| 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 | 75.8 | Confident | 95.4 | Very high | 162 Ų | 162 | 27.5 Ų | 27.5 | 80% | 0.798 | 15% | 0.148 | S | C | * | . | 0 | 125.7 | 0 | -172.3 | 179.4 | -65.4 | 0 | 0 | 106.7 | S26 K27 Q29 | M1-S26 VanDerWaalsContact CE-O 3.29Å; M1-S26 WeakPolarHBondContact CE-O 3.09Å; M1-K27 WeakPolarHBondContact CG-O 3.2Å; M1-Q29 HydrophobicContact SD-CB 4.16Å | |||
| 2 | S | 89.4 | Confident | 95.7 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.2 | -176.8 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | A28 Q29 D154 | S2-A28 CarbonylContact O-C 3.55Å; S2-A28 WeakPolarHBondContact O-CA 3.48Å; S2-A28 WeakPolarHBondContact O-CB 3.48Å; S2-Q29 PolarHBondContact O-N 2.86Å; S2-D154 VanDerWaalsContact CA-OD2 3.23Å; S2-D154 WeakPolarHBondContact CA-OD2 3.41Å |
| 3 | R | 95.9 | Very high | 96 | Very high | 58 Ų | 58 | 23.8 Ų | 23.8 | 22% | 0.219 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.2 | 176.6 | -63.5 | -175.9 | 75.6 | -150 | 8.4 | 110 | Q29 E151 K152 F153 D154 A155 | R3-Q29 HydrophobicContact CG-CB 4.44Å; R3-E151 IonicContact CZ-OE2 2.69Å; R3-E151 IonicContact NH1-OE2 2.82Å; R3-E151 IonicContact NH2-OE2 3.82Å; R3-E151 PolarHBondContact NH2-OE2 3.03Å; R3-K152 PolarHBondContact NH1-O 2.94Å; R3-F153 HydrophobicContact CB-CD1 3.88Å; R3-D154 PolarHBondContact N-OD2 3.16Å; R3-D154 PolarHBondContact O-N 2.89Å; R3-A155 PolarHBondContact O-N 3.03Å |
| 4 | V | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.5 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | L20 A28 Q29 L30 V31 A155 V157 L337 | V4-L20 HydrophobicContact CG1-CD1 4.48Å; V4-A28 HydrophobicContact CG2-CB 4.28Å; V4-Q29 PolarHBondContact N-O 3.35Å; V4-L30 HydrophobicContact CB-CD2 3.95Å; V4-L30 HydrophobicContact CG1-CD2 4.49Å; V4-L30 HydrophobicContact CG2-CD2 4.39Å; V4-V31 PolarHBondContact O-N 3.14Å; V4-A155 HydrophobicContact CG1-CB 4.28Å; V4-A155 HydrophobicContact CG2-CB 4.28Å; V4-V157 HydrophobicContact CG1-CG2 4.37Å; V4-L337 HydrophobicContact CG1-CD1 3.85Å |
| 5 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133 | 172 | 179.2 | 64.1 | 0 | 0 | 0 | 110.7 | V7 V31 W33 V144 F153 A155 V156 V157 | L5-V7 HydrophobicContact CD2-CG2 3.74Å; L5-V7 HydrophobicContact CG-CG2 3.92Å; L5-V31 CarbonylContact C-O 3.58Å; L5-V31 WeakPolarHBondContact CA-O 3.46Å; L5-V31 HydrophobicContact CD1-CB 4.29Å; L5-V31 HydrophobicContact CD1-CG1 4.07Å; L5-W33 HydrophobicContact CD1-CB 4.03Å; L5-W33 HydrophobicContact CD1-CD2 3.59Å; L5-W33 HydrophobicContact CD1-CE3 4.03Å; L5-W33 HydrophobicContact CD1-CG 3.58Å; L5-W33 HydrophobicContact CD2-CD2 4.3Å; L5-W33 HydrophobicContact CD2-CE3 3.88Å; L5-W33 HydrophobicContact CD2-CZ3 4.17Å; L5-V144 HydrophobicContact CD2-CB 4.03Å; L5-V144 HydrophobicContact CD2-CG1 3.65Å; L5-V144 HydrophobicContact CD2-CG2 3.79Å; L5-F153 HydrophobicContact CB-CB 4.21Å; L5-F153 HydrophobicContact CB-CD1 3.58Å; L5-F153 HydrophobicContact CB-CD2 3.95Å; L5-F153 HydrophobicContact CB-CE1 3.84Å; L5-F153 HydrophobicContact CB-CE2 4.17Å; L5-F153 HydrophobicContact CB-CG 3.63Å; L5-F153 HydrophobicContact CB-CZ 4.12Å; L5-F153 HydrophobicContact CD1-CE1 4.2Å; L5-F153 HydrophobicContact CD1-CE2 4.35Å; L5-F153 HydrophobicContact CD1-CZ 3.96Å; L5-F153 HydrophobicContact CD2-CD2 3.97Å; L5-F153 HydrophobicContact CD2-CE2 3.83Å; L5-F153 HydrophobicContact CD2-CZ 4.27Å; L5-F153 HydrophobicContact CG-CD2 4.49Å; L5-F153 HydrophobicContact CG-CE1 4.49Å; L5-F153 HydrophobicContact CG-CE2 4.34Å; L5-F153 HydrophobicContact CG-CZ 4.34Å; L5-A155 PolarHBondContact N-O 3.17Å; L5-V156 HydrophobicContact CB-CG2 4.32Å; L5-V156 CarbonylContact O-C 3.59Å; L5-V156 WeakPolarHBondContact O-CA 3.33Å; L5-V157 PolarHBondContact O-N 3.06Å |
| 6 | I | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.7 | 165.8 | -59.3 | 162.1 | 0 | 0 | 0 | 108.2 | C16 A17 L20 V31 V32 W33 V157 T159 | I6-C16 HydrophobicContact CD1-CB 4.26Å; I6-A17 HydrophobicContact CD1-CB 3.59Å; I6-L20 HydrophobicContact CD1-CD1 4.31Å; I6-V31 PolarHBondContact N-O 3.49Å; I6-V32 HydrophobicContact CB-CG2 4.31Å; I6-V32 HydrophobicContact CD1-CG2 4.46Å; I6-V32 WeakPolarHBondContact O-CA 3.42Å; I6-W33 PolarHBondContact O-N 3.43Å; I6-V157 CarbonylContact C-O 3.52Å; I6-V157 WeakPolarHBondContact CA-O 3.36Å; I6-V157 HydrophobicContact CB-CB 4.48Å; I6-V157 HydrophobicContact CG1-CB 4.05Å; I6-V157 HydrophobicContact CG1-CG2 4.25Å; I6-T159 HydrophobicContact CG2-CG2 4.33Å |
| 7 | V | 98.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | L5 V132 V156 V157 L158 T159 I160 | L5-V7 HydrophobicContact CD2-CG2 3.74Å; L5-V7 HydrophobicContact CG-CG2 3.92Å; V7-V132 HydrophobicContact CG1-CB 4.09Å; V7-V132 HydrophobicContact CG1-CG2 3.75Å; V7-V132 HydrophobicContact CG2-CG2 3.93Å; V7-V156 HydrophobicContact CG2-CG1 4.3Å; V7-V157 PolarHBondContact N-O 3.05Å; V7-L158 HydrophobicContact CB-CD2 3.78Å; V7-L158 HydrophobicContact CG1-CD2 4.45Å; V7-L158 HydrophobicContact CG2-CD2 3.62Å; V7-T159 PolarHBondContact O-N 2.86Å; V7-T159 PolarHBondContact O-OG1 2.85Å; V7-I160 HydrophobicContact CG1-CD1 4.42Å; V7-I160 HydrophobicContact CG1-CG2 3.98Å |
| 8 | G | 98.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | trans | 111.5 | 113.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G10 W33 T159 | G8-G10 PolarHBondContact O-N 3.21Å; G8-W33 PolarHBondContact N-O 3.47Å; G8-T159 PolarHBondContact O-OG1 3.24Å | ||
| 9 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -90.5 | 45.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V32 D34 A39 G40 V115 L119 L126 | A9-V32 HydrophobicContact CB-CG1 3.95Å; A9-D34 WeakPolarHBondContact CA-OD2 3.44Å; A9-D34 HydrophobicContact CB-CB 3.69Å; A9-D34 PolarHBondContact N-OD2 3.09Å; A9-A39 HydrophobicContact CB-CB 3.95Å; A9-G40 PolarHBondContact O-N 3.43Å; A9-V115 WeakPolarHBondContact O-CG1 3.21Å; A9-L119 HydrophobicContact CB-CD1 4.27Å; A9-L126 HydrophobicContact CB-CD1 3.95Å | ||
| 10 | G | 98.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 16.5 Ų | 16.5 | 17% | 0.165 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -94.3 | -175.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | G8 T12 G13 S14 | G8-G10 PolarHBondContact O-N 3.21Å; G10-T12 PolarHBondContact O-N 2.82Å; G10-G13 PolarHBondContact O-N 2.87Å; G10-S14 WeakPolarHBondContact O-CB 3.28Å; G10-S14 PolarHBondContact O-N 2.89Å; G10-S14 PolarHBondContact O-OG 3.36Å |
