1 3.37Å; A161-E332 VanDerWaalsContact N-CD 3.31Å; A161-E332 PolarHBondContact N-OE1 3.36Å; A161-E332 PolarHBondContact N-OE2 3.13Å; K162-E332 VanDerWaalsContact CB-OE1 3.24Å; K162-E332 WeakPolarHBondContact CB-OE1 3.15Å; K162-E332 WeakPolarHBondContact CE-OE1 3.44Å; K162-E332 VanDerWaalsContact CG-OE1 3.28Å; K162-E332 WeakPolarHBondContact CG-OE1 3.33Å; K162-E332 PolarHBondContact N-OE1 2.97Å; K162-E332 VanDerWaalsContact NZ-CD 3.32Å; K162-E332 IonicContact NZ-OE1 3.76Å; K162-E332 PolarHBondContact NZ-OE1 2.78Å; I328-E332 PolarHBondContact O-N 2.58Å; E332-F522 WeakPolarHBondContact O-CE2 3.43Å; E332-F526 HydrophobicContact CB-CE2 4.19Å; E332-F526 HydrophobicContact CB-CZ 4.4Å; E332-F526 HydrophobicContact CG-CE2 4.05Å; E332-F526 HydrophobicContact CG-CZ 3.81Å; E332-W532 HydrophobicContact CB-CE3 4.18Å; E332-W532 HydrophobicContact CB-CZ3 4.1Å |
| 333 | T | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.018 | 7% | 0.073 | C | C | . | . | trans | -146.5 | 163.3 | 175.9 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | L331 D335 T338 L403 | L331-T333 VanDerWaalsContact C-N 3.26Å; L331-T333 HydrophobicContact CB-CG2 3.94Å; L331-T333 HydrophobicContact CD1-CG2 4.34Å; L331-T333 PolarHBondContact O-N 3.44Å; T333-D335 HydrophobicContact CG2-CB 4.48Å; T333-D335 PolarHBondContact OG1-N 3.3Å; T333-T338 HydrophobicContact CG2-CG2 3.93Å; T333-L403 HydrophobicContact CG2-CD2 4Å | ||
| 334 | Y | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -120.8 | 13.3 | 177.6 | 54 | -86.4 | 0 | 0 | 0 | 112.3 | I336 H507 N508 F522 A530 L533 Y536 | Y334-I336 PolarHBondContact O-N 3.11Å; Y334-H507 PolarHBondContact OH-CD2 3.04Å; Y334-N508 HydrophobicContact CE2-CB 3.99Å; Y334-N508 PolarHBondContact OH-ND2 3.29Å; Y334-F522 HydrophobicContact CD1-CB 4.28Å; Y334-F522 AromaticContact CD1-CD1 3.7Å; Y334-F522 HydrophobicContact CD1-CD1 3.7Å; Y334-F522 AromaticContact CD1-CD2 3.96Å; Y334-F522 HydrophobicContact CD1-CD2 3.96Å; Y334-F522 AromaticContact CD1-CE1 4Å; Y334-F522 HydrophobicContact CD1-CE1 4Å; Y334-F522 HydrophobicContact CD1-CE2 4.23Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.25Å; Y334-F522 HydrophobicContact CE1-CD1 4.28Å; Y334-F522 HydrophobicContact CE1-CE1 4.19Å; Y334-F522 HydrophobicContact CE1-CZ 4.44Å; Y334-F522 HydrophobicContact CG-CB 4.49Å; Y334-F522 HydrophobicContact CG-CG 4.36Å; Y334-A530 HydrophobicContact CE1-CB 3.9Å; Y334-A530 WeakPolarHBondContact CE1-O 3.25Å; Y334-A530 PolarHBondContact OH-O 3.19Å; Y334-L533 HydrophobicContact CD2-CD2 4.06Å; Y334-L533 HydrophobicContact CE1-CB 3.86Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.72Å; Y334-L533 HydrophobicContact CG-CD2 4.44Å; Y334-L533 PolarHBondContact OH-O 3.43Å; Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.78Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.37Å; Y334-Y536 HydrophobicContact CE2-CE1 4.01Å; Y334-Y536 HydrophobicContact CE2-CE2 4.43Å; Y334-Y536 AromaticContact CE2-CZ 3.73Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.32Å | ||
| 335 | D | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -64.2 | 131.6 | 177.3 | 177 | 71.8 | 0 | 0 | 0 | 112.1 | T333 T337 T338 V339 F400 L533 Y536 W537 | T333-D335 HydrophobicContact CG2-CB 4.48Å; T333-D335 PolarHBondContact OG1-N 3.3Å; D335-T337 PolarHBondContact OD2-N 2.72Å; D335-T338 PolarHBondContact O-N 3.32Å; D335-T338 VanDerWaalsContact OD2-CB 3.28Å; D335-T338 WeakPolarHBondContact OD2-CB 3.2Å; D335-T338 PolarHBondContact OD2-N 3.31Å; D335-T338 PolarHBondContact OD2-OG1 3.15Å; D335-V339 WeakPolarHBondContact O-CB 3.36Å; D335-V339 VanDerWaalsContact O-CG2 3.26Å; D335-V339 WeakPolarHBondContact O-CG2 3.16Å; D335-V339 PolarHBondContact O-N 3.02Å; D335-F400 HydrophobicContact CB-CE1 4.45Å; D335-L533 HydrophobicContact CB-CD1 4.48Å; D335-L533 HydrophobicContact CB-CD2 3.87Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.03Å; D335-W537 PolarHBondContact OD1-N 3.04Å | ||
| 336 | I | 92.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.031 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.7 | -52.2 | -172.5 | -53.7 | 170.3 | 0 | 0 | 0 | 111.4 | Y334 T338 V339 R340 A515 Y518 Y536 | Y334-I336 PolarHBondContact O-N 3.11Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 3.02Å; I336-V339 PolarHBondContact O-N 3.5Å; I336-R340 WeakPolarHBondContact O-CB 3.33Å; I336-R340 WeakPolarHBondContact O-CG 3.38Å; I336-R340 PolarHBondContact O-N 3.16Å; I336-A515 HydrophobicContact CD1-CB 3.7Å; I336-A515 HydrophobicContact CG1-CB 3.86Å; I336-Y518 HydrophobicContact CG2-CE2 4.39Å; I336-Y536 HydrophobicContact CG1-CD1 4.34Å; I336-Y536 HydrophobicContact CG1-CE1 4.32Å |
| 337 | T | 89.9 | Confident | 96.3 | Very high | 33 Ų | 33 | 9.4 Ų | 9.4 | 20% | 0.202 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | -177.9 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | D335 A341 W537 P547 | D335-T337 PolarHBondContact OD2-N 2.72Å; T337-A341 WeakPolarHBondContact O-CB 3.47Å; T337-A341 PolarHBondContact O-N 3.08Å; T337-A341 VanDerWaalsContact O-N 3.13Å; T337-W537 HydrophobicContact CG2-CD2 4.5Å; T337-W537 HydrophobicContact CG2-CE3 4.18Å; T337-P547 WeakPolarHBondContact OG1-CB 3.49Å; T337-P547 WeakPolarHBondContact OG1-CG 3.44Å |
| 338 | T | 95.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 3% | 0.025 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | -178.9 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | L331 T333 D335 I336 S342 L403 R404 | L331-T338 HydrophobicContact CD1-CG2 4.39Å; L331-T338 HydrophobicContact CD2-CG2 4.27Å; T333-T338 HydrophobicContact CG2-CG2 3.93Å; D335-T338 PolarHBondContact O-N 3.32Å; D335-T338 VanDerWaalsContact OD2-CB 3.28Å; D335-T338 WeakPolarHBondContact OD2-CB 3.2Å; D335-T338 PolarHBondContact OD2-N 3.31Å; D335-T338 PolarHBondContact OD2-OG1 3.15Å; I336-T338 VanDerWaalsContact C-N 3.3Å; I336-T338 PolarHBondContact O-N 3.02Å; T338-S342 WeakPolarHBondContact O-CB 3.3Å; T338-S342 PolarHBondContact O-N 2.85Å; T338-S342 PolarHBondContact O-OG 3.27Å; T338-L403 HydrophobicContact CG2-CD2 3.99Å; T338-R404 HydrophobicContact CG2-CB 3.99Å |
| 339 | V | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V324 I328 L331 D335 I336 A341 S342 V343 Y518 | V324-V339 HydrophobicContact CG1-CG1 4.29Å; I328-V339 HydrophobicContact CD1-CG1 4.21Å; I328-V339 HydrophobicContact CD1-CG2 4.37Å; I328-V339 HydrophobicContact CG1-CG1 3.99Å; I328-V339 HydrophobicContact CG1-CG2 3.81Å; L331-V339 HydrophobicContact CD1-CB 4.48Å; L331-V339 HydrophobicContact CD1-CG2 3.95Å; D335-V339 WeakPolarHBondContact O-CB 3.36Å; D335-V339 VanDerWaalsContact O-CG2 3.26Å; D335-V339 WeakPolarHBondContact O-CG2 3.16Å; D335-V339 PolarHBondContact O-N 3.02Å; I336-V339 PolarHBondContact O-N 3.5Å; V339-A341 PolarHBondContact O-N 3.42Å; V339-S342 WeakPolarHBondContact O-CB 3.1Å; V339-S342 PolarHBondContact O-N 2.9Å; V339-S342 VanDerWaalsContact O-N 3.12Å; V339-V343 PolarHBondContact O-N 2.97Å; V339-Y518 HydrophobicContact CB-CD2 3.82Å; V339-Y518 HydrophobicContact CB-CE2 3.59Å; V339-Y518 HydrophobicContact CB-CG 4.43Å; V339-Y518 HydrophobicContact CG1-CD1 4.11Å; V339-Y518 HydrophobicContact CG1-CD2 3.93Å; V339-Y518 HydrophobicContact CG1-CE1 3.78Å; V339-Y518 HydrophobicContact CG1-CE2 3.56Å; V339-Y518 HydrophobicContact CG1-CG 4.17Å; V339-Y518 VanDerWaalsContact CG1-CZ 3.45Å; V339-Y518 HydrophobicContact CG2-CD2 4.1Å; V339-Y518 HydrophobicContact CG2-CE2 4.38Å; V339-Y518 HydrophobicContact CG2-CG 4.46Å |
| 340 | R | 90.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.2 | -49.8 | 179.7 | -75.6 | 178.7 | -179.8 | 147.5 | 1.3 | 112.6 | I336 S342 Y482 E514 D546 S548 | I336-R340 WeakPolarHBondContact O-CB 3.33Å; I336-R340 WeakPolarHBondContact O-CG 3.38Å; I336-R340 PolarHBondContact O-N 3.16Å; R340-S342 VanDerWaalsContact C-N 3.27Å; R340-S342 PolarHBondContact O-N 3.48Å; R340-Y482 VanDerWaalsContact NH2-CD2 3.34Å; R340-E514 VanDerWaalsContact CG-OE1 3.29Å; R340-E514 WeakPolarHBondContact CG-OE1 3.19Å; R340-E514 IonicContact CZ-OE1 3.05Å; R340-E514 VanDerWaalsContact CZ-OE1 3.31Å; R340-E514 IonicContact CZ-OE2 3.74Å; R340-E514 IonicContact NE-OE1 3.39Å; R340-E514 PolarHBondContact NE-OE1 3.08Å; R340-E514 IonicContact NE-OE2 3.15Å; R340-E514 PolarHBondContact NE-OE2 2.77Å; R340-E514 IonicContact NH2-OE1 2.84Å; R340-E514 PolarHBondContact NH2-OE1 2.82Å; R340-E514 IonicContact NH2-OE2 3.43Å; R340-E514 PolarHBondContact NH2-OE2 3.14Å; R340-D546 IonicContact CZ-OD1 3.55Å; R340-D546 IonicContact CZ-OD2 2.68Å; R340-D546 IonicContact NH1-OD1 3.96Å; R340-D546 PolarHBondContact NH1-OD1 2.8Å; R340-D546 IonicContact NH1-OD2 2.66Å; R340-D546 PolarHBondContact NH1-OD2 3.49Å; R340-D546 IonicContact NH2-OD1 2.66Å; R340-D546 IonicContact NH2-OD2 3.5Å; R340-D546 PolarHBondContact NH2-OD2 2.74Å; R340-S548 PolarHBondContact NH1-OG 2.99Å |
| 341 | A | 91.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 13.1 Ų | 13.1 | 7% | 0.066 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.2 | -26.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T337 V339 F470 | T337-A341 WeakPolarHBondContact O-CB 3.47Å; T337-A341 PolarHBondContact O-N 3.08Å; T337-A341 VanDerWaalsContact O-N 3.13Å; V339-A341 PolarHBondContact O-N 3.42Å; A341-F470 HydrophobicContact CB-CD1 4.14Å; A341-F470 WeakPolarHBondContact O-CD1 3.47Å; A341-F470 VanDerWaalsContact O-CE1 3.24Å; A341-F470 WeakPolarHBondContact O-CE1 3.31Å |
| 342 | S | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.6 | -26.8 | -178.7 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | L331 T338 V339 R340 G344 M345 Y346 R404 | L331-S342 WeakPolarHBondContact CD1-OG 3.49Å; L331-S342 VanDerWaalsContact CD2-OG 3.26Å; L331-S342 WeakPolarHBondContact CD2-OG 3.48Å; T338-S342 WeakPolarHBondContact O-CB 3.3Å; T338-S342 PolarHBondContact O-N 2.85Å; T338-S342 PolarHBondContact O-OG 3.27Å; V339-S342 WeakPolarHBondContact O-CB 3.1Å; V339-S342 PolarHBondContact O-N 2.9Å; V339-S342 VanDerWaalsContact O-N 3.12Å; R340-S342 VanDerWaalsContact C-N 3.27Å; R340-S342 PolarHBondContact O-N 3.48Å; S342-G344 PolarHBondContact O-N 2.89Å; S342-M345 PolarHBondContact O-N 3.2Å; S342-Y346 WeakPolarHBondContact O-CB 3.19Å; S342-Y346 PolarHBondContact O-N 2.92Å; S342-R404 WeakPolarHBondContact OG-CB 3.37Å; S342-R404 WeakPolarHBondContact OG-CD 3.45Å; S342-R404 WeakPolarHBondContact OG-CG 3.49Å |
| 343 | V | 95.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.6 | -51.9 | 179.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F315 A323 V324 V327 V339 Y346 L347 W481 | F315-V343 HydrophobicContact CE2-CG1 3.86Å; F315-V343 HydrophobicContact CZ-CG1 4.29Å; A323-V343 HydrophobicContact CB-CG1 4.35Å; V324-V343 HydrophobicContact CG2-CG2 4.22Å; V327-V343 HydrophobicContact CG1-CG2 4.42Å; V327-V343 HydrophobicContact CG2-CG2 4.24Å; V339-V343 PolarHBondContact O-N 2.97Å; V343-Y346 PolarHBondContact O-N 2.87Å; V343-L347 HydrophobicContact CG1-CD1 4.13Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 3.21Å; V343-L347 VanDerWaalsContact O-N 3.09Å; V343-W481 HydrophobicContact CG2-CZ2 4.49Å |
| 344 | G | 94.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I288 S342 Y346 L347 V348 M474 | I288-G344 WeakPolarHBondContact CD1-O 3.13Å; S342-G344 PolarHBondContact O-N 2.89Å; G344-Y346 VanDerWaalsContact C-N 3.31Å; G344-Y346 PolarHBondContact O-N 3.39Å; G344-L347 PolarHBondContact O-N 2.67Å; G344-V348 WeakPolarHBondContact O-CG1 3.44Å; G344-V348 PolarHBondContact O-N 3.21Å; G344-M474 VanDerWaalsContact CA-SD 3.6Å |
| 345 | M | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | -179.1 | -162.3 | 171.3 | -173.9 | 0 | 0 | 112.8 | L256 S342 V348 S349 R404 A405 T408 T409 L416 F470 | L256-M345 HydrophobicContact CD1-CE 3.66Å; L256-M345 HydrophobicContact CD1-CG 4.42Å; S342-M345 PolarHBondContact O-N 3.2Å; M345-V348 WeakPolarHBondContact O-CG1 3.21Å; M345-S349 VanDerWaalsContact O-CB 3.23Å; M345-S349 WeakPolarHBondContact O-CB 3.49Å; M345-S349 PolarHBondContact O-N 2.68Å; M345-S349 VanDerWaalsContact O-N 3.11Å; M345-S349 PolarHBondContact O-OG 2.92Å; M345-R404 HydrophobicContact SD-CG 3.9Å; M345-R404 PolarHBondContact SD-NH1 2.91Å; M345-A405 VanDerWaalsContact CE-CA 3.49Å; M345-A405 HydrophobicContact CE-CB 3.62Å; M345-A405 HydrophobicContact SD-CB 4.17Å; M345-T408 HydrophobicContact CB-CG2 4.43Å; M345-T408 VanDerWaalsContact CG-OG1 3.25Å; M345-T408 WeakPolarHBondContact CG-OG1 3.41Å; M345-T408 PolarHBondContact SD-OG1 3.21Å; M345-T409 HydrophobicContact CE-CG2 3.94Å; M345-L416 HydrophobicContact CE-CD1 4.24Å; M345-F470 HydrophobicContact CB-CE1 4.42Å |
| 346 | Y | 98.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 9% | 0.086 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.3 | -49.7 | 173.1 | 179.6 | -95.4 | 0 | 0 | 0 | 110.9 | D326 V327 H330 S342 V343 G344 V348 S349 K350 A411 H412 | D326-Y346 HydrophobicContact CB-CE1 4.39Å; V327-Y346 HydrophobicContact CG2-CD1 3.96Å; V327-Y346 HydrophobicContact CG2-CD2 4.27Å; V327-Y346 HydrophobicContact CG2-CG 3.75Å; H330-Y346 AromaticContact CD2-CE2 3.64Å; S342-Y346 WeakPolarHBondContact O-CB 3.19Å; S342-Y346 PolarHBondContact O-N 2.92Å; V343-Y346 PolarHBondContact O-N 2.87Å; G344-Y346 VanDerWaalsContact C-N 3.31Å; G344-Y346 PolarHBondContact O-N 3.39Å; Y346-V348 PolarHBondContact O-N 3.41Å; Y346-S349 WeakPolarHBondContact O-CB 3.49Å; Y346-S349 PolarHBondContact O-N 3.11Å; Y346-K350 PolarHBondContact O-N 3.5Å; Y346-A411 HydrophobicContact CD2-CB 3.95Å; Y346-A411 HydrophobicContact CE2-CB 3.65Å; Y346-H412 AromaticContact CD1-NE2 3.88Å; Y346-H412 AromaticContact CD2-NE2 3.39Å; Y346-H412 WeakPolarHBondContact CD2-NE2 3.41Å; Y346-H412 AromaticContact CE1-NE2 3.69Å; Y346-H412 AromaticContact CE2-CE1 3.76Å; Y346-H412 AromaticContact CE2-NE2 3.16Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.13Å; Y346-H412 AromaticContact CG-NE2 3.74Å; Y346-H412 AromaticContact CZ-CE1 3.58Å; Y346-H412 AromaticContact CZ-NE2 3.31Å; Y346-H412 VanDerWaalsContact CZ-NE2 3.31Å; Y346-H412 PolarHBondContact O-CD2 3.31Å; Y346-H412 PolarHBondContact O-NE2 3.48Å |
| 347 | L | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | -178.7 | -68.2 | 172.2 | 0 | 0 | 0 | 112.9 | I288 F315 A323 V343 G344 S349 K350 Y351 | I288-L347 HydrophobicContact CD1-CB 3.71Å; F315-L347 HydrophobicContact CD2-CD1 3.64Å; F315-L347 HydrophobicContact CE2-CD1 3.62Å; A323-L347 HydrophobicContact CB-CD2 4.25Å; A323-L347 HydrophobicContact CB-CG 4.48Å; V343-L347 HydrophobicContact CG1-CD1 4.13Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 3.21Å; V343-L347 VanDerWaalsContact O-N 3.09Å; G344-L347 PolarHBondContact O-N 2.67Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3.21Å; L347-K350 WeakPolarHBondContact O-CB 3.11Å; L347-K350 PolarHBondContact O-N 3.29Å; L347-Y351 PolarHBondContact O-N 3.4Å |
| 348 | V | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 174.5 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | L256 F286 I288 V313 G344 M345 Y346 Y351 I352 | L256-V348 HydrophobicContact CD2-CG1 4.07Å; L256-V348 HydrophobicContact CD2-CG2 4.35Å; F286-V348 HydrophobicContact CB-CG2 3.87Å; I288-V348 HydrophobicContact CB-CB 4.01Å; I288-V348 HydrophobicContact CB-CG2 4.25Å; I288-V348 HydrophobicContact CD1-CB 4.05Å; I288-V348 HydrophobicContact CG2-CB 4.02Å; I288-V348 HydrophobicContact CG2-CG1 4.38Å; I288-V348 HydrophobicContact CG2-CG2 4.49Å; V313-V348 HydrophobicContact CG2-CG2 3.98Å; G344-V348 WeakPolarHBondContact O-CG1 3.44Å; G344-V348 PolarHBondContact O-N 3.21Å; M345-V348 WeakPolarHBondContact O-CG1 3.21Å; Y346-V348 PolarHBondContact O-N 3.41Å; V348-Y351 WeakPolarHBondContact O-CB 3.36Å; V348-Y351 PolarHBondContact O-N 3.32Å; V348-I352 HydrophobicContact CG2-CD1 4.24Å; V348-I352 WeakPolarHBondContact O-CD1 3.28Å; V348-I352 WeakPolarHBondContact O-CG1 3.47Å; V348-I352 PolarHBondContact O-N 2.79Å |
| 349 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 175 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | M345 Y346 L347 I352 R353 T408 L414 | M345-S349 VanDerWaalsContact O-CB 3.23Å; M345-S349 WeakPolarHBondContact O-CB 3.49Å; M345-S349 PolarHBondContact O-N 2.68Å; M345-S349 VanDerWaalsContact O-N 3.11Å; M345-S349 PolarHBondContact O-OG 2.92Å; Y346-S349 WeakPolarHBondContact O-CB 3.49Å; Y346-S349 PolarHBondContact O-N 3.11Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3.21Å; S349-I352 PolarHBondContact O-N 3.5Å; S349-R353 PolarHBondContact O-N 3.04Å; S349-R353 VanDerWaalsContact O-N 3.11Å; S349-T408 WeakPolarHBondContact CB-O 3.38Å; S349-L414 WeakPolarHBondContact O-CD1 3.49Å |
| 350 | K | 98.6 | Very high | 97.3 | Very high | 84 Ų | 84 | 34.2 Ų | 34.2 | 37% | 0.365 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 172.3 | -173.6 | 179.2 | 175.1 | -179 | 0 | 111.1 | Y346 L347 I352 R353 E354 H412 | Y346-K350 PolarHBondContact O-N 3.5Å; L347-K350 WeakPolarHBondContact O-CB 3.11Å; L347-K350 PolarHBondContact O-N 3.29Å; K350-I352 PolarHBondContact O-N 2.8Å; K350-R353 PolarHBondContact O-N 3.44Å; K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 HydrophobicContact CG-CG 4.46Å; K350-E354 WeakPolarHBondContact CG-OE1 3.3Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 WeakPolarHBondContact O-CG 3.29Å; K350-E354 PolarHBondContact O-N 3.43Å; K350-H412 PolarHBondContact N-CD2 3.09Å; K350-H412 VanDerWaalsContact N-CD2 3.32Å |
| 351 | Y | 98.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 34 Ų | 34 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.6 | -50 | 177.4 | 179.5 | -81.6 | 0 | 0 | 0 | 111.8 | H311 V313 L347 V348 R353 E354 K355 | H311-Y351 HydrophobicContact CB-CE1 4.15Å; H311-Y351 AromaticContact ND1-CE1 3.92Å; V313-Y351 HydrophobicContact CB-CD2 4.45Å; V313-Y351 HydrophobicContact CB-CG 4.39Å; V313-Y351 HydrophobicContact CG1-CD2 3.88Å; V313-Y351 HydrophobicContact CG1-CG 3.97Å; V313-Y351 HydrophobicContact CG2-CD1 3.49Å; V313-Y351 VanDerWaalsContact CG2-CD1 3.49Å; V313-Y351 HydrophobicContact CG2-CD2 3.88Å; V313-Y351 HydrophobicContact CG2-CE1 3.9Å; V313-Y351 HydrophobicContact CG2-CE2 4.22Å; V313-Y351 HydrophobicContact CG2-CG 3.49Å; V313-Y351 VanDerWaalsContact CG2-CG 3.49Å; L347-Y351 PolarHBondContact O-N 3.4Å; V348-Y351 WeakPolarHBondContact O-CB 3.36Å; V348-Y351 PolarHBondContact O-N 3.32Å; Y351-R353 VanDerWaalsContact C-N 3.28Å; Y351-R353 PolarHBondContact O-N 2.91Å; Y351-E354 PolarHBondContact O-N 2.81Å; Y351-E354 VanDerWaalsContact O-N 3.15Å; Y351-K355 HydrophobicContact CD1-CB 4.19Å; Y351-K355 HydrophobicContact CD1-CG 4.3Å; Y351-K355 HydrophobicContact CD2-CG 3.84Å; Y351-K355 HydrophobicContact CE1-CB 3.87Å; Y351-K355 HydrophobicContact CE1-CG 4.19Å; Y351-K355 HydrophobicContact CE2-CB 4.29Å; Y351-K355 HydrophobicContact CE2-CG 3.74Å; Y351-K355 HydrophobicContact CG-CG 4.12Å; Y351-K355 VanDerWaalsContact O-CB 3.3Å; Y351-K355 WeakPolarHBondContact O-CB 3.22Å; Y351-K355 WeakPolarHBondContact O-CG 3.38Å; Y351-K355 PolarHBondContact O-N 2.91Å |
| 352 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.7 | -47.8 | -179.5 | -71 | 163 | 0 | 0 | 0 | 110.1 | L256 F286 V348 S349 K350 T356 S358 I361 L414 | L256-I352 HydrophobicContact CD2-CD1 3.92Å; F286-I352 HydrophobicContact CB-CD1 4.15Å; F286-I352 HydrophobicContact CB-CG1 4.35Å; F286-I352 HydrophobicContact CD1-CD1 4.2Å; F286-I352 HydrophobicContact CD1-CG1 3.53Å; F286-I352 HydrophobicContact CD2-CD1 3.7Å; F286-I352 HydrophobicContact CD2-CG1 3.81Å; F286-I352 HydrophobicContact CE1-CG1 3.68Å; F286-I352 HydrophobicContact CE2-CD1 4.14Å; F286-I352 HydrophobicContact CE2-CG1 3.93Å; F286-I352 HydrophobicContact CE2-CG2 4.46Å; F286-I352 HydrophobicContact CG-CD1 3.74Å; F286-I352 HydrophobicContact CG-CG1 3.62Å; F286-I352 HydrophobicContact CZ-CG1 3.86Å; F286-I352 HydrophobicContact CZ-CG2 4.3Å; V348-I352 HydrophobicContact CG2-CD1 4.24Å; V348-I352 WeakPolarHBondContact O-CD1 3.28Å; V348-I352 WeakPolarHBondContact O-CG1 3.47Å; V348-I352 PolarHBondContact O-N 2.79Å; S349-I352 PolarHBondContact O-N 3.5Å; K350-I352 PolarHBondContact O-N 2.8Å; I352-T356 PolarHBondContact O-N 3.43Å; I352-T356 PolarHBondContact O-OG1 3.46Å; I352-S358 WeakPolarHBondContact CG2-O 3.18Å; I352-I361 HydrophobicContact CD1-CD1 4.21Å; I352-I361 HydrophobicContact CD1-CG1 4.46Å; I352-I361 HydrophobicContact CG2-CD1 3.85Å; I352-I361 HydrophobicContact CG2-CG1 4.49Å; I352-L414 HydrophobicContact CB-CD1 3.8Å; I352-L414 HydrophobicContact CD1-CD1 4.33Å; I352-L414 HydrophobicContact CG2-CD1 3.65Å; I352-L414 HydrophobicContact CG2-CD2 3.93Å; I352-L414 HydrophobicContact CG2-CG 4.47Å |
| 353 | R | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 34 Ų | 34 | 43% | 0.434 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.3 | 173.3 | 58.3 | -176.4 | -80.6 | 0.4 | 113.2 | S349 K350 Y351 H412 L414 | S349-R353 PolarHBondContact O-N 3.04Å; S349-R353 VanDerWaalsContact O-N 3.11Å; K350-R353 PolarHBondContact O-N 3.44Å; Y351-R353 VanDerWaalsContact C-N 3.28Å; Y351-R353 PolarHBondContact O-N 2.91Å; R353-H412 HydrophobicContact CB-CB 3.99Å; R353-H412 WeakPolarHBondContact CD-O 3.46Å; R353-H412 HydrophobicContact CG-CB 4.43Å; R353-H412 VanDerWaalsContact CG-O 3.27Å; R353-H412 WeakPolarHBondContact CG-O 3.26Å; R353-H412 PolarHBondContact NH1-O 3.33Å; R353-L414 HydrophobicContact CB-CD2 4.41Å |
| 354 | E | 98.2 | Very high | 98.3 | Very high | 118 Ų | 118 | 34.4 Ų | 34.4 | 55% | 0.551 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -82 | -28.1 | -174.8 | -72.3 | 179.5 | 179.4 | 0 | 0 | 113.4 | K350 Y351 | K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 HydrophobicContact CG-CG 4.46Å; K350-E354 WeakPolarHBondContact CG-OE1 3.3Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 WeakPolarHBondContact O-CG 3.29Å; K350-E354 PolarHBondContact O-N 3.43Å; Y351-E354 PolarHBondContact O-N 2.81Å; Y351-E354 VanDerWaalsContact O-N 3.15Å |