| 11 | L | 98.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.1 | -54.5 | -178.7 | 179.6 | 60.7 | 0 | 0 | 0 | 112.5 | G13 S14 L15 M43 V114 V115 F118 F323 C326 | L11-G13 PolarHBondContact O-N 2.77Å; L11-S14 PolarHBondContact O-N 2.81Å; L11-S14 PolarHBondContact O-OG 2.82Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-M43 HydrophobicContact CB-SD 3.81Å; L11-M43 HydrophobicContact CD1-SD 4.3Å; L11-M43 HydrophobicContact CD2-SD 3.62Å; L11-M43 HydrophobicContact CG-SD 4.11Å; L11-V114 HydrophobicContact CD1-CG1 4.03Å; L11-V115 HydrophobicContact CB-CG2 4.34Å; L11-F118 HydrophobicContact CD1-CD2 4.2Å; L11-F118 HydrophobicContact CD1-CE2 3.97Å; L11-F323 HydrophobicContact CD1-CD2 4.23Å; L11-F323 HydrophobicContact CD1-CE2 4.09Å; L11-F323 HydrophobicContact CD2-CB 4.36Å; L11-F323 HydrophobicContact CD2-CD2 3.49Å; L11-F323 VanDerWaalsContact CD2-CD2 3.49Å; L11-F323 HydrophobicContact CD2-CE2 4.14Å; L11-F323 HydrophobicContact CD2-CG 4.23Å; L11-C326 HydrophobicContact CB-CB 4.21Å; L11-C326 HydrophobicContact CD2-CB 3.45Å; L11-C326 VanDerWaalsContact CD2-CB 3.45Å; L11-C326 HydrophobicContact CG-CB 3.73Å |
| 12 | T | 98.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 179.4 | -50 | 0 | 0 | 0 | 0 | 112.1 | G10 L15 C16 T159 C326 A330 | G10-T12 PolarHBondContact O-N 2.82Å; T12-L15 PolarHBondContact O-N 2.86Å; T12-C16 WeakPolarHBondContact O-CB 3.47Å; T12-C16 PolarHBondContact O-N 3.33Å; T12-C16 PolarHBondContact O-SG 2.76Å; T12-T159 HydrophobicContact CG2-CG2 4.12Å; T12-C326 WeakPolarHBondContact OG1-CB 3.29Å; T12-A330 HydrophobicContact CG2-CB 4.16Å |
| 13 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G10 L11 C16 A17 | G10-G13 PolarHBondContact O-N 2.87Å; L11-G13 PolarHBondContact O-N 2.77Å; G13-C16 WeakPolarHBondContact O-CB 3.5Å; G13-C16 PolarHBondContact O-N 2.73Å; G13-A17 PolarHBondContact O-N 3.27Å |
| 14 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | G10 L11 A17 C18 V115 | G10-S14 WeakPolarHBondContact O-CB 3.28Å; G10-S14 PolarHBondContact O-N 2.89Å; G10-S14 PolarHBondContact O-OG 3.36Å; L11-S14 PolarHBondContact O-N 2.81Å; L11-S14 PolarHBondContact O-OG 2.82Å; S14-A17 WeakPolarHBondContact O-CB 3.48Å; S14-A17 PolarHBondContact O-N 2.76Å; S14-C18 PolarHBondContact O-N 3Å; S14-V115 WeakPolarHBondContact CB-O 3.43Å |
| 15 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 177.8 | -177.1 | 57.5 | 0 | 0 | 0 | 111.6 | L11 T12 A17 C18 L19 F76 F118 V327 A330 | L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 3.49Å; T12-L15 PolarHBondContact O-N 2.86Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 2.94Å; L15-C18 PolarHBondContact O-N 3.49Å; L15-L19 HydrophobicContact CD1-CD1 4.24Å; L15-L19 HydrophobicContact CD1-CD2 4.46Å; L15-L19 HydrophobicContact CD1-CG 4Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.22Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-F76 HydrophobicContact CD1-CD1 4.3Å; L15-F76 HydrophobicContact CD1-CE1 3.88Å; L15-F76 HydrophobicContact CD2-CE1 4.38Å; L15-F118 HydrophobicContact CB-CD2 4.15Å; L15-F118 HydrophobicContact CB-CE2 4.44Å; L15-F118 HydrophobicContact CD1-CD1 4.03Å; L15-F118 HydrophobicContact CD1-CD2 4.21Å; L15-F118 HydrophobicContact CD1-CE1 3.9Å; L15-F118 HydrophobicContact CD1-CE2 4.07Å; L15-F118 HydrophobicContact CD1-CG 4.2Å; L15-F118 HydrophobicContact CD1-CZ 3.91Å; L15-V327 HydrophobicContact CD2-CB 4.14Å; L15-V327 HydrophobicContact CD2-CG1 4.31Å; L15-V327 HydrophobicContact CD2-CG2 3.76Å; L15-A330 HydrophobicContact CB-CB 3.98Å; L15-A330 HydrophobicContact CD2-CB 3.82Å; L15-A330 HydrophobicContact CG-CB 3.79Å |
| 16 | C | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.5 | -49 | 169.9 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | I6 T12 G13 C18 L19 L20 A330 | I6-C16 HydrophobicContact CD1-CB 4.26Å; T12-C16 WeakPolarHBondContact O-CB 3.47Å; T12-C16 PolarHBondContact O-N 3.33Å; T12-C16 PolarHBondContact O-SG 2.76Å; G13-C16 WeakPolarHBondContact O-CB 3.5Å; G13-C16 PolarHBondContact O-N 2.73Å; C16-C18 VanDerWaalsContact C-N 3.35Å; C16-C18 PolarHBondContact O-N 2.84Å; C16-L19 PolarHBondContact O-N 3.49Å; C16-L20 VanDerWaalsContact O-CB 3.27Å; C16-L20 WeakPolarHBondContact O-CB 3.48Å; C16-L20 WeakPolarHBondContact O-CG 3.2Å; C16-L20 PolarHBondContact O-N 2.84Å; C16-A330 VanDerWaalsContact SG-CA 3.54Å |
| 17 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I6 G13 S14 L15 L20 K21 L30 V32 S122 A124 | I6-A17 HydrophobicContact CD1-CB 3.59Å; G13-A17 PolarHBondContact O-N 3.27Å; S14-A17 WeakPolarHBondContact O-CB 3.48Å; S14-A17 PolarHBondContact O-N 2.76Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 2.94Å; A17-L20 PolarHBondContact O-N 2.83Å; A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 PolarHBondContact O-N 2.8Å; A17-L30 VanDerWaalsContact O-CD1 3.25Å; A17-L30 WeakPolarHBondContact O-CD1 3.18Å; A17-V32 HydrophobicContact CB-CG2 4.12Å; A17-S122 WeakPolarHBondContact O-CB 3.36Å; A17-A124 HydrophobicContact CB-CB 4.44Å |
| 18 | C | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 178.3 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | S14 L15 C16 K21 R22 F118 | S14-C18 PolarHBondContact O-N 3Å; L15-C18 PolarHBondContact O-N 3.49Å; C16-C18 VanDerWaalsContact C-N 3.35Å; C16-C18 PolarHBondContact O-N 2.84Å; C18-K21 WeakPolarHBondContact O-CB 3.33Å; C18-K21 PolarHBondContact O-N 2.91Å; C18-R22 WeakPolarHBondContact O-CG 3.39Å; C18-R22 PolarHBondContact O-N 2.93Å; C18-R22 VanDerWaalsContact O-N 3.16Å; C18-F118 HydrophobicContact CB-CB 4.01Å; C18-F118 HydrophobicContact CB-CD1 4.24Å; C18-F118 HydrophobicContact CB-CG 4.46Å |
| 19 | L | 98.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 179.5 | -68.8 | 176.2 | 0 | 0 | 0 | 111.8 | L15 C16 K21 R22 V23 F76 A330 L331 C334 | L15-L19 HydrophobicContact CD1-CD1 4.24Å; L15-L19 HydrophobicContact CD1-CD2 4.46Å; L15-L19 HydrophobicContact CD1-CG 4Å; L15-L19 HydrophobicContact CG-CD1 4Å; L15-L19 HydrophobicContact CG-CG 4.22Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.77Å; C16-L19 PolarHBondContact O-N 3.49Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 2.88Å; L19-R22 WeakPolarHBondContact O-CB 3.18Å; L19-R22 PolarHBondContact O-N 2.81Å; L19-V23 PolarHBondContact O-N 2.96Å; L19-F76 HydrophobicContact CD2-CE1 4.22Å; L19-F76 HydrophobicContact CD2-CZ 4.35Å; L19-A330 HydrophobicContact CD1-CB 4.28Å; L19-L331 HydrophobicContact CD1-CD2 3.97Å; L19-L331 HydrophobicContact CD1-CG 4.35Å; L19-C334 HydrophobicContact CB-CB 4.19Å; L19-C334 HydrophobicContact CD1-CB 4.41Å |