| 355 | K | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 35.5 Ų | 35.5 | 59% | 0.587 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -115.4 | -12.8 | -167.8 | -54.9 | -58.3 | -179.6 | -175.2 | 0 | 114.2 | Y351 | Y351-K355 HydrophobicContact CD1-CB 4.19Å; Y351-K355 HydrophobicContact CD1-CG 4.3Å; Y351-K355 HydrophobicContact CD2-CG 3.84Å; Y351-K355 HydrophobicContact CE1-CB 3.87Å; Y351-K355 HydrophobicContact CE1-CG 4.19Å; Y351-K355 HydrophobicContact CE2-CB 4.29Å; Y351-K355 HydrophobicContact CE2-CG 3.74Å; Y351-K355 HydrophobicContact CG-CG 4.12Å; Y351-K355 VanDerWaalsContact O-CB 3.3Å; Y351-K355 WeakPolarHBondContact O-CB 3.22Å; Y351-K355 WeakPolarHBondContact O-CG 3.38Å; Y351-K355 PolarHBondContact O-N 2.91Å |
| 356 | T | 98.5 | Very high | 98.4 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 15% | 0.153 | 16% | 0.164 | C | C | . | . | trans | -135.6 | 173.8 | -178.1 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | F286 I352 S358 | F286-T356 HydrophobicContact CE1-CG2 3.7Å; F286-T356 HydrophobicContact CZ-CG2 3.94Å; I352-T356 PolarHBondContact O-N 3.43Å; I352-T356 PolarHBondContact O-OG1 3.46Å; T356-S358 PolarHBondContact OG1-N 2.79Å | ||
| 357 | D | 97.3 | Very high | 98.4 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 50% | 0.497 | 16% | 0.16 | S | C | . | . | trans | -103.4 | 4.7 | 171.5 | 64.5 | -32.5 | 0 | 0 | 0 | 112.8 | R252 V359 | R252-D357 WeakPolarHBondContact CB-O 3.39Å; R252-D357 VanDerWaalsContact CD-CG 3.41Å; R252-D357 WeakPolarHBondContact CD-OD1 3.44Å; R252-D357 WeakPolarHBondContact CD-OD2 3.25Å; R252-D357 IonicContact CZ-OD1 3.82Å; R252-D357 IonicContact NE-OD1 2.82Å; R252-D357 IonicContact NH1-OD1 3.16Å; R252-D357 PolarHBondContact NH1-OD1 3.43Å; R252-D357 IonicContact NH1-OD2 2.81Å; D357-V359 WeakPolarHBondContact O-CG2 3.37Å; D357-V359 PolarHBondContact O-N 2.65Å | ||
| 358 | S | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 125.4 | 172 | -76.9 | 0 | 0 | 0 | 0 | 110.5 | Q284 I352 T356 L414 | Q284-S358 PolarHBondContact OE1-OG 2.86Å; I352-S358 WeakPolarHBondContact CG2-O 3.18Å; T356-S358 PolarHBondContact OG1-N 2.79Å; S358-L414 WeakPolarHBondContact O-CD2 3.3Å |
| 359 | V | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -38 | -173.2 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | L50 I52 R251 R252 D357 E415 | L50-V359 HydrophobicContact CD1-CG1 3.82Å; L50-V359 HydrophobicContact CD2-CG1 3.8Å; L50-V359 HydrophobicContact CG-CG1 4.08Å; I52-V359 HydrophobicContact CD1-CG1 3.53Å; R251-V359 HydrophobicContact CB-CB 4.08Å; R251-V359 HydrophobicContact CB-CG1 4.44Å; R252-V359 PolarHBondContact O-N 3.12Å; D357-V359 WeakPolarHBondContact O-CG2 3.37Å; D357-V359 PolarHBondContact O-N 2.65Å; V359-E415 PolarHBondContact O-N 3.34Å |
| 360 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.5 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | I52 A249 R252 I253 G254 F362 R417 | I52-V360 HydrophobicContact CD1-CG2 3.81Å; I52-V360 HydrophobicContact CG1-CG2 4.41Å; I52-V360 HydrophobicContact CG2-CG2 3.68Å; A249-V360 HydrophobicContact CB-CG2 3.96Å; R252-V360 PolarHBondContact O-N 3.28Å; R252-V360 VanDerWaalsContact O-N 3.14Å; I253-V360 CarbonylContact C-O 3.53Å; I253-V360 WeakPolarHBondContact CA-O 3.24Å; I253-V360 HydrophobicContact CG1-CB 4.05Å; I253-V360 HydrophobicContact CG1-CG1 4.21Å; G254-V360 PolarHBondContact N-O 3.32Å; V360-F362 HydrophobicContact CG1-CD2 4.4Å; V360-F362 HydrophobicContact CG1-CE2 4.16Å; V360-R417 VanDerWaalsContact CG1-CD 3.43Å; V360-R417 HydrophobicContact CG1-CG 3.9Å |
| 361 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.8 | -172.6 | -52.9 | -56.3 | 0 | 0 | 0 | 109.8 | G254 L256 F286 I352 L414 E415 L416 R417 | G254-I361 WeakPolarHBondContact O-CA 3.38Å; L256-I361 HydrophobicContact CD1-CG2 4.35Å; L256-I361 HydrophobicContact CD2-CG2 3.85Å; L256-I361 HydrophobicContact CG-CG2 3.63Å; F286-I361 HydrophobicContact CE2-CD1 4.41Å; I352-I361 HydrophobicContact CD1-CD1 4.21Å; I352-I361 HydrophobicContact CD1-CG1 4.46Å; I352-I361 HydrophobicContact CG2-CD1 3.85Å; I352-I361 HydrophobicContact CG2-CG1 4.49Å; I361-L414 HydrophobicContact CG1-CB 4.2Å; I361-L414 HydrophobicContact CG1-CD1 4.13Å; I361-E415 PolarHBondContact N-O 3.49Å; I361-L416 WeakPolarHBondContact O-CA 3.4Å; I361-R417 PolarHBondContact O-N 3.48Å |
| 362 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 146.7 | 172.3 | -81.6 | -114.3 | 0 | 0 | 0 | 111.1 | V243 R246 L247 I253 G254 C255 L256 V266 L270 V360 R417 P419 | V243-F362 HydrophobicContact CG1-CE1 4Å; R246-F362 HydrophobicContact CB-CE1 3.68Å; R246-F362 HydrophobicContact CB-CZ 3.53Å; R246-F362 WeakPolarHBondContact O-CZ 3.46Å; L247-F362 HydrophobicContact CD2-CZ 4.47Å; I253-F362 HydrophobicContact CG2-CD2 3.54Å; I253-F362 HydrophobicContact CG2-CE2 3.45Å; I253-F362 VanDerWaalsContact CG2-CE2 3.45Å; G254-F362 PolarHBondContact O-N 3.29Å; C255-F362 WeakPolarHBondContact CA-O 3.36Å; C255-F362 HydrophobicContact CB-CB 4.18Å; L256-F362 PolarHBondContact N-O 3.05Å; V266-F362 HydrophobicContact CG1-CB 3.85Å; V266-F362 HydrophobicContact CG1-CD1 4.02Å; V266-F362 HydrophobicContact CG1-CG 4.43Å; L270-F362 HydrophobicContact CD1-CD1 4.47Å; L270-F362 HydrophobicContact CD1-CD2 4.33Å; L270-F362 HydrophobicContact CD1-CE1 4.17Å; L270-F362 HydrophobicContact CD1-CE2 4.04Å; L270-F362 HydrophobicContact CD1-CZ 3.91Å; L270-F362 HydrophobicContact CD2-CB 4Å; L270-F362 HydrophobicContact CD2-CD1 4.37Å; L270-F362 HydrophobicContact CD2-CD2 3.94Å; L270-F362 HydrophobicContact CD2-CE2 4.46Å; L270-F362 HydrophobicContact CD2-CG 3.86Å; V360-F362 HydrophobicContact CG1-CD2 4.4Å; V360-F362 HydrophobicContact CG1-CE2 4.16Å; F362-R417 WeakPolarHBondContact CA-O 3.46Å; F362-R417 HydrophobicContact CD1-CB 4.4Å; F362-R417 HydrophobicContact CD2-CB 4.22Å; F362-R417 HydrophobicContact CE1-CB 4.48Å; F362-R417 HydrophobicContact CE2-CB 4.29Å; F362-R417 HydrophobicContact CG-CB 4.3Å; F362-R417 HydrophobicContact CZ-CB 4.46Å; F362-P419 HydrophobicContact CD1-CG 4.41Å |
| 363 | S | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | trans | -150.2 | 166.9 | 176.8 | -163.1 | 0 | 0 | 0 | 0 | 112.6 | E365 R417 P419 | S363-E365 WeakPolarHBondContact CB-OE2 3.28Å; S363-E365 PolarHBondContact OG-OE2 2.84Å; S363-R417 PolarHBondContact N-O 2.97Å; S363-P419 WeakPolarHBondContact O-CD 3.38Å | ||
| 364 | G | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | trans | -93.4 | 1.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S367 | G364-S367 WeakPolarHBondContact O-CB 3.3Å; G364-S367 PolarHBondContact O-N 2.86Å | ||
| 365 | E | 97.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 16.5 Ų | 16.5 | 11% | 0.112 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 146.8 | -178.6 | -77.6 | 76.2 | -170.5 | 0 | 0 | 112.9 | S363 S367 D401 R404 A405 V418 | S363-E365 WeakPolarHBondContact CB-OE2 3.28Å; S363-E365 PolarHBondContact OG-OE2 2.84Å; E365-S367 VanDerWaalsContact C-N 3.34Å; E365-D401 HydrophobicContact CG-CB 4.38Å; E365-R404 IonicContact OE1-CZ 2.63Å; E365-R404 IonicContact OE1-NH1 3.33Å; E365-R404 PolarHBondContact OE1-NH1 2.92Å; E365-R404 IonicContact OE1-NH2 2.98Å; E365-R404 PolarHBondContact OE1-NH2 2.81Å; E365-A405 HydrophobicContact CG-CB 4.11Å; E365-V418 HydrophobicContact CB-CG1 3.97Å |
| 366 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -17.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E369 L370 | G366-E369 VanDerWaalsContact C-OE2 3.32Å; G366-E369 WeakPolarHBondContact CA-OE2 3.47Å; G366-E369 PolarHBondContact N-OE2 3.12Å; G366-L370 WeakPolarHBondContact O-CB 3.43Å; G366-L370 PolarHBondContact O-N 3.4Å; G366-L370 VanDerWaalsContact O-N 3.09Å |
| 367 | S | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.1 | -48.8 | 179.4 | -178.6 | 0 | 0 | 0 | 0 | 112 | D262 G364 E365 E369 L370 T371 F420 K445 | D262-S367 VanDerWaalsContact CG-CB 3.44Å; D262-S367 VanDerWaalsContact CG-OG 3.3Å; D262-S367 WeakPolarHBondContact OD1-CB 3.44Å; D262-S367 PolarHBondContact OD1-OG 3.47Å; G364-S367 WeakPolarHBondContact O-CB 3.3Å; G364-S367 PolarHBondContact O-N 2.86Å; E365-S367 VanDerWaalsContact C-N 3.34Å; S367-E369 VanDerWaalsContact C-N 3.34Å; S367-E369 PolarHBondContact O-N 2.99Å; S367-L370 PolarHBondContact O-N 3.13Å; S367-T371 WeakPolarHBondContact O-CB 3.39Å; S367-T371 WeakPolarHBondContact O-CG2 3.32Å; S367-T371 PolarHBondContact O-N 3.06Å; S367-T371 PolarHBondContact O-OG1 3.22Å; S367-F420 WeakPolarHBondContact OG-CE1 3.4Å; S367-K445 PolarHBondContact OG-NZ 2.58Å |
| 368 | D | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 8 Ų | 8 | 9% | 0.091 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | -178.1 | -77.6 | -60.1 | 0 | 0 | 0 | 111.8 | Q372 G373 Y374 K445 K467 | D368-Q372 PolarHBondContact O-N 3.33Å; D368-Q372 VanDerWaalsContact O-N 3.09Å; D368-G373 PolarHBondContact O-N 3.17Å; D368-G373 VanDerWaalsContact OD1-C 3.29Å; D368-G373 WeakPolarHBondContact OD1-CA 3.3Å; D368-Y374 HydrophobicContact CB-CD1 4.24Å; D368-Y374 HydrophobicContact CB-CD2 4.19Å; D368-Y374 HydrophobicContact CB-CE1 3.89Å; D368-Y374 HydrophobicContact CB-CE2 3.81Å; D368-Y374 HydrophobicContact CB-CG 4.37Å; D368-K445 WeakPolarHBondContact OD1-CE 3.34Å; D368-K445 IonicContact OD1-NZ 2.78Å; D368-K445 PolarHBondContact OD1-NZ 2.8Å; D368-K445 IonicContact OD2-NZ 2.98Å; D368-K445 PolarHBondContact OD2-NZ 3.35Å; D368-K467 WeakPolarHBondContact OD1-CE 3.41Å; D368-K467 WeakPolarHBondContact OD2-CE 3.27Å; D368-K467 IonicContact OD2-NZ 3.37Å |
| 369 | E | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 2% | 0.023 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 179.5 | -63.3 | 74.7 | -161.5 | 0 | 0 | 111.7 | G366 S367 Y374 S390 L393 L394 L397 | G366-E369 VanDerWaalsContact C-OE2 3.32Å; G366-E369 WeakPolarHBondContact CA-OE2 3.47Å; G366-E369 PolarHBondContact N-OE2 3.12Å; S367-E369 VanDerWaalsContact C-N 3.34Å; S367-E369 PolarHBondContact O-N 2.99Å; E369-Y374 HydrophobicContact CG-CE2 4.24Å; E369-Y374 PolarHBondContact OE1-OH 3.44Å; E369-S390 WeakPolarHBondContact O-CA 3.38Å; E369-S390 VanDerWaalsContact O-CB 3.27Å; E369-S390 WeakPolarHBondContact O-CB 3.11Å; E369-S390 PolarHBondContact O-OG 3.21Å; E369-L393 HydrophobicContact CB-CB 3.89Å; E369-L393 HydrophobicContact CB-CD1 4.49Å; E369-L393 HydrophobicContact CG-CB 3.7Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; E369-L394 HydrophobicContact CB-CD2 3.88Å; E369-L394 HydrophobicContact CB-CG 4.18Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.17Å |
| 370 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -72.7 | -40.5 | -179.6 | -178.2 | 66.3 | 0 | 0 | 0 | 112.6 | G366 S367 L394 F425 T426 Y429 L430 | G366-L370 WeakPolarHBondContact O-CB 3.43Å; G366-L370 PolarHBondContact O-N 3.4Å; G366-L370 VanDerWaalsContact O-N 3.09Å; S367-L370 PolarHBondContact O-N 3.13Å; L370-L394 HydrophobicContact CB-CD2 4.44Å; L370-L394 HydrophobicContact CD1-CD1 4.07Å; L370-F425 HydrophobicContact CD2-CD1 3.65Å; L370-F425 HydrophobicContact CD2-CE1 3.43Å; L370-F425 VanDerWaalsContact CD2-CE1 3.43Å; L370-T426 HydrophobicContact CD1-CG2 4.11Å; L370-T426 HydrophobicContact CD2-CG2 4.02Å; L370-Y429 HydrophobicContact CD1-CD1 4.29Å; L370-Y429 HydrophobicContact CD1-CG 4.5Å; L370-Y429 HydrophobicContact CD2-CG 4.25Å; L370-Y429 HydrophobicContact CG-CD1 3.99Å; L370-Y429 HydrophobicContact CG-CG 4.14Å; L370-L430 HydrophobicContact CD1-CD1 4.28Å; L370-L430 HydrophobicContact CD1-CD2 3.91Å; L370-L430 HydrophobicContact CD1-CG 3.74Å |
| 371 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -106.4 | 12.7 | -167.2 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | S367 G373 Y429 K445 L448 | S367-T371 WeakPolarHBondContact O-CB 3.39Å; S367-T371 WeakPolarHBondContact O-CG2 3.32Å; S367-T371 PolarHBondContact O-N 3.06Å; S367-T371 PolarHBondContact O-OG1 3.22Å; T371-G373 VanDerWaalsContact C-N 3.34Å; T371-G373 PolarHBondContact O-N 2.93Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.85Å; T371-Y429 HydrophobicContact CG2-CE2 3.84Å; T371-K445 WeakPolarHBondContact OG1-CD 3.5Å; T371-K445 VanDerWaalsContact OG1-CG 3.28Å; T371-K445 WeakPolarHBondContact OG1-CG 3.25Å; T371-L448 HydrophobicContact CG2-CD2 4.27Å |
| 372 | Q | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 46 | 179.3 | -58.2 | 179.4 | 15.4 | 0 | 0 | 111.9 | D368 F377 G386 | D368-Q372 PolarHBondContact O-N 3.33Å; D368-Q372 VanDerWaalsContact O-N 3.09Å; Q372-F377 VanDerWaalsContact C-CD2 3.4Å; Q372-F377 HydrophobicContact CB-CB 4.07Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 3.93Å; Q372-F377 HydrophobicContact CB-CE1 3.95Å; Q372-F377 HydrophobicContact CB-CE2 4.24Å; Q372-F377 HydrophobicContact CB-CG 3.6Å; Q372-F377 HydrophobicContact CB-CZ 4.25Å; Q372-F377 HydrophobicContact CG-CD1 3.77Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.28Å; Q372-F377 HydrophobicContact CG-CZ 4.16Å; Q372-G386 VanDerWaalsContact NE2-C 3.33Å; Q372-G386 PolarHBondContact NE2-O 3.26Å |
| 373 | G | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -85.8 | -19.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D368 T371 E444 | D368-G373 PolarHBondContact O-N 3.17Å; D368-G373 VanDerWaalsContact OD1-C 3.29Å; D368-G373 WeakPolarHBondContact OD1-CA 3.3Å; T371-G373 VanDerWaalsContact C-N 3.34Å; T371-G373 PolarHBondContact O-N 2.93Å; G373-E444 WeakPolarHBondContact O-CG 3.48Å | ||
| 374 | Y | 94.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -68 | 138.3 | 174.4 | -64.4 | -59.6 | 0 | 0 | 0 | 110.8 | D368 E369 Y376 F377 L393 W537 | D368-Y374 HydrophobicContact CB-CD1 4.24Å; D368-Y374 HydrophobicContact CB-CD2 4.19Å; D368-Y374 HydrophobicContact CB-CE1 3.89Å; D368-Y374 HydrophobicContact CB-CE2 3.81Å; D368-Y374 HydrophobicContact CB-CG 4.37Å; E369-Y374 HydrophobicContact CG-CE2 4.24Å; E369-Y374 PolarHBondContact OE1-OH 3.44Å; Y374-Y376 VanDerWaalsContact CB-CD1 3.47Å; Y374-Y376 AromaticContact CD2-CE1 3.83Å; Y374-Y376 HydrophobicContact CD2-CE1 3.83Å; Y374-Y376 HydrophobicContact CG-CD1 4.32Å; Y374-Y376 AromaticContact CG-CE1 3.81Å; Y374-Y376 HydrophobicContact CG-CE1 3.81Å; Y374-Y376 PolarHBondContact O-N 3.09Å; Y374-F377 HydrophobicContact CD2-CE2 4.09Å; Y374-F377 WeakPolarHBondContact O-CB 3.15Å; Y374-F377 WeakPolarHBondContact O-CD2 3.35Å; Y374-F377 PolarHBondContact O-N 3.37Å; Y374-L393 HydrophobicContact CD2-CD1 3.87Å; Y374-L393 HydrophobicContact CE2-CD1 3.91Å; Y374-W537 HydrophobicContact CD1-CH2 4.48Å; Y374-W537 HydrophobicContact CD1-CZ2 4.37Å; Y374-W537 HydrophobicContact CD2-CZ2 4.17Å; Y374-W537 HydrophobicContact CE1-CZ2 4.17Å; Y374-W537 AromaticContact CE2-CZ2 3.98Å; Y374-W537 HydrophobicContact CE2-CZ2 3.98Å; Y374-W537 HydrophobicContact CG-CZ2 4.38Å; Y374-W537 AromaticContact CZ-CZ2 3.98Å |
| 375 | L | 92.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -59.2 | -24.4 | -175.6 | -64.9 | -172.2 | 0 | 0 | 0 | 113.7 | F377 H378 R466 K467 I554 Y555 | L375-F377 PolarHBondContact O-N 2.78Å; L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-CD2 2.84Å; L375-H378 PolarHBondContact O-N 3.48Å; L375-H378 VanDerWaalsContact O-N 3.15Å; L375-R466 HydrophobicContact CD2-CG 4.5Å; L375-K467 HydrophobicContact CD2-CB 4.22Å; L375-I554 HydrophobicContact CB-CD1 4.12Å; L375-I554 HydrophobicContact CB-CG1 4.13Å; L375-I554 HydrophobicContact CB-CG2 4.13Å; L375-I554 WeakPolarHBondContact O-CD1 3.43Å; L375-Y555 HydrophobicContact CB-CE1 4.24Å; L375-Y555 HydrophobicContact CB-CE2 4.12Å; L375-Y555 HydrophobicContact CD1-CD1 3.28Å; L375-Y555 HydrophobicContact CD1-CD2 4.1Å; L375-Y555 HydrophobicContact CD1-CE1 3.28Å; L375-Y555 HydrophobicContact CD1-CE2 4.11Å; L375-Y555 HydrophobicContact CD1-CG 3.71Å; L375-Y555 HydrophobicContact CG-CD1 4.15Å; L375-Y555 HydrophobicContact CG-CE1 3.6Å; L375-Y555 HydrophobicContact CG-CE2 4.37Å |
| 376 | Y | 93.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -65 | -18.2 | 176.9 | 76.9 | -99.6 | 0 | 0 | 0 | 113 | Y374 H378 K379 D389 L393 W537 P539 C540 W541 I542 | Y374-Y376 VanDerWaalsContact CB-CD1 3.47Å; Y374-Y376 AromaticContact CD2-CE1 3.83Å; Y374-Y376 HydrophobicContact CD2-CE1 3.83Å; Y374-Y376 HydrophobicContact CG-CD1 4.32Å; Y374-Y376 AromaticContact CG-CE1 3.81Å; Y374-Y376 HydrophobicContact CG-CE1 3.81Å; Y374-Y376 PolarHBondContact O-N 3.09Å; Y376-H378 PolarHBondContact O-N 2.65Å; Y376-K379 WeakPolarHBondContact O-CA 3.29Å; Y376-K379 WeakPolarHBondContact O-CB 3.48Å; Y376-K379 PolarHBondContact O-N 2.7Å; Y376-D389 WeakPolarHBondContact CE2-OD2 3.38Å; Y376-D389 VanDerWaalsContact CZ-OD2 3.28Å; Y376-D389 PolarHBondContact OH-OD2 3.03Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.42Å; Y376-W537 HydrophobicContact CE1-CH2 4.44Å; Y376-W537 HydrophobicContact CE1-CZ2 4.39Å; Y376-P539 HydrophobicContact CD1-CB 3.5Å; Y376-P539 VanDerWaalsContact CD1-CB 3.5Å; Y376-P539 HydrophobicContact CD2-CB 4.45Å; Y376-P539 HydrophobicContact CE1-CB 4.1Å; Y376-P539 HydrophobicContact CG-CB 3.71Å; Y376-C540 HydrophobicContact CD2-CB 4.14Å; Y376-C540 WeakPolarHBondContact CD2-O 3.42Å; Y376-C540 HydrophobicContact CE2-CB 3.85Å; Y376-W541 AromaticContact CD2-CE3 3.67Å; Y376-W541 HydrophobicContact CD2-CE3 3.67Å; Y376-W541 AromaticContact CD2-CZ3 3.64Å; Y376-W541 HydrophobicContact CD2-CZ3 3.64Å; Y376-W541 HydrophobicContact CE2-CE3 4.12Å; Y376-W541 HydrophobicContact CE2-CH2 4.43Å; Y376-W541 AromaticContact CE2-CZ3 3.7Å; Y376-W541 HydrophobicContact CE2-CZ3 3.7Å; Y376-I542 VanDerWaalsContact CB-CD1 3.43Å |
| 377 | F | 95.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -62.5 | -23.7 | 172.7 | -79.9 | -76.5 | 0 | 0 | 0 | 113.7 | Q372 Y374 L375 K379 A380 G386 D389 L393 P439 W541 | Q372-F377 VanDerWaalsContact C-CD2 3.4Å; Q372-F377 HydrophobicContact CB-CB 4.07Å; Q372-F377 HydrophobicContact CB-CD1 3.61Å; Q372-F377 HydrophobicContact CB-CD2 3.93Å; Q372-F377 HydrophobicContact CB-CE1 3.95Å; Q372-F377 HydrophobicContact CB-CE2 4.24Å; Q372-F377 HydrophobicContact CB-CG 3.6Å; Q372-F377 HydrophobicContact CB-CZ 4.25Å; Q372-F377 HydrophobicContact CG-CD1 3.77Å; Q372-F377 HydrophobicContact CG-CE1 3.71Å; Q372-F377 HydrophobicContact CG-CG 4.28Å; Q372-F377 HydrophobicContact CG-CZ 4.16Å; Y374-F377 HydrophobicContact CD2-CE2 4.09Å; Y374-F377 WeakPolarHBondContact O-CB 3.15Å; Y374-F377 WeakPolarHBondContact O-CD2 3.35Å; Y374-F377 PolarHBondContact O-N 3.37Å; L375-F377 PolarHBondContact O-N 2.78Å; F377-K379 PolarHBondContact O-N 3.4Å; F377-K379 VanDerWaalsContact O-N 3.13Å; F377-A380 VanDerWaalsContact O-CB 3.27Å; F377-A380 WeakPolarHBondContact O-CB 3.42Å; F377-A380 PolarHBondContact O-N 2.92Å; F377-G386 WeakPolarHBondContact CE1-O 3.4Å; F377-D389 HydrophobicContact CE1-CB 4.06Å; F377-D389 HydrophobicContact CZ-CB 4.36Å; F377-L393 HydrophobicContact CE2-CD1 4Å; F377-L393 HydrophobicContact CZ-CD1 3.92Å; F377-P439 HydrophobicContact CB-CG 4.03Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.98Å; F377-W541 HydrophobicContact CD1-CZ3 3.98Å; F377-W541 HydrophobicContact CE1-CH2 4.23Å; F377-W541 HydrophobicContact CE1-CZ3 4.38Å |
| 378 | H | 94 | Very high | 96.7 | Very high | 70 Ų | 70 | 28.7 Ų | 28.7 | 32% | 0.324 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -62.8 | -17 | 170 | -66.2 | -71.5 | 0 | 0 | 0 | 113.2 | L375 Y376 P439 E444 I554 | L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-CD2 2.84Å; L375-H378 PolarHBondContact O-N 3.48Å; L375-H378 VanDerWaalsContact O-N 3.15Å; Y376-H378 PolarHBondContact O-N 2.65Å; H378-P439 VanDerWaalsContact CE1-CB 3.48Å; H378-P439 WeakPolarHBondContact CE1-CB 3.19Å; H378-P439 WeakPolarHBondContact ND1-CB 3.42Å; H378-E444 IonicContact NE2-OE2 3.59Å; H378-I554 HydrophobicContact CB-CD1 4.37Å |
| 379 | K | 94.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 28.3 Ų | 28.3 | 39% | 0.387 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -102.3 | 7.9 | 177.1 | -60.8 | -175.8 | 175.5 | -176.3 | 0 | 113 | Y376 F377 W541 I542 I554 | Y376-K379 WeakPolarHBondContact O-CA 3.29Å; Y376-K379 WeakPolarHBondContact O-CB 3.48Å; Y376-K379 PolarHBondContact O-N 2.7Å; F377-K379 PolarHBondContact O-N 3.4Å; F377-K379 VanDerWaalsContact O-N 3.13Å; K379-W541 HydrophobicContact CB-CB 4.26Å; K379-I542 HydrophobicContact CD-CD1 4.1Å; K379-I542 HydrophobicContact CD-CG1 3.79Å; K379-I554 HydrophobicContact CD-CD1 4.46Å; K379-I554 HydrophobicContact CG-CD1 4.34Å |
| 380 | A | 96.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 28 Ų | 28 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | trans | -58.7 | 130 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F377 S382 W541 | F377-A380 VanDerWaalsContact O-CB 3.27Å; F377-A380 WeakPolarHBondContact O-CB 3.42Å; F377-A380 PolarHBondContact O-N 2.92Å; A380-S382 PolarHBondContact O-N 3.45Å; A380-W541 HydrophobicContact CB-CE3 4.01Å; A380-W541 HydrophobicContact CB-CH2 3.55Å; A380-W541 HydrophobicContact CB-CZ2 4.07Å; A380-W541 HydrophobicContact CB-CZ3 3.52Å | ||
| 381 | P | 96.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 29.7 Ų | 29.7 | 63% | 0.63 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -70.9 | -17.9 | -176.8 | 27.1 | -34.4 | 0 | 0 | 0 | 113.1 | A385 W541 | P381-A385 HydrophobicContact CG-CB 3.62Å; P381-W541 VanDerWaalsContact CD-CE2 3.4Å; P381-W541 VanDerWaalsContact CD-NE1 3.33Å |
| 382 | S | 98 | Very high | 96.7 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 42% | 0.42 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -160.6 | 163.5 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | A380 K384 A385 G386 | A380-S382 PolarHBondContact O-N 3.45Å; S382-K384 PolarHBondContact O-N 3.37Å; S382-A385 PolarHBondContact O-N 3.44Å; S382-A385 VanDerWaalsContact O-N 3.17Å; S382-A385 PolarHBondContact OG-N 2.64Å; S382-A385 VanDerWaalsContact OG-N 3.14Å; S382-G386 PolarHBondContact O-N 3.26Å; S382-G386 VanDerWaalsContact O-N 3.07Å |
| 383 | A | 98 | Very high | 96.7 | Very high | 20 Ų | 20 | 33 Ų | 33 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -40 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G386 A387 E434 E435 T438 | A383-G386 PolarHBondContact O-N 3.37Å; A383-A387 WeakPolarHBondContact O-CB 3.35Å; A383-A387 PolarHBondContact O-N 2.93Å; A383-E434 HydrophobicContact CB-CB 3.87Å; A383-E435 HydrophobicContact CB-CG 4.13Å; A383-T438 HydrophobicContact CB-CG2 3.57Å |
| 384 | K | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 33 Ų | 33 | 41% | 0.409 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59 | -47.1 | 174.7 | -175.1 | 68.9 | -176.1 | 88.1 | 0 | 113.1 | S382 G386 A387 D388 E434 | S382-K384 PolarHBondContact O-N 3.37Å; K384-G386 VanDerWaalsContact C-N 3.32Å; K384-G386 PolarHBondContact O-N 3.5Å; K384-A387 PolarHBondContact O-N 3.47Å; K384-D388 IonicContact NZ-OD1 3.61Å; K384-D388 PolarHBondContact NZ-OD1 2.77Å; K384-D388 IonicContact NZ-OD2 3.93Å; K384-D388 PolarHBondContact NZ-OD2 2.88Å; K384-D388 PolarHBondContact O-N 2.63Å; K384-E434 WeakPolarHBondContact CA-OE2 3.27Å; K384-E434 WeakPolarHBondContact CB-OE2 3.28Å; K384-E434 WeakPolarHBondContact CD-OE1 3.47Å; K384-E434 WeakPolarHBondContact CD-OE2 3.41Å; K384-E434 PolarHBondContact N-OE2 3.13Å; K384-E434 IonicContact NZ-OE1 3.49Å |
| 385 | A | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P381 S382 D389 W541 | P381-A385 HydrophobicContact CG-CB 3.62Å; S382-A385 PolarHBondContact O-N 3.44Å; S382-A385 VanDerWaalsContact O-N 3.17Å; S382-A385 PolarHBondContact OG-N 2.64Å; S382-A385 VanDerWaalsContact OG-N 3.14Å; A385-D389 WeakPolarHBondContact O-CB 3.29Å; A385-D389 PolarHBondContact O-N 3.42Å; A385-W541 HydrophobicContact CB-CZ2 3.95Å |
| 386 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q372 F377 S382 A383 K384 D389 S390 | Q372-G386 VanDerWaalsContact NE2-C 3.33Å; Q372-G386 PolarHBondContact NE2-O 3.26Å; F377-G386 WeakPolarHBondContact CE1-O 3.4Å; S382-G386 PolarHBondContact O-N 3.26Å; S382-G386 VanDerWaalsContact O-N 3.07Å; A383-G386 PolarHBondContact O-N 3.37Å; K384-G386 VanDerWaalsContact C-N 3.32Å; K384-G386 PolarHBondContact O-N 3.5Å; G386-D389 PolarHBondContact O-N 3.03Å; G386-S390 WeakPolarHBondContact O-CB 3.16Å; G386-S390 PolarHBondContact O-N 3.32Å |
| 387 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A383 K384 S390 I391 E434 | A383-A387 WeakPolarHBondContact O-CB 3.35Å; A383-A387 PolarHBondContact O-N 2.93Å; K384-A387 PolarHBondContact O-N 3.47Å; A387-S390 WeakPolarHBondContact O-CB 3.39Å; A387-S390 PolarHBondContact O-N 3.48Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 2.77Å; A387-I391 VanDerWaalsContact O-N 3.08Å; A387-E434 HydrophobicContact CB-CB 4.27Å; A387-E434 HydrophobicContact CB-CG 3.86Å |
| 388 | D | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.7 | -76.1 | -34 | 0 | 0 | 0 | 112.1 | K384 I391 R392 | K384-D388 IonicContact NZ-OD1 3.61Å; K384-D388 PolarHBondContact NZ-OD1 2.77Å; K384-D388 IonicContact NZ-OD2 3.93Å; K384-D388 PolarHBondContact NZ-OD2 2.88Å; K384-D388 PolarHBondContact O-N 2.63Å; D388-I391 PolarHBondContact O-N 3.06Å; D388-R392 PolarHBondContact O-N 2.89Å |
| 389 | D | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 178 | -165.4 | 58.7 | 0 | 0 | 0 | 112.4 | Y376 F377 A385 G386 I391 R392 L393 C540 W541 | Y376-D389 WeakPolarHBondContact CE2-OD2 3.38Å; Y376-D389 VanDerWaalsContact CZ-OD2 3.28Å; Y376-D389 PolarHBondContact OH-OD2 3.03Å; F377-D389 HydrophobicContact CE1-CB 4.06Å; F377-D389 HydrophobicContact CZ-CB 4.36Å; A385-D389 WeakPolarHBondContact O-CB 3.29Å; A385-D389 PolarHBondContact O-N 3.42Å; G386-D389 PolarHBondContact O-N 3.03Å; D389-I391 VanDerWaalsContact C-N 3.32Å; D389-I391 PolarHBondContact O-N 2.76Å; D389-R392 WeakPolarHBondContact O-CB 3.47Å; D389-R392 PolarHBondContact O-N 3.48Å; D389-R392 IonicContact OD1-CZ 3.37Å; D389-R392 IonicContact OD1-NE 2.63Å; D389-R392 PolarHBondContact OD1-NE 3.31Å; D389-R392 IonicContact OD1-NH2 2.77Å; D389-R392 PolarHBondContact OD1-NH2 3.11Å; D389-R392 IonicContact OD2-NH2 3.73Å; D389-L393 WeakPolarHBondContact O-CB 3.2Å; D389-L393 WeakPolarHBondContact O-CG 3.48Å; D389-L393 PolarHBondContact O-N 3.08Å; D389-C540 PolarHBondContact OD1-SG 3.37Å; D389-W541 HydrophobicContact CB-CH2 3.86Å; D389-W541 HydrophobicContact CB-CZ2 4.19Å |
| 390 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 170.1 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | E369 G386 A387 L393 L394 | E369-S390 WeakPolarHBondContact O-CA 3.38Å; E369-S390 VanDerWaalsContact O-CB 3.27Å; E369-S390 WeakPolarHBondContact O-CB 3.11Å; E369-S390 PolarHBondContact O-OG 3.21Å; G386-S390 WeakPolarHBondContact O-CB 3.16Å; G386-S390 PolarHBondContact O-N 3.32Å; A387-S390 WeakPolarHBondContact O-CB 3.39Å; A387-S390 PolarHBondContact O-N 3.48Å; S390-L393 PolarHBondContact O-N 3.18Å; S390-L394 VanDerWaalsContact O-CG 3.31Å; S390-L394 WeakPolarHBondContact O-CG 3.28Å; S390-L394 PolarHBondContact O-N 3.47Å |
| 391 | I | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 18% | 0.179 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.5 | -68.3 | 164.1 | 0 | 0 | 0 | 111.4 | T208 A387 D388 D389 L394 K395 | T208-I391 HydrophobicContact CG2-CD1 3.74Å; T208-I391 HydrophobicContact CG2-CG1 3.94Å; T208-I391 HydrophobicContact CG2-CG2 3.93Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 2.77Å; A387-I391 VanDerWaalsContact O-N 3.08Å; D388-I391 PolarHBondContact O-N 3.06Å; D389-I391 VanDerWaalsContact C-N 3.32Å; D389-I391 PolarHBondContact O-N 2.76Å; I391-L394 PolarHBondContact O-N 3.08Å; I391-K395 HydrophobicContact CG2-CD 4.28Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 3.11Å; I391-K395 VanDerWaalsContact O-N 3.13Å |
| 392 | R | 97.8 | Very high | 98 | Very high | 65 Ų | 65 | 29.8 Ų | 29.8 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | 175 | -179.1 | -170.9 | 64.3 | 78.6 | -1.3 | 110.6 | D388 D389 L394 K395 E396 | D388-R392 PolarHBondContact O-N 2.89Å; D389-R392 WeakPolarHBondContact O-CB 3.47Å; D389-R392 PolarHBondContact O-N 3.48Å; D389-R392 IonicContact OD1-CZ 3.37Å; D389-R392 IonicContact OD1-NE 2.63Å; D389-R392 PolarHBondContact OD1-NE 3.31Å; D389-R392 IonicContact OD1-NH2 2.77Å; D389-R392 PolarHBondContact OD1-NH2 3.11Å; D389-R392 IonicContact OD2-NH2 3.73Å; R392-L394 PolarHBondContact O-N 3.39Å; R392-K395 WeakPolarHBondContact O-CB 3.3Å; R392-K395 PolarHBondContact O-N 2.74Å; R392-K395 VanDerWaalsContact O-N 3.1Å; R392-E396 WeakPolarHBondContact CG-OE1 3.34Å; R392-E396 IonicContact NH1-OE1 2.61Å; R392-E396 IonicContact NH1-OE2 3.86Å; R392-E396 PolarHBondContact NH1-OE2 3Å; R392-E396 WeakPolarHBondContact O-CG 3.31Å; R392-E396 PolarHBondContact O-N 3.13Å |
| 393 | L | 97.9 | Very high | 98 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 178.9 | -73.6 | 177.4 | 0 | 0 | 0 | 112.1 | E369 Y374 Y376 F377 D389 S390 K395 E396 L397 | E369-L393 HydrophobicContact CB-CB 3.89Å; E369-L393 HydrophobicContact CB-CD1 4.49Å; E369-L393 HydrophobicContact CG-CB 3.7Å; E369-L393 HydrophobicContact CG-CD1 4.23Å; E369-L393 HydrophobicContact CG-CG 4.5Å; Y374-L393 HydrophobicContact CD2-CD1 3.87Å; Y374-L393 HydrophobicContact CE2-CD1 3.91Å; Y376-L393 WeakPolarHBondContact OH-CD1 3.42Å; F377-L393 HydrophobicContact CE2-CD1 4Å; F377-L393 HydrophobicContact CZ-CD1 3.92Å; D389-L393 WeakPolarHBondContact O-CB 3.2Å; D389-L393 WeakPolarHBondContact O-CG 3.48Å; D389-L393 PolarHBondContact O-N 3.08Å; S390-L393 PolarHBondContact O-N 3.18Å; L393-K395 PolarHBondContact O-N 3.22Å; L393-E396 CarbonylContact O-C 3.55Å; L393-E396 PolarHBondContact O-N 3.35Å; L393-L397 PolarHBondContact O-N 3.12Å |
| 394 | L | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -33.6 | 176.9 | -73.2 | 173 | 0 | 0 | 0 | 113.1 | Y140 E369 L370 S390 I391 R392 L397 L421 L430 | Y140-L394 HydrophobicContact CD1-CD2 4.48Å; Y140-L394 HydrophobicContact CE1-CB 4.25Å; Y140-L394 HydrophobicContact CE1-CD2 4.15Å; E369-L394 HydrophobicContact CB-CD2 3.88Å; E369-L394 HydrophobicContact CB-CG 4.18Å; L370-L394 HydrophobicContact CB-CD2 4.44Å; L370-L394 HydrophobicContact CD1-CD1 4.07Å; S390-L394 VanDerWaalsContact O-CG 3.31Å; S390-L394 WeakPolarHBondContact O-CG 3.28Å; S390-L394 PolarHBondContact O-N 3.47Å; I391-L394 PolarHBondContact O-N 3.08Å; R392-L394 PolarHBondContact O-N 3.39Å; L394-L397 HydrophobicContact CD2-CD1 3.78Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L394-L430 HydrophobicContact CD1-CD1 3.75Å; L394-L430 HydrophobicContact CD1-CD2 4.12Å; L394-L430 HydrophobicContact CD1-CG 4.4Å |
| 395 | K | 97.4 | Very high | 98 | Very high | 126 Ų | 126 | 23 Ų | 23 | 55% | 0.548 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -74.9 | -27.3 | 175.2 | -72 | 173.1 | 179.6 | 176.5 | 0 | 112.8 | I391 R392 L393 Y398 | I391-K395 HydrophobicContact CG2-CD 4.28Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 3.11Å; I391-K395 VanDerWaalsContact O-N 3.13Å; R392-K395 WeakPolarHBondContact O-CB 3.3Å; R392-K395 PolarHBondContact O-N 2.74Å; R392-K395 VanDerWaalsContact O-N 3.1Å; L393-K395 PolarHBondContact O-N 3.22Å; K395-Y398 VanDerWaalsContact O-CD1 3.27Å; K395-Y398 WeakPolarHBondContact O-CD1 3.27Å; K395-Y398 WeakPolarHBondContact O-CE1 3.41Å |
| 396 | E | 97.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 22 Ų | 22 | 17% | 0.168 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -96.5 | -6.9 | -177.5 | -69.7 | 176.1 | -167.7 | 0 | 0 | 113.4 | R392 L393 Y398 L399 F400 H535 | R392-E396 WeakPolarHBondContact CG-OE1 3.34Å; R392-E396 IonicContact NH1-OE1 2.61Å; R392-E396 IonicContact NH1-OE2 3.86Å; R392-E396 PolarHBondContact NH1-OE2 3Å; R392-E396 WeakPolarHBondContact O-CG 3.31Å; R392-E396 PolarHBondContact O-N 3.13Å; L393-E396 CarbonylContact O-C 3.55Å; L393-E396 PolarHBondContact O-N 3.35Å; E396-Y398 PolarHBondContact O-N 2.92Å; E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 2.85Å; E396-F400 HydrophobicContact CB-CD2 4.13Å; E396-F400 HydrophobicContact CB-CE2 3.99Å; E396-F400 WeakPolarHBondContact O-CD2 3.46Å; E396-H535 VanDerWaalsContact CD-NE2 3.33Å; E396-H535 IonicContact OE1-CE1 3.36Å; E396-H535 IonicContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CE1 2.85Å; E396-H535 IonicContact OE2-NE2 3.09Å; E396-H535 PolarHBondContact OE2-NE2 3.03Å |
| 397 | L | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -44.9 | -41.3 | 179 | -88.6 | 173.9 | 0 | 0 | 0 | 113.2 | Y140 E369 L393 L394 L399 F400 D401 V402 L421 | Y140-L397 HydrophobicContact CD1-CD1 4.42Å; E369-L397 HydrophobicContact CG-CD2 3.69Å; E369-L397 HydrophobicContact CG-CG 4.17Å; L393-L397 PolarHBondContact O-N 3.12Å; L394-L397 HydrophobicContact CD2-CD1 3.78Å; L397-L399 PolarHBondContact O-N 3.45Å; L397-L399 VanDerWaalsContact O-N 3.13Å; L397-F400 CarbonylContact O-C 3.39Å; L397-F400 PolarHBondContact O-N 3.14Å; L397-D401 HydrophobicContact CD2-CB 3.97Å; L397-D401 PolarHBondContact O-N 3.23Å; L397-V402 HydrophobicContact CB-CB 4.2Å; L397-V402 HydrophobicContact CB-CG2 3.91Å; L397-V402 HydrophobicContact CD1-CG2 4.37Å; L397-V402 HydrophobicContact CD2-CG2 4.21Å; L397-V402 HydrophobicContact CG-CG2 4.41Å; L397-V402 WeakPolarHBondContact O-CB 3.49Å; L397-V402 PolarHBondContact O-N 3.02Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.58Å; L397-L421 HydrophobicContact CD1-CG 4.41Å |
| 398 | Y | 98.2 | Very high | 98.1 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 15% | 0.153 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -64.8 | -12.8 | -178.2 | 84.7 | -83.5 | 0 | 0 | 0 | 114.9 | P179 P182 K395 E396 L403 | P179-Y398 HydrophobicContact CB-CE2 4.06Å; P182-Y398 HydrophobicContact CG-CD1 3.55Å; P182-Y398 HydrophobicContact CG-CD2 4.25Å; P182-Y398 HydrophobicContact CG-CE1 4.17Å; P182-Y398 HydrophobicContact CG-CG 3.58Å; K395-Y398 VanDerWaalsContact O-CD1 3.27Å; K395-Y398 WeakPolarHBondContact O-CD1 3.27Å; K395-Y398 WeakPolarHBondContact O-CE1 3.41Å; E396-Y398 PolarHBondContact O-N 2.92Å; Y398-L403 WeakPolarHBondContact O-CB 3.49Å |
| 399 | L | 98 | Very high | 98.1 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -95.2 | -21.2 | 174.2 | -63.1 | 172.5 | 0 | 0 | 0 | 112.4 | E396 L397 | E396-L399 WeakPolarHBondContact O-CB 3.39Å; E396-L399 PolarHBondContact O-N 2.85Å; L397-L399 PolarHBondContact O-N 3.45Å; L397-L399 VanDerWaalsContact O-N 3.13Å |
| 400 | F | 97.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -105.2 | -168.6 | -54.5 | -60.9 | 0 | 0 | 0 | 111.4 | D335 E396 L397 V402 L403 R404 L533 H535 W537 | D335-F400 HydrophobicContact CB-CE1 4.45Å; E396-F400 HydrophobicContact CB-CD2 4.13Å; E396-F400 HydrophobicContact CB-CE2 3.99Å; E396-F400 WeakPolarHBondContact O-CD2 3.46Å; L397-F400 CarbonylContact O-C 3.39Å; L397-F400 PolarHBondContact O-N 3.14Å; F400-V402 PolarHBondContact O-N 2.98Å; F400-L403 WeakPolarHBondContact O-CA 3.43Å; F400-L403 WeakPolarHBondContact O-CB 3.24Å; F400-L403 PolarHBondContact O-N 3.32Å; F400-R404 PolarHBondContact O-N 2.87Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.44Å; F400-H535 AromaticContact CE2-NE2 3.81Å; F400-H535 AromaticContact CZ-CD2 3.8Å; F400-H535 AromaticContact CZ-NE2 3.74Å; F400-W537 HydrophobicContact CD1-CB 3.71Å; F400-W537 HydrophobicContact CD1-CG 4.35Å; F400-W537 HydrophobicContact CD2-CB 4.48Å; F400-W537 AromaticContact CD2-CD1 3.63Å; F400-W537 HydrophobicContact CD2-CG 4.46Å; F400-W537 HydrophobicContact CE1-CB 3.57Å; F400-W537 HydrophobicContact CE1-CG 4.48Å; F400-W537 HydrophobicContact CE2-CB 4.35Å; F400-W537 AromaticContact CE2-CD1 3.95Å; F400-W537 HydrophobicContact CG-CB 4.17Å; F400-W537 AromaticContact CG-CD1 3.75Å; F400-W537 HydrophobicContact CG-CG 4.33Å; F400-W537 HydrophobicContact CZ-CB 3.91Å |
| 401 | D | 97.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 18.6 Ų | 18.6 | 11% | 0.112 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | -170.7 | -67.5 | -91.2 | 0 | 0 | 0 | 114.1 | E365 L397 R404 A405 | E365-D401 HydrophobicContact CG-CB 4.38Å; L397-D401 HydrophobicContact CD2-CB 3.97Å; L397-D401 PolarHBondContact O-N 3.23Å; D401-R404 PolarHBondContact O-N 3.32Å; D401-R404 IonicContact OD1-CZ 3.23Å; D401-R404 IonicContact OD1-NE 2.78Å; D401-R404 IonicContact OD1-NH2 3.59Å; D401-R404 PolarHBondContact OD1-NH2 2.86Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.45Å; D401-A405 PolarHBondContact O-N 2.91Å |
| 402 | V | 97.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | 175.7 | 159.2 | 0 | 0 | 0 | 0 | 111.3 | G141 V142 L397 F400 A405 D406 L421 | G141-V402 WeakPolarHBondContact O-CG1 3.4Å; V142-V402 VanDerWaalsContact CA-CG1 3.45Å; V142-V402 HydrophobicContact CB-CG1 4.47Å; L397-V402 HydrophobicContact CB-CB 4.2Å; L397-V402 HydrophobicContact CB-CG2 3.91Å; L397-V402 HydrophobicContact CD1-CG2 4.37Å; L397-V402 HydrophobicContact CD2-CG2 4.21Å; L397-V402 HydrophobicContact CG-CG2 4.41Å; L397-V402 WeakPolarHBondContact O-CB 3.49Å; L397-V402 PolarHBondContact O-N 3.02Å; F400-V402 PolarHBondContact O-N 2.98Å; V402-A405 PolarHBondContact O-N 2.77Å; V402-D406 WeakPolarHBondContact O-CB 3.37Å; V402-D406 PolarHBondContact O-N 2.72Å; V402-L421 HydrophobicContact CG2-CD1 3.7Å |
| 403 | L | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 15.1 Ų | 15.1 | 7% | 0.073 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.8 | -51.3 | 172.4 | 178.5 | 151.8 | 0 | 0 | 0 | 110.2 | L331 T333 T338 Y398 F400 A405 D406 R407 | L331-L403 HydrophobicContact CB-CD2 4.01Å; L331-L403 HydrophobicContact CD2-CD2 3.56Å; L331-L403 HydrophobicContact CG-CD2 4.38Å; L331-L403 WeakPolarHBondContact O-CD2 3.15Å; T333-L403 HydrophobicContact CG2-CD2 4Å; T338-L403 HydrophobicContact CG2-CD2 3.99Å; Y398-L403 WeakPolarHBondContact O-CB 3.49Å; F400-L403 WeakPolarHBondContact O-CA 3.43Å; F400-L403 WeakPolarHBondContact O-CB 3.24Å; F400-L403 PolarHBondContact O-N 3.32Å; L403-A405 PolarHBondContact O-N 2.97Å; L403-D406 PolarHBondContact O-N 3.13Å; L403-R407 HydrophobicContact CD2-CG 4.37Å; L403-R407 HydrophobicContact CG-CG 4.28Å; L403-R407 WeakPolarHBondContact O-CB 3.44Å; L403-R407 VanDerWaalsContact O-CG 3.24Å; L403-R407 WeakPolarHBondContact O-CG 3.16Å; L403-R407 PolarHBondContact O-N 3.06Å |
| 404 | R | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 15 Ų | 15 | 6% | 0.06 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -53.5 | -53.8 | 175.2 | 161.9 | 172.8 | 66.7 | 70.7 | 2.4 | 110.8 | L331 T338 S342 M345 E365 F400 D401 D406 R407 T408 | L331-R404 HydrophobicContact CD2-CB 4.34Å; T338-R404 HydrophobicContact CG2-CB 3.99Å; S342-R404 WeakPolarHBondContact OG-CB 3.37Å; S342-R404 WeakPolarHBondContact OG-CD 3.45Å; S342-R404 WeakPolarHBondContact OG-CG 3.49Å; M345-R404 HydrophobicContact SD-CG 3.9Å; M345-R404 PolarHBondContact SD-NH1 2.91Å; E365-R404 IonicContact OE1-CZ 2.63Å; E365-R404 IonicContact OE1-NH1 3.33Å; E365-R404 PolarHBondContact OE1-NH1 2.92Å; E365-R404 IonicContact OE1-NH2 2.98Å; E365-R404 PolarHBondContact OE1-NH2 2.81Å; F400-R404 PolarHBondContact O-N 2.87Å; D401-R404 PolarHBondContact O-N 3.32Å; D401-R404 IonicContact OD1-CZ 3.23Å; D401-R404 IonicContact OD1-NE 2.78Å; D401-R404 IonicContact OD1-NH2 3.59Å; D401-R404 PolarHBondContact OD1-NH2 2.86Å; R404-D406 PolarHBondContact O-N 3.16Å; R404-R407 PolarHBondContact O-N 2.91Å; R404-T408 HydrophobicContact CG-CG2 4.5Å; R404-T408 WeakPolarHBondContact O-CB 3.45Å; R404-T408 WeakPolarHBondContact O-CG2 3.28Å; R404-T408 PolarHBondContact O-N 3.49Å; R404-T408 PolarHBondContact O-OG1 2.86Å |
| 405 | A | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M345 E365 D401 V402 L403 T409 L416 | M345-A405 VanDerWaalsContact CE-CA 3.49Å; M345-A405 HydrophobicContact CE-CB 3.62Å; M345-A405 HydrophobicContact SD-CB 4.17Å; E365-A405 HydrophobicContact CG-CB 4.11Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.45Å; D401-A405 PolarHBondContact O-N 2.91Å; V402-A405 PolarHBondContact O-N 2.77Å; L403-A405 PolarHBondContact O-N 2.97Å; A405-T409 WeakPolarHBondContact O-CB 3.33Å; A405-T409 WeakPolarHBondContact O-CG2 3.43Å; A405-T409 PolarHBondContact O-OG1 3.33Å; A405-L416 HydrophobicContact CB-CD1 4.11Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.36Å |
| 406 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.2 | -53.9 | 174.7 | 172 | 99 | 0 | 0 | 0 | 111.8 | M1 R27 P144 V402 L403 R404 T408 T409 A410 | M1-D406 VanDerWaalsContact CE-CA 3.5Å; M1-D406 HydrophobicContact CE-CB 3.94Å; M1-D406 WeakPolarHBondContact CE-O 3.25Å; M1-D406 WeakPolarHBondContact CE-OD1 3.41Å; R27-D406 IonicContact CZ-OD1 3.96Å; R27-D406 IonicContact CZ-OD2 2.77Å; R27-D406 IonicContact NH1-OD1 3.18Å; R27-D406 IonicContact NH1-OD2 2.63Å; R27-D406 PolarHBondContact NH1-OD2 2.82Å; R27-D406 IonicContact NH2-OD1 2.63Å; R27-D406 PolarHBondContact NH2-OD1 3.3Å; R27-D406 IonicContact NH2-OD2 2.87Å; R27-D406 PolarHBondContact NH2-OD2 2.84Å; R27-D406 VanDerWaalsContact NH2-OD2 3.16Å; P144-D406 WeakPolarHBondContact CD-OD1 3.48Å; P144-D406 WeakPolarHBondContact CG-OD2 3.16Å; V402-D406 WeakPolarHBondContact O-CB 3.37Å; V402-D406 PolarHBondContact O-N 2.72Å; L403-D406 PolarHBondContact O-N 3.13Å; R404-D406 PolarHBondContact O-N 3.16Å; D406-T408 PolarHBondContact O-N 3.36Å; D406-T409 PolarHBondContact O-OG1 2.87Å; D406-A410 WeakPolarHBondContact O-CB 3.32Å; D406-A410 PolarHBondContact O-N 2.77Å |
| 407 | R | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.015 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | -170.2 | -64.6 | -58.2 | -179 | -64.7 | -16.5 | 112.5 | P144 H330 L331 L403 R404 A411 | P144-R407 VanDerWaalsContact CG-NH1 3.29Å; H330-R407 WeakPolarHBondContact O-CB 3.49Å; H330-R407 WeakPolarHBondContact O-CD 3.34Å; H330-R407 WeakPolarHBondContact O-CG 3.34Å; L331-R407 HydrophobicContact CD2-CB 4.13Å; L403-R407 HydrophobicContact CD2-CG 4.37Å; L403-R407 HydrophobicContact CG-CG 4.28Å; L403-R407 WeakPolarHBondContact O-CB 3.44Å; L403-R407 VanDerWaalsContact O-CG 3.24Å; L403-R407 WeakPolarHBondContact O-CG 3.16Å; L403-R407 PolarHBondContact O-N 3.06Å; R404-R407 PolarHBondContact O-N 2.91Å; R407-A411 VanDerWaalsContact O-CB 3.31Å; R407-A411 WeakPolarHBondContact O-CB 3.29Å; R407-A411 PolarHBondContact O-N 3.18Å |
| 408 | T | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -71.9 | -37.7 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | L331 M345 S349 R404 D406 | L331-T408 HydrophobicContact CD2-CG2 4.23Å; M345-T408 HydrophobicContact CB-CG2 4.43Å; M345-T408 VanDerWaalsContact CG-OG1 3.25Å; M345-T408 WeakPolarHBondContact CG-OG1 3.41Å; M345-T408 PolarHBondContact SD-OG1 3.21Å; S349-T408 WeakPolarHBondContact CB-O 3.38Å; R404-T408 HydrophobicContact CG-CG2 4.5Å; R404-T408 WeakPolarHBondContact O-CB 3.45Å; R404-T408 WeakPolarHBondContact O-CG2 3.28Å; R404-T408 PolarHBondContact O-N 3.49Å; R404-T408 PolarHBondContact O-OG1 2.86Å; D406-T408 PolarHBondContact O-N 3.36Å |
| 409 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -73.7 | -41.4 | 174.4 | 57 | 0 | 0 | 0 | 0 | 111.6 | M1 M345 A405 D406 A411 H412 L414 L416 | M1-T409 WeakPolarHBondContact CE-OG1 3.3Å; M345-T409 HydrophobicContact CE-CG2 3.94Å; A405-T409 WeakPolarHBondContact O-CB 3.33Å; A405-T409 WeakPolarHBondContact O-CG2 3.43Å; A405-T409 PolarHBondContact O-OG1 3.33Å; D406-T409 PolarHBondContact O-OG1 2.87Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.4Å; T409-H412 PolarHBondContact O-N 2.79Å; T409-L414 WeakPolarHBondContact O-CB 3.47Å; T409-L414 PolarHBondContact O-N 3Å; T409-L414 VanDerWaalsContact O-N 3.08Å; T409-L416 HydrophobicContact CG2-CD1 4.49Å |
| 410 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.5 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M1 H26 R27 D406 H412 G413 | M1-A410 HydrophobicContact CB-CB 4.35Å; M1-A410 HydrophobicContact CE-CB 3.76Å; H26-A410 CarbonylContact C-O 3.35Å; H26-A410 PolarHBondContact CD2-O 2.87Å; H26-A410 VanDerWaalsContact O-O 3.06Å; R27-A410 WeakPolarHBondContact CA-O 3.35Å; R27-A410 HydrophobicContact CB-CB 4.41Å; R27-A410 HydrophobicContact CG-CB 4.07Å; R27-A410 VanDerWaalsContact NH1-CB 3.28Å; D406-A410 WeakPolarHBondContact O-CB 3.32Å; D406-A410 PolarHBondContact O-N 2.77Å; A410-H412 PolarHBondContact O-N 2.71Å; A410-G413 PolarHBondContact O-N 3.24Å |