| 20 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 175.3 | -73 | 176.1 | 0 | 0 | 0 | 111.6 | V4 I6 C16 A17 R22 V23 L24 L30 C334 L337 | V4-L20 HydrophobicContact CG1-CD1 4.48Å; I6-L20 HydrophobicContact CD1-CD1 4.31Å; C16-L20 VanDerWaalsContact O-CB 3.27Å; C16-L20 WeakPolarHBondContact O-CB 3.48Å; C16-L20 WeakPolarHBondContact O-CG 3.2Å; C16-L20 PolarHBondContact O-N 2.84Å; A17-L20 PolarHBondContact O-N 2.83Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.01Å; L20-V23 PolarHBondContact O-N 2.84Å; L20-L24 HydrophobicContact CB-CD1 4.4Å; L20-L24 HydrophobicContact CD2-CD1 4.18Å; L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 3.09Å; L20-L30 HydrophobicContact CB-CD1 4.02Å; L20-L30 HydrophobicContact CB-CD2 4.15Å; L20-L30 HydrophobicContact CD1-CD2 4.37Å; L20-C334 HydrophobicContact CD2-CB 4.47Å; L20-L337 HydrophobicContact CD1-CD1 4.05Å; L20-L337 HydrophobicContact CD2-CB 4.2Å; L20-L337 HydrophobicContact CD2-CD1 4.38Å; L20-L337 HydrophobicContact CD2-CD2 3.69Å; L20-L337 HydrophobicContact CD2-CG 4.29Å |
| 21 | K | 95.6 | Very high | 94.7 | Very high | 85 Ų | 85 | 35.4 Ų | 35.4 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 173.8 | 179.8 | 59.6 | 175.5 | -179.5 | 0 | 111.6 | A17 C18 L19 V23 Q25 L30 S122 | A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 PolarHBondContact O-N 2.8Å; C18-K21 WeakPolarHBondContact O-CB 3.33Å; C18-K21 PolarHBondContact O-N 2.91Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 2.88Å; K21-V23 VanDerWaalsContact C-N 3.29Å; K21-V23 PolarHBondContact O-N 2.96Å; K21-Q25 PolarHBondContact NZ-O 2.96Å; K21-Q25 VanDerWaalsContact O-CA 3.31Å; K21-Q25 WeakPolarHBondContact O-CA 3.5Å; K21-Q25 PolarHBondContact O-N 2.82Å; K21-L30 HydrophobicContact CB-CD1 4.05Å; K21-S122 WeakPolarHBondContact CB-O 3.11Å; K21-S122 WeakPolarHBondContact CD-O 3.36Å; K21-S122 VanDerWaalsContact CG-O 3.24Å; K21-S122 WeakPolarHBondContact CG-O 3.45Å |
| 22 | R | 94.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 34.9 Ų | 34.9 | 41% | 0.411 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 179.3 | -68.7 | 170.8 | -174.8 | -177.6 | 0.3 | 112.1 | C18 L19 L20 E79 | C18-R22 WeakPolarHBondContact O-CG 3.39Å; C18-R22 PolarHBondContact O-N 2.93Å; C18-R22 VanDerWaalsContact O-N 3.16Å; L19-R22 WeakPolarHBondContact O-CB 3.18Å; L19-R22 PolarHBondContact O-N 2.81Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.01Å; R22-E79 IonicContact CZ-OE2 2.87Å; R22-E79 IonicContact NH1-OE2 3.16Å; R22-E79 PolarHBondContact NH1-OE2 2.88Å; R22-E79 VanDerWaalsContact NH2-CD 3.26Å; R22-E79 IonicContact NH2-OE1 3.31Å; R22-E79 PolarHBondContact NH2-OE1 3.37Å; R22-E79 IonicContact NH2-OE2 3.52Å; R22-E79 PolarHBondContact NH2-OE2 3.17Å |
| 23 | V | 91.7 | Very high | 94.7 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 47% | 0.473 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -94.9 | -37.8 | -175.5 | -177.6 | 0 | 0 | 0 | 0 | 114 | L19 L20 K21 Q338 | L19-V23 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 2.84Å; K21-V23 VanDerWaalsContact C-N 3.29Å; K21-V23 PolarHBondContact O-N 2.96Å; V23-Q338 HydrophobicContact CB-CG 4.34Å; V23-Q338 VanDerWaalsContact CG1-CD 3.5Å; V23-Q338 HydrophobicContact CG1-CG 3.76Å; V23-Q338 VanDerWaalsContact CG1-NE2 3.28Å |
| 24 | L | 87.5 | Confident | 94.7 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -85.8 | -19.3 | -179.8 | -56.2 | -177.2 | 0 | 0 | 0 | 112.8 | L20 S26 K27 A28 L337 L341 | L20-L24 HydrophobicContact CB-CD1 4.4Å; L20-L24 HydrophobicContact CD2-CD1 4.18Å; L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 3.09Å; L24-S26 PolarHBondContact O-N 2.93Å; L24-K27 VanDerWaalsContact O-CB 3.24Å; L24-K27 WeakPolarHBondContact O-CB 3.37Å; L24-K27 WeakPolarHBondContact O-CG 3.48Å; L24-K27 PolarHBondContact O-N 3.36Å; L24-A28 HydrophobicContact CB-CB 4.38Å; L24-A28 HydrophobicContact CD1-CB 3.8Å; L24-L337 HydrophobicContact CD1-CD2 4.03Å; L24-L341 HydrophobicContact CD1-CD1 3.67Å; L24-L341 HydrophobicContact CD2-CD1 3.49Å; L24-L341 VanDerWaalsContact CD2-CD1 3.49Å; L24-L341 HydrophobicContact CG-CD1 4.24Å |
| 25 | Q | 85.3 | Confident | 94.7 | Very high | 128 Ų | 128 | 40.5 Ų | 40.5 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -102 | 179.7 | -59.9 | 179.4 | -16.6 | 0 | 0 | 112.8 | K21 | K21-Q25 PolarHBondContact NZ-O 2.96Å; K21-Q25 VanDerWaalsContact O-CA 3.31Å; K21-Q25 WeakPolarHBondContact O-CA 3.5Å; K21-Q25 PolarHBondContact O-N 2.82Å |
| 26 | S | 82.6 | Confident | 94.6 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 61% | 0.608 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 4.1 | 178.3 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | M1 L24 A28 | M1-S26 VanDerWaalsContact CE-O 3.29Å; M1-S26 WeakPolarHBondContact CE-O 3.09Å; L24-S26 PolarHBondContact O-N 2.93Å; S26-A28 VanDerWaalsContact C-N 3.33Å; S26-A28 PolarHBondContact O-N 2.92Å |
| 27 | K | 85.7 | Confident | 94.5 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -73.7 | -23.5 | -177.7 | -62.5 | -179.4 | 178.2 | -176.9 | 0 | 113.2 | M1 L24 | M1-K27 WeakPolarHBondContact CG-O 3.2Å; L24-K27 VanDerWaalsContact O-CB 3.24Å; L24-K27 WeakPolarHBondContact O-CB 3.37Å; L24-K27 WeakPolarHBondContact O-CG 3.48Å; L24-K27 PolarHBondContact O-N 3.36Å |
| 28 | A | 90.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2 V4 L24 S26 | S2-A28 CarbonylContact O-C 3.55Å; S2-A28 WeakPolarHBondContact O-CA 3.48Å; S2-A28 WeakPolarHBondContact O-CB 3.48Å; V4-A28 HydrophobicContact CG2-CB 4.28Å; L24-A28 HydrophobicContact CB-CB 4.38Å; L24-A28 HydrophobicContact CD1-CB 3.8Å; S26-A28 VanDerWaalsContact C-N 3.33Å; S26-A28 PolarHBondContact O-N 2.92Å |
| 29 | Q | 95.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 54 Ų | 54 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.9 | 165.9 | -176.9 | -175.1 | 16.7 | 0 | 0 | 108.4 | M1 S2 R3 V4 V31 D125 | M1-Q29 HydrophobicContact SD-CB 4.16Å; S2-Q29 PolarHBondContact O-N 2.86Å; R3-Q29 HydrophobicContact CG-CB 4.44Å; V4-Q29 PolarHBondContact N-O 3.35Å; Q29-V31 HydrophobicContact CG-CG2 4.29Å; Q29-D125 PolarHBondContact NE2-OD2 3.29Å |
| 30 | L | 97.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.3 | 176.6 | -58.4 | -179.1 | 0 | 0 | 0 | 109.6 | V4 A17 L20 K21 A124 D125 | V4-L30 HydrophobicContact CB-CD2 3.95Å; V4-L30 HydrophobicContact CG1-CD2 4.49Å; V4-L30 HydrophobicContact CG2-CD2 4.39Å; A17-L30 VanDerWaalsContact O-CD1 3.25Å; A17-L30 WeakPolarHBondContact O-CD1 3.18Å; L20-L30 HydrophobicContact CB-CD1 4.02Å; L20-L30 HydrophobicContact CB-CD2 4.15Å; L20-L30 HydrophobicContact CD1-CD2 4.37Å; K21-L30 HydrophobicContact CB-CD1 4.05Å; L30-A124 HydrophobicContact CB-CB 3.7Å; L30-A124 WeakPolarHBondContact O-CA 3.36Å; L30-A124 WeakPolarHBondContact O-CB 3.43Å; L30-D125 PolarHBondContact O-N 2.84Å |
| 31 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.1 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | V4 L5 I6 Q29 W33 D125 Y127 F153 | V4-V31 PolarHBondContact O-N 3.14Å; L5-V31 CarbonylContact C-O 3.58Å; L5-V31 WeakPolarHBondContact CA-O 3.46Å; L5-V31 HydrophobicContact CD1-CB 4.29Å; L5-V31 HydrophobicContact CD1-CG1 4.07Å; I6-V31 PolarHBondContact N-O 3.49Å; Q29-V31 HydrophobicContact CG-CG2 4.29Å; V31-W33 VanDerWaalsContact CG1-NE1 3.3Å; V31-D125 WeakPolarHBondContact CA-O 3.23Å; V31-D125 HydrophobicContact CG2-CB 4.44Å; V31-Y127 HydrophobicContact CG1-CD2 3.81Å; V31-Y127 HydrophobicContact CG1-CE2 3.82Å; V31-F153 HydrophobicContact CB-CE1 3.85Å; V31-F153 HydrophobicContact CB-CZ 4.49Å; V31-F153 HydrophobicContact CG1-CE1 4.14Å; V31-F153 HydrophobicContact CG1-CZ 4.3Å; V31-F153 HydrophobicContact CG2-CE1 3.91Å |
| 32 | V | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.4 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | I6 A9 A17 L119 A124 D125 L126 Y127 | I6-V32 HydrophobicContact CB-CG2 4.31Å; I6-V32 HydrophobicContact CD1-CG2 4.46Å; I6-V32 WeakPolarHBondContact O-CA 3.42Å; A9-V32 HydrophobicContact CB-CG1 3.95Å; A17-V32 HydrophobicContact CB-CG2 4.12Å; V32-L119 HydrophobicContact CB-CD2 4.36Å; V32-L119 HydrophobicContact CG1-CD2 4.16Å; V32-L119 HydrophobicContact CG2-CD2 4.02Å; V32-A124 HydrophobicContact CG2-CB 3.87Å; V32-D125 PolarHBondContact N-O 3.17Å; V32-L126 HydrophobicContact CB-CD1 3.95Å; V32-L126 HydrophobicContact CG1-CD1 3.84Å; V32-L126 WeakPolarHBondContact O-CA 3.37Å; V32-Y127 PolarHBondContact O-N 2.8Å |
| 33 | W | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.7 | 175.4 | -70.1 | -3 | 0 | 0 | 0 | 111 | L5 I6 G8 V31 Y127 Y130 V132 V144 R146 E151 F153 | L5-W33 HydrophobicContact CD1-CB 4.03Å; L5-W33 HydrophobicContact CD1-CD2 3.59Å; L5-W33 HydrophobicContact CD1-CE3 4.03Å; L5-W33 HydrophobicContact CD1-CG 3.58Å; L5-W33 HydrophobicContact CD2-CD2 4.3Å; L5-W33 HydrophobicContact CD2-CE3 3.88Å; L5-W33 HydrophobicContact CD2-CZ3 4.17Å; I6-W33 PolarHBondContact O-N 3.43Å; G8-W33 PolarHBondContact N-O 3.47Å; V31-W33 VanDerWaalsContact CG1-NE1 3.3Å; W33-Y127 WeakPolarHBondContact CA-O 3.49Å; W33-Y127 AromaticContact CD1-CD2 3.61Å; W33-Y127 AromaticContact CD1-CG 3.97Å; W33-Y127 AromaticContact NE1-CD2 3.45Å; W33-Y127 AromaticContact NE1-CG 3.89Å; W33-Y130 AromaticContact CD1-CD1 3.85Å; W33-Y130 AromaticContact CD2-CD1 3.78Å; W33-Y130 HydrophobicContact CD2-CD1 3.78Å; W33-Y130 AromaticContact CE2-CD1 3.55Å; W33-Y130 HydrophobicContact CE3-CD1 4.41Å; W33-Y130 AromaticContact CG-CD1 3.97Å; W33-Y130 HydrophobicContact CG-CD1 3.97Å; W33-Y130 HydrophobicContact CG-CG 4.39Å; W33-Y130 HydrophobicContact CZ2-CD1 4.01Å; W33-Y130 HydrophobicContact CZ2-CE1 4.25Å; W33-Y130 AromaticContact NE1-CD1 3.57Å; W33-Y130 AromaticContact NE1-CE1 4Å; W33-V132 HydrophobicContact CE3-CG2 3.64Å; W33-V132 HydrophobicContact CZ3-CG2 4.26Å; W33-V144 HydrophobicContact CE3-CG1 4.32Å; W33-V144 HydrophobicContact CZ3-CB 4.17Å; W33-V144 HydrophobicContact CZ3-CG1 3.77Å; W33-R146 HydrophobicContact CZ3-CB 4.29Å; W33-R146 HydrophobicContact CZ3-CG 4.34Å; W33-E151 HydrophobicContact CH2-CB 3.9Å; W33-E151 HydrophobicContact CH2-CG 4.12Å; W33-E151 HydrophobicContact CZ2-CB 4.16Å; W33-E151 HydrophobicContact CZ2-CG 4.15Å; W33-E151 WeakPolarHBondContact CZ2-OE1 3.34Å; W33-F153 AromaticContact CH2-CE2 3.65Å; W33-F153 HydrophobicContact CH2-CE2 3.65Å; W33-F153 AromaticContact CH2-CZ 3.96Å; W33-F153 HydrophobicContact CH2-CZ 3.96Å; W33-F153 AromaticContact CZ2-CE2 3.79Å; W33-F153 HydrophobicContact CZ2-CE2 3.79Å; W33-F153 AromaticContact CZ2-CZ 3.56Å; W33-F153 HydrophobicContact CZ2-CZ 3.56Å; W33-F153 HydrophobicContact CZ3-CE2 4.21Å |
| 34 | D | 98.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -132.7 | 140.9 | 170.7 | -159.1 | -63.6 | 0 | 0 | 0 | 110.9 | A9 A36 Y127 L128 E129 Y130 | A9-D34 WeakPolarHBondContact CA-OD2 3.44Å; A9-D34 HydrophobicContact CB-CB 3.69Å; A9-D34 PolarHBondContact N-OD2 3.09Å; D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.12Å; D34-A36 VanDerWaalsContact OD1-CB 3.25Å; D34-A36 WeakPolarHBondContact OD1-CB 3.48Å; D34-A36 PolarHBondContact OD1-N 3.28Å; D34-Y127 PolarHBondContact N-O 3.2Å; D34-L128 HydrophobicContact CB-CD2 4.08Å; D34-L128 CarbonylContact O-C 3.53Å; D34-L128 WeakPolarHBondContact O-CA 3.25Å; D34-E129 PolarHBondContact O-N 3.23Å; D34-Y130 CarbonylContact C-O 3.51Å; D34-Y130 PolarHBondContact O-N 3.03Å | ||
| 35 | K | 98.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 46% | 0.461 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -73.7 | -17.3 | 177.6 | 68.2 | 179.8 | 179.7 | 62 | 0 | 113.5 | H131 | K35-H131 HydrophobicContact CB-CB 3.69Š|
| 36 | A | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -83.6 | 162.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D34 G38 L128 E129 | D34-A36 VanDerWaalsContact C-N 3.27Å; D34-A36 PolarHBondContact O-N 3.12Å; D34-A36 VanDerWaalsContact OD1-CB 3.25Å; D34-A36 WeakPolarHBondContact OD1-CB 3.48Å; D34-A36 PolarHBondContact OD1-N 3.28Å; A36-G38 PolarHBondContact O-N 3.11Å; A36-L128 WeakPolarHBondContact O-CB 3.32Å; A36-E129 PolarHBondContact O-N 2.93Å |
| 37 | R | 96.2 | Very high | 96.6 | Very high | 197 Ų | 197 | 46.8 Ų | 46.8 | 74% | 0.743 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -73.7 | -0.3 | 174 | -66.6 | -175.2 | -68.2 | 174.7 | -3.6 | 114.1 | E129 | R37-E129 HydrophobicContact CG-CG 3.89Å; R37-E129 WeakPolarHBondContact CG-OE1 3.42Å |
| 38 | G | 96.6 | Very high | 97 | Very high | 36 Ų | 36 | 42 Ų | 42 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -166.1 | 150.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A36 | A36-G38 PolarHBondContact O-N 3.11Š|
| 39 | A | 97.6 | Very high | 97 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -74.2 | 156.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A9 V115 L119 | A9-A39 HydrophobicContact CB-CB 3.95Å; A39-V115 HydrophobicContact CB-CG1 4.26Å; A39-L119 HydrophobicContact CB-CD1 3.55Å |
| 40 | G | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | 131.7 | -33.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A9 R42 M43 | A9-G40 PolarHBondContact O-N 3.43Å; G40-R42 PolarHBondContact O-N 3.29Å; G40-M43 CarbonylContact O-C 3.57Å; G40-M43 WeakPolarHBondContact O-CA 3.41Å; G40-M43 WeakPolarHBondContact O-CB 3.35Å; G40-M43 PolarHBondContact O-N 3.13Å | ||