| 411 | A | 98.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 5 Ų | 5 | 8% | 0.083 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H330 Y346 R407 T409 | H330-A411 HydrophobicContact CB-CB 4.33Å; Y346-A411 HydrophobicContact CD2-CB 3.95Å; Y346-A411 HydrophobicContact CE2-CB 3.65Å; R407-A411 VanDerWaalsContact O-CB 3.31Å; R407-A411 WeakPolarHBondContact O-CB 3.29Å; R407-A411 PolarHBondContact O-N 3.18Å; T409-A411 VanDerWaalsContact C-N 3.31Å; T409-A411 PolarHBondContact O-N 3.4Å |
| 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 | -115.1 | 17.7 | 179.8 | -59.2 | -64.7 | 0 | 0 | 0 | 113.3 | Y346 K350 R353 T409 A410 L414 | Y346-H412 AromaticContact CD1-NE2 3.88Å; Y346-H412 AromaticContact CD2-NE2 3.39Å; Y346-H412 WeakPolarHBondContact CD2-NE2 3.41Å; Y346-H412 AromaticContact CE1-NE2 3.69Å; Y346-H412 AromaticContact CE2-CE1 3.76Å; Y346-H412 AromaticContact CE2-NE2 3.16Å; Y346-H412 WeakPolarHBondContact CE2-NE2 3.13Å; Y346-H412 AromaticContact CG-NE2 3.74Å; Y346-H412 AromaticContact CZ-CE1 3.58Å; Y346-H412 AromaticContact CZ-NE2 3.31Å; Y346-H412 VanDerWaalsContact CZ-NE2 3.31Å; Y346-H412 PolarHBondContact O-CD2 3.31Å; Y346-H412 PolarHBondContact O-NE2 3.48Å; K350-H412 PolarHBondContact N-CD2 3.09Å; K350-H412 VanDerWaalsContact N-CD2 3.32Å; R353-H412 HydrophobicContact CB-CB 3.99Å; R353-H412 WeakPolarHBondContact CD-O 3.46Å; R353-H412 HydrophobicContact CG-CB 4.43Å; R353-H412 VanDerWaalsContact CG-O 3.27Å; R353-H412 WeakPolarHBondContact CG-O 3.26Å; R353-H412 PolarHBondContact NH1-O 3.33Å; T409-H412 PolarHBondContact O-N 2.79Å; A410-H412 PolarHBondContact O-N 2.71Å; H412-L414 VanDerWaalsContact C-N 3.35Å; H412-L414 PolarHBondContact O-N 2.99Å |
| 413 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 4.4 Ų | 4.4 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H26 R27 L50 A410 | H26-G413 VanDerWaalsContact O-CA 3.29Å; H26-G413 WeakPolarHBondContact O-CA 3.11Å; H26-G413 PolarHBondContact O-N 3.47Å; R27-G413 WeakPolarHBondContact O-CA 3.18Å; L50-G413 VanDerWaalsContact CD1-O 3.28Å; L50-G413 WeakPolarHBondContact CD1-O 3.4Å; L50-G413 VanDerWaalsContact CD2-O 3.24Å; L50-G413 WeakPolarHBondContact CD2-O 3.42Å; A410-G413 PolarHBondContact O-N 3.24Å |
| 414 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | trans | -103.3 | 158.9 | 174.5 | -54.8 | 177 | 0 | 0 | 0 | 110.8 | M1 S349 I352 R353 S358 I361 T409 H412 | M1-L414 WeakPolarHBondContact CG-O 3.41Å; M1-L414 PolarHBondContact N-O 3.14Å; S349-L414 WeakPolarHBondContact O-CD1 3.49Å; I352-L414 HydrophobicContact CB-CD1 3.8Å; I352-L414 HydrophobicContact CD1-CD1 4.33Å; I352-L414 HydrophobicContact CG2-CD1 3.65Å; I352-L414 HydrophobicContact CG2-CD2 3.93Å; I352-L414 HydrophobicContact CG2-CG 4.47Å; R353-L414 HydrophobicContact CB-CD2 4.41Å; S358-L414 WeakPolarHBondContact O-CD2 3.3Å; I361-L414 HydrophobicContact CG1-CB 4.2Å; I361-L414 HydrophobicContact CG1-CD1 4.13Å; T409-L414 WeakPolarHBondContact O-CB 3.47Å; T409-L414 PolarHBondContact O-N 3Å; T409-L414 VanDerWaalsContact O-N 3.08Å; H412-L414 VanDerWaalsContact C-N 3.35Å; H412-L414 PolarHBondContact O-N 2.99Å | ||
| 415 | E | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 4.4 Ų | 4.4 | 2% | 0.019 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.9 | 174 | 175.7 | 172.1 | 91.4 | 0 | 0 | 112.5 | M1 L50 I52 E77 R143 V359 I361 R417 | M1-E415 HydrophobicContact CG-CB 4.12Å; M1-E415 HydrophobicContact CG-CG 4.08Å; L50-E415 HydrophobicContact CD2-CB 4.16Å; I52-E415 HydrophobicContact CD1-CB 4.22Å; I52-E415 HydrophobicContact CG1-CB 4.33Å; E77-E415 VanDerWaalsContact CG-OE2 3.32Å; E77-E415 WeakPolarHBondContact CG-OE2 3.39Å; R143-E415 VanDerWaalsContact NH2-CG 3.32Å; R143-E415 IonicContact NH2-OE2 2.62Å; R143-E415 PolarHBondContact NH2-OE2 3.28Å; V359-E415 PolarHBondContact O-N 3.34Å; I361-E415 PolarHBondContact N-O 3.49Å; E415-R417 IonicContact OE1-CZ 3.01Å; E415-R417 VanDerWaalsContact OE1-CZ 3.23Å; E415-R417 IonicContact OE1-NE 3.84Å; E415-R417 PolarHBondContact OE1-NE 2.62Å; E415-R417 IonicContact OE1-NH2 3.78Å; E415-R417 PolarHBondContact OE1-NH2 2.78Å |
| 416 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.9 | 172.2 | -177.7 | 75.6 | 0 | 0 | 0 | 112.5 | M1 R143 M345 I361 A405 T409 V418 | M1-L416 HydrophobicContact CE-CB 3.94Å; M1-L416 HydrophobicContact SD-CB 4.28Å; R143-L416 PolarHBondContact NH1-O 3.3Å; R143-L416 PolarHBondContact NH2-O 2.96Å; M345-L416 HydrophobicContact CE-CD1 4.24Å; I361-L416 WeakPolarHBondContact O-CA 3.4Å; A405-L416 HydrophobicContact CB-CD1 4.11Å; A405-L416 HydrophobicContact CB-CD2 3.36Å; A405-L416 HydrophobicContact CB-CG 4.36Å; T409-L416 HydrophobicContact CG2-CD1 4.49Å; L416-V418 HydrophobicContact CD1-CG1 4.12Å; L416-V418 HydrophobicContact CD2-CG1 3.91Å; L416-V418 HydrophobicContact CG-CG1 3.96Å |
| 417 | R | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | 165.4 | -61.9 | -169.5 | -177.5 | -162.6 | -5.2 | 111.7 | E77 R246 M248 V360 I361 F362 S363 E415 | E77-R417 VanDerWaalsContact CD-NH2 3.26Å; E77-R417 IonicContact OE1-NH2 3.27Å; E77-R417 IonicContact OE2-NH2 2.77Å; E77-R417 PolarHBondContact OE2-NH2 2.99Å; R246-R417 VanDerWaalsContact C-NH1 3.35Å; R246-R417 WeakPolarHBondContact O-CD 3.47Å; R246-R417 PolarHBondContact O-NH1 2.82Å; M248-R417 VanDerWaalsContact O-CZ 3.24Å; M248-R417 PolarHBondContact O-NH1 2.59Å; M248-R417 PolarHBondContact O-NH2 3.33Å; V360-R417 VanDerWaalsContact CG1-CD 3.43Å; V360-R417 HydrophobicContact CG1-CG 3.9Å; I361-R417 PolarHBondContact O-N 3.48Å; F362-R417 WeakPolarHBondContact CA-O 3.46Å; F362-R417 HydrophobicContact CD1-CB 4.4Å; F362-R417 HydrophobicContact CD2-CB 4.22Å; F362-R417 HydrophobicContact CE1-CB 4.48Å; F362-R417 HydrophobicContact CE2-CB 4.29Å; F362-R417 HydrophobicContact CG-CB 4.3Å; F362-R417 HydrophobicContact CZ-CB 4.46Å; S363-R417 PolarHBondContact N-O 2.97Å; E415-R417 IonicContact OE1-CZ 3.01Å; E415-R417 VanDerWaalsContact OE1-CZ 3.23Å; E415-R417 IonicContact OE1-NE 3.84Å; E415-R417 PolarHBondContact OE1-NE 2.62Å; E415-R417 IonicContact OE1-NH2 3.78Å; E415-R417 PolarHBondContact OE1-NH2 2.78Å |
| 418 | V | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.012 | 3% | 0.032 | C | C | . | . | trans | -124.7 | 89.6 | -173.9 | -76.3 | 0 | 0 | 0 | 0 | 110.3 | V142 E365 L416 F420 L421 | V142-V418 HydrophobicContact CG1-CG2 3.91Å; V142-V418 HydrophobicContact CG2-CG2 4.13Å; E365-V418 HydrophobicContact CB-CG1 3.97Å; L416-V418 HydrophobicContact CD1-CG1 4.12Å; L416-V418 HydrophobicContact CD2-CG1 3.91Å; L416-V418 HydrophobicContact CG-CG1 3.96Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 2.83Å; V418-L421 HydrophobicContact CB-CD1 4.5Å; V418-L421 HydrophobicContact CG2-CB 4.25Å; V418-L421 HydrophobicContact CG2-CD1 3.94Å; V418-L421 HydrophobicContact CG2-CG 4.34Å; V418-L421 PolarHBondContact O-N 2.93Å | ||
| 419 | P | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -66.4 | -24.9 | -174.7 | 26.1 | -35.3 | 0 | 0 | 0 | 114.1 | F239 A242 V243 V266 F362 S363 L421 D422 | F239-P419 HydrophobicContact CE2-CG 4.46Å; A242-P419 HydrophobicContact CB-CB 4.09Å; V243-P419 HydrophobicContact CG2-CB 3.76Å; V243-P419 HydrophobicContact CG2-CG 3.98Å; V266-P419 HydrophobicContact CG1-CG 4.02Å; V266-P419 HydrophobicContact CG2-CG 3.67Å; F362-P419 HydrophobicContact CD1-CG 4.41Å; S363-P419 WeakPolarHBondContact O-CD 3.38Å; P419-L421 PolarHBondContact O-N 3.47Å; P419-D422 VanDerWaalsContact O-CB 3.22Å; P419-D422 WeakPolarHBondContact O-CB 3.43Å; P419-D422 PolarHBondContact O-N 3.43Å; P419-D422 VanDerWaalsContact O-N 3.08Å |
| 420 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | G | 310 helix | trans | -63.9 | -21.9 | 175.2 | -80.7 | -77.6 | 0 | 0 | 0 | 113.5 | F239 D262 V266 S367 V418 D422 F425 T426 L448 | F239-F420 HydrophobicContact CD2-CD1 4.46Å; F239-F420 HydrophobicContact CD2-CE1 4.21Å; F239-F420 HydrophobicContact CD2-CZ 4.41Å; F239-F420 HydrophobicContact CE2-CD1 4.06Å; F239-F420 HydrophobicContact CE2-CD2 4Å; F239-F420 AromaticContact CE2-CE1 3.74Å; F239-F420 HydrophobicContact CE2-CE1 3.74Å; F239-F420 AromaticContact CE2-CE2 3.7Å; F239-F420 HydrophobicContact CE2-CE2 3.7Å; F239-F420 HydrophobicContact CE2-CG 4.18Å; F239-F420 AromaticContact CE2-CZ 3.54Å; F239-F420 HydrophobicContact CE2-CZ 3.54Å; F239-F420 HydrophobicContact CZ-CE1 4.49Å; F239-F420 AromaticContact CZ-CE2 3.98Å; F239-F420 HydrophobicContact CZ-CE2 3.98Å; F239-F420 AromaticContact CZ-CZ 3.89Å; F239-F420 HydrophobicContact CZ-CZ 3.89Å; D262-F420 HydrophobicContact CB-CE2 3.88Å; D262-F420 HydrophobicContact CB-CZ 4.3Å; V266-F420 HydrophobicContact CG2-CD2 4.01Å; V266-F420 HydrophobicContact CG2-CE2 3.67Å; S367-F420 WeakPolarHBondContact OG-CE1 3.4Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 2.83Å; F420-D422 VanDerWaalsContact C-N 3.32Å; F420-F425 AromaticContact CD1-CE1 3.71Å; F420-F425 HydrophobicContact CD1-CE1 3.71Å; F420-F425 HydrophobicContact CD1-CZ 4.31Å; F420-F425 HydrophobicContact CE1-CE1 4.23Å; F420-F425 HydrophobicContact CE1-CZ 4.39Å; F420-T426 WeakPolarHBondContact O-CG2 3.24Å; F420-L448 HydrophobicContact CE1-CD1 4.21Å; F420-L448 HydrophobicContact CE1-CD2 3.85Å; F420-L448 HydrophobicContact CZ-CD2 4.14Å |
| 421 | L | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -93.6 | 16.6 | 175.4 | -61 | -177.2 | 0 | 0 | 0 | 113.2 | Y140 V142 L394 L397 V402 V418 P419 H423 | Y140-L421 HydrophobicContact CD1-CD2 4.33Å; Y140-L421 HydrophobicContact CD2-CB 4.04Å; Y140-L421 HydrophobicContact CE2-CB 4.46Å; Y140-L421 WeakPolarHBondContact CE2-O 3.45Å; Y140-L421 HydrophobicContact CG-CB 4.45Å; Y140-L421 HydrophobicContact CG-CD2 4.32Å; V142-L421 HydrophobicContact CG2-CD1 3.95Å; L394-L421 HydrophobicContact CD2-CD2 4.03Å; L397-L421 HydrophobicContact CD1-CD1 3.91Å; L397-L421 HydrophobicContact CD1-CD2 3.58Å; L397-L421 HydrophobicContact CD1-CG 4.41Å; V402-L421 HydrophobicContact CG2-CD1 3.7Å; V418-L421 HydrophobicContact CB-CD1 4.5Å; V418-L421 HydrophobicContact CG2-CB 4.25Å; V418-L421 HydrophobicContact CG2-CD1 3.94Å; V418-L421 HydrophobicContact CG2-CG 4.34Å; V418-L421 PolarHBondContact O-N 2.93Å; P419-L421 PolarHBondContact O-N 3.47Å; L421-H423 PolarHBondContact O-N 2.63Å |
| 422 | D | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -62.8 | 129.8 | 172.3 | -175.1 | -89.8 | 0 | 0 | 0 | 111.8 | A242 K245 R246 P419 F420 R424 F425 T426 | A242-D422 HydrophobicContact CB-CB 3.44Å; A242-D422 VanDerWaalsContact CB-CB 3.44Å; K245-D422 WeakPolarHBondContact CD-OD2 3.42Å; K245-D422 VanDerWaalsContact CE-OD2 3.25Å; K245-D422 WeakPolarHBondContact CE-OD2 3.32Å; K245-D422 IonicContact NZ-OD1 3.92Å; K245-D422 PolarHBondContact NZ-OD1 3.3Å; K245-D422 IonicContact NZ-OD2 3.79Å; K245-D422 PolarHBondContact NZ-OD2 2.81Å; R246-D422 IonicContact CZ-OD2 2.7Å; R246-D422 IonicContact NH1-OD2 2.78Å; R246-D422 PolarHBondContact NH1-OD2 3.44Å; R246-D422 IonicContact NH2-OD2 3.31Å; R246-D422 PolarHBondContact NH2-OD2 2.69Å; P419-D422 VanDerWaalsContact O-CB 3.22Å; P419-D422 WeakPolarHBondContact O-CB 3.43Å; P419-D422 PolarHBondContact O-N 3.43Å; P419-D422 VanDerWaalsContact O-N 3.08Å; F420-D422 VanDerWaalsContact C-N 3.32Å; D422-R424 VanDerWaalsContact C-N 3.25Å; D422-R424 PolarHBondContact O-N 3.41Å; D422-R424 VanDerWaalsContact O-N 3.17Å; D422-R424 WeakPolarHBondContact OD1-CB 3.42Å; D422-R424 PolarHBondContact OD1-N 3.44Å; D422-F425 HydrophobicContact CB-CB 3.95Å; D422-F425 PolarHBondContact O-N 3.42Å; D422-F425 VanDerWaalsContact O-N 3.12Å; D422-F425 PolarHBondContact OD1-N 2.88Å; D422-T426 WeakPolarHBondContact O-CG2 3.3Å; D422-T426 PolarHBondContact O-N 3.22Å; D422-T426 PolarHBondContact O-OG1 2.85Å | ||
| 423 | H | 96.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.5 | -36.7 | -173.8 | -59.5 | 130.4 | 0 | 0 | 0 | 113.7 | D118 G119 T139 P211 H213 L421 T426 A427 | D118-H423 IonicContact OD1-CG 3.96Å; D118-H423 IonicContact OD1-ND1 3.04Å; D118-H423 PolarHBondContact OD1-ND1 2.97Å; G119-H423 PolarHBondContact O-CE1 3.21Å; T139-H423 WeakPolarHBondContact CB-NE2 3.25Å; T139-H423 PolarHBondContact OG1-CD2 3.48Å; T139-H423 PolarHBondContact OG1-NE2 3.07Å; P211-H423 HydrophobicContact CB-CB 4.04Å; P211-H423 HydrophobicContact CG-CB 3.81Å; H213-H423 AromaticContact CE1-ND1 3.94Å; H213-H423 WeakPolarHBondContact NE2-CB 3.4Å; H213-H423 AromaticContact NE2-CG 3.54Å; H213-H423 AromaticContact NE2-ND1 3.07Å; H213-H423 PolarHBondContact NE2-ND1 3.15Å; L421-H423 PolarHBondContact O-N 2.63Å; H423-T426 PolarHBondContact O-OG1 2.98Å; H423-A427 WeakPolarHBondContact O-CB 3.47Å; H423-A427 PolarHBondContact O-N 3.47Å; H423-A427 VanDerWaalsContact O-N 3.11Å |
| 424 | R | 94.2 | Very high | 97.2 | Very high | 30 Ų | 30 | 13.6 Ų | 13.6 | 11% | 0.113 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -77 | -41.2 | -179.7 | -67.9 | -77.2 | -71.2 | 158.4 | -2.4 | 110.7 | E210 A214 D217 L238 D422 Y428 | E210-R424 IonicContact OE1-CZ 3.72Å; E210-R424 IonicContact OE1-NH1 2.79Å; E210-R424 PolarHBondContact OE1-NH1 2.55Å; A214-R424 VanDerWaalsContact CB-NH1 3.34Å; D217-R424 WeakPolarHBondContact OD2-CG 3.43Å; D217-R424 IonicContact OD2-CZ 3.53Å; D217-R424 IonicContact OD2-NE 3.56Å; D217-R424 PolarHBondContact OD2-NE 3.04Å; L238-R424 HydrophobicContact CD2-CB 3.9Å; D422-R424 VanDerWaalsContact C-N 3.25Å; D422-R424 PolarHBondContact O-N 3.41Å; D422-R424 VanDerWaalsContact O-N 3.17Å; D422-R424 WeakPolarHBondContact OD1-CB 3.42Å; D422-R424 PolarHBondContact OD1-N 3.44Å; R424-Y428 VanDerWaalsContact O-CB 3.31Å; R424-Y428 WeakPolarHBondContact O-CB 3.34Å; R424-Y428 PolarHBondContact O-N 2.88Å |
| 425 | F | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.7 | -175.9 | -104 | 0 | 0 | 0 | 111.8 | I235 L238 F239 L370 F420 D422 Y428 Y429 L448 | I235-F425 HydrophobicContact CG2-CE2 4.01Å; I235-F425 HydrophobicContact CG2-CZ 4.4Å; L238-F425 HydrophobicContact CB-CB 4.4Å; L238-F425 HydrophobicContact CB-CD2 3.82Å; F239-F425 HydrophobicContact CB-CD2 4.07Å; F239-F425 HydrophobicContact CB-CE2 3.78Å; F239-F425 HydrophobicContact CD2-CE2 4.29Å; F239-F425 HydrophobicContact CD2-CZ 4.27Å; F239-F425 HydrophobicContact CG-CE2 4.49Å; L370-F425 HydrophobicContact CD2-CD1 3.65Å; L370-F425 HydrophobicContact CD2-CE1 3.43Å; L370-F425 VanDerWaalsContact CD2-CE1 3.43Å; F420-F425 AromaticContact CD1-CE1 3.71Å; F420-F425 HydrophobicContact CD1-CE1 3.71Å; F420-F425 HydrophobicContact CD1-CZ 4.31Å; F420-F425 HydrophobicContact CE1-CE1 4.23Å; F420-F425 HydrophobicContact CE1-CZ 4.39Å; D422-F425 HydrophobicContact CB-CB 3.95Å; D422-F425 PolarHBondContact O-N 3.42Å; D422-F425 VanDerWaalsContact O-N 3.12Å; D422-F425 PolarHBondContact OD1-N 2.88Å; F425-Y428 PolarHBondContact O-N 3.5Å; F425-Y429 HydrophobicContact CZ-CD2 4.41Å; F425-Y429 WeakPolarHBondContact O-CB 3.32Å; F425-Y429 PolarHBondContact O-N 3.35Å; F425-L448 HydrophobicContact CZ-CD1 4.43Å |
| 426 | T | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | Y140 L370 F420 D422 H423 Y428 Y429 L430 | Y140-T426 HydrophobicContact CE2-CG2 4.27Å; Y140-T426 WeakPolarHBondContact OH-CB 3.46Å; Y140-T426 WeakPolarHBondContact OH-CG2 3.42Å; Y140-T426 PolarHBondContact OH-OG1 3.08Å; L370-T426 HydrophobicContact CD1-CG2 4.11Å; L370-T426 HydrophobicContact CD2-CG2 4.02Å; F420-T426 WeakPolarHBondContact O-CG2 3.24Å; D422-T426 WeakPolarHBondContact O-CG2 3.3Å; D422-T426 PolarHBondContact O-N 3.22Å; D422-T426 PolarHBondContact O-OG1 2.85Å; H423-T426 PolarHBondContact O-OG1 2.98Å; T426-Y428 VanDerWaalsContact C-N 3.31Å; T426-Y428 PolarHBondContact O-N 3.5Å; T426-Y429 PolarHBondContact O-N 3.33Å; T426-L430 WeakPolarHBondContact O-CB 3.44Å; T426-L430 VanDerWaalsContact O-CG 3.29Å; T426-L430 WeakPolarHBondContact O-CG 3.48Å; T426-L430 PolarHBondContact O-N 3.27Å |
| 427 | A | 95.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 22.4 Ų | 22.4 | 12% | 0.124 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H423 S431 | H423-A427 WeakPolarHBondContact O-CB 3.47Å; H423-A427 PolarHBondContact O-N 3.47Å; H423-A427 VanDerWaalsContact O-N 3.11Å; A427-S431 WeakPolarHBondContact O-CB 3.44Å; A427-S431 PolarHBondContact O-N 3.26Å; A427-S431 VanDerWaalsContact O-N 3.09Å |
| 428 | Y | 94.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 24.4 Ų | 24.4 | 11% | 0.11 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -51.5 | 175.4 | -179.7 | -104 | 0 | 0 | 0 | 111.8 | V231 N234 I235 L238 R424 F425 T426 L430 S431 L432 | V231-Y428 WeakPolarHBondContact CA-OH 3.32Å; N234-Y428 HydrophobicContact CB-CD1 4.34Å; N234-Y428 HydrophobicContact CB-CE1 3.52Å; N234-Y428 HydrophobicContact CB-CE2 4.09Å; N234-Y428 WeakPolarHBondContact CB-OH 2.96Å; N234-Y428 PolarHBondContact ND2-OH 3.36Å; I235-Y428 HydrophobicContact CG1-CD1 4.47Å; I235-Y428 HydrophobicContact CG1-CE1 4.11Å; L238-Y428 HydrophobicContact CD1-CD1 3.61Å; L238-Y428 HydrophobicContact CD1-CD2 4.18Å; L238-Y428 HydrophobicContact CD1-CG 3.4Å; R424-Y428 VanDerWaalsContact O-CB 3.31Å; R424-Y428 WeakPolarHBondContact O-CB 3.34Å; R424-Y428 PolarHBondContact O-N 2.88Å; F425-Y428 PolarHBondContact O-N 3.5Å; T426-Y428 VanDerWaalsContact C-N 3.31Å; T426-Y428 PolarHBondContact O-N 3.5Å; Y428-L430 VanDerWaalsContact C-N 3.32Å; Y428-L430 PolarHBondContact O-N 3.09Å; Y428-S431 WeakPolarHBondContact O-CB 3.26Å; Y428-S431 PolarHBondContact O-N 2.89Å; Y428-S431 PolarHBondContact O-OG 2.96Å; Y428-L432 HydrophobicContact CE1-CD2 4.03Å; Y428-L432 HydrophobicContact CE2-CD2 4.5Å; Y428-L432 PolarHBondContact O-N 2.77Å |
| 429 | Y | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | -177.8 | -159.4 | -79.7 | 0 | 0 | 0 | 111.1 | I235 L370 T371 F425 T426 S431 L432 R437 L447 | I235-Y429 HydrophobicContact CD1-CD2 4.15Å; I235-Y429 HydrophobicContact CD1-CE2 3.96Å; I235-Y429 HydrophobicContact CG1-CD2 4.33Å; L370-Y429 HydrophobicContact CD1-CD1 4.29Å; L370-Y429 HydrophobicContact CD1-CG 4.5Å; L370-Y429 HydrophobicContact CD2-CG 4.25Å; L370-Y429 HydrophobicContact CG-CD1 3.99Å; L370-Y429 HydrophobicContact CG-CG 4.14Å; T371-Y429 HydrophobicContact CG2-CD1 4.43Å; T371-Y429 HydrophobicContact CG2-CD2 4.42Å; T371-Y429 HydrophobicContact CG2-CE1 3.85Å; T371-Y429 HydrophobicContact CG2-CE2 3.84Å; F425-Y429 HydrophobicContact CZ-CD2 4.41Å; F425-Y429 WeakPolarHBondContact O-CB 3.32Å; F425-Y429 PolarHBondContact O-N 3.35Å; T426-Y429 PolarHBondContact O-N 3.33Å; Y429-S431 VanDerWaalsContact C-N 3.26Å; Y429-S431 PolarHBondContact O-N 3.2Å; Y429-L432 HydrophobicContact CD2-CD1 4.35Å; Y429-L432 HydrophobicContact CG-CD1 4.39Å; Y429-L432 WeakPolarHBondContact O-CB 3.45Å; Y429-L432 WeakPolarHBondContact O-CG 3.26Å; Y429-L432 PolarHBondContact O-N 3.36Å; Y429-R437 HydrophobicContact CD1-CG 4.14Å; Y429-R437 HydrophobicContact CE1-CB 4.24Å; Y429-R437 HydrophobicContact CE1-CG 3.65Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.47Å; Y429-L447 HydrophobicContact CE2-CD2 4.31Å |
| 430 | L | 96.8 | Very high | 96.3 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.12 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.2 | -21.2 | 177.4 | -67.7 | 173.9 | 0 | 0 | 0 | 113.9 | C207 L370 L394 T426 Y428 L432 | C207-L430 HydrophobicContact CB-CD1 4.24Å; C207-L430 WeakPolarHBondContact O-CD1 3.2Å; L370-L430 HydrophobicContact CD1-CD1 4.28Å; L370-L430 HydrophobicContact CD1-CD2 3.91Å; L370-L430 HydrophobicContact CD1-CG 3.74Å; L394-L430 HydrophobicContact CD1-CD1 3.75Å; L394-L430 HydrophobicContact CD1-CD2 4.12Å; L394-L430 HydrophobicContact CD1-CG 4.4Å; T426-L430 WeakPolarHBondContact O-CB 3.44Å; T426-L430 VanDerWaalsContact O-CG 3.29Å; T426-L430 WeakPolarHBondContact O-CG 3.48Å; T426-L430 PolarHBondContact O-N 3.27Å; Y428-L430 VanDerWaalsContact C-N 3.32Å; Y428-L430 PolarHBondContact O-N 3.09Å; L430-L432 VanDerWaalsContact C-N 3.3Å |
| 431 | S | 94.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -76.8 | -15.8 | 174.5 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | A427 Y428 Y429 | A427-S431 WeakPolarHBondContact O-CB 3.44Å; A427-S431 PolarHBondContact O-N 3.26Å; A427-S431 VanDerWaalsContact O-N 3.09Å; Y428-S431 WeakPolarHBondContact O-CB 3.26Å; Y428-S431 PolarHBondContact O-N 2.89Å; Y428-S431 PolarHBondContact O-OG 2.96Å; Y429-S431 VanDerWaalsContact C-N 3.26Å; Y429-S431 PolarHBondContact O-N 3.2Å |
| 432 | L | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.3 | 147.5 | 178.6 | -60.2 | 176.7 | 0 | 0 | 0 | 111 | F226 V231 I235 Y428 Y429 L430 E434 R437 L447 | F226-L432 HydrophobicContact CD1-CD2 3.75Å; F226-L432 HydrophobicContact CE1-CD2 3.84Å; V231-L432 HydrophobicContact CB-CD2 4.47Å; V231-L432 HydrophobicContact CG1-CD1 3.81Å; V231-L432 HydrophobicContact CG1-CD2 3.75Å; V231-L432 HydrophobicContact CG1-CG 4.47Å; V231-L432 HydrophobicContact CG2-CD2 3.9Å; I235-L432 HydrophobicContact CD1-CD1 4.4Å; Y428-L432 HydrophobicContact CE1-CD2 4.03Å; Y428-L432 HydrophobicContact CE2-CD2 4.5Å; Y428-L432 PolarHBondContact O-N 2.77Å; Y429-L432 HydrophobicContact CD2-CD1 4.35Å; Y429-L432 HydrophobicContact CG-CD1 4.39Å; Y429-L432 WeakPolarHBondContact O-CB 3.45Å; Y429-L432 WeakPolarHBondContact O-CG 3.26Å; Y429-L432 PolarHBondContact O-N 3.36Å; L430-L432 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 3.36Å; L432-R437 HydrophobicContact CB-CG 4.26Å; L432-R437 PolarHBondContact O-NE 2.93Å; L432-L447 HydrophobicContact CD1-CD2 3.61Å |
| 433 | P | 96.7 | Very high | 95 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 31% | 0.312 | 23% | 0.233 | S | C | . | . | trans | -47.5 | 136.1 | 170.2 | -26.1 | 33.6 | 0 | 0 | 0 | 111.2 | F226 E435 M436 | F226-P433 HydrophobicContact CG-CG 4.35Å; P433-E435 PolarHBondContact O-N 3.21Å; P433-M436 HydrophobicContact CB-CG 4.15Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.02Å; P433-M436 WeakPolarHBondContact O-CB 3.37Å; P433-M436 PolarHBondContact O-N 3.27Å | ||
| 434 | E | 97.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | -170.6 | -59.7 | 179 | 156.3 | 0 | 0 | 111.1 | A383 K384 A387 L432 M436 R437 T438 | A383-E434 HydrophobicContact CB-CB 3.87Å; K384-E434 WeakPolarHBondContact CA-OE2 3.27Å; K384-E434 WeakPolarHBondContact CB-OE2 3.28Å; K384-E434 WeakPolarHBondContact CD-OE1 3.47Å; K384-E434 WeakPolarHBondContact CD-OE2 3.41Å; K384-E434 PolarHBondContact N-OE2 3.13Å; K384-E434 IonicContact NZ-OE1 3.49Å; A387-E434 HydrophobicContact CB-CB 4.27Å; A387-E434 HydrophobicContact CB-CG 3.86Å; L432-E434 PolarHBondContact O-N 3.36Å; E434-M436 VanDerWaalsContact C-N 3.29Å; E434-M436 PolarHBondContact O-N 2.91Å; E434-R437 PolarHBondContact O-N 2.99Å; E434-R437 VanDerWaalsContact O-N 3.08Å; E434-T438 PolarHBondContact O-N 2.82Å |