| 41 | G | 97.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | 53.8 | -121.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M43 S44 W287 | G41-M43 PolarHBondContact O-N 2.92Å; G41-S44 VanDerWaalsContact O-CB 3.24Å; G41-S44 WeakPolarHBondContact O-CB 3.45Å; G41-S44 PolarHBondContact O-N 3.39Å; G41-S44 PolarHBondContact O-OG 3.33Å; G41-W287 VanDerWaalsContact O-CH2 3.26Å; G41-W287 WeakPolarHBondContact O-CH2 3.45Å |
| 42 | R | 98.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -74.5 | 0.3 | 175 | -75.1 | 173 | -79.6 | 176.1 | 2.4 | 114.6 | G40 G59 A60 W287 Y289 S290 D316 | G40-R42 PolarHBondContact O-N 3.29Å; R42-G59 CarbonylContact O-C 3.52Å; R42-G59 VanDerWaalsContact O-CA 3.23Å; R42-G59 WeakPolarHBondContact O-CA 3.46Å; R42-A60 PolarHBondContact O-N 2.87Å; R42-W287 HydrophobicContact CG-CE3 3.87Å; R42-W287 HydrophobicContact CG-CH2 4.47Å; R42-W287 HydrophobicContact CG-CZ3 3.82Å; R42-Y289 WeakPolarHBondContact CD-O 3.36Å; R42-S290 WeakPolarHBondContact CD-O 3.32Å; R42-S290 PolarHBondContact NH1-O 3.38Å; R42-D316 IonicContact CZ-OD1 2.81Å; R42-D316 IonicContact CZ-OD2 3.67Å; R42-D316 VanDerWaalsContact CZ-OD2 3.28Å; R42-D316 IonicContact NH1-OD1 3.9Å; R42-D316 IonicContact NH1-OD2 3.16Å; R42-D316 PolarHBondContact NH1-OD2 3.38Å; R42-D316 IonicContact NH2-OD1 3.77Å; R42-D316 PolarHBondContact NH2-OD1 3.44Å; R42-D316 IonicContact NH2-OD2 2.74Å; R42-D316 PolarHBondContact NH2-OD2 2.97Å |
| 43 | M | 98.1 | Very high | 96 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -112.6 | 39.4 | 166.8 | -64.9 | -175.7 | 66.7 | 0 | 0 | 110.1 | L11 G40 G41 A60 I63 T111 S112 V114 V115 | L11-M43 HydrophobicContact CB-SD 3.81Å; L11-M43 HydrophobicContact CD1-SD 4.3Å; L11-M43 HydrophobicContact CD2-SD 3.62Å; L11-M43 HydrophobicContact CG-SD 4.11Å; G40-M43 CarbonylContact O-C 3.57Å; G40-M43 WeakPolarHBondContact O-CA 3.41Å; G40-M43 WeakPolarHBondContact O-CB 3.35Å; G40-M43 PolarHBondContact O-N 3.13Å; G41-M43 PolarHBondContact O-N 2.92Å; M43-A60 HydrophobicContact CG-CB 3.89Å; M43-I63 HydrophobicContact CE-CD1 4.41Å; M43-T111 CarbonylContact O-C 3.51Å; M43-T111 PolarHBondContact O-OG1 3.28Å; M43-S112 WeakPolarHBondContact O-CA 3.47Å; M43-S112 VanDerWaalsContact O-CB 3.32Å; M43-S112 WeakPolarHBondContact O-CB 3.4Å; M43-S112 PolarHBondContact O-N 3.38Å; M43-V114 HydrophobicContact CE-CB 4.42Å; M43-V115 HydrophobicContact CB-CG2 4.25Å |
| 44 | S | 96.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | trans | -83.8 | 139.3 | 178.7 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | G41 L58 W287 | G41-S44 VanDerWaalsContact O-CB 3.24Å; G41-S44 WeakPolarHBondContact O-CB 3.45Å; G41-S44 PolarHBondContact O-N 3.39Å; G41-S44 PolarHBondContact O-OG 3.33Å; S44-L58 PolarHBondContact O-N 2.64Å; S44-W287 WeakPolarHBondContact OG-CH2 3.23Å | ||
| 45 | T | 97.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 57 Ų | 57 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.2 | 171.6 | -46.8 | 0 | 0 | 0 | 0 | 108.5 | S55 D57 T111 S112 | T45-S55 WeakPolarHBondContact CG2-OG 3.24Å; T45-D57 VanDerWaalsContact CB-OD1 3.31Å; T45-D57 WeakPolarHBondContact CB-OD1 3.34Å; T45-D57 WeakPolarHBondContact CG2-OD1 3.42Å; T45-D57 PolarHBondContact OG1-OD1 2.83Å; T45-T111 PolarHBondContact OG1-N 2.92Å; T45-T111 VanDerWaalsContact OG1-N 3.16Å; T45-S112 WeakPolarHBondContact CB-OG 3.45Å; T45-S112 PolarHBondContact OG1-N 3.5Å; T45-S112 PolarHBondContact OG1-OG 3.07Å |
| 46 | S | 96.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 52 Ų | 52 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 143.5 | 175.9 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | S55 A56 L58 | S46-S55 CarbonylContact O-C 3.14Å; S46-S55 VanDerWaalsContact O-CA 3.29Å; S46-S55 WeakPolarHBondContact O-CA 3.45Å; S46-S55 WeakPolarHBondContact O-CB 3.31Å; S46-A56 PolarHBondContact N-O 3.19Å; S46-A56 PolarHBondContact O-N 3.14Å; S46-L58 WeakPolarHBondContact OG-CD1 3.37Å |
| 47 | R | 95.3 | Very high | 95.9 | Very high | 186 Ų | 186 | 50.1 Ų | 50.1 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | trans | -104.5 | 148.8 | 171.4 | -62.9 | -176.1 | -172.9 | -81.1 | 1.1 | 109.3 | ||||
| 48 | P | 94 | Very high | 95.9 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | trans | -61.4 | 154.5 | 169.3 | 28.8 | -36.3 | 0 | 0 | 0 | 110.3 | D50 S53 F198 | P48-D50 VanDerWaalsContact C-N 3.29Å; P48-D50 VanDerWaalsContact CB-O 3.23Å; P48-D50 WeakPolarHBondContact CB-O 3.42Å; P48-D50 WeakPolarHBondContact CG-O 3.22Å; P48-D50 PolarHBondContact O-N 3.4Å; P48-S53 WeakPolarHBondContact CG-O 3.24Å; P48-F198 HydrophobicContact CB-CB 4.17Å; P48-F198 HydrophobicContact CB-CD1 3.78Å; P48-F198 HydrophobicContact CB-CD2 4.09Å; P48-F198 HydrophobicContact CB-CE1 4.17Å; P48-F198 HydrophobicContact CB-CE2 4.43Å; P48-F198 HydrophobicContact CB-CG 3.75Å; P48-F198 HydrophobicContact CB-CZ 4.48Å; P48-F198 HydrophobicContact CG-CD1 4.17Å; P48-F198 HydrophobicContact CG-CE1 4.42Å | ||
| 49 | P | 91.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 39.5 Ų | 39.5 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -57.4 | -43.3 | 172.5 | -23.6 | 34.5 | 0 | 0 | 0 | 112.2 | S281 | P49-S281 WeakPolarHBondContact CD-OG 3.49Š|
| 50 | D | 88.9 | Confident | 95.9 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -102 | 136.3 | 174.7 | -59.8 | -45.7 | 0 | 0 | 0 | 110.1 | P48 T52 | P48-D50 VanDerWaalsContact C-N 3.29Å; P48-D50 VanDerWaalsContact CB-O 3.23Å; P48-D50 WeakPolarHBondContact CB-O 3.42Å; P48-D50 WeakPolarHBondContact CG-O 3.22Å; P48-D50 PolarHBondContact O-N 3.4Å; D50-T52 HydrophobicContact CB-CG2 4.38Å; D50-T52 PolarHBondContact O-N 3.2Å |
| 51 | P | 90.1 | Very high | 96 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 74% | 0.74 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 42.5 | -173.9 | 34.2 | -37.4 | 0 | 0 | 0 | 113.1 | L237 | P51-L237 VanDerWaalsContact O-CD2 3.23Å; P51-L237 WeakPolarHBondContact O-CD2 3.41Å |
| 52 | T | 93.6 | Very high | 96 | Very high | 59 Ų | 59 | 42 Ų | 42 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -4.2 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | D50 G238 | D50-T52 HydrophobicContact CB-CG2 4.38Å; D50-T52 PolarHBondContact O-N 3.2Å; T52-G238 PolarHBondContact O-N 3.37Å |