| 435 | E | 97.1 | Very high | 95.1 | Very high | 129 Ų | 129 | 40 Ų | 40 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.2 | -29.9 | 177.8 | -58.8 | 79.3 | -173.9 | 0 | 0 | 112.8 | A383 P433 R437 T438 | A383-E435 HydrophobicContact CB-CG 4.13Å; P433-E435 PolarHBondContact O-N 3.21Å; E435-R437 PolarHBondContact O-N 2.93Å; E435-T438 PolarHBondContact O-OG1 3.19Å |
| 436 | M | 96.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.8 | -21.2 | 176.1 | -66 | -173 | 76.4 | 0 | 0 | 112.2 | V231 P433 E434 L447 | V231-M436 HydrophobicContact CB-CE 4.24Å; V231-M436 HydrophobicContact CG1-CE 4.24Å; V231-M436 HydrophobicContact CG2-CE 3.98Å; P433-M436 HydrophobicContact CB-CG 4.15Å; P433-M436 HydrophobicContact CB-SD 4.41Å; P433-M436 HydrophobicContact CG-CG 4.41Å; P433-M436 HydrophobicContact CG-SD 4.02Å; P433-M436 WeakPolarHBondContact O-CB 3.37Å; P433-M436 PolarHBondContact O-N 3.27Å; E434-M436 VanDerWaalsContact C-N 3.29Å; E434-M436 PolarHBondContact O-N 2.91Å; M436-L447 HydrophobicContact CB-CD2 4.43Å |
| 437 | R | 96.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -93 | -17.1 | -177.4 | -63.9 | -172.2 | -83.7 | 144 | -4.5 | 113.4 | Y429 L432 E434 E435 | Y429-R437 HydrophobicContact CD1-CG 4.14Å; Y429-R437 HydrophobicContact CE1-CB 4.24Å; Y429-R437 HydrophobicContact CE1-CG 3.65Å; Y429-R437 VanDerWaalsContact O-CD 3.3Å; Y429-R437 WeakPolarHBondContact O-CD 3.47Å; L432-R437 HydrophobicContact CB-CG 4.26Å; L432-R437 PolarHBondContact O-NE 2.93Å; E434-R437 PolarHBondContact O-N 2.99Å; E434-R437 VanDerWaalsContact O-N 3.08Å; E435-R437 PolarHBondContact O-N 2.93Å |
| 438 | T | 96.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.9 | 147.9 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | A383 E434 E435 K440 | A383-T438 HydrophobicContact CB-CG2 3.57Å; E434-T438 PolarHBondContact O-N 2.82Å; E435-T438 PolarHBondContact O-OG1 3.19Å; T438-K440 PolarHBondContact O-N 3.3Å |
| 439 | P | 94.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | trans | -51.6 | 139.3 | 168.3 | -25.7 | 34.5 | 0 | 0 | 0 | 111.6 | F377 H378 V443 | F377-P439 HydrophobicContact CB-CG 4.03Å; H378-P439 VanDerWaalsContact CE1-CB 3.48Å; H378-P439 WeakPolarHBondContact CE1-CB 3.19Å; H378-P439 WeakPolarHBondContact ND1-CB 3.42Å; P439-V443 WeakPolarHBondContact CA-O 3.43Å | ||
| 440 | K | 92.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 41.5 Ų | 41.5 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -134.2 | 143.6 | -175.4 | -171 | -176.9 | 171.8 | -175.9 | 0 | 109.9 | T438 G442 V443 H446 | T438-K440 PolarHBondContact O-N 3.3Å; K440-G442 PolarHBondContact O-N 3.49Å; K440-V443 PolarHBondContact N-O 3.39Å; K440-V443 VanDerWaalsContact N-O 3.13Å; K440-V443 PolarHBondContact O-N 2.74Å; K440-H446 HydrophobicContact CB-CB 3.97Å |
| 441 | D | 89.2 | Confident | 95.5 | Very high | 130 Ų | 130 | 40.4 Ų | 40.4 | 70% | 0.695 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36 | 177 | -55.6 | -36.3 | 0 | 0 | 0 | 113.6 | V443 | D441-V443 PolarHBondContact O-N 3.18Š|
| 442 | G | 85.8 | Confident | 95.7 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 65% | 0.649 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 7.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K440 | K440-G442 PolarHBondContact O-N 3.49Š|
| 443 | V | 92.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -118.1 | 125.4 | -176.3 | -179.1 | 0 | 0 | 0 | 0 | 111 | P439 K440 D441 W464 | P439-V443 WeakPolarHBondContact CA-O 3.43Å; K440-V443 PolarHBondContact N-O 3.39Å; K440-V443 VanDerWaalsContact N-O 3.13Å; K440-V443 PolarHBondContact O-N 2.74Å; D441-V443 PolarHBondContact O-N 3.18Å; V443-W464 HydrophobicContact CG1-CE3 4.19Å; V443-W464 HydrophobicContact CG1-CZ3 4.33Å |
| 444 | E | 95.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 153.3 | 170.3 | 73.7 | -69 | 163.9 | 0 | 0 | 111.8 | G373 H378 H446 R449 K467 | G373-E444 WeakPolarHBondContact O-CG 3.48Å; H378-E444 IonicContact NE2-OE2 3.59Å; E444-H446 PolarHBondContact O-N 2.87Å; E444-H446 VanDerWaalsContact O-N 3.14Å; E444-R449 PolarHBondContact O-NE 3.42Å; E444-R449 IonicContact OE1-CZ 2.7Å; E444-R449 IonicContact OE1-NH2 2.8Å; E444-R449 PolarHBondContact OE1-NH2 2.92Å; E444-K467 HydrophobicContact CG-CB 4.16Å; E444-K467 WeakPolarHBondContact OE1-CB 3.48Å; E444-K467 PolarHBondContact OE1-N 2.82Å |
| 445 | K | 97.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 27.9 | 179.8 | -44.2 | -177.1 | 177.6 | -175.2 | 0 | 113.9 | L261 D262 S367 D368 T371 L447 L448 R449 | L261-K445 HydrophobicContact CD2-CB 4.14Å; L261-K445 HydrophobicContact CD2-CD 3.86Å; D262-K445 IonicContact OD1-NZ 2.87Å; D262-K445 PolarHBondContact OD1-NZ 2.89Å; D262-K445 IonicContact OD2-NZ 2.64Å; D262-K445 PolarHBondContact OD2-NZ 3.3Å; S367-K445 PolarHBondContact OG-NZ 2.58Å; D368-K445 WeakPolarHBondContact OD1-CE 3.34Å; D368-K445 IonicContact OD1-NZ 2.78Å; D368-K445 PolarHBondContact OD1-NZ 2.8Å; D368-K445 IonicContact OD2-NZ 2.98Å; D368-K445 PolarHBondContact OD2-NZ 3.35Å; T371-K445 WeakPolarHBondContact OG1-CD 3.5Å; T371-K445 VanDerWaalsContact OG1-CG 3.28Å; T371-K445 WeakPolarHBondContact OG1-CG 3.25Å; K445-L447 VanDerWaalsContact C-N 3.29Å; K445-L447 PolarHBondContact O-N 2.93Å; K445-L448 HydrophobicContact CB-CB 4.21Å; K445-L448 HydrophobicContact CD-CD2 4.39Å; K445-L448 WeakPolarHBondContact O-CB 3.32Å; K445-L448 PolarHBondContact O-N 2.97Å; K445-R449 WeakPolarHBondContact O-CG 3.39Å; K445-R449 PolarHBondContact O-N 3.12Å |
| 446 | H | 97.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 17% | 0.167 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.5 | -45.8 | -174 | -177.4 | -69.6 | 0 | 0 | 0 | 112.3 | K440 E444 L448 R449 D450 W464 | K440-H446 HydrophobicContact CB-CB 3.97Å; E444-H446 PolarHBondContact O-N 2.87Å; E444-H446 VanDerWaalsContact O-N 3.14Å; H446-L448 VanDerWaalsContact C-N 3.34Å; H446-L448 PolarHBondContact O-N 3.41Å; H446-R449 PolarHBondContact O-N 3.28Å; H446-D450 WeakPolarHBondContact O-CB 3.39Å; H446-D450 PolarHBondContact O-N 2.8Å; H446-W464 AromaticContact CD2-CZ3 3.93Å; H446-W464 AromaticContact NE2-CH2 3.98Å |
| 447 | L | 97.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 178.4 | 179.1 | 62.8 | 0 | 0 | 0 | 112.7 | V231 K232 I235 Y429 L432 M436 K445 S451 | V231-L447 HydrophobicContact CG1-CD1 4.15Å; V231-L447 HydrophobicContact CG1-CD2 4.11Å; K232-L447 HydrophobicContact CG-CD1 4.35Å; I235-L447 HydrophobicContact CD1-CD1 4.3Å; I235-L447 HydrophobicContact CD1-CD2 3.85Å; I235-L447 HydrophobicContact CD1-CG 3.77Å; Y429-L447 HydrophobicContact CE2-CD2 4.31Å; L432-L447 HydrophobicContact CD1-CD2 3.61Å; M436-L447 HydrophobicContact CB-CD2 4.43Å; K445-L447 VanDerWaalsContact C-N 3.29Å; K445-L447 PolarHBondContact O-N 2.93Å; L447-S451 WeakPolarHBondContact O-CB 3.4Å; L447-S451 PolarHBondContact O-N 3.31Å; L447-S451 PolarHBondContact O-OG 2.89Å |
| 448 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.5 | -177.4 | 67 | 0 | 0 | 0 | 110.4 | I235 L261 L265 T371 F420 F425 K445 H446 S451 F452 | I235-L448 HydrophobicContact CG2-CD1 4.18Å; L261-L448 HydrophobicContact CD2-CD2 4.06Å; L265-L448 HydrophobicContact CD1-CD1 4.41Å; L265-L448 HydrophobicContact CD1-CD2 4.16Å; L265-L448 HydrophobicContact CD1-CG 4.08Å; T371-L448 HydrophobicContact CG2-CD2 4.27Å; F420-L448 HydrophobicContact CE1-CD1 4.21Å; F420-L448 HydrophobicContact CE1-CD2 3.85Å; F420-L448 HydrophobicContact CZ-CD2 4.14Å; F425-L448 HydrophobicContact CZ-CD1 4.43Å; K445-L448 HydrophobicContact CB-CB 4.21Å; K445-L448 HydrophobicContact CD-CD2 4.39Å; K445-L448 WeakPolarHBondContact O-CB 3.32Å; K445-L448 PolarHBondContact O-N 2.97Å; H446-L448 VanDerWaalsContact C-N 3.34Å; H446-L448 PolarHBondContact O-N 3.41Å; L448-S451 WeakPolarHBondContact O-CB 3.37Å; L448-S451 PolarHBondContact O-N 3.24Å; L448-F452 HydrophobicContact CD1-CD2 4.44Å; L448-F452 HydrophobicContact CD1-CE2 3.85Å; L448-F452 VanDerWaalsContact O-CD2 3.27Å; L448-F452 WeakPolarHBondContact O-CD2 3.4Å |
| 449 | R | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 178.1 | -62.7 | 173.3 | -174.1 | -88 | 7.3 | 111.4 | L261 E444 K445 H446 S451 F452 K453 L463 W464 R465 | L261-R449 HydrophobicContact CD1-CG 4.12Å; L261-R449 HydrophobicContact CD2-CG 3.53Å; L261-R449 HydrophobicContact CG-CG 4.48Å; E444-R449 PolarHBondContact O-NE 3.42Å; E444-R449 IonicContact OE1-CZ 2.7Å; E444-R449 IonicContact OE1-NH2 2.8Å; E444-R449 PolarHBondContact OE1-NH2 2.92Å; K445-R449 WeakPolarHBondContact O-CG 3.39Å; K445-R449 PolarHBondContact O-N 3.12Å; H446-R449 PolarHBondContact O-N 3.28Å; R449-S451 PolarHBondContact O-N 3.27Å; R449-F452 PolarHBondContact O-N 3.09Å; R449-K453 PolarHBondContact O-N 3.09Å; R449-L463 HydrophobicContact CB-CD1 4.32Å; R449-L463 HydrophobicContact CB-CG 4.5Å; R449-L463 WeakPolarHBondContact CD-O 3.45Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.2Å; R449-L463 PolarHBondContact NH1-O 3.43Å; R449-W464 HydrophobicContact CB-CE3 4.21Å; R449-W464 HydrophobicContact CB-CH2 3.89Å; R449-W464 HydrophobicContact CB-CZ2 4.25Å; R449-W464 HydrophobicContact CB-CZ3 3.87Å; R449-R465 VanDerWaalsContact CZ-O 3.28Å; R449-R465 PolarHBondContact NH1-O 3.07Å; R449-R465 PolarHBondContact NH2-O 3.29Å |
| 450 | D | 97.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -30.5 | -179.9 | -161.9 | 59.1 | 0 | 0 | 0 | 112.2 | K232 H446 F452 K453 W464 | K232-D450 HydrophobicContact CD-CB 4.34Å; K232-D450 WeakPolarHBondContact CD-OD2 3.48Å; K232-D450 IonicContact NZ-OD2 2.9Å; K232-D450 PolarHBondContact NZ-OD2 3.21Å; H446-D450 WeakPolarHBondContact O-CB 3.39Å; H446-D450 PolarHBondContact O-N 2.8Å; D450-F452 PolarHBondContact O-N 3.26Å; D450-K453 WeakPolarHBondContact O-CB 3.45Å; D450-K453 PolarHBondContact O-N 3.45Å; D450-K453 VanDerWaalsContact OD1-CD 3.25Å; D450-K453 WeakPolarHBondContact OD1-CD 3.46Å; D450-W464 HydrophobicContact CB-CH2 4.47Å |
| 451 | S | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -24.5 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | I235 R236 L447 L448 R449 | I235-S451 WeakPolarHBondContact CD1-OG 3.47Å; R236-S451 WeakPolarHBondContact CD-O 3.24Å; R236-S451 VanDerWaalsContact CG-O 3.31Å; R236-S451 WeakPolarHBondContact CG-O 3.38Å; R236-S451 PolarHBondContact NH1-O 3.13Å; L447-S451 WeakPolarHBondContact O-CB 3.4Å; L447-S451 PolarHBondContact O-N 3.31Å; L447-S451 PolarHBondContact O-OG 2.89Å; L448-S451 WeakPolarHBondContact O-CB 3.37Å; L448-S451 PolarHBondContact O-N 3.24Å; R449-S451 PolarHBondContact O-N 3.27Å |
| 452 | F | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -109.8 | 1.5 | 178.6 | -65.9 | -80.2 | 0 | 0 | 0 | 114.1 | I235 R236 F239 L265 M269 L448 R449 D450 L455 L457 L463 | I235-F452 HydrophobicContact CG2-CE2 4.46Å; R236-F452 HydrophobicContact CG-CD1 4.19Å; R236-F452 HydrophobicContact CG-CE1 3.91Å; R236-F452 HydrophobicContact CG-CZ 4.29Å; F239-F452 HydrophobicContact CB-CZ 4.25Å; F239-F452 HydrophobicContact CD1-CE1 4.28Å; F239-F452 AromaticContact CD1-CZ 3.67Å; F239-F452 HydrophobicContact CD1-CZ 3.67Å; F239-F452 HydrophobicContact CE1-CZ 4.33Å; F239-F452 HydrophobicContact CG-CZ 4.16Å; L265-F452 HydrophobicContact CD1-CD2 3.78Å; L265-F452 HydrophobicContact CD1-CE2 3.89Å; L265-F452 HydrophobicContact CD2-CB 4Å; L265-F452 HydrophobicContact CD2-CD1 4.1Å; L265-F452 HydrophobicContact CD2-CD2 3.69Å; L265-F452 HydrophobicContact CD2-CE2 4.19Å; L265-F452 HydrophobicContact CD2-CG 3.66Å; L265-F452 HydrophobicContact CG-CD2 4.4Å; M269-F452 HydrophobicContact CE-CE1 4.11Å; L448-F452 HydrophobicContact CD1-CD2 4.44Å; L448-F452 HydrophobicContact CD1-CE2 3.85Å; L448-F452 VanDerWaalsContact O-CD2 3.27Å; L448-F452 WeakPolarHBondContact O-CD2 3.4Å; R449-F452 PolarHBondContact O-N 3.09Å; D450-F452 PolarHBondContact O-N 3.26Å; F452-L455 HydrophobicContact CD1-CD1 4.4Å; F452-L455 PolarHBondContact O-N 2.99Å; F452-L457 HydrophobicContact CD1-CD2 3.69Å; F452-L457 HydrophobicContact CE1-CD2 3.98Å; F452-L463 HydrophobicContact CB-CD1 4.14Å |
| 453 | K | 97.1 | Very high | 96.7 | Very high | 122 Ų | 122 | 37.5 Ų | 37.5 | 53% | 0.53 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 136.5 | 179.2 | -174.9 | -175.8 | -175.9 | 174.4 | 0 | 111.6 | R449 D450 L455 L463 W464 | R449-K453 PolarHBondContact O-N 3.09Å; D450-K453 WeakPolarHBondContact O-CB 3.45Å; D450-K453 PolarHBondContact O-N 3.45Å; D450-K453 VanDerWaalsContact OD1-CD 3.25Å; D450-K453 WeakPolarHBondContact OD1-CD 3.46Å; K453-L455 PolarHBondContact O-N 2.9Å; K453-L463 HydrophobicContact CB-CD2 4.28Å; K453-W464 HydrophobicContact CD-CZ2 4.16Å |
| 454 | G | 95.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 1.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 455 | L | 95.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 48% | 0.482 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -88.6 | -7.2 | 177.4 | -60.3 | -173.5 | 0 | 0 | 0 | 113.9 | R236 F452 K453 L457 | R236-L455 HydrophobicContact CG-CD1 4.47Å; F452-L455 HydrophobicContact CD1-CD1 4.4Å; F452-L455 PolarHBondContact O-N 2.99Å; K453-L455 PolarHBondContact O-N 2.9Å; L455-L457 PolarHBondContact O-N 2.99Å; L455-L457 VanDerWaalsContact O-N 3.11Å |
| 456 | N | 96.1 | Very high | 96.2 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | trans | 54.1 | 28.2 | -177 | -162.8 | 43.1 | 0 | 0 | 0 | 113.5 | H305 | H305-N456 PolarHBondContact CE1-OD1 3.44Å; H305-N456 VanDerWaalsContact CE1-OD1 3.27Å; H305-N456 PolarHBondContact NE2-O 2.91Å | ||
| 457 | L | 97 | Very high | 95.5 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -70.5 | -37.9 | -179.1 | -174.8 | 62.8 | 0 | 0 | 0 | 111.2 | L265 A268 M269 F452 L455 | L265-L457 HydrophobicContact CD2-CD2 4.15Å; A268-L457 HydrophobicContact CB-CD1 3.76Å; A268-L457 HydrophobicContact CB-CD2 4.44Å; A268-L457 HydrophobicContact CB-CG 3.66Å; A268-L457 VanDerWaalsContact CB-O 3.29Å; A268-L457 WeakPolarHBondContact CB-O 3.5Å; M269-L457 HydrophobicContact CE-CD2 4.09Å; F452-L457 HydrophobicContact CD1-CD2 3.69Å; F452-L457 HydrophobicContact CE1-CD2 3.98Å; L455-L457 PolarHBondContact O-N 2.99Å; L455-L457 VanDerWaalsContact O-N 3.11Å |
| 458 | I | 98.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -137.4 | 162.1 | 173 | 56.9 | 172.5 | 0 | 0 | 0 | 108.6 | L261 S264 L265 A268 V302 I462 L463 | L261-I458 HydrophobicContact CD1-CD1 4.14Å; S264-I458 WeakPolarHBondContact O-CG2 3.15Å; L265-I458 HydrophobicContact CD2-CD1 3.95Å; L265-I458 HydrophobicContact CD2-CG1 4.4Å; L265-I458 HydrophobicContact CG-CD1 4.26Å; A268-I458 HydrophobicContact CB-CG2 3.6Å; V302-I458 HydrophobicContact CG1-CG2 4.4Å; I458-I462 HydrophobicContact CD1-CG2 4.22Å; I458-L463 HydrophobicContact CD1-CB 4.09Å; I458-L463 HydrophobicContact CD1-CD1 3.99Å; I458-L463 HydrophobicContact CG1-CB 4.19Å; I458-L463 HydrophobicContact CG1-CD1 4.33Å |
| 459 | P | 97.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | trans | -57.9 | 139.5 | 175.9 | -23.7 | 33.9 | 0 | 0 | 0 | 112 | H305 E461 I462 L463 | H305-P459 HydrophobicContact CB-CG 3.75Å; P459-E461 HydrophobicContact CB-CG 4.07Å; P459-E461 PolarHBondContact O-N 2.92Å; P459-I462 HydrophobicContact CB-CG1 4.08Å; P459-I462 HydrophobicContact CG-CG1 4.22Å; P459-I462 WeakPolarHBondContact O-CA 3.4Å; P459-I462 WeakPolarHBondContact O-CB 3.43Å; P459-I462 PolarHBondContact O-N 3.09Å; P459-L463 PolarHBondContact O-N 3.45Å | ||
| 460 | D | 96.1 | Very high | 92.3 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -35.5 | -178.9 | -83.9 | -20 | 0 | 0 | 0 | 112.4 | I462 L463 W464 | D460-I462 PolarHBondContact O-N 2.94Å; D460-L463 PolarHBondContact O-N 3.23Å; D460-W464 PolarHBondContact O-N 2.66Å; D460-W464 VanDerWaalsContact O-N 3.08Å |
| 461 | E | 95.3 | Very high | 90.8 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -29.7 | 175.4 | 62.5 | 174.2 | 177 | 0 | 0 | 112.9 | K301 P459 R465 | K301-E461 VanDerWaalsContact CD-OE1 3.27Å; K301-E461 WeakPolarHBondContact CD-OE1 3.41Å; K301-E461 WeakPolarHBondContact CE-OE1 3.48Å; K301-E461 IonicContact NZ-OE1 3.9Å; K301-E461 PolarHBondContact NZ-OE1 2.73Å; K301-E461 IonicContact NZ-OE2 3.98Å; K301-E461 PolarHBondContact NZ-OE2 3.23Å; P459-E461 HydrophobicContact CB-CG 4.07Å; P459-E461 PolarHBondContact O-N 2.92Å; E461-R465 WeakPolarHBondContact O-CB 3.34Å; E461-R465 PolarHBondContact O-N 3.32Å; E461-R465 VanDerWaalsContact O-N 3.13Å |
| 462 | I | 96.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.1 | -40.3 | 175.6 | -57.7 | -69.4 | 0 | 0 | 0 | 110 | G259 A298 V302 I458 P459 D460 W464 R465 | G259-I462 WeakPolarHBondContact O-CG2 3.27Å; A298-I462 HydrophobicContact CB-CD1 3.85Å; V302-I462 HydrophobicContact CG2-CB 4.2Å; V302-I462 HydrophobicContact CG2-CD1 4.13Å; V302-I462 HydrophobicContact CG2-CG1 3.75Å; V302-I462 HydrophobicContact CG2-CG2 3.77Å; I458-I462 HydrophobicContact CD1-CG2 4.22Å; P459-I462 HydrophobicContact CB-CG1 4.08Å; P459-I462 HydrophobicContact CG-CG1 4.22Å; P459-I462 WeakPolarHBondContact O-CA 3.4Å; P459-I462 WeakPolarHBondContact O-CB 3.43Å; P459-I462 PolarHBondContact O-N 3.09Å; D460-I462 PolarHBondContact O-N 2.94Å; I462-W464 PolarHBondContact O-N 3.4Å; I462-W464 VanDerWaalsContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.37Å; I462-R465 PolarHBondContact O-N 3.3Å; I462-R465 VanDerWaalsContact O-N 3.13Å |
| 463 | L | 96.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.4 | -29.6 | 176.9 | -175.3 | 63.6 | 0 | 0 | 0 | 112.4 | L261 R449 F452 K453 I458 P459 D460 | L261-L463 HydrophobicContact CD1-CD1 3.83Å; R449-L463 HydrophobicContact CB-CD1 4.32Å; R449-L463 HydrophobicContact CB-CG 4.5Å; R449-L463 WeakPolarHBondContact CD-O 3.45Å; R449-L463 VanDerWaalsContact CG-O 3.27Å; R449-L463 WeakPolarHBondContact CG-O 3.2Å; R449-L463 PolarHBondContact NH1-O 3.43Å; F452-L463 HydrophobicContact CB-CD1 4.14Å; K453-L463 HydrophobicContact CB-CD2 4.28Å; I458-L463 HydrophobicContact CD1-CB 4.09Å; I458-L463 HydrophobicContact CD1-CD1 3.99Å; I458-L463 HydrophobicContact CG1-CB 4.19Å; I458-L463 HydrophobicContact CG1-CD1 4.33Å; P459-L463 PolarHBondContact O-N 3.45Å; D460-L463 PolarHBondContact O-N 3.23Å |
| 464 | W | 95.6 | Very high | 87 | Confident | 82 Ų | 82 | 48.5 Ų | 48.5 | 31% | 0.311 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 8.4 | 178.5 | -61.9 | 101.7 | 0 | 0 | 0 | 114 | V443 H446 R449 D450 K453 D460 I462 R466 | V443-W464 HydrophobicContact CG1-CE3 4.19Å; V443-W464 HydrophobicContact CG1-CZ3 4.33Å; H446-W464 AromaticContact CD2-CZ3 3.93Å; H446-W464 AromaticContact NE2-CH2 3.98Å; R449-W464 HydrophobicContact CB-CE3 4.21Å; R449-W464 HydrophobicContact CB-CH2 3.89Å; R449-W464 HydrophobicContact CB-CZ2 4.25Å; R449-W464 HydrophobicContact CB-CZ3 3.87Å; D450-W464 HydrophobicContact CB-CH2 4.47Å; K453-W464 HydrophobicContact CD-CZ2 4.16Å; D460-W464 PolarHBondContact O-N 2.66Å; D460-W464 VanDerWaalsContact O-N 3.08Å; I462-W464 PolarHBondContact O-N 3.4Å; I462-W464 VanDerWaalsContact O-N 3.15Å; W464-R466 PolarHBondContact O-N 2.91Å |
| 465 | R | 91.4 | Very high | 85.9 | Confident | 55 Ų | 55 | 46 Ų | 46 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 129.8 | 174 | -178.4 | 177.2 | 166.3 | 111.9 | -5.4 | 110.2 | P294 D295 R449 E461 I462 E468 | P294-R465 PolarHBondContact O-NH2 2.79Å; D295-R465 IonicContact OD1-NH2 3.35Å; D295-R465 PolarHBondContact OD1-NH2 3.28Å; R449-R465 VanDerWaalsContact CZ-O 3.28Å; R449-R465 PolarHBondContact NH1-O 3.07Å; R449-R465 PolarHBondContact NH2-O 3.29Å; E461-R465 WeakPolarHBondContact O-CB 3.34Å; E461-R465 PolarHBondContact O-N 3.32Å; E461-R465 VanDerWaalsContact O-N 3.13Å; I462-R465 WeakPolarHBondContact O-CB 3.37Å; I462-R465 PolarHBondContact O-N 3.3Å; I462-R465 VanDerWaalsContact O-N 3.13Å; R465-E468 IonicContact CZ-OE1 3.97Å; R465-E468 IonicContact CZ-OE2 3.37Å; R465-E468 IonicContact NE-OE1 3.96Å; R465-E468 IonicContact NH2-OE1 3.12Å; R465-E468 PolarHBondContact NH2-OE1 3.12Å; R465-E468 IonicContact NH2-OE2 3.61Å; R465-E468 PolarHBondContact NH2-OE2 3.01Å |
| 466 | R | 86.7 | Confident | 84.4 | Confident | 106 Ų | 106 | 42.4 Ų | 42.4 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -61 | 146.2 | 175 | -173.1 | 176.6 | -177.5 | -167.6 | -0.8 | 111.3 | L375 W464 E468 I554 | L375-R466 HydrophobicContact CD2-CG 4.5Å; W464-R466 PolarHBondContact O-N 2.91Å; R466-E468 PolarHBondContact O-N 2.63Å; R466-I554 PolarHBondContact NH2-O 3.37Å |
| 467 | K | 81.8 | Confident | 82.8 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 126.6 | 177.8 | -175.4 | 66.2 | 170.8 | 76.4 | 0 | 112.3 | D368 L375 E444 | D368-K467 WeakPolarHBondContact OD1-CE 3.41Å; D368-K467 WeakPolarHBondContact OD2-CE 3.27Å; D368-K467 IonicContact OD2-NZ 3.37Å; L375-K467 HydrophobicContact CD2-CB 4.22Å; E444-K467 HydrophobicContact CG-CB 4.16Å; E444-K467 WeakPolarHBondContact OE1-CB 3.48Å; E444-K467 PolarHBondContact OE1-N 2.82Å |
| 468 | E | 78.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | trans | -113.1 | 142.2 | 164.7 | -71.6 | 179.9 | -153 | 0 | 0 | 109.7 | P294 R465 R466 | P294-E468 WeakPolarHBondContact CG-OE2 3.39Å; R465-E468 IonicContact CZ-OE1 3.97Å; R465-E468 IonicContact CZ-OE2 3.37Å; R465-E468 IonicContact NE-OE1 3.96Å; R465-E468 IonicContact NH2-OE1 3.12Å; R465-E468 PolarHBondContact NH2-OE1 3.12Å; R465-E468 IonicContact NH2-OE2 3.61Å; R465-E468 PolarHBondContact NH2-OE2 3.01Å; R466-E468 PolarHBondContact O-N 2.63Å | ||
| 469 | A | 73.9 | Confident | 79.6 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -78.9 | 141.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S471 D472 G473 A549 | A469-S471 PolarHBondContact O-N 2.85Å; A469-D472 HydrophobicContact CB-CB 4.42Å; A469-D472 WeakPolarHBondContact O-CB 3.39Å; A469-D472 PolarHBondContact O-N 2.81Å; A469-G473 PolarHBondContact O-N 2.9Å; A469-G473 VanDerWaalsContact O-N 3.07Å; A469-A549 HydrophobicContact CB-CB 3.67Å | ||
| 470 | F | 74.6 | Confident | 78.3 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.1 | -45.4 | -172.4 | -177.8 | -102 | 0 | 0 | 0 | 113.3 | I288 A341 M345 D472 M474 | I288-F470 HydrophobicContact CG2-CZ 3.95Å; A341-F470 HydrophobicContact CB-CD1 4.14Å; A341-F470 WeakPolarHBondContact O-CD1 3.47Å; A341-F470 VanDerWaalsContact O-CE1 3.24Å; A341-F470 WeakPolarHBondContact O-CE1 3.31Å; M345-F470 HydrophobicContact CB-CE1 4.42Å; F470-D472 PolarHBondContact O-N 2.95Å; F470-D472 VanDerWaalsContact O-N 3.15Å; F470-M474 HydrophobicContact CD1-CE 3.94Å; F470-M474 HydrophobicContact CD1-SD 4.36Å; F470-M474 HydrophobicContact CE1-CE 3.75Å; F470-M474 HydrophobicContact CE1-SD 3.73Å; F470-M474 HydrophobicContact CZ-CE 4.48Å; F470-M474 HydrophobicContact CZ-SD 3.88Å; F470-M474 WeakPolarHBondContact O-CG 3.36Å |
| 471 | S | 67.4 | Low | 77.2 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -20.2 | 177.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | A469 | A469-S471 PolarHBondContact O-N 2.85Å |
| 472 | D | 70.1 | Confident | 76.2 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -95.9 | -37.8 | -173.8 | -67.6 | -25.7 | 0 | 0 | 0 | 112.8 | A469 F470 M474 A549 R550 | A469-D472 HydrophobicContact CB-CB 4.42Å; A469-D472 WeakPolarHBondContact O-CB 3.39Å; A469-D472 PolarHBondContact O-N 2.81Å; F470-D472 PolarHBondContact O-N 2.95Å; F470-D472 VanDerWaalsContact O-N 3.15Å; D472-M474 VanDerWaalsContact C-N 3.25Å; D472-M474 PolarHBondContact O-N 3.11Å; D472-A549 VanDerWaalsContact OD2-CB 3.25Å; D472-A549 WeakPolarHBondContact OD2-CB 3.46Å; D472-R550 PolarHBondContact O-NH2 3.07Å; D472-R550 VanDerWaalsContact O-NH2 3.1Å; D472-R550 WeakPolarHBondContact OD1-CD 3.39Å; D472-R550 VanDerWaalsContact OD1-CG 3.32Å; D472-R550 WeakPolarHBondContact OD1-CG 3.48Å; D472-R550 IonicContact OD1-CZ 2.82Å; D472-R550 IonicContact OD1-NE 2.89Å; D472-R550 PolarHBondContact OD1-NE 3.2Å; D472-R550 IonicContact OD1-NH2 3.46Å; D472-R550 WeakPolarHBondContact OD2-CG 3.19Å |
| 473 | G | 67.8 | Low | 75.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.5 | -11.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S293 D295 A469 M475 | S293-G473 WeakPolarHBondContact CB-O 3.48Å; S293-G473 PolarHBondContact OG-O 3.07Å; D295-G473 WeakPolarHBondContact CB-O 3.41Å; D295-G473 PolarHBondContact N-O 2.75Å; D295-G473 WeakPolarHBondContact OD2-CA 3.41Å; A469-G473 PolarHBondContact O-N 2.9Å; A469-G473 VanDerWaalsContact O-N 3.07Å; G473-M475 PolarHBondContact O-N 3.04Å |
| 474 | M | 74.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.6 | 178.2 | -74.8 | -168.1 | -70.7 | 0 | 0 | 115.3 | I288 G289 A290 G344 F470 D472 | I288-M474 HydrophobicContact CG2-SD 3.89Å; I288-M474 WeakPolarHBondContact O-CG 3.21Å; G289-M474 CarbonylContact C-O 3.59Å; G289-M474 WeakPolarHBondContact CA-O 3.46Å; A290-M474 PolarHBondContact N-O 3.07Å; G344-M474 VanDerWaalsContact CA-SD 3.6Å; F470-M474 HydrophobicContact CD1-CE 3.94Å; F470-M474 HydrophobicContact CD1-SD 4.36Å; F470-M474 HydrophobicContact CE1-CE 3.75Å; F470-M474 HydrophobicContact CE1-SD 3.73Å; F470-M474 HydrophobicContact CZ-CE 4.48Å; F470-M474 HydrophobicContact CZ-SD 3.88Å; F470-M474 WeakPolarHBondContact O-CG 3.36Å; D472-M474 VanDerWaalsContact C-N 3.25Å; D472-M474 PolarHBondContact O-N 3.11Å |
| 475 | M | 72.6 | Confident | 73.7 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -123 | 156.1 | -174 | -71.5 | -70.7 | -69.5 | 0 | 0 | 112.4 | F315 A317 G473 W481 Y484 | F315-M475 HydrophobicContact CD1-CG 4.3Å; F315-M475 HydrophobicContact CD1-SD 3.47Å; F315-M475 WeakPolarHBondContact CD1-SD 3.45Å; F315-M475 HydrophobicContact CE1-CG 4.12Å; F315-M475 HydrophobicContact CE1-SD 3.54Å; F315-M475 VanDerWaalsContact CE1-SD 3.54Å; A317-M475 HydrophobicContact CB-CE 4.18Å; G473-M475 PolarHBondContact O-N 3.04Å; M475-W481 HydrophobicContact CG-CB 3.72Å; M475-Y484 HydrophobicContact CE-CD2 4.2Å; M475-Y484 HydrophobicContact CE-CE2 4.16Å |
| 476 | S | 63.7 | Low | 73.2 | Confident | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | trans | -50.3 | 145.8 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | D292 K478 K479 | D292-S476 WeakPolarHBondContact OD1-CB 3.17Å; D292-S476 PolarHBondContact OD1-OG 3.23Å; D292-S476 VanDerWaalsContact OD2-CB 3.26Å; D292-S476 WeakPolarHBondContact OD2-CB 3.47Å; D292-S476 PolarHBondContact OD2-OG 3.02Å; S476-K478 PolarHBondContact O-N 2.96Å; S476-K478 VanDerWaalsContact O-N 3.12Å; S476-K478 PolarHBondContact OG-N 2.83Å; S476-K479 PolarHBondContact O-N 3.31Å | ||
| 477 | E | 62.2 | Low | 73 | Confident | 181 Ų | 181 | 50.1 Ų | 50.1 | 85% | 0.846 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.6 | 171.9 | -64.9 | -170.7 | 158.9 | 0 | 0 | 112.9 | ||
| 478 | K | 61 | Low | 73 | Confident | 189 Ų | 189 | 51.5 Ų | 51.5 | 82% | 0.822 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -37.8 | -175.3 | -65.6 | 175.6 | -176.4 | 165.9 | 0 | 113.8 | S476 | S476-K478 PolarHBondContact O-N 2.96Å; S476-K478 VanDerWaalsContact O-N 3.12Å; S476-K478 PolarHBondContact OG-N 2.83Å |
| 479 | K | 67.4 | Low | 73.3 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -156.3 | 122.1 | 176.9 | -168.3 | 169.9 | 172.5 | -179.8 | 0 | 111.1 | S476 N483 Y484 E487 | S476-K479 PolarHBondContact O-N 3.31Å; K479-N483 HydrophobicContact CG-CB 4.16Å; K479-Y484 HydrophobicContact CB-CE2 3.95Å; K479-Y484 HydrophobicContact CD-CD2 4.02Å; K479-Y484 HydrophobicContact CD-CE1 4.13Å; K479-Y484 HydrophobicContact CD-CE2 3.46Å; K479-Y484 VanDerWaalsContact CD-CE2 3.46Å; K479-Y484 HydrophobicContact CG-CD2 3.86Å; K479-Y484 HydrophobicContact CG-CE2 3.5Å; K479-E487 WeakPolarHBondContact CE-OE1 3.44Å; K479-E487 IonicContact NZ-OE1 3.46Å; K479-E487 PolarHBondContact NZ-OE1 2.93Å; K479-E487 IonicContact NZ-OE2 3.83Å; K479-E487 PolarHBondContact NZ-OE2 3.22Å |
| 480 | S | 69.6 | Low | 73.6 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | trans | -83.4 | 157.9 | -174.2 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | Y482 N483 Y484 R550 | S480-Y482 PolarHBondContact O-N 3.18Å; S480-N483 PolarHBondContact O-N 2.92Å; S480-N483 VanDerWaalsContact O-N 3.09Å; S480-N483 PolarHBondContact OG-N 2.87Å; S480-N483 PolarHBondContact OG-ND2 3.35Å; S480-N483 PolarHBondContact OG-OD1 3.4Å; S480-Y484 WeakPolarHBondContact O-CD2 3.29Å; S480-Y484 PolarHBondContact O-N 2.87Å; S480-R550 VanDerWaalsContact CB-NH2 3.3Å | ||
| 481 | W | 73.1 | Confident | 73.8 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.8 | -46.4 | 168.6 | 163.8 | -127.5 | 0 | 0 | 0 | 111.2 | F315 A317 V321 V324 V343 M475 N483 Y484 L485 | F315-W481 HydrophobicContact CE1-CB 4.48Å; F315-W481 HydrophobicContact CZ-CD2 4.27Å; F315-W481 HydrophobicContact CZ-CE3 4.21Å; A317-W481 HydrophobicContact CB-CE3 4.27Å; A317-W481 VanDerWaalsContact O-CZ3 3.28Å; A317-W481 WeakPolarHBondContact O-CZ3 3.16Å; V321-W481 HydrophobicContact CB-CH2 4.25Å; V321-W481 HydrophobicContact CB-CZ3 4.46Å; V321-W481 HydrophobicContact CG2-CH2 3.65Å; V321-W481 HydrophobicContact CG2-CZ3 3.57Å; V324-W481 HydrophobicContact CG2-CH2 4.36Å; V324-W481 HydrophobicContact CG2-CZ2 4.2Å; V343-W481 HydrophobicContact CG2-CZ2 4.49Å; M475-W481 HydrophobicContact CG-CB 3.72Å; W481-N483 VanDerWaalsContact C-N 3.33Å; W481-N483 PolarHBondContact O-N 2.95Å; W481-Y484 PolarHBondContact O-N 3.13Å; W481-L485 HydrophobicContact CH2-CB 4.25Å; W481-L485 HydrophobicContact CH2-CD1 4.05Å; W481-L485 HydrophobicContact CZ2-CB 4.29Å; W481-L485 HydrophobicContact CZ2-CD1 4.2Å; W481-L485 HydrophobicContact CZ2-CD2 4.08Å; W481-L485 HydrophobicContact CZ2-CG 4.42Å; W481-L485 HydrophobicContact CZ3-CB 4.47Å; W481-L485 WeakPolarHBondContact O-CB 3.39Å; W481-L485 PolarHBondContact O-N 3.4Å |
| 482 | Y | 75.4 | Confident | 74.6 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.4 | -46.6 | 175.3 | 171.3 | -100.5 | 0 | 0 | 0 | 112.5 | R340 S480 Y484 L485 Q486 | R340-Y482 VanDerWaalsContact NH2-CD2 3.34Å; S480-Y482 PolarHBondContact O-N 3.18Å; Y482-Y484 PolarHBondContact O-N 3.05Å; Y482-L485 PolarHBondContact O-N 3.23Å; Y482-Q486 HydrophobicContact CD1-CG 4.33Å; Y482-Q486 HydrophobicContact CD2-CG 4.29Å; Y482-Q486 HydrophobicContact CE1-CG 3.87Å; Y482-Q486 HydrophobicContact CE2-CG 3.84Å; Y482-Q486 VanDerWaalsContact CE2-NE2 3.29Å; Y482-Q486 WeakPolarHBondContact O-CG 3.28Å; Y482-Q486 PolarHBondContact O-N 2.72Å |
| 483 | N | 77.5 | Confident | 75.6 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | -179.4 | -65.4 | -10.4 | 0 | 0 | 0 | 111.9 | K479 S480 W481 L485 Q486 E487 | K479-N483 HydrophobicContact CG-CB 4.16Å; S480-N483 PolarHBondContact O-N 2.92Å; S480-N483 VanDerWaalsContact O-N 3.09Å; S480-N483 PolarHBondContact OG-N 2.87Å; S480-N483 PolarHBondContact OG-ND2 3.35Å; S480-N483 PolarHBondContact OG-OD1 3.4Å; W481-N483 VanDerWaalsContact C-N 3.33Å; W481-N483 PolarHBondContact O-N 2.95Å; N483-L485 VanDerWaalsContact C-N 3.3Å; N483-L485 PolarHBondContact O-N 3.06Å; N483-Q486 PolarHBondContact O-N 3.28Å; N483-E487 WeakPolarHBondContact O-CG 3.41Å; N483-E487 PolarHBondContact O-N 3.03Å |
| 484 | Y | 77.6 | Confident | 76.6 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 37% | 0.365 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.4 | -84.3 | -77 | 0 | 0 | 0 | 112 | A317 M475 K479 S480 W481 Y482 E487 H488 | A317-Y484 HydrophobicContact CB-CD1 3.97Å; A317-Y484 HydrophobicContact CB-CD2 3.56Å; A317-Y484 HydrophobicContact CB-CE1 4.41Å; A317-Y484 HydrophobicContact CB-CE2 4.06Å; A317-Y484 HydrophobicContact CB-CG 3.51Å; M475-Y484 HydrophobicContact CE-CD2 4.2Å; M475-Y484 HydrophobicContact CE-CE2 4.16Å; K479-Y484 HydrophobicContact CB-CE2 3.95Å; K479-Y484 HydrophobicContact CD-CD2 4.02Å; K479-Y484 HydrophobicContact CD-CE1 4.13Å; K479-Y484 HydrophobicContact CD-CE2 3.46Å; K479-Y484 VanDerWaalsContact CD-CE2 3.46Å; K479-Y484 HydrophobicContact CG-CD2 3.86Å; K479-Y484 HydrophobicContact CG-CE2 3.5Å; S480-Y484 WeakPolarHBondContact O-CD2 3.29Å; S480-Y484 PolarHBondContact O-N 2.87Å; W481-Y484 PolarHBondContact O-N 3.13Å; Y482-Y484 PolarHBondContact O-N 3.05Å; Y484-E487 PolarHBondContact O-N 2.84Å; Y484-H488 PolarHBondContact O-N 3.33Å |
| 485 | L | 80.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.2 | -175.3 | 63.4 | 0 | 0 | 0 | 111.1 | W481 Y482 N483 E487 H488 L489 E514 Y518 | W481-L485 HydrophobicContact CH2-CB 4.25Å; W481-L485 HydrophobicContact CH2-CD1 4.05Å; W481-L485 HydrophobicContact CZ2-CB 4.29Å; W481-L485 HydrophobicContact CZ2-CD1 4.2Å; W481-L485 HydrophobicContact CZ2-CD2 4.08Å; W481-L485 HydrophobicContact CZ2-CG 4.42Å; W481-L485 HydrophobicContact CZ3-CB 4.47Å; W481-L485 WeakPolarHBondContact O-CB 3.39Å; W481-L485 PolarHBondContact O-N 3.4Å; Y482-L485 PolarHBondContact O-N 3.23Å; N483-L485 VanDerWaalsContact C-N 3.3Å; N483-L485 PolarHBondContact O-N 3.06Å; L485-E487 PolarHBondContact O-N 2.9Å; L485-H488 WeakPolarHBondContact O-CB 3.21Å; L485-H488 PolarHBondContact O-N 3.24Å; L485-L489 HydrophobicContact CD1-CD1 4.32Å; L485-L489 HydrophobicContact CD1-CG 4.28Å; L485-L489 HydrophobicContact CD2-CD1 4.47Å; L485-L489 HydrophobicContact CG-CD1 3.81Å; L485-L489 HydrophobicContact CG-CG 4.25Å; L485-L489 WeakPolarHBondContact O-CB 3.38Å; L485-L489 WeakPolarHBondContact O-CD1 3.33Å; L485-L489 WeakPolarHBondContact O-CG 3.31Å; L485-L489 PolarHBondContact O-N 3.1Å; L485-E514 VanDerWaalsContact CD2-CD 3.41Å; L485-E514 HydrophobicContact CD2-CG 3.94Å; L485-E514 VanDerWaalsContact CD2-OE1 3.22Å; L485-E514 WeakPolarHBondContact CD2-OE1 3.13Å; L485-Y518 HydrophobicContact CD2-CE1 4.27Å; L485-Y518 WeakPolarHBondContact CD2-OH 3.48Å |
| 486 | Q | 81.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 176.4 | -66.5 | -46.8 | -62.9 | 0 | 0 | 112.4 | Y482 N483 H488 L489 D490 E514 | Y482-Q486 HydrophobicContact CD1-CG 4.33Å; Y482-Q486 HydrophobicContact CD2-CG 4.29Å; Y482-Q486 HydrophobicContact CE1-CG 3.87Å; Y482-Q486 HydrophobicContact CE2-CG 3.84Å; Y482-Q486 VanDerWaalsContact CE2-NE2 3.29Å; Y482-Q486 WeakPolarHBondContact O-CG 3.28Å; Y482-Q486 PolarHBondContact O-N 2.72Å; N483-Q486 PolarHBondContact O-N 3.28Å; Q486-H488 VanDerWaalsContact C-N 3.32Å; Q486-H488 PolarHBondContact O-N 2.88Å; Q486-L489 PolarHBondContact O-N 3.09Å; Q486-L489 VanDerWaalsContact O-N 3.13Å; Q486-D490 PolarHBondContact O-N 2.86Å; Q486-E514 PolarHBondContact NE2-OE2 2.8Å |
| 487 | E | 81.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.7 | -73.4 | 172.3 | -163.2 | 0 | 0 | 112.3 | K479 N483 Y484 L485 | K479-E487 WeakPolarHBondContact CE-OE1 3.44Å; K479-E487 IonicContact NZ-OE1 3.46Å; K479-E487 PolarHBondContact NZ-OE1 2.93Å; K479-E487 IonicContact NZ-OE2 3.83Å; K479-E487 PolarHBondContact NZ-OE2 3.22Å; N483-E487 WeakPolarHBondContact O-CG 3.41Å; N483-E487 PolarHBondContact O-N 3.03Å; Y484-E487 PolarHBondContact O-N 2.84Å; L485-E487 PolarHBondContact O-N 2.9Å |
| 488 | H | 81.8 | Confident | 81.2 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 173.3 | -179.6 | 68.5 | 0 | 0 | 0 | 111 | Y484 L485 Q486 D490 S491 V492 | Y484-H488 PolarHBondContact O-N 3.33Å; L485-H488 WeakPolarHBondContact O-CB 3.21Å; L485-H488 PolarHBondContact O-N 3.24Å; Q486-H488 VanDerWaalsContact C-N 3.32Å; Q486-H488 PolarHBondContact O-N 2.88Å; H488-D490 VanDerWaalsContact C-N 3.35Å; H488-D490 PolarHBondContact O-N 2.92Å; H488-S491 PolarHBondContact O-N 3.14Å; H488-S491 PolarHBondContact O-OG 3.27Å; H488-V492 WeakPolarHBondContact O-CG2 3.32Å |
| 489 | L | 85.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.2 | -31 | -176.3 | -70.9 | 169.1 | 0 | 0 | 0 | 113.8 | L485 Q486 S491 V492 V493 E514 Y517 | L485-L489 HydrophobicContact CD1-CD1 4.32Å; L485-L489 HydrophobicContact CD1-CG 4.28Å; L485-L489 HydrophobicContact CD2-CD1 4.47Å; L485-L489 HydrophobicContact CG-CD1 3.81Å; L485-L489 HydrophobicContact CG-CG 4.25Å; L485-L489 WeakPolarHBondContact O-CB 3.38Å; L485-L489 WeakPolarHBondContact O-CD1 3.33Å; L485-L489 WeakPolarHBondContact O-CG 3.31Å; L485-L489 PolarHBondContact O-N 3.1Å; Q486-L489 PolarHBondContact O-N 3.09Å; Q486-L489 VanDerWaalsContact O-N 3.13Å; L489-S491 PolarHBondContact O-N 3.28Å; L489-S491 VanDerWaalsContact O-N 3.14Å; L489-V492 PolarHBondContact O-N 2.8Å; L489-V493 PolarHBondContact O-N 3.42Å; L489-E514 VanDerWaalsContact CD1-CA 3.43Å; L489-E514 HydrophobicContact CD1-CB 3.49Å; L489-E514 VanDerWaalsContact CD1-CB 3.49Å; L489-E514 HydrophobicContact CD1-CG 3.9Å; L489-Y517 HydrophobicContact CD2-CD1 3.55Å; L489-Y517 HydrophobicContact CD2-CD2 4.24Å; L489-Y517 HydrophobicContact CD2-CE1 4.43Å; L489-Y517 HydrophobicContact CD2-CG 3.43Å; L489-Y517 VanDerWaalsContact CD2-CG 3.43Å |
| 490 | D | 79.9 | Confident | 84.1 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | 176.6 | -83.7 | -28.1 | 0 | 0 | 0 | 113.1 | Q486 H488 K513 | Q486-D490 PolarHBondContact O-N 2.86Å; H488-D490 VanDerWaalsContact C-N 3.35Å; H488-D490 PolarHBondContact O-N 2.92Å; D490-K513 IonicContact OD1-NZ 2.74Å; D490-K513 PolarHBondContact OD1-NZ 3.33Å |
| 491 | S | 78.4 | Confident | 85.2 | Confident | 99 Ų | 99 | 60.9 Ų | 60.9 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -12.4 | 174.1 | 72.9 | 0 | 0 | 0 | 0 | 114.5 | H488 L489 | H488-S491 PolarHBondContact O-N 3.14Å; H488-S491 PolarHBondContact O-OG 3.27Å; L489-S491 PolarHBondContact O-N 3.28Å; L489-S491 VanDerWaalsContact O-N 3.14Å |
| 492 | V | 85.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -39.3 | -171 | -179 | 0 | 0 | 0 | 0 | 112.2 | H488 L489 Y517 | H488-V492 WeakPolarHBondContact O-CG2 3.32Å; L489-V492 PolarHBondContact O-N 2.8Å; V492-Y517 HydrophobicContact CG1-CD2 3.75Å; V492-Y517 HydrophobicContact CG1-CE2 4.02Å |
| 493 | V | 89.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -118.6 | 116.4 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 110 | L489 Q497 M498 K513 Y516 | L489-V493 PolarHBondContact O-N 3.42Å; V493-Q497 HydrophobicContact CG1-CB 4.38Å; V493-M498 HydrophobicContact CG1-CG 4.14Å; V493-M498 HydrophobicContact CG1-SD 4.1Å; V493-K513 HydrophobicContact CB-CB 4.11Å; V493-K513 HydrophobicContact CB-CG 4.25Å; V493-K513 HydrophobicContact CG1-CB 4.22Å; V493-K513 HydrophobicContact CG1-CG 4.1Å; V493-K513 WeakPolarHBondContact O-CD 3.4Å; V493-K513 WeakPolarHBondContact O-CE 3.41Å; V493-Y516 HydrophobicContact CG1-CD1 3.81Å; V493-Y516 HydrophobicContact CG1-CE1 4.46Å; V493-Y516 HydrophobicContact CG1-CG 3.97Å; V493-Y516 HydrophobicContact CG2-CD1 4.15Å |
| 494 | N | 90.3 | Very high | 88.2 | Confident | 85 Ų | 85 | 73 Ų | 73 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | trans | -95.6 | 162.8 | 178.8 | 67.3 | 58.5 | 0 | 0 | 0 | 112.8 | S496 Q497 M498 | N494-S496 VanDerWaalsContact C-N 3.27Å; N494-S496 PolarHBondContact O-N 3.11Å; N494-S496 WeakPolarHBondContact OD1-CB 3.36Å; N494-S496 PolarHBondContact OD1-N 3.12Å; N494-Q497 PolarHBondContact ND2-OE1 2.87Å; N494-Q497 WeakPolarHBondContact O-CB 3.19Å; N494-Q497 PolarHBondContact O-N 3.35Å; N494-Q497 VanDerWaalsContact O-N 3.09Å; N494-Q497 PolarHBondContact OD1-N 3.11Å; N494-M498 PolarHBondContact O-N 3.35Å | ||
| 495 | D | 90.1 | Very high | 89.1 | Confident | 103 Ų | 103 | 69.4 Ų | 69.4 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.7 | -31.2 | -174.6 | -62.6 | -13.9 | 0 | 0 | 0 | 112.6 | Q497 M498 E499 K513 | D495-Q497 VanDerWaalsContact C-N 3.31Å; D495-Q497 PolarHBondContact O-N 2.83Å; D495-M498 WeakPolarHBondContact O-CB 3.45Å; D495-M498 PolarHBondContact O-N 3.45Å; D495-M498 VanDerWaalsContact O-N 3.15Å; D495-E499 WeakPolarHBondContact O-CG 3.41Å; D495-E499 PolarHBondContact O-N 3.23Å; D495-K513 VanDerWaalsContact OD1-CE 3.3Å; D495-K513 WeakPolarHBondContact OD1-CE 3.23Å; D495-K513 IonicContact OD1-NZ 3.72Å |
| 496 | S | 92.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -31.7 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | N494 K500 | N494-S496 VanDerWaalsContact C-N 3.27Å; N494-S496 PolarHBondContact O-N 3.11Å; N494-S496 WeakPolarHBondContact OD1-CB 3.36Å; N494-S496 PolarHBondContact OD1-N 3.12Å; S496-K500 WeakPolarHBondContact O-CG 3.41Å; S496-K500 PolarHBondContact O-N 3.47Å |
| 497 | Q | 92.6 | Very high | 90.5 | Very high | 49 Ų | 49 | 75.9 Ų | 75.9 | 23% | 0.229 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 171.4 | -72 | 169.9 | -56.3 | 0 | 0 | 110.8 | V493 N494 D495 E499 K500 A501 Y516 | V493-Q497 HydrophobicContact CG1-CB 4.38Å; N494-Q497 PolarHBondContact ND2-OE1 2.87Å; N494-Q497 WeakPolarHBondContact O-CB 3.19Å; N494-Q497 PolarHBondContact O-N 3.35Å; N494-Q497 VanDerWaalsContact O-N 3.09Å; N494-Q497 PolarHBondContact OD1-N 3.11Å; D495-Q497 VanDerWaalsContact C-N 3.31Å; D495-Q497 PolarHBondContact O-N 2.83Å; Q497-E499 PolarHBondContact O-N 3.1Å; Q497-K500 CarbonylContact O-C 3.55Å; Q497-K500 PolarHBondContact O-N 2.92Å; Q497-K500 VanDerWaalsContact O-N 3.1Å; Q497-A501 PolarHBondContact O-N 3.1Å; Q497-A501 VanDerWaalsContact O-N 3.11Å; Q497-Y516 HydrophobicContact CB-CE1 4.07Å; Q497-Y516 HydrophobicContact CB-CE2 4.18Å; Q497-Y516 VanDerWaalsContact O-CE2 3.31Å; Q497-Y516 WeakPolarHBondContact O-CE2 3.47Å |
| 498 | M | 93.9 | Very high | 91.2 | Very high | 42 Ų | 42 | 72.2 Ų | 72.2 | 21% | 0.207 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -41 | 177.5 | -71.9 | -57.3 | -54.2 | 0 | 0 | 112.5 | V493 N494 D495 K500 A501 K513 Y516 | V493-M498 HydrophobicContact CG1-CG 4.14Å; V493-M498 HydrophobicContact CG1-SD 4.1Å; N494-M498 PolarHBondContact O-N 3.35Å; D495-M498 WeakPolarHBondContact O-CB 3.45Å; D495-M498 PolarHBondContact O-N 3.45Å; D495-M498 VanDerWaalsContact O-N 3.15Å; M498-K500 PolarHBondContact O-N 3.15Å; M498-A501 WeakPolarHBondContact O-CB 3.4Å; M498-A501 PolarHBondContact O-N 3.39Å; M498-A501 VanDerWaalsContact O-N 3.12Å; M498-K513 HydrophobicContact CG-CG 4.01Å; M498-K513 HydrophobicContact SD-CG 4.26Å; M498-Y516 HydrophobicContact SD-CD2 3.7Å; M498-Y516 HydrophobicContact SD-CG 3.94Å |
| 499 | E | 94.1 | Very high | 91.8 | Very high | 153 Ų | 153 | 70.7 Ų | 70.7 | 72% | 0.715 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.5 | -29 | 174.5 | -73.3 | 172.5 | 176.8 | 0 | 0 | 112.9 | D495 Q497 | D495-E499 WeakPolarHBondContact O-CG 3.41Å; D495-E499 PolarHBondContact O-N 3.23Å; Q497-E499 PolarHBondContact O-N 3.1Å |
| 500 | K | 95 | Very high | 92.3 | Very high | 104 Ų | 104 | 71 Ų | 71 | 45% | 0.452 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 8.3 | -179.8 | -63.8 | 173.4 | -174.2 | 167.5 | 0 | 112.9 | S496 Q497 M498 E502 Q503 T504 | S496-K500 WeakPolarHBondContact O-CG 3.41Å; S496-K500 PolarHBondContact O-N 3.47Å; Q497-K500 CarbonylContact O-C 3.55Å; Q497-K500 PolarHBondContact O-N 2.92Å; Q497-K500 VanDerWaalsContact O-N 3.1Å; M498-K500 PolarHBondContact O-N 3.15Å; K500-E502 VanDerWaalsContact C-N 3.35Å; K500-E502 PolarHBondContact O-N 2.92Å; K500-Q503 PolarHBondContact O-N 2.93Å; K500-Q503 VanDerWaalsContact O-N 3.11Å; K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 PolarHBondContact O-N 3.4Å; K500-T504 PolarHBondContact O-OG1 3.43Å |
| 501 | A | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q497 M498 Q503 T504 F505 P510 Y516 | Q497-A501 PolarHBondContact O-N 3.1Å; Q497-A501 VanDerWaalsContact O-N 3.11Å; M498-A501 WeakPolarHBondContact O-CB 3.4Å; M498-A501 PolarHBondContact O-N 3.39Å; M498-A501 VanDerWaalsContact O-N 3.12Å; A501-Q503 VanDerWaalsContact C-N 3.31Å; A501-Q503 PolarHBondContact O-N 2.76Å; A501-T504 PolarHBondContact O-N 2.96Å; A501-F505 WeakPolarHBondContact O-CA 3.3Å; A501-F505 PolarHBondContact O-N 3.36Å; A501-P510 HydrophobicContact CB-CG 4.1Å; A501-Y516 HydrophobicContact CB-CD2 3.92Å; A501-Y516 HydrophobicContact CB-CE2 3.88Å |
| 502 | E | 95.4 | Very high | 93.5 | Very high | 144 Ų | 144 | 71.7 Ų | 71.7 | 67% | 0.673 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.2 | -32.5 | 177.9 | -65.3 | -173.4 | 168.8 | 0 | 0 | 113.2 | K500 P506 P509 | K500-E502 VanDerWaalsContact C-N 3.35Å; K500-E502 PolarHBondContact O-N 2.92Å; E502-P506 WeakPolarHBondContact O-CA 3.33Å; E502-P509 HydrophobicContact CB-CB 4.35Å; E502-P509 HydrophobicContact CG-CB 3.8Å; E502-P509 HydrophobicContact CG-CG 4.09Å |