| 53 | S | 96.4 | Very high | 96 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 159.7 | -177.5 | -41 | 0 | 0 | 0 | 0 | 111.1 | P48 F199 G238 | P48-S53 WeakPolarHBondContact CG-O 3.24Å; S53-F199 WeakPolarHBondContact CB-O 3.33Å; S53-F199 PolarHBondContact OG-O 3.07Å; S53-G238 WeakPolarHBondContact CA-O 3.39Å |
| 54 | H | 97.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | trans | -65 | 157.5 | 175.5 | -69.1 | 85.3 | 0 | 0 | 0 | 112.1 | F198 N227 S232 A234 L237 G238 S240 | H54-F198 WeakPolarHBondContact O-CD1 3.47Å; H54-F198 WeakPolarHBondContact O-CE1 3.5Å; H54-N227 HydrophobicContact CB-CB 3.68Å; H54-N227 VanDerWaalsContact CG-CB 3.46Å; H54-S232 PolarHBondContact CD2-O 2.88Å; H54-S232 PolarHBondContact NE2-O 3.14Å; H54-A234 PolarHBondContact NE2-N 2.89Å; H54-L237 WeakPolarHBondContact CE1-CB 3.47Å; H54-L237 PolarHBondContact CE1-O 3.06Å; H54-L237 VanDerWaalsContact CE1-O 3.28Å; H54-G238 PolarHBondContact N-O 2.88Å; H54-G238 PolarHBondContact ND1-O 3.37Å; H54-S240 PolarHBondContact O-OG 2.92Å | ||
| 55 | S | 97.4 | Very high | 96 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | trans | -69.4 | 160.2 | 170.2 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | T45 S46 R230 | T45-S55 WeakPolarHBondContact CG2-OG 3.24Å; S46-S55 CarbonylContact O-C 3.14Å; S46-S55 VanDerWaalsContact O-CA 3.29Å; S46-S55 WeakPolarHBondContact O-CA 3.45Å; S46-S55 WeakPolarHBondContact O-CB 3.31Å; S55-R230 PolarHBondContact O-NH2 2.83Å; S55-R230 PolarHBondContact OG-NH1 2.83Å; S55-R230 PolarHBondContact OG-NH2 3.26Å | ||
| 56 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S46 L58 A196 F198 D226 V242 | S46-A56 PolarHBondContact N-O 3.19Å; S46-A56 PolarHBondContact O-N 3.14Å; A56-L58 PolarHBondContact O-N 3.09Å; A56-A196 HydrophobicContact CB-CB 3.52Å; A56-F198 HydrophobicContact CB-CE1 3.79Å; A56-F198 HydrophobicContact CB-CZ 4.01Å; A56-D226 VanDerWaalsContact CA-OD2 3.26Å; A56-D226 WeakPolarHBondContact CA-OD2 3.31Å; A56-V242 HydrophobicContact CB-CG2 3.79Å |
| 57 | D | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 111.6 | 171.7 | -70.6 | -47.6 | 0 | 0 | 0 | 110.9 | T45 Q61 G110 T111 D226 R230 V242 | T45-D57 VanDerWaalsContact CB-OD1 3.31Å; T45-D57 WeakPolarHBondContact CB-OD1 3.34Å; T45-D57 WeakPolarHBondContact CG2-OD1 3.42Å; T45-D57 PolarHBondContact OG1-OD1 2.83Å; D57-Q61 PolarHBondContact O-NE2 3.4Å; D57-G110 WeakPolarHBondContact OD2-CA 3.45Å; D57-T111 HydrophobicContact CB-CG2 4.25Å; D57-T111 VanDerWaalsContact CG-N 3.33Å; D57-T111 VanDerWaalsContact CG-OG1 3.3Å; D57-T111 PolarHBondContact OD1-N 2.88Å; D57-T111 PolarHBondContact OD1-OG1 3.25Å; D57-T111 PolarHBondContact OD2-N 3.29Å; D57-D226 PolarHBondContact N-OD2 3.35Å; D57-R230 IonicContact OD1-NH1 3.35Å; D57-R230 VanDerWaalsContact OD2-CD 3.24Å; D57-R230 WeakPolarHBondContact OD2-CD 3.21Å; D57-R230 IonicContact OD2-CZ 3.59Å; D57-R230 IonicContact OD2-NE 3.28Å; D57-R230 IonicContact OD2-NH1 2.87Å; D57-R230 PolarHBondContact OD2-NH1 3.3Å; D57-V242 WeakPolarHBondContact O-CG1 3.26Å; D57-V242 WeakPolarHBondContact O-CG2 3.42Å |
| 58 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -89.4 | -15 | -176.6 | -75.4 | 173.3 | 0 | 0 | 0 | 113.6 | S44 S46 A56 A194 A196 H244 K283 Q285 W287 | S44-L58 PolarHBondContact O-N 2.64Å; S46-L58 WeakPolarHBondContact OG-CD1 3.37Å; A56-L58 PolarHBondContact O-N 3.09Å; L58-A194 HydrophobicContact CB-CB 4.31Å; L58-A194 HydrophobicContact CD2-CB 4.02Å; L58-A194 WeakPolarHBondContact O-CB 3.49Å; L58-A196 HydrophobicContact CD2-CB 3.57Å; L58-A196 HydrophobicContact CG-CB 4.31Å; L58-H244 PolarHBondContact O-NE2 2.79Å; L58-K283 HydrophobicContact CD1-CG 3.61Å; L58-Q285 HydrophobicContact CB-CB 4.45Å; L58-Q285 HydrophobicContact CD1-CB 3.94Å; L58-W287 HydrophobicContact CB-CZ2 4.41Å; L58-W287 PolarHBondContact O-NE1 2.89Å |
| 59 | G | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -108.2 | -121.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R42 Q61 H244 | R42-G59 CarbonylContact O-C 3.52Å; R42-G59 VanDerWaalsContact O-CA 3.23Å; R42-G59 WeakPolarHBondContact O-CA 3.46Å; G59-Q61 PolarHBondContact O-N 2.95Å; G59-Q61 PolarHBondContact O-NE2 2.94Å; G59-H244 PolarHBondContact O-CE1 2.99Å |
| 60 | A | 97.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | trans | -50.4 | 137 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R42 M43 T111 | R42-A60 PolarHBondContact O-N 2.87Å; M43-A60 HydrophobicContact CG-CB 3.89Å; A60-T111 VanDerWaalsContact O-CG2 3.28Å; A60-T111 WeakPolarHBondContact O-CG2 3.41Å | ||
| 61 | Q | 97.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | trans | -102.8 | -36.1 | -173.1 | -66.9 | -60.6 | -55.7 | 0 | 0 | 113.2 | D57 G59 Y222 K229 H244 | D57-Q61 PolarHBondContact O-NE2 3.4Å; G59-Q61 PolarHBondContact O-N 2.95Å; G59-Q61 PolarHBondContact O-NE2 2.94Å; Q61-Y222 HydrophobicContact CB-CE1 4.09Å; Q61-Y222 HydrophobicContact CG-CD1 4.12Å; Q61-Y222 HydrophobicContact CG-CE1 3.52Å; Q61-K229 WeakPolarHBondContact O-CE 3.49Å; Q61-K229 PolarHBondContact O-NZ 3.42Å; Q61-H244 PolarHBondContact NE2-CE1 2.81Å | ||
| 62 | Y | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | trans | -158.8 | 167 | 176.9 | 59.2 | -89.9 | 0 | 0 | 0 | 108.1 | T64 L96 N104 Y105 Y213 | Y62-T64 VanDerWaalsContact CE2-OG1 3.3Å; Y62-T64 WeakPolarHBondContact CE2-OG1 3.38Å; Y62-L96 WeakPolarHBondContact OH-CD1 3.25Å; Y62-N104 HydrophobicContact CD2-CB 4.38Å; Y62-Y105 CarbonylContact C-O 3.55Å; Y62-Y105 WeakPolarHBondContact CA-O 3.38Å; Y62-Y105 VanDerWaalsContact CB-O 3.27Å; Y62-Y105 WeakPolarHBondContact CB-O 3.19Å; Y62-Y213 PolarHBondContact OH-OH 3.19Å | ||
| 63 | I | 98.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.5 | -179.8 | -61.7 | 177.4 | 0 | 0 | 0 | 108.3 | M43 Y77 L86 N104 Y105 F323 | M43-I63 HydrophobicContact CE-CD1 4.41Å; I63-Y77 HydrophobicContact CG2-CE1 3.97Å; I63-L86 HydrophobicContact CD1-CD1 4.47Å; I63-L86 HydrophobicContact CD1-CD2 3.7Å; I63-N104 CarbonylContact O-C 3.58Å; I63-N104 WeakPolarHBondContact O-CA 3.49Å; I63-Y105 PolarHBondContact N-O 3.46Å; I63-Y105 PolarHBondContact O-N 3.44Å; I63-F323 HydrophobicContact CB-CB 4.48Å; I63-F323 HydrophobicContact CD1-CB 4.19Å; I63-F323 HydrophobicContact CD1-CD2 3.77Å; I63-F323 HydrophobicContact CD1-CE2 4.37Å; I63-F323 HydrophobicContact CD1-CG 4.01Å; I63-F323 HydrophobicContact CG1-CB 4.19Å; I63-F323 HydrophobicContact CG2-CB 3.61Å; I63-F323 HydrophobicContact CG2-CD1 4.03Å; I63-F323 HydrophobicContact CG2-CG 3.86Å |