| 503 | Q | 95.8 | Very high | 93.8 | Very high | 161 Ų | 161 | 71.1 Ų | 71.1 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -76.5 | -38.3 | 176.9 | -62.8 | 175.2 | 9.2 | 0 | 0 | 111.4 | K500 A501 | K500-Q503 PolarHBondContact O-N 2.93Å; K500-Q503 VanDerWaalsContact O-N 3.11Å; A501-Q503 VanDerWaalsContact C-N 3.31Å; A501-Q503 PolarHBondContact O-N 2.76Å |
| 504 | T | 95.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 71 Ų | 71 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.3 | -40.3 | -177 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | K500 A501 | K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 PolarHBondContact O-N 3.4Å; K500-T504 PolarHBondContact O-OG1 3.43Å; A501-T504 PolarHBondContact O-N 2.96Å |
| 505 | F | 96.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | trans | -127.6 | 77.5 | -176.6 | -56.8 | -52.7 | 0 | 0 | 0 | 109.9 | A501 H507 P509 P510 Y516 R519 Q520 E523 | A501-F505 WeakPolarHBondContact O-CA 3.3Å; A501-F505 PolarHBondContact O-N 3.36Å; F505-H507 VanDerWaalsContact C-N 3.29Å; F505-H507 PolarHBondContact O-N 3.3Å; F505-P509 WeakPolarHBondContact O-CA 3.48Å; F505-P509 WeakPolarHBondContact O-CB 3.34Å; F505-P510 HydrophobicContact CD2-CG 3.74Å; F505-P510 HydrophobicContact CE2-CG 4.38Å; F505-Y516 HydrophobicContact CD2-CD2 4.35Å; F505-Y516 HydrophobicContact CD2-CE2 4.06Å; F505-Y516 HydrophobicContact CE2-CD1 4.24Å; F505-Y516 HydrophobicContact CE2-CD2 4.11Å; F505-Y516 AromaticContact CE2-CE1 3.89Å; F505-Y516 HydrophobicContact CE2-CE1 3.89Å; F505-Y516 AromaticContact CE2-CE2 3.74Å; F505-Y516 HydrophobicContact CE2-CE2 3.74Å; F505-Y516 HydrophobicContact CE2-CG 4.32Å; F505-Y516 AromaticContact CE2-CZ 3.59Å; F505-R519 HydrophobicContact CB-CG 4.45Å; F505-R519 HydrophobicContact CD1-CG 3.77Å; F505-R519 HydrophobicContact CD2-CG 3.82Å; F505-R519 HydrophobicContact CE1-CG 3.88Å; F505-R519 HydrophobicContact CE2-CB 4.35Å; F505-R519 HydrophobicContact CE2-CG 3.88Å; F505-R519 HydrophobicContact CG-CG 3.74Å; F505-R519 HydrophobicContact CZ-CG 3.92Å; F505-Q520 HydrophobicContact CE2-CG 4.36Å; F505-Q520 HydrophobicContact CZ-CG 4Å; F505-E523 HydrophobicContact CD1-CG 4.4Å; F505-E523 HydrophobicContact CE1-CG 3.9Å | ||
| 506 | P | 95.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 69% | 0.688 | 31% | 0.309 | S | S | * | . | trans | -65.7 | -30.9 | -175 | 24.5 | -34.4 | 0 | 0 | 0 | 113.3 | E502 | E502-P506 WeakPolarHBondContact O-CA 3.33Š| ||
| 507 | H | 96.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 61.1 Ų | 61.1 | 32% | 0.324 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -86.7 | 124.5 | 172.1 | -177.3 | 74.9 | 0 | 0 | 0 | 109.9 | Y334 F505 R519 A530 L533 | Y334-H507 PolarHBondContact OH-CD2 3.04Å; F505-H507 VanDerWaalsContact C-N 3.29Å; F505-H507 PolarHBondContact O-N 3.3Å; H507-R519 PolarHBondContact O-NH1 3.19Å; H507-R519 PolarHBondContact O-NH2 3.43Å; H507-A530 PolarHBondContact CD2-O 3.03Å; H507-A530 PolarHBondContact NE2-O 3.01Å; H507-L533 PolarHBondContact NE2-O 3.39Å |
| 508 | N | 95.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 47 | 62 | -178.1 | -71.5 | -21.8 | 0 | 0 | 0 | 113.3 | Y334 R519 L533 S534 Y536 | Y334-N508 HydrophobicContact CE2-CB 3.99Å; Y334-N508 PolarHBondContact OH-ND2 3.29Å; N508-R519 PolarHBondContact O-NH1 3.1Å; N508-L533 PolarHBondContact ND2-O 3.3Å; N508-L533 VanDerWaalsContact ND2-O 3.09Å; N508-S534 PolarHBondContact ND2-O 3.15Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å; N508-S534 PolarHBondContact OD1-O 3.27Å; N508-Y536 HydrophobicContact CB-CD2 4.33Å; N508-Y536 HydrophobicContact CB-CE2 3.8Å; N508-Y536 WeakPolarHBondContact O-CE2 3.3Å; N508-Y536 PolarHBondContact O-OH 3.31Å |
| 509 | P | 95.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 57 Ų | 57 | 24% | 0.24 | 28% | 0.276 | C | S | . | . | trans | -59.3 | 128.9 | -176.6 | 24.7 | -34.3 | 0 | 0 | 0 | 111 | E502 F505 R511 | E502-P509 HydrophobicContact CB-CB 4.35Å; E502-P509 HydrophobicContact CG-CB 3.8Å; E502-P509 HydrophobicContact CG-CG 4.09Å; F505-P509 WeakPolarHBondContact O-CA 3.48Å; F505-P509 WeakPolarHBondContact O-CB 3.34Å; P509-R511 PolarHBondContact O-N 3.22Å | ||
| 510 | P | 94.8 | Very high | 95 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -67.4 | 133.5 | -178.5 | 26.6 | -33.1 | 0 | 0 | 0 | 111 | A501 F505 A515 Y516 | A501-P510 HydrophobicContact CB-CG 4.1Å; F505-P510 HydrophobicContact CD2-CG 3.74Å; F505-P510 HydrophobicContact CE2-CG 4.38Å; P510-A515 VanDerWaalsContact CB-C 3.47Å; P510-A515 HydrophobicContact CB-CB 3.58Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.6Å; P510-Y516 HydrophobicContact CG-CE2 4.42Å; P510-Y516 HydrophobicContact CG-CG 4.05Å | ||
| 511 | R | 92.2 | Very high | 95.1 | Very high | 187 Ų | 187 | 48 Ų | 48 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | trans | -101.2 | -5.2 | -178 | -63.4 | -173.1 | 176 | -170.7 | -2 | 114.2 | P509 | P509-R511 PolarHBondContact O-N 3.22Š| ||
| 512 | T | 90.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 17% | 0.172 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -133.5 | 155.9 | 178 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | E514 A515 Y516 | T512-E514 PolarHBondContact O-N 2.97Å; T512-A515 PolarHBondContact O-N 3.23Å; T512-A515 WeakPolarHBondContact OG1-CB 3.02Å; T512-A515 PolarHBondContact OG1-N 3.31Å; T512-A515 VanDerWaalsContact OG1-N 3.13Å; T512-Y516 PolarHBondContact O-N 3.06Å |
| 513 | K | 91.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 43 Ų | 43 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.8 | -35.8 | 175.4 | -70 | -173.9 | -180 | -175.2 | 0 | 112 | D490 V493 D495 M498 Y516 Y517 | D490-K513 IonicContact OD1-NZ 2.74Å; D490-K513 PolarHBondContact OD1-NZ 3.33Å; V493-K513 HydrophobicContact CB-CB 4.11Å; V493-K513 HydrophobicContact CB-CG 4.25Å; V493-K513 HydrophobicContact CG1-CB 4.22Å; V493-K513 HydrophobicContact CG1-CG 4.1Å; V493-K513 WeakPolarHBondContact O-CD 3.4Å; V493-K513 WeakPolarHBondContact O-CE 3.41Å; D495-K513 VanDerWaalsContact OD1-CE 3.3Å; D495-K513 WeakPolarHBondContact OD1-CE 3.23Å; D495-K513 IonicContact OD1-NZ 3.72Å; M498-K513 HydrophobicContact CG-CG 4.01Å; M498-K513 HydrophobicContact SD-CG 4.26Å; K513-Y516 WeakPolarHBondContact O-CB 3.41Å; K513-Y516 PolarHBondContact O-N 3.38Å; K513-Y517 PolarHBondContact O-N 3.46Å |
| 514 | E | 91.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -49.7 | 176 | -176.4 | 171.8 | 166.4 | 0 | 0 | 112.9 | R340 L485 Q486 L489 T512 Y516 Y517 Y518 | R340-E514 VanDerWaalsContact CG-OE1 3.29Å; R340-E514 WeakPolarHBondContact CG-OE1 3.19Å; R340-E514 IonicContact CZ-OE1 3.05Å; R340-E514 VanDerWaalsContact CZ-OE1 3.31Å; R340-E514 IonicContact CZ-OE2 3.74Å; R340-E514 IonicContact NE-OE1 3.39Å; R340-E514 PolarHBondContact NE-OE1 3.08Å; R340-E514 IonicContact NE-OE2 3.15Å; R340-E514 PolarHBondContact NE-OE2 2.77Å; R340-E514 IonicContact NH2-OE1 2.84Å; R340-E514 PolarHBondContact NH2-OE1 2.82Å; R340-E514 IonicContact NH2-OE2 3.43Å; R340-E514 PolarHBondContact NH2-OE2 3.14Å; L485-E514 VanDerWaalsContact CD2-CD 3.41Å; L485-E514 HydrophobicContact CD2-CG 3.94Å; L485-E514 VanDerWaalsContact CD2-OE1 3.22Å; L485-E514 WeakPolarHBondContact CD2-OE1 3.13Å; Q486-E514 PolarHBondContact NE2-OE2 2.8Å; L489-E514 VanDerWaalsContact CD1-CA 3.43Å; L489-E514 HydrophobicContact CD1-CB 3.49Å; L489-E514 VanDerWaalsContact CD1-CB 3.49Å; L489-E514 HydrophobicContact CD1-CG 3.9Å; T512-E514 PolarHBondContact O-N 2.97Å; E514-Y516 PolarHBondContact O-N 2.87Å; E514-Y517 PolarHBondContact O-N 2.83Å; E514-Y518 HydrophobicContact CG-CD2 4.14Å; E514-Y518 HydrophobicContact CG-CE1 4.03Å; E514-Y518 HydrophobicContact CG-CE2 3.64Å; E514-Y518 PolarHBondContact O-N 2.91Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.42Å; E514-Y518 VanDerWaalsContact OE1-CZ 3.3Å; E514-Y518 PolarHBondContact OE1-OH 2.9Å |
| 515 | A | 94 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | I336 P510 T512 R519 | I336-A515 HydrophobicContact CD1-CB 3.7Å; I336-A515 HydrophobicContact CG1-CB 3.86Å; P510-A515 VanDerWaalsContact CB-C 3.47Å; P510-A515 HydrophobicContact CB-CB 3.58Å; T512-A515 PolarHBondContact O-N 3.23Å; T512-A515 WeakPolarHBondContact OG1-CB 3.02Å; T512-A515 PolarHBondContact OG1-N 3.31Å; T512-A515 VanDerWaalsContact OG1-N 3.13Å; A515-R519 VanDerWaalsContact O-CB 3.24Å; A515-R519 WeakPolarHBondContact O-CB 3.48Å; A515-R519 PolarHBondContact O-N 2.97Å |
| 516 | Y | 95.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.6 | -164.8 | -72.8 | 0 | 0 | 0 | 111.2 | V493 Q497 M498 A501 F505 P510 T512 K513 E514 R519 Q520 | V493-Y516 HydrophobicContact CG1-CD1 3.81Å; V493-Y516 HydrophobicContact CG1-CE1 4.46Å; V493-Y516 HydrophobicContact CG1-CG 3.97Å; V493-Y516 HydrophobicContact CG2-CD1 4.15Å; Q497-Y516 HydrophobicContact CB-CE1 4.07Å; Q497-Y516 HydrophobicContact CB-CE2 4.18Å; Q497-Y516 VanDerWaalsContact O-CE2 3.31Å; Q497-Y516 WeakPolarHBondContact O-CE2 3.47Å; M498-Y516 HydrophobicContact SD-CD2 3.7Å; M498-Y516 HydrophobicContact SD-CG 3.94Å; A501-Y516 HydrophobicContact CB-CD2 3.92Å; A501-Y516 HydrophobicContact CB-CE2 3.88Å; F505-Y516 HydrophobicContact CD2-CD2 4.35Å; F505-Y516 HydrophobicContact CD2-CE2 4.06Å; F505-Y516 HydrophobicContact CE2-CD1 4.24Å; F505-Y516 HydrophobicContact CE2-CD2 4.11Å; F505-Y516 AromaticContact CE2-CE1 3.89Å; F505-Y516 HydrophobicContact CE2-CE1 3.89Å; F505-Y516 AromaticContact CE2-CE2 3.74Å; F505-Y516 HydrophobicContact CE2-CE2 3.74Å; F505-Y516 HydrophobicContact CE2-CG 4.32Å; F505-Y516 AromaticContact CE2-CZ 3.59Å; P510-Y516 VanDerWaalsContact CB-N 3.32Å; P510-Y516 HydrophobicContact CG-CD2 3.6Å; P510-Y516 HydrophobicContact CG-CE2 4.42Å; P510-Y516 HydrophobicContact CG-CG 4.05Å; T512-Y516 PolarHBondContact O-N 3.06Å; K513-Y516 WeakPolarHBondContact O-CB 3.41Å; K513-Y516 PolarHBondContact O-N 3.38Å; E514-Y516 PolarHBondContact O-N 2.87Å; Y516-R519 PolarHBondContact O-N 3.29Å; Y516-Q520 HydrophobicContact CD1-CG 3.77Å; Y516-Q520 HydrophobicContact CE1-CG 3.61Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.41Å |
| 517 | Y | 95.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 9% | 0.086 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 176.7 | 173.7 | -113.4 | 0 | 0 | 0 | 112 | V324 L489 V492 K513 E514 R519 Q520 V521 | V324-Y517 HydrophobicContact CB-CE1 4.5Å; V324-Y517 HydrophobicContact CG1-CE1 3.85Å; L489-Y517 HydrophobicContact CD2-CD1 3.55Å; L489-Y517 HydrophobicContact CD2-CD2 4.24Å; L489-Y517 HydrophobicContact CD2-CE1 4.43Å; L489-Y517 HydrophobicContact CD2-CG 3.43Å; L489-Y517 VanDerWaalsContact CD2-CG 3.43Å; V492-Y517 HydrophobicContact CG1-CD2 3.75Å; V492-Y517 HydrophobicContact CG1-CE2 4.02Å; K513-Y517 PolarHBondContact O-N 3.46Å; E514-Y517 PolarHBondContact O-N 2.83Å; Y517-R519 VanDerWaalsContact C-N 3.26Å; Y517-R519 PolarHBondContact O-N 3.4Å; Y517-Q520 WeakPolarHBondContact O-CB 3.23Å; Y517-Q520 PolarHBondContact O-N 3.01Å; Y517-Q520 VanDerWaalsContact O-N 3.1Å; Y517-V521 HydrophobicContact CD2-CG2 4.19Å; Y517-V521 HydrophobicContact CE1-CG2 4.2Å; Y517-V521 HydrophobicContact CE2-CG2 3.72Å; Y517-V521 WeakPolarHBondContact O-CG2 3.09Å; Y517-V521 PolarHBondContact O-N 2.87Å |
| 518 | Y | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 176.7 | -65.4 | -10.6 | 0 | 0 | 0 | 111.6 | V324 I328 I336 V339 L485 E514 V521 F522 | V324-Y518 HydrophobicContact CG1-CD1 3.99Å; V324-Y518 HydrophobicContact CG1-CE1 3.72Å; I328-Y518 HydrophobicContact CD1-CD1 3.91Å; I328-Y518 HydrophobicContact CD1-CG 4.13Å; I336-Y518 HydrophobicContact CG2-CE2 4.39Å; V339-Y518 HydrophobicContact CB-CD2 3.82Å; V339-Y518 HydrophobicContact CB-CE2 3.59Å; V339-Y518 HydrophobicContact CB-CG 4.43Å; V339-Y518 HydrophobicContact CG1-CD1 4.11Å; V339-Y518 HydrophobicContact CG1-CD2 3.93Å; V339-Y518 HydrophobicContact CG1-CE1 3.78Å; V339-Y518 HydrophobicContact CG1-CE2 3.56Å; V339-Y518 HydrophobicContact CG1-CG 4.17Å; V339-Y518 VanDerWaalsContact CG1-CZ 3.45Å; V339-Y518 HydrophobicContact CG2-CD2 4.1Å; V339-Y518 HydrophobicContact CG2-CE2 4.38Å; V339-Y518 HydrophobicContact CG2-CG 4.46Å; L485-Y518 HydrophobicContact CD2-CE1 4.27Å; L485-Y518 WeakPolarHBondContact CD2-OH 3.48Å; E514-Y518 HydrophobicContact CG-CD2 4.14Å; E514-Y518 HydrophobicContact CG-CE1 4.03Å; E514-Y518 HydrophobicContact CG-CE2 3.64Å; E514-Y518 PolarHBondContact O-N 2.91Å; E514-Y518 WeakPolarHBondContact OE1-CE2 3.42Å; E514-Y518 VanDerWaalsContact OE1-CZ 3.3Å; E514-Y518 PolarHBondContact OE1-OH 2.9Å; Y518-V521 PolarHBondContact O-N 3.16Å; Y518-F522 WeakPolarHBondContact O-CB 3.42Å; Y518-F522 PolarHBondContact O-N 3Å |
| 519 | R | 97.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.2 | -177.5 | 55.6 | 174.6 | -76.6 | -7.6 | 112.4 | F505 H507 N508 A515 Y516 Y517 F522 E523 | F505-R519 HydrophobicContact CB-CG 4.45Å; F505-R519 HydrophobicContact CD1-CG 3.77Å; F505-R519 HydrophobicContact CD2-CG 3.82Å; F505-R519 HydrophobicContact CE1-CG 3.88Å; F505-R519 HydrophobicContact CE2-CB 4.35Å; F505-R519 HydrophobicContact CE2-CG 3.88Å; F505-R519 HydrophobicContact CG-CG 3.74Å; F505-R519 HydrophobicContact CZ-CG 3.92Å; H507-R519 PolarHBondContact O-NH1 3.19Å; H507-R519 PolarHBondContact O-NH2 3.43Å; N508-R519 PolarHBondContact O-NH1 3.1Å; A515-R519 VanDerWaalsContact O-CB 3.24Å; A515-R519 WeakPolarHBondContact O-CB 3.48Å; A515-R519 PolarHBondContact O-N 2.97Å; Y516-R519 PolarHBondContact O-N 3.29Å; Y517-R519 VanDerWaalsContact C-N 3.26Å; Y517-R519 PolarHBondContact O-N 3.4Å; R519-F522 PolarHBondContact O-N 2.78Å; R519-E523 HydrophobicContact CG-CG 4.39Å; R519-E523 IonicContact CZ-OE1 3.43Å; R519-E523 IonicContact NE-OE1 3.2Å; R519-E523 PolarHBondContact NE-OE1 3.35Å; R519-E523 IonicContact NH2-OE1 2.83Å; R519-E523 PolarHBondContact NH2-OE1 3.34Å; R519-E523 VanDerWaalsContact O-CG 3.27Å; R519-E523 WeakPolarHBondContact O-CG 3.35Å; R519-E523 PolarHBondContact O-N 2.65Å |
| 520 | Q | 96.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 29% | 0.29 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.1 | -73.8 | -179.1 | -67 | 0 | 0 | 112.2 | F505 Y516 Y517 F522 E523 K524 | F505-Q520 HydrophobicContact CE2-CG 4.36Å; F505-Q520 HydrophobicContact CZ-CG 4Å; Y516-Q520 HydrophobicContact CD1-CG 3.77Å; Y516-Q520 HydrophobicContact CE1-CG 3.61Å; Y516-Q520 WeakPolarHBondContact O-CG 3.38Å; Y516-Q520 PolarHBondContact O-N 3.41Å; Y517-Q520 WeakPolarHBondContact O-CB 3.23Å; Y517-Q520 PolarHBondContact O-N 3.01Å; Y517-Q520 VanDerWaalsContact O-N 3.1Å; Q520-F522 VanDerWaalsContact C-N 3.32Å; Q520-E523 PolarHBondContact O-N 3.13Å; Q520-K524 WeakPolarHBondContact O-CB 3.47Å; Q520-K524 PolarHBondContact O-N 3.34Å |
| 521 | V | 97.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | E325 I328 Y517 Y518 K524 F525 | E325-V521 HydrophobicContact CB-CG1 4.17Å; E325-V521 HydrophobicContact CG-CG1 3.91Å; E325-V521 HydrophobicContact CG-CG2 4.21Å; I328-V521 HydrophobicContact CB-CG1 3.9Å; I328-V521 HydrophobicContact CD1-CB 3.78Å; I328-V521 HydrophobicContact CD1-CG1 3.75Å; I328-V521 HydrophobicContact CD1-CG2 4.47Å; I328-V521 HydrophobicContact CG1-CG1 4.41Å; I328-V521 HydrophobicContact CG2-CB 4.4Å; I328-V521 HydrophobicContact CG2-CG1 3.86Å; Y517-V521 HydrophobicContact CD2-CG2 4.19Å; Y517-V521 HydrophobicContact CE1-CG2 4.2Å; Y517-V521 HydrophobicContact CE2-CG2 3.72Å; Y517-V521 WeakPolarHBondContact O-CG2 3.09Å; Y517-V521 PolarHBondContact O-N 2.87Å; Y518-V521 PolarHBondContact O-N 3.16Å; V521-K524 WeakPolarHBondContact O-CB 3.1Å; V521-K524 PolarHBondContact O-N 2.96Å; V521-F525 HydrophobicContact CG1-CD2 4.08Å; V521-F525 HydrophobicContact CG1-CE2 3.78Å; V521-F525 VanDerWaalsContact O-CD2 3.23Å; V521-F525 WeakPolarHBondContact O-CD2 3.41Å; V521-F525 PolarHBondContact O-N 3.46Å |
| 522 | F | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.9 | 174.4 | -89 | 0 | 0 | 0 | 111.9 | I328 E332 Y334 Y518 R519 Q520 K524 F525 F526 R529 A530 W532 | I328-F522 HydrophobicContact CG2-CB 3.99Å; E332-F522 WeakPolarHBondContact O-CE2 3.43Å; Y334-F522 HydrophobicContact CD1-CB 4.28Å; Y334-F522 AromaticContact CD1-CD1 3.7Å; Y334-F522 HydrophobicContact CD1-CD1 3.7Å; Y334-F522 AromaticContact CD1-CD2 3.96Å; Y334-F522 HydrophobicContact CD1-CD2 3.96Å; Y334-F522 AromaticContact CD1-CE1 4Å; Y334-F522 HydrophobicContact CD1-CE1 4Å; Y334-F522 HydrophobicContact CD1-CE2 4.23Å; Y334-F522 AromaticContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CG 3.68Å; Y334-F522 HydrophobicContact CD1-CZ 4.25Å; Y334-F522 HydrophobicContact CE1-CD1 4.28Å; Y334-F522 HydrophobicContact CE1-CE1 4.19Å; Y334-F522 HydrophobicContact CE1-CZ 4.44Å; Y334-F522 HydrophobicContact CG-CB 4.49Å; Y334-F522 HydrophobicContact CG-CG 4.36Å; Y518-F522 WeakPolarHBondContact O-CB 3.42Å; Y518-F522 PolarHBondContact O-N 3Å; R519-F522 PolarHBondContact O-N 2.78Å; Q520-F522 VanDerWaalsContact C-N 3.32Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.29Å; F522-F525 PolarHBondContact O-N 3.16Å; F522-F525 VanDerWaalsContact O-N 3.13Å; F522-F526 AromaticContact CD2-CD2 3.83Å; F522-F526 HydrophobicContact CD2-CD2 3.83Å; F522-F526 HydrophobicContact CE1-CB 4.16Å; F522-F526 HydrophobicContact CE2-CB 4.09Å; F522-F526 AromaticContact CE2-CD2 3.73Å; F522-F526 HydrophobicContact CE2-CD2 3.73Å; F522-F526 HydrophobicContact CE2-CG 4.27Å; F522-F526 HydrophobicContact CZ-CB 3.87Å; F522-F526 HydrophobicContact CZ-CD2 4.39Å; F522-F526 PolarHBondContact O-N 3.27Å; F522-R529 HydrophobicContact CE1-CB 4.34Å; F522-R529 HydrophobicContact CZ-CB 4.08Å; F522-A530 HydrophobicContact CE1-CB 4.27Å; F522-W532 HydrophobicContact CE2-CE3 4.15Å; F522-W532 HydrophobicContact CE2-CZ3 4.47Å; F522-W532 AromaticContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CZ3 4.4Å |
| 523 | E | 97.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 33 Ų | 33 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -25.1 | 179.9 | -66 | -76.9 | -179.5 | 0 | 0 | 112.6 | F505 R519 Q520 P527 G528 | F505-E523 HydrophobicContact CD1-CG 4.4Å; F505-E523 HydrophobicContact CE1-CG 3.9Å; R519-E523 HydrophobicContact CG-CG 4.39Å; R519-E523 IonicContact CZ-OE1 3.43Å; R519-E523 IonicContact NE-OE1 3.2Å; R519-E523 PolarHBondContact NE-OE1 3.35Å; R519-E523 IonicContact NH2-OE1 2.83Å; R519-E523 PolarHBondContact NH2-OE1 3.34Å; R519-E523 VanDerWaalsContact O-CG 3.27Å; R519-E523 WeakPolarHBondContact O-CG 3.35Å; R519-E523 PolarHBondContact O-N 2.65Å; Q520-E523 PolarHBondContact O-N 3.13Å; E523-P527 WeakPolarHBondContact O-CA 3.47Å; E523-P527 WeakPolarHBondContact OE2-CA 3.44Å; E523-G528 PolarHBondContact OE2-N 2.81Å |
| 524 | K | 97 | Very high | 95.9 | Very high | 129 Ų | 129 | 33.9 Ų | 33.9 | 56% | 0.561 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62.2 | -41 | 170.5 | 171.8 | -171.6 | 174.1 | -174.2 | 0 | 111.7 | E325 Q520 V521 F522 | E325-K524 IonicContact OE1-NZ 3.59Å; E325-K524 IonicContact OE2-NZ 3.21Å; E325-K524 PolarHBondContact OE2-NZ 3.21Å; Q520-K524 WeakPolarHBondContact O-CB 3.47Å; Q520-K524 PolarHBondContact O-N 3.34Å; V521-K524 WeakPolarHBondContact O-CB 3.1Å; V521-K524 PolarHBondContact O-N 2.96Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 3.29Å |
| 525 | F | 96.8 | Very high | 96 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -90.4 | -33.8 | -179.7 | -67.4 | -62.5 | 0 | 0 | 0 | 113.4 | E325 F329 V521 F522 | E325-F525 HydrophobicContact CB-CE2 4.3Å; E325-F525 HydrophobicContact CB-CZ 4.48Å; E325-F525 WeakPolarHBondContact O-CE2 3.23Å; F329-F525 HydrophobicContact CB-CD2 4.06Å; F329-F525 HydrophobicContact CB-CE2 4.01Å; F329-F525 HydrophobicContact CB-CG 4.33Å; F329-F525 HydrophobicContact CB-CZ 4.25Å; F329-F525 HydrophobicContact CD2-CB 4.35Å; F329-F525 AromaticContact CD2-CD1 3.83Å; F329-F525 HydrophobicContact CD2-CD1 3.83Å; F329-F525 HydrophobicContact CD2-CE1 4.24Å; F329-F525 HydrophobicContact CD2-CG 4.03Å; V521-F525 HydrophobicContact CG1-CD2 4.08Å; V521-F525 HydrophobicContact CG1-CE2 3.78Å; V521-F525 VanDerWaalsContact O-CD2 3.23Å; V521-F525 WeakPolarHBondContact O-CD2 3.41Å; V521-F525 PolarHBondContact O-N 3.46Å; F522-F525 PolarHBondContact O-N 3.16Å; F522-F525 VanDerWaalsContact O-N 3.13Å |
| 526 | F | 96.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -133.1 | 62.7 | -170.5 | -51.6 | -63.5 | 0 | 0 | 0 | 111.2 | K162 V165 F329 E332 F522 G528 R529 W532 | K162-F526 HydrophobicContact CB-CE1 3.88Å; K162-F526 HydrophobicContact CB-CZ 4.25Å; V165-F526 HydrophobicContact CG2-CD1 4.13Å; F329-F526 HydrophobicContact CD2-CZ 4.04Å; F329-F526 HydrophobicContact CE2-CZ 4.4Å; F329-F526 WeakPolarHBondContact O-CZ 3.47Å; E332-F526 HydrophobicContact CB-CE2 4.19Å; E332-F526 HydrophobicContact CB-CZ 4.4Å; E332-F526 HydrophobicContact CG-CE2 4.05Å; E332-F526 HydrophobicContact CG-CZ 3.81Å; F522-F526 AromaticContact CD2-CD2 3.83Å; F522-F526 HydrophobicContact CD2-CD2 3.83Å; F522-F526 HydrophobicContact CE1-CB 4.16Å; F522-F526 HydrophobicContact CE2-CB 4.09Å; F522-F526 AromaticContact CE2-CD2 3.73Å; F522-F526 HydrophobicContact CE2-CD2 3.73Å; F522-F526 HydrophobicContact CE2-CG 4.27Å; F522-F526 HydrophobicContact CZ-CB 3.87Å; F522-F526 HydrophobicContact CZ-CD2 4.39Å; F522-F526 PolarHBondContact O-N 3.27Å; F526-G528 PolarHBondContact O-N 3.38Å; F526-R529 HydrophobicContact CB-CB 3.97Å; F526-R529 HydrophobicContact CB-CG 4.13Å; F526-R529 WeakPolarHBondContact O-CB 3.25Å; F526-R529 PolarHBondContact O-N 2.71Å; F526-R529 VanDerWaalsContact O-N 3.16Å; F526-W532 HydrophobicContact CB-CH2 4.3Å; F526-W532 HydrophobicContact CB-CZ3 3.97Å; F526-W532 AromaticContact CD1-CH2 3.95Å; F526-W532 HydrophobicContact CD1-CH2 3.95Å; F526-W532 AromaticContact CD1-CZ3 3.84Å; F526-W532 HydrophobicContact CD1-CZ3 3.84Å; F526-W532 HydrophobicContact CD2-CZ3 4.3Å; F526-W532 HydrophobicContact CE1-CZ3 4.43Å; F526-W532 HydrophobicContact CG-CH2 4.23Å; F526-W532 AromaticContact CG-CZ3 3.77Å; F526-W532 HydrophobicContact CG-CZ3 3.77Å |