| 64 | T | 97.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.5 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 109.4 | Y62 N102 K103 N104 | Y62-T64 VanDerWaalsContact CE2-OG1 3.3Å; Y62-T64 WeakPolarHBondContact CE2-OG1 3.38Å; T64-N102 HydrophobicContact CG2-CB 4.04Å; T64-K103 CarbonylContact C-O 3.51Å; T64-K103 WeakPolarHBondContact CA-O 3.34Å; T64-N104 WeakPolarHBondContact CB-OD1 3.37Å; T64-N104 WeakPolarHBondContact CG2-OD1 3.46Å; T64-N104 PolarHBondContact OG1-OD1 3.45Å |
| 65 | A | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A70 Y77 N102 K103 Y105 | A65-A70 HydrophobicContact CB-CB 4.19Å; A65-Y77 HydrophobicContact CB-CE1 3.89Å; A65-Y77 HydrophobicContact CB-CE2 3.92Å; A65-Y77 VanDerWaalsContact CB-CZ 3.49Å; A65-Y77 WeakPolarHBondContact CB-OH 3.33Å; A65-N102 CarbonylContact O-C 3.36Å; A65-N102 VanDerWaalsContact O-CA 3.3Å; A65-N102 WeakPolarHBondContact O-CA 3.48Å; A65-K103 PolarHBondContact N-O 2.91Å; A65-K103 PolarHBondContact O-N 2.79Å; A65-Y105 HydrophobicContact CB-CE2 3.89Å |
| 66 | T | 96.9 | Very high | 97.3 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | trans | -70.7 | 165.4 | 164.6 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | A68 Y69 A70 N102 | T66-A68 PolarHBondContact O-N 3.26Å; T66-Y69 HydrophobicContact CG2-CD2 4.06Å; T66-Y69 HydrophobicContact CG2-CE2 4.45Å; T66-Y69 PolarHBondContact O-N 2.75Å; T66-Y69 VanDerWaalsContact OG1-CD2 3.23Å; T66-Y69 WeakPolarHBondContact OG1-CD2 3.4Å; T66-Y69 PolarHBondContact OG1-N 3.05Å; T66-Y69 VanDerWaalsContact OG1-N 3.13Å; T66-A70 WeakPolarHBondContact O-CB 3.35Å; T66-A70 PolarHBondContact O-N 3.33Å; T66-N102 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 67 | A | 95.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.2 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q71 | A67-Q71 PolarHBondContact O-N 3.5Å |
| 68 | A | 96.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 51% | 0.512 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T66 Q71 S72 | T66-A68 PolarHBondContact O-N 3.26Å; A68-Q71 WeakPolarHBondContact O-CB 3.48Å; A68-Q71 PolarHBondContact O-N 2.95Å; A68-Q71 VanDerWaalsContact O-N 3.17Å; A68-S72 PolarHBondContact O-N 3.43Å; A68-S72 PolarHBondContact O-OG 2.79Å |
| 69 | Y | 97.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -34.7 | 179.9 | -70.4 | -40.1 | 0 | 0 | 0 | 113.7 | T66 Q71 S72 H73 H320 D324 E328 | T66-Y69 HydrophobicContact CG2-CD2 4.06Å; T66-Y69 HydrophobicContact CG2-CE2 4.45Å; T66-Y69 PolarHBondContact O-N 2.75Å; T66-Y69 VanDerWaalsContact OG1-CD2 3.23Å; T66-Y69 WeakPolarHBondContact OG1-CD2 3.4Å; T66-Y69 PolarHBondContact OG1-N 3.05Å; T66-Y69 VanDerWaalsContact OG1-N 3.13Å; Y69-Q71 PolarHBondContact O-N 3.16Å; Y69-S72 PolarHBondContact O-N 3.14Å; Y69-H73 AromaticContact CD1-CE1 3.45Å; Y69-H73 VanDerWaalsContact CD1-CE1 3.45Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.45Å; Y69-H73 AromaticContact CD1-ND1 3.61Å; Y69-H73 AromaticContact CE1-CE1 3.78Å; Y69-H73 WeakPolarHBondContact O-CA 3.22Å; Y69-H73 WeakPolarHBondContact O-CB 3.25Å; Y69-H73 PolarHBondContact O-N 2.81Å; Y69-H320 AromaticContact CE2-NE2 3.86Å; Y69-H320 AromaticContact CZ-CE1 3.91Å; Y69-H320 AromaticContact CZ-NE2 3.69Å; Y69-H320 PolarHBondContact OH-CE1 2.95Å; Y69-H320 PolarHBondContact OH-NE2 2.86Å; Y69-D324 WeakPolarHBondContact CB-OD1 3.36Å; Y69-D324 HydrophobicContact CD1-CB 3.73Å; Y69-D324 HydrophobicContact CD2-CB 3.45Å; Y69-D324 VanDerWaalsContact CD2-CB 3.45Å; Y69-D324 VanDerWaalsContact CD2-CG 3.43Å; Y69-D324 WeakPolarHBondContact CD2-OD2 3.34Å; Y69-D324 HydrophobicContact CE1-CB 3.89Å; Y69-D324 HydrophobicContact CE2-CB 3.59Å; Y69-D324 HydrophobicContact CG-CB 3.55Å; Y69-E328 WeakPolarHBondContact CE1-OE1 3.3Å |
| 70 | A | 95.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -29.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A65 T66 S74 | A65-A70 HydrophobicContact CB-CB 4.19Å; T66-A70 WeakPolarHBondContact O-CB 3.35Å; T66-A70 PolarHBondContact O-N 3.33Å; A70-S74 WeakPolarHBondContact O-CA 3.38Å; A70-S74 WeakPolarHBondContact O-CB 3.41Å |
| 71 | Q | 96.4 | Very high | 97.5 | Very high | 156 Ų | 156 | 46.9 Ų | 46.9 | 73% | 0.729 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -84.6 | -57.1 | 174 | -173.2 | 178.4 | 9.6 | 0 | 0 | 112 | A67 A68 Y69 H73 S74 | A67-Q71 PolarHBondContact O-N 3.5Å; A68-Q71 WeakPolarHBondContact O-CB 3.48Å; A68-Q71 PolarHBondContact O-N 2.95Å; A68-Q71 VanDerWaalsContact O-N 3.17Å; Y69-Q71 PolarHBondContact O-N 3.16Å; Q71-H73 VanDerWaalsContact C-N 3.33Å; Q71-H73 PolarHBondContact O-N 2.87Å; Q71-S74 WeakPolarHBondContact O-CB 3.31Å; Q71-S74 PolarHBondContact O-N 2.94Å; Q71-S74 PolarHBondContact O-OG 2.78Å |
| 72 | S | 97.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 51 Ų | 51 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | -172.6 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | A68 Y69 | A68-S72 PolarHBondContact O-N 3.43Å; A68-S72 PolarHBondContact O-OG 2.79Å; Y69-S72 PolarHBondContact O-N 3.14Å |
| 73 | H | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 18.9 | 179.8 | -57 | 157.5 | 0 | 0 | 0 | 112.5 | Y69 Q71 N75 F76 Y77 D324 | Y69-H73 AromaticContact CD1-CE1 3.45Å; Y69-H73 VanDerWaalsContact CD1-CE1 3.45Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.45Å; Y69-H73 AromaticContact CD1-ND1 3.61Å; Y69-H73 AromaticContact CE1-CE1 3.78Å; Y69-H73 WeakPolarHBondContact O-CA 3.22Å; Y69-H73 WeakPolarHBondContact O-CB 3.25Å; Y69-H73 PolarHBondContact O-N 2.81Å; Q71-H73 VanDerWaalsContact C-N 3.33Å; Q71-H73 PolarHBondContact O-N 2.87Å; H73-N75 PolarHBondContact O-N 3.02Å; H73-N75 VanDerWaalsContact O-N 3.1Å; H73-F76 HydrophobicContact CB-CD2 4.01Å; H73-F76 PolarHBondContact O-N 2.81Å; H73-Y77 HydrophobicContact CB-CD2 4.17Å; H73-Y77 HydrophobicContact CB-CE2 4.02Å; H73-Y77 WeakPolarHBondContact O-CD2 3.4Å; H73-Y77 PolarHBondContact O-N 3.26Å; H73-D324 IonicContact CE1-OD1 3.35Å; H73-D324 IonicContact CG-OD1 2.73Å; H73-D324 IonicContact ND1-OD1 3.78Å; H73-D324 PolarHBondContact ND1-OD1 2.82Å |
| 74 | S | 97.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -48.5 | -39.5 | -177.7 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | A70 Q71 F76 Y77 T78 | A70-S74 WeakPolarHBondContact O-CA 3.38Å; A70-S74 WeakPolarHBondContact O-CB 3.41Å; Q71-S74 WeakPolarHBondContact O-CB 3.31Å; Q71-S74 PolarHBondContact O-N 2.94Å; Q71-S74 PolarHBondContact O-OG 2.78Å; S74-F76 PolarHBondContact O-N 2.8Å; S74-Y77 PolarHBondContact O-N 2.8Å; S74-T78 VanDerWaalsContact O-CB 3.31Å; S74-T78 WeakPolarHBondContact O-CB 3.45Å; S74-T78 PolarHBondContact O-N 2.89Å; S74-T78 PolarHBondContact O-OG1 2.99Å |