| 527 | P | 94.9 | Very high | 96 | Very high | 85 Ų | 85 | 38.6 Ų | 38.6 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 126.9 | -174.1 | 24.3 | -34.6 | 0 | 0 | 0 | 111.6 | E523 R529 | E523-P527 WeakPolarHBondContact O-CA 3.47Å; E523-P527 WeakPolarHBondContact OE2-CA 3.44Å; P527-R529 VanDerWaalsContact C-N 3.32Å; P527-R529 PolarHBondContact O-N 3.37Å |
| 528 | G | 92.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 21.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E523 F526 Q531 | E523-G528 PolarHBondContact OE2-N 2.81Å; F526-G528 PolarHBondContact O-N 3.38Å; G528-Q531 PolarHBondContact O-NE2 3.45Å; G528-Q531 PolarHBondContact O-OE1 3.37Å; G528-Q531 VanDerWaalsContact O-OE1 3.06Å |
| 529 | R | 95.5 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | trans | -109.7 | 14.2 | -178.5 | -55.4 | -55.8 | -176.6 | 177.9 | 3.3 | 114.3 | F522 F526 P527 Q531 W532 | F522-R529 HydrophobicContact CE1-CB 4.34Å; F522-R529 HydrophobicContact CZ-CB 4.08Å; F526-R529 HydrophobicContact CB-CB 3.97Å; F526-R529 HydrophobicContact CB-CG 4.13Å; F526-R529 WeakPolarHBondContact O-CB 3.25Å; F526-R529 PolarHBondContact O-N 2.71Å; F526-R529 VanDerWaalsContact O-N 3.16Å; P527-R529 VanDerWaalsContact C-N 3.32Å; P527-R529 PolarHBondContact O-N 3.37Å; R529-Q531 VanDerWaalsContact CA-OE1 3.28Å; R529-Q531 PolarHBondContact O-N 3.32Å; R529-W532 HydrophobicContact CB-CD2 3.91Å; R529-W532 HydrophobicContact CB-CE3 4.02Å; R529-W532 HydrophobicContact CB-CH2 3.83Å; R529-W532 HydrophobicContact CB-CZ2 3.72Å; R529-W532 HydrophobicContact CB-CZ3 3.99Å; R529-W532 HydrophobicContact CG-CH2 3.86Å; R529-W532 HydrophobicContact CG-CZ2 3.71Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.84Å; R529-W532 VanDerWaalsContact O-N 3.08Å | ||
| 530 | A | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.1 | -21.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y334 H507 F522 W532 L533 | Y334-A530 HydrophobicContact CE1-CB 3.9Å; Y334-A530 WeakPolarHBondContact CE1-O 3.25Å; Y334-A530 PolarHBondContact OH-O 3.19Å; H507-A530 PolarHBondContact CD2-O 3.03Å; H507-A530 PolarHBondContact NE2-O 3.01Å; F522-A530 HydrophobicContact CE1-CB 4.27Å; A530-W532 PolarHBondContact O-N 3.01Å; A530-L533 PolarHBondContact O-N 2.93Å; A530-L533 VanDerWaalsContact O-O 3.13Å |
| 531 | Q | 95.1 | Very high | 94.9 | Very high | 94 Ų | 94 | 43.7 Ų | 43.7 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -65.5 | -12.2 | 175.6 | 69.1 | -82.4 | 18.2 | 0 | 0 | 114.6 | G528 R529 L533 | G528-Q531 PolarHBondContact O-NE2 3.45Å; G528-Q531 PolarHBondContact O-OE1 3.37Å; G528-Q531 VanDerWaalsContact O-OE1 3.06Å; R529-Q531 VanDerWaalsContact CA-OE1 3.28Å; R529-Q531 PolarHBondContact O-N 3.32Å; Q531-L533 PolarHBondContact O-N 3.37Å |
| 532 | W | 95.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -61.5 | -29.2 | 170.4 | -65.9 | -17 | 0 | 0 | 0 | 112.3 | A161 V165 I177 E332 F522 F526 R529 A530 | A161-W532 HydrophobicContact CB-CD2 4.29Å; A161-W532 HydrophobicContact CB-CE3 4.1Å; A161-W532 HydrophobicContact CB-CH2 3.34Å; A161-W532 HydrophobicContact CB-CZ2 3.53Å; A161-W532 HydrophobicContact CB-CZ3 3.64Å; V165-W532 HydrophobicContact CG2-CH2 3.69Å; V165-W532 HydrophobicContact CG2-CZ2 4.19Å; I177-W532 HydrophobicContact CB-CZ2 4.02Å; I177-W532 HydrophobicContact CD1-CZ2 4.12Å; I177-W532 HydrophobicContact CG2-CZ2 3.91Å; I177-W532 PolarHBondContact O-NE1 3.12Å; E332-W532 HydrophobicContact CB-CE3 4.18Å; E332-W532 HydrophobicContact CB-CZ3 4.1Å; F522-W532 HydrophobicContact CE2-CE3 4.15Å; F522-W532 HydrophobicContact CE2-CZ3 4.47Å; F522-W532 AromaticContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CE3 4Å; F522-W532 HydrophobicContact CZ-CZ3 4.4Å; F526-W532 HydrophobicContact CB-CH2 4.3Å; F526-W532 HydrophobicContact CB-CZ3 3.97Å; F526-W532 AromaticContact CD1-CH2 3.95Å; F526-W532 HydrophobicContact CD1-CH2 3.95Å; F526-W532 AromaticContact CD1-CZ3 3.84Å; F526-W532 HydrophobicContact CD1-CZ3 3.84Å; F526-W532 HydrophobicContact CD2-CZ3 4.3Å; F526-W532 HydrophobicContact CE1-CZ3 4.43Å; F526-W532 HydrophobicContact CG-CH2 4.23Å; F526-W532 AromaticContact CG-CZ3 3.77Å; F526-W532 HydrophobicContact CG-CZ3 3.77Å; R529-W532 HydrophobicContact CB-CD2 3.91Å; R529-W532 HydrophobicContact CB-CE3 4.02Å; R529-W532 HydrophobicContact CB-CH2 3.83Å; R529-W532 HydrophobicContact CB-CZ2 3.72Å; R529-W532 HydrophobicContact CB-CZ3 3.99Å; R529-W532 HydrophobicContact CG-CH2 3.86Å; R529-W532 HydrophobicContact CG-CZ2 3.71Å; R529-W532 HydrophobicContact CG-CZ3 4.47Å; R529-W532 PolarHBondContact O-N 2.84Å; R529-W532 VanDerWaalsContact O-N 3.08Å; A530-W532 PolarHBondContact O-N 3.01Å |
| 533 | L | 96.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | trans | -100.5 | 115.3 | 168.8 | -175.4 | 67.4 | 0 | 0 | 0 | 109.1 | Y334 D335 F400 H507 N508 A530 Q531 H535 Y536 | Y334-L533 HydrophobicContact CD2-CD2 4.06Å; Y334-L533 HydrophobicContact CE1-CB 3.86Å; Y334-L533 HydrophobicContact CE1-CD2 4.18Å; Y334-L533 HydrophobicContact CE2-CD2 3.72Å; Y334-L533 HydrophobicContact CG-CD2 4.44Å; Y334-L533 PolarHBondContact OH-O 3.43Å; D335-L533 HydrophobicContact CB-CD1 4.48Å; D335-L533 HydrophobicContact CB-CD2 3.87Å; F400-L533 HydrophobicContact CE1-CD1 3.89Å; F400-L533 HydrophobicContact CZ-CD1 4.44Å; H507-L533 PolarHBondContact NE2-O 3.39Å; N508-L533 PolarHBondContact ND2-O 3.3Å; N508-L533 VanDerWaalsContact ND2-O 3.09Å; A530-L533 PolarHBondContact O-N 2.93Å; A530-L533 VanDerWaalsContact O-O 3.13Å; Q531-L533 PolarHBondContact O-N 3.37Å; L533-H535 WeakPolarHBondContact CD1-O 3.43Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3Å; L533-Y536 HydrophobicContact CD2-CD1 4.47Å | ||
| 534 | S | 95.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | trans | -70.1 | -40.6 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 112 | N508 | N508-S534 PolarHBondContact ND2-O 3.15Å; N508-S534 VanDerWaalsContact ND2-O 3.08Å; N508-S534 PolarHBondContact OD1-O 3.27Å | ||
| 535 | H | 95.3 | Very high | 91.6 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -154.5 | 155.5 | -176.4 | 53.1 | -83.2 | 0 | 0 | 0 | 111 | E396 F400 L533 | E396-H535 VanDerWaalsContact CD-NE2 3.33Å; E396-H535 IonicContact OE1-CE1 3.36Å; E396-H535 IonicContact OE1-NE2 3.09Å; E396-H535 IonicContact OE2-CE1 2.85Å; E396-H535 IonicContact OE2-NE2 3.09Å; E396-H535 PolarHBondContact OE2-NE2 3.03Å; F400-H535 AromaticContact CE2-NE2 3.81Å; F400-H535 AromaticContact CZ-CD2 3.8Å; F400-H535 AromaticContact CZ-NE2 3.74Å; L533-H535 WeakPolarHBondContact CD1-O 3.43Å; L533-H535 VanDerWaalsContact CG-O 3.3Å; L533-H535 WeakPolarHBondContact CG-O 3Å |
| 536 | Y | 94.9 | Very high | 90.6 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | trans | -66.9 | 144.5 | 165.8 | -69 | -77.2 | 0 | 0 | 0 | 110.3 | Y334 D335 I336 N508 L533 M538 | Y334-Y536 AromaticContact CD2-CE1 3.75Å; Y334-Y536 HydrophobicContact CD2-CE1 3.75Å; Y334-Y536 AromaticContact CD2-CZ 3.78Å; Y334-Y536 WeakPolarHBondContact CD2-OH 3.37Å; Y334-Y536 HydrophobicContact CE2-CE1 4.01Å; Y334-Y536 HydrophobicContact CE2-CE2 4.43Å; Y334-Y536 AromaticContact CE2-CZ 3.73Å; Y334-Y536 WeakPolarHBondContact CE2-OH 3.32Å; D335-Y536 WeakPolarHBondContact OD1-CA 3.03Å; I336-Y536 HydrophobicContact CG1-CD1 4.34Å; I336-Y536 HydrophobicContact CG1-CE1 4.32Å; N508-Y536 HydrophobicContact CB-CD2 4.33Å; N508-Y536 HydrophobicContact CB-CE2 3.8Å; N508-Y536 WeakPolarHBondContact O-CE2 3.3Å; N508-Y536 PolarHBondContact O-OH 3.31Å; L533-Y536 HydrophobicContact CD2-CD1 4.47Å; Y536-M538 PolarHBondContact O-N 3.03Å | ||
| 537 | W | 93.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | trans | -65.2 | 125.7 | 170.8 | -173 | 94.7 | 0 | 0 | 0 | 109.3 | D335 T337 Y374 Y376 F400 P547 | D335-W537 PolarHBondContact OD1-N 3.04Å; T337-W537 HydrophobicContact CG2-CD2 4.5Å; T337-W537 HydrophobicContact CG2-CE3 4.18Å; Y374-W537 HydrophobicContact CD1-CH2 4.48Å; Y374-W537 HydrophobicContact CD1-CZ2 4.37Å; Y374-W537 HydrophobicContact CD2-CZ2 4.17Å; Y374-W537 HydrophobicContact CE1-CZ2 4.17Å; Y374-W537 AromaticContact CE2-CZ2 3.98Å; Y374-W537 HydrophobicContact CE2-CZ2 3.98Å; Y374-W537 HydrophobicContact CG-CZ2 4.38Å; Y374-W537 AromaticContact CZ-CZ2 3.98Å; Y376-W537 HydrophobicContact CE1-CH2 4.44Å; Y376-W537 HydrophobicContact CE1-CZ2 4.39Å; F400-W537 HydrophobicContact CD1-CB 3.71Å; F400-W537 HydrophobicContact CD1-CG 4.35Å; F400-W537 HydrophobicContact CD2-CB 4.48Å; F400-W537 AromaticContact CD2-CD1 3.63Å; F400-W537 HydrophobicContact CD2-CG 4.46Å; F400-W537 HydrophobicContact CE1-CB 3.57Å; F400-W537 HydrophobicContact CE1-CG 4.48Å; F400-W537 HydrophobicContact CE2-CB 4.35Å; F400-W537 AromaticContact CE2-CD1 3.95Å; F400-W537 HydrophobicContact CG-CB 4.17Å; F400-W537 AromaticContact CG-CD1 3.75Å; F400-W537 HydrophobicContact CG-CG 4.33Å; F400-W537 HydrophobicContact CZ-CB 3.91Å; W537-P547 HydrophobicContact CE3-CB 3.53Å; W537-P547 HydrophobicContact CE3-CG 4.39Å; W537-P547 HydrophobicContact CZ3-CB 3.75Å; W537-P547 WeakPolarHBondContact O-CB 3.4Å; W537-P547 VanDerWaalsContact O-CG 3.3Å; W537-P547 WeakPolarHBondContact O-CG 3.48Å | ||
| 538 | M | 91.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 30% | 0.296 | 24% | 0.242 | S | C | . | . | trans | -139.7 | 139.5 | -179 | -65.5 | -60.2 | -64.8 | 0 | 0 | 111.1 | Y536 A544 P547 | Y536-M538 PolarHBondContact O-N 3.03Å; M538-A544 HydrophobicContact CE-CB 4.03Å; M538-A544 WeakPolarHBondContact CE-O 3.34Å; M538-P547 HydrophobicContact SD-CB 3.92Å; M538-P547 HydrophobicContact SD-CG 4.02Å | ||
| 539 | P | 90 | Very high | 86.9 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 140.1 | 175.1 | 29.7 | -36.7 | 0 | 0 | 0 | 111.2 | Y376 I542 L552 | Y376-P539 HydrophobicContact CD1-CB 3.5Å; Y376-P539 VanDerWaalsContact CD1-CB 3.5Å; Y376-P539 HydrophobicContact CD2-CB 4.45Å; Y376-P539 HydrophobicContact CE1-CB 4.1Å; Y376-P539 HydrophobicContact CG-CB 3.71Å; P539-I542 HydrophobicContact CG-CB 4.39Å; P539-L552 HydrophobicContact CG-CD1 3.94Å; P539-L552 HydrophobicContact CG-CD2 4.23Å | ||
| 540 | C | 90.1 | Very high | 85.4 | Confident | 36 Ų | 36 | 42 Ų | 42 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 157.6 | 171.3 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | Y376 D389 I542 | Y376-C540 HydrophobicContact CD2-CB 4.14Å; Y376-C540 WeakPolarHBondContact CD2-O 3.42Å; Y376-C540 HydrophobicContact CE2-CB 3.85Å; D389-C540 PolarHBondContact OD1-SG 3.37Å; C540-I542 PolarHBondContact O-N 2.59Å |
| 541 | W | 93 | Very high | 83.6 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 8.6 | 175.6 | -40.5 | -60.9 | 0 | 0 | 0 | 115.8 | Y376 F377 K379 A380 P381 A385 D389 | Y376-W541 AromaticContact CD2-CE3 3.67Å; Y376-W541 HydrophobicContact CD2-CE3 3.67Å; Y376-W541 AromaticContact CD2-CZ3 3.64Å; Y376-W541 HydrophobicContact CD2-CZ3 3.64Å; Y376-W541 HydrophobicContact CE2-CE3 4.12Å; Y376-W541 HydrophobicContact CE2-CH2 4.43Å; Y376-W541 AromaticContact CE2-CZ3 3.7Å; Y376-W541 HydrophobicContact CE2-CZ3 3.7Å; F377-W541 HydrophobicContact CD1-CH2 4.14Å; F377-W541 AromaticContact CD1-CZ3 3.98Å; F377-W541 HydrophobicContact CD1-CZ3 3.98Å; F377-W541 HydrophobicContact CE1-CH2 4.23Å; F377-W541 HydrophobicContact CE1-CZ3 4.38Å; K379-W541 HydrophobicContact CB-CB 4.26Å; A380-W541 HydrophobicContact CB-CE3 4.01Å; A380-W541 HydrophobicContact CB-CH2 3.55Å; A380-W541 HydrophobicContact CB-CZ2 4.07Å; A380-W541 HydrophobicContact CB-CZ3 3.52Å; P381-W541 VanDerWaalsContact CD-CE2 3.4Å; P381-W541 VanDerWaalsContact CD-NE1 3.33Å; A385-W541 HydrophobicContact CB-CZ2 3.95Å; D389-W541 HydrophobicContact CB-CH2 3.86Å; D389-W541 HydrophobicContact CB-CZ2 4.19Å |
| 542 | I | 85.3 | Confident | 82.2 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -123.2 | 124.2 | 174.5 | -54.2 | 178.8 | 0 | 0 | 0 | 108.7 | Y376 K379 P539 C540 A544 L552 I554 | Y376-I542 VanDerWaalsContact CB-CD1 3.43Å; K379-I542 HydrophobicContact CD-CD1 4.1Å; K379-I542 HydrophobicContact CD-CG1 3.79Å; P539-I542 HydrophobicContact CG-CB 4.39Å; C540-I542 PolarHBondContact O-N 2.59Å; I542-A544 HydrophobicContact CG2-CB 4.46Å; I542-A544 PolarHBondContact O-N 2.93Å; I542-A544 VanDerWaalsContact O-N 3.1Å; I542-L552 HydrophobicContact CG2-CD2 3.86Å; I542-I554 HydrophobicContact CD1-CG2 4.16Å |
| 543 | S | 80.9 | Confident | 80.9 | Confident | 134 Ų | 134 | 43.9 Ų | 43.9 | 94% | 0.937 | 25% | 0.25 | S | S | * | . | trans | -74.9 | 99.6 | 171 | -176.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 544 | A | 80.1 | Confident | 79.5 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | trans | -131.2 | 147.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | M538 I542 L552 | M538-A544 HydrophobicContact CE-CB 4.03Å; M538-A544 WeakPolarHBondContact CE-O 3.34Å; I542-A544 HydrophobicContact CG2-CB 4.46Å; I542-A544 PolarHBondContact O-N 2.93Å; I542-A544 VanDerWaalsContact O-N 3.1Å; A544-L552 HydrophobicContact CB-CD2 3.4Å | ||
| 545 | T | 74.1 | Confident | 77.9 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 60% | 0.601 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -102.7 | -18.4 | 171.9 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 546 | D | 77.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -128.9 | 125.3 | 172.4 | -174.4 | -32.7 | 0 | 0 | 0 | 107.6 | R340 S548 T551 | R340-D546 IonicContact CZ-OD1 3.55Å; R340-D546 IonicContact CZ-OD2 2.68Å; R340-D546 IonicContact NH1-OD1 3.96Å; R340-D546 PolarHBondContact NH1-OD1 2.8Å; R340-D546 IonicContact NH1-OD2 2.66Å; R340-D546 PolarHBondContact NH1-OD2 3.49Å; R340-D546 IonicContact NH2-OD1 2.66Å; R340-D546 IonicContact NH2-OD2 3.5Å; R340-D546 PolarHBondContact NH2-OD2 2.74Å; D546-S548 PolarHBondContact O-N 2.8Å; D546-S548 WeakPolarHBondContact OD1-CB 3.43Å; D546-S548 PolarHBondContact OD1-N 2.79Å; D546-T551 HydrophobicContact CB-CG2 3.97Å; D546-T551 PolarHBondContact O-OG1 2.96Å |
| 547 | P | 72 | Confident | 74.4 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | trans | -72.6 | -4.1 | 179.8 | 29.5 | -35.8 | 0 | 0 | 0 | 115 | T337 W537 M538 A549 | T337-P547 WeakPolarHBondContact OG1-CB 3.49Å; T337-P547 WeakPolarHBondContact OG1-CG 3.44Å; W537-P547 HydrophobicContact CE3-CB 3.53Å; W537-P547 HydrophobicContact CE3-CG 4.39Å; W537-P547 HydrophobicContact CZ3-CB 3.75Å; W537-P547 WeakPolarHBondContact O-CB 3.4Å; W537-P547 VanDerWaalsContact O-CG 3.3Å; W537-P547 WeakPolarHBondContact O-CG 3.48Å; M538-P547 HydrophobicContact SD-CB 3.92Å; M538-P547 HydrophobicContact SD-CG 4.02Å; P547-A549 PolarHBondContact O-N 3.17Å | ||
| 548 | S | 67.4 | Low | 72.2 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | trans | -49.5 | 132.8 | 179.5 | -161.4 | 0 | 0 | 0 | 0 | 111.9 | R340 D546 R550 T551 L552 | R340-S548 PolarHBondContact NH1-OG 2.99Å; D546-S548 PolarHBondContact O-N 2.8Å; D546-S548 WeakPolarHBondContact OD1-CB 3.43Å; D546-S548 PolarHBondContact OD1-N 2.79Å; S548-R550 PolarHBondContact O-N 3.28Å; S548-R550 PolarHBondContact OG-N 2.76Å; S548-T551 WeakPolarHBondContact CB-OG1 3.44Å; S548-T551 PolarHBondContact O-N 2.98Å; S548-T551 PolarHBondContact O-OG1 3.27Å; S548-L552 VanDerWaalsContact O-CG 3.29Å; S548-L552 WeakPolarHBondContact O-CG 3.33Å; S548-L552 PolarHBondContact O-N 2.83Å | ||
| 549 | A | 65 | Low | 69.6 | Low | 9 Ų | 9 | 63.2 Ų | 63.2 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -28.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A469 D472 P547 T551 L552 Y555 | A469-A549 HydrophobicContact CB-CB 3.67Å; D472-A549 VanDerWaalsContact OD2-CB 3.25Å; D472-A549 WeakPolarHBondContact OD2-CB 3.46Å; P547-A549 PolarHBondContact O-N 3.17Å; A549-T551 PolarHBondContact O-N 3.19Å; A549-L552 PolarHBondContact O-N 3.43Å; A549-Y555 HydrophobicContact CB-CD1 3.55Å; A549-Y555 HydrophobicContact CB-CD2 3.68Å; A549-Y555 HydrophobicContact CB-CE1 3.59Å; A549-Y555 HydrophobicContact CB-CE2 3.7Å; A549-Y555 HydrophobicContact CB-CG 3.61Å; A549-Y555 WeakPolarHBondContact O-CB 3.41Å; A549-Y555 WeakPolarHBondContact O-CD2 3.48Å |
| 550 | R | 64.4 | Low | 66.9 | Low | 88 Ų | 88 | 71.6 Ų | 71.6 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.9 | 177.2 | -61.3 | -167.6 | 177.2 | -105.1 | -0.6 | 115.9 | D472 S480 S548 | D472-R550 PolarHBondContact O-NH2 3.07Å; D472-R550 VanDerWaalsContact O-NH2 3.1Å; D472-R550 WeakPolarHBondContact OD1-CD 3.39Å; D472-R550 VanDerWaalsContact OD1-CG 3.32Å; D472-R550 WeakPolarHBondContact OD1-CG 3.48Å; D472-R550 IonicContact OD1-CZ 2.82Å; D472-R550 IonicContact OD1-NE 2.89Å; D472-R550 PolarHBondContact OD1-NE 3.2Å; D472-R550 IonicContact OD1-NH2 3.46Å; D472-R550 WeakPolarHBondContact OD2-CG 3.19Å; S480-R550 VanDerWaalsContact CB-NH2 3.3Å; S548-R550 PolarHBondContact O-N 3.28Å; S548-R550 PolarHBondContact OG-N 2.76Å |
| 551 | T | 57.5 | Low | 64.1 | Low | 62 Ų | 62 | 80.6 Ų | 80.6 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -17.8 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | D546 S548 A549 | D546-T551 HydrophobicContact CB-CG2 3.97Å; D546-T551 PolarHBondContact O-OG1 2.96Å; S548-T551 WeakPolarHBondContact CB-OG1 3.44Å; S548-T551 PolarHBondContact O-N 2.98Å; S548-T551 PolarHBondContact O-OG1 3.27Å; A549-T551 PolarHBondContact O-N 3.19Å |
| 552 | L | 66.3 | Low | 62.6 | Low | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -86.5 | 125.3 | -179.3 | -60 | 176.4 | 0 | 0 | 0 | 111.3 | P539 I542 A544 S548 A549 I554 Y555 | P539-L552 HydrophobicContact CG-CD1 3.94Å; P539-L552 HydrophobicContact CG-CD2 4.23Å; I542-L552 HydrophobicContact CG2-CD2 3.86Å; A544-L552 HydrophobicContact CB-CD2 3.4Å; S548-L552 VanDerWaalsContact O-CG 3.29Å; S548-L552 WeakPolarHBondContact O-CG 3.33Å; S548-L552 PolarHBondContact O-N 2.83Å; A549-L552 PolarHBondContact O-N 3.43Å; L552-I554 HydrophobicContact CB-CG2 4.19Å; L552-I554 PolarHBondContact O-N 3.2Å; L552-I554 VanDerWaalsContact O-N 3.07Å; L552-Y555 HydrophobicContact CB-CD2 3.91Å; L552-Y555 HydrophobicContact CB-CE2 4.38Å; L552-Y555 HydrophobicContact CD1-CD2 4.33Å; L552-Y555 HydrophobicContact CD1-CE2 3.96Å; L552-Y555 PolarHBondContact O-N 3.17Å |
| 553 | S | 68.6 | Low | 61.4 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 58% | 0.58 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -58.4 | -25.7 | -179 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | Y555 K556 | S553-Y555 VanDerWaalsContact C-N 3.27Å; S553-Y555 PolarHBondContact O-N 2.87Å; S553-K556 PolarHBondContact O-N 3.02Å |
| 554 | I | 67.3 | Low | 60.3 | Low | 28 Ų | 28 | 79.8 Ų | 79.8 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -68.3 | -21.9 | -177.9 | -166.9 | 161.7 | 0 | 0 | 0 | 113.9 | L375 H378 K379 R466 I542 L552 | L375-I554 HydrophobicContact CB-CD1 4.12Å; L375-I554 HydrophobicContact CB-CG1 4.13Å; L375-I554 HydrophobicContact CB-CG2 4.13Å; L375-I554 WeakPolarHBondContact O-CD1 3.43Å; H378-I554 HydrophobicContact CB-CD1 4.37Å; K379-I554 HydrophobicContact CD-CD1 4.46Å; K379-I554 HydrophobicContact CG-CD1 4.34Å; R466-I554 PolarHBondContact NH2-O 3.37Å; I542-I554 HydrophobicContact CD1-CG2 4.16Å; L552-I554 HydrophobicContact CB-CG2 4.19Å; L552-I554 PolarHBondContact O-N 3.2Å; L552-I554 VanDerWaalsContact O-N 3.07Å |
| 555 | Y | 62.3 | Low | 59.2 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -89.5 | -6.2 | 177.7 | -72.3 | -92.6 | 0 | 0 | 0 | 113.1 | L375 A549 L552 S553 | L375-Y555 HydrophobicContact CB-CE1 4.24Å; L375-Y555 HydrophobicContact CB-CE2 4.12Å; L375-Y555 HydrophobicContact CD1-CD1 3.28Å; L375-Y555 HydrophobicContact CD1-CD2 4.1Å; L375-Y555 HydrophobicContact CD1-CE1 3.28Å; L375-Y555 HydrophobicContact CD1-CE2 4.11Å; L375-Y555 HydrophobicContact CD1-CG 3.71Å; L375-Y555 HydrophobicContact CG-CD1 4.15Å; L375-Y555 HydrophobicContact CG-CE1 3.6Å; L375-Y555 HydrophobicContact CG-CE2 4.37Å; A549-Y555 HydrophobicContact CB-CD1 3.55Å; A549-Y555 HydrophobicContact CB-CD2 3.68Å; A549-Y555 HydrophobicContact CB-CE1 3.59Å; A549-Y555 HydrophobicContact CB-CE2 3.7Å; A549-Y555 HydrophobicContact CB-CG 3.61Å; A549-Y555 WeakPolarHBondContact O-CB 3.41Å; A549-Y555 WeakPolarHBondContact O-CD2 3.48Å; L552-Y555 HydrophobicContact CB-CD2 3.91Å; L552-Y555 HydrophobicContact CB-CE2 4.38Å; L552-Y555 HydrophobicContact CD1-CD2 4.33Å; L552-Y555 HydrophobicContact CD1-CE2 3.96Å; L552-Y555 PolarHBondContact O-N 3.17Å; S553-Y555 VanDerWaalsContact C-N 3.27Å; S553-Y555 PolarHBondContact O-N 2.87Å |
| 556 | K | 62.7 | Low | 58.2 | Low | 139 Ų | 139 | 82.1 Ų | 82.1 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -73.8 | 129.9 | 172 | -67.3 | -178.9 | 179.7 | 178.4 | 0 | 108.1 | S553 D558 | S553-K556 PolarHBondContact O-N 3.02Å; K556-D558 PolarHBondContact O-N 3.05Å |
| 557 | P | 54.3 | Low | 57 | Low | 106 Ų | 106 | 87.1 Ų | 87.1 | 69% | 0.688 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 132.3 | 172.3 | 3.7 | -1.7 | 0 | 0 | 0 | 108.6 | K559 | P557-K559 PolarHBondContact O-N 3.01Š|
| 558 | D | 47.7 | Very low | 55.9 | Low | 112 Ų | 112 | 93 Ų | 93 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -59 | 127.5 | 166.5 | -95.7 | -33.8 | 0 | 0 | 0 | 106.8 | K556 H560 Q561 | K556-D558 PolarHBondContact O-N 3.05Å; D558-H560 PolarHBondContact O-N 3.45Å; D558-Q561 PolarHBondContact O-N 3.42Å |
| 559 | K | 35.6 | Very low | 55 | Low | 203 Ų | 203 | 99.8 Ų | 99.8 | 88% | 0.883 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 7.6 | -179.8 | -71.4 | -173.6 | 175.2 | -176.3 | 0 | 113.8 | P557 | P557-K559 PolarHBondContact O-N 3.01Š|
| 560 | H | 32.7 | Very low | 54.2 | Low | 184 Ų | 184 | 107.3 Ų | 107.3 | 85% | 0.852 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 13.2 | -173.5 | -64.3 | -47.2 | 0 | 0 | 0 | 114 | D558 | D558-H560 PolarHBondContact O-N 3.45Š|
| 561 | Q | 31 | Very low | 53.3 | Low | 225 Ų | 225 | 109.1 Ų | 109.1 | 100% | 1.051 | 55% | 0.547 | S | S | * | . | trans | -110.8 | 0 | 171 | -82.1 | -173.6 | -7 | 0 | 0 | 112.1 | D558 | D558-Q561 PolarHBondContact O-N 3.42Š|
Retrieved 561 of 561 residues in 334.2 ms
(Link to these results)