| 75 | N | 97.7 | Very high | 97.6 | Very high | 129 Ų | 129 | 50.7 Ų | 50.7 | 69% | 0.69 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 177.6 | -69.3 | -16.2 | 0 | 0 | 0 | 112.6 | H73 T78 E79 | H73-N75 PolarHBondContact O-N 3.02Å; H73-N75 VanDerWaalsContact O-N 3.1Å; N75-T78 PolarHBondContact O-N 3.15Å; N75-E79 VanDerWaalsContact O-CB 3.29Å; N75-E79 WeakPolarHBondContact O-CB 3.21Å; N75-E79 PolarHBondContact O-N 3.23Å |
| 76 | F | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 179.2 | -61.3 | -71.5 | 0 | 0 | 0 | 111.7 | L15 L19 H73 S74 L80 F323 V327 L331 | L15-F76 HydrophobicContact CD1-CD1 4.3Å; L15-F76 HydrophobicContact CD1-CE1 3.88Å; L15-F76 HydrophobicContact CD2-CE1 4.38Å; L19-F76 HydrophobicContact CD2-CE1 4.22Å; L19-F76 HydrophobicContact CD2-CZ 4.35Å; H73-F76 HydrophobicContact CB-CD2 4.01Å; H73-F76 PolarHBondContact O-N 2.81Å; S74-F76 PolarHBondContact O-N 2.8Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.4Å; F76-L80 PolarHBondContact O-N 3.16Å; F76-F323 HydrophobicContact CB-CZ 4.4Å; F76-V327 HydrophobicContact CD2-CG1 3.53Å; F76-V327 HydrophobicContact CE2-CG1 3.35Å; F76-V327 HydrophobicContact CG-CG1 4.24Å; F76-V327 HydrophobicContact CZ-CG1 3.95Å; F76-L331 HydrophobicContact CE2-CD1 4.15Å; F76-L331 HydrophobicContact CE2-CD2 4.49Å; F76-L331 HydrophobicContact CZ-CD1 4.46Å; F76-L331 HydrophobicContact CZ-CD2 4.07Å; F76-L331 HydrophobicContact CZ-CG 4.37Å |
| 77 | Y | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.2 | -75.8 | -74.2 | 0 | 0 | 0 | 111.4 | I63 A65 H73 S74 L80 L81 L86 Y105 F323 D324 | I63-Y77 HydrophobicContact CG2-CE1 3.97Å; A65-Y77 HydrophobicContact CB-CE1 3.89Å; A65-Y77 HydrophobicContact CB-CE2 3.92Å; A65-Y77 VanDerWaalsContact CB-CZ 3.49Å; A65-Y77 WeakPolarHBondContact CB-OH 3.33Å; H73-Y77 HydrophobicContact CB-CD2 4.17Å; H73-Y77 HydrophobicContact CB-CE2 4.02Å; H73-Y77 WeakPolarHBondContact O-CD2 3.4Å; H73-Y77 PolarHBondContact O-N 3.26Å; S74-Y77 PolarHBondContact O-N 2.8Å; Y77-L80 PolarHBondContact O-N 2.85Å; Y77-L81 VanDerWaalsContact O-CB 3.27Å; Y77-L81 WeakPolarHBondContact O-CB 3.4Å; Y77-L81 WeakPolarHBondContact O-CD1 3.4Å; Y77-L81 WeakPolarHBondContact O-CG 3.42Å; Y77-L81 PolarHBondContact O-N 3.41Å; Y77-L86 HydrophobicContact CD1-CD1 4.05Å; Y77-L86 HydrophobicContact CE1-CD1 4.43Å; Y77-Y105 HydrophobicContact CD1-CD2 4.07Å; Y77-Y105 AromaticContact CD1-CE2 3.72Å; Y77-Y105 HydrophobicContact CD1-CE2 3.72Å; Y77-Y105 AromaticContact CE1-CD2 3.83Å; Y77-Y105 HydrophobicContact CE1-CD2 3.83Å; Y77-Y105 AromaticContact CE1-CE2 3.71Å; Y77-Y105 HydrophobicContact CE1-CE2 3.71Å; Y77-F323 HydrophobicContact CE1-CD1 4.35Å; Y77-F323 HydrophobicContact CE1-CE1 4.27Å; Y77-F323 HydrophobicContact CE2-CE1 4.28Å; Y77-F323 AromaticContact CZ-CD1 3.9Å; Y77-F323 AromaticContact CZ-CE1 3.95Å; Y77-D324 WeakPolarHBondContact CE2-OD1 3.11Å; Y77-D324 VanDerWaalsContact OH-CG 3.26Å; Y77-D324 PolarHBondContact OH-OD1 3.21Å; Y77-D324 PolarHBondContact OH-OD2 3.32Å |
| 78 | T | 98.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 179 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | S74 N75 L80 L81 S82 | S74-T78 VanDerWaalsContact O-CB 3.31Å; S74-T78 WeakPolarHBondContact O-CB 3.45Å; S74-T78 PolarHBondContact O-N 2.89Å; S74-T78 PolarHBondContact O-OG1 2.99Å; N75-T78 PolarHBondContact O-N 3.15Å; T78-L80 PolarHBondContact O-N 2.94Å; T78-L81 PolarHBondContact O-N 3.15Å; T78-S82 VanDerWaalsContact O-CB 3.31Å; T78-S82 WeakPolarHBondContact O-CB 3.47Å; T78-S82 PolarHBondContact O-N 3.43Å; T78-S82 PolarHBondContact O-OG 2.92Å |
| 79 | E | 98 | Very high | 97.7 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.6 | -53.9 | 175.7 | -175.5 | -175.8 | 151.8 | 0 | 0 | 110.5 | R22 N75 L81 S82 A83 H117 | R22-E79 IonicContact CZ-OE2 2.87Å; R22-E79 IonicContact NH1-OE2 3.16Å; R22-E79 PolarHBondContact NH1-OE2 2.88Å; R22-E79 VanDerWaalsContact NH2-CD 3.26Å; R22-E79 IonicContact NH2-OE1 3.31Å; R22-E79 PolarHBondContact NH2-OE1 3.37Å; R22-E79 IonicContact NH2-OE2 3.52Å; R22-E79 PolarHBondContact NH2-OE2 3.17Å; N75-E79 VanDerWaalsContact O-CB 3.29Å; N75-E79 WeakPolarHBondContact O-CB 3.21Å; N75-E79 PolarHBondContact O-N 3.23Å; E79-L81 PolarHBondContact O-N 3.35Å; E79-S82 PolarHBondContact O-N 3.34Å; E79-S82 PolarHBondContact O-OG 3.02Å; E79-A83 WeakPolarHBondContact O-CB 3.1Å; E79-A83 PolarHBondContact O-N 2.89Å; E79-H117 IonicContact OE1-CD2 3.7Å; E79-H117 IonicContact OE1-NE2 3.57Å; E79-H117 PolarHBondContact OE1-NE2 3.14Å; E79-H117 VanDerWaalsContact OE1-NE2 3.16Å |
| 80 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.8 | -32.6 | -176.6 | -65 | 175.8 | 0 | 0 | 0 | 113.4 | F76 Y77 T78 G84 L85 L86 V114 F118 F323 | F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.4Å; F76-L80 PolarHBondContact O-N 3.16Å; Y77-L80 PolarHBondContact O-N 2.85Å; T78-L80 PolarHBondContact O-N 2.94Å; L80-G84 PolarHBondContact O-N 3.37Å; L80-L85 HydrophobicContact CB-CB 4.39Å; L80-L85 HydrophobicContact CD2-CB 4.2Å; L80-L85 HydrophobicContact CD2-CD1 3.67Å; L80-L85 WeakPolarHBondContact O-CA 3.23Å; L80-L85 WeakPolarHBondContact O-CB 3.29Å; L80-L85 PolarHBondContact O-N 3.21Å; L80-L86 HydrophobicContact CB-CB 4.4Å; L80-L86 HydrophobicContact CB-CD1 3.74Å; L80-L86 HydrophobicContact CB-CG 3.8Å; L80-L86 HydrophobicContact CD1-CD1 3.88Å; L80-L86 HydrophobicContact CD1-CG 4.32Å; L80-L86 HydrophobicContact CG-CD1 4.49Å; L80-L86 PolarHBondContact O-N 3.44Å; L80-L86 VanDerWaalsContact O-N 3.09Å; L80-V114 HydrophobicContact CD1-CG1 3.9Å; L80-V114 HydrophobicContact CD1-CG2 4.48Å; L80-V114 HydrophobicContact CD2-CG1 4.05Å; L80-F118 HydrophobicContact CD1-CZ 4.23Å; L80-F118 HydrophobicContact CD2-CE1 4.26Å; L80-F118 HydrophobicContact CD2-CZ 3.88Å; L80-F118 HydrophobicContact CG-CZ 4.3Å; L80-F323 HydrophobicContact CD1-CE2 3.85Å; L80-F323 HydrophobicContact CD1-CZ 3.66Å |
| 81 | L | 98.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 172.3 | -75.4 | 164.5 | 0 | 0 | 0 | 110.9 | Y77 T78 E79 A83 G84 L86 Y105 | Y77-L81 VanDerWaalsContact O-CB 3.27Å; Y77-L81 WeakPolarHBondContact O-CB 3.4Å; Y77-L81 WeakPolarHBondContact O-CD1 3.4Å; Y77-L81 WeakPolarHBondContact O-CG 3.42Å; Y77-L81 PolarHBondContact O-N 3.41Å; T78-L81 PolarHBondContact O-N 3.15Å; E79-L81 PolarHBondContact O-N 3.35Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.09Å; L81-G84 PolarHBondContact O-N 3.21Å; L81-L86 HydrophobicContact CD2-CB 3.98Å; L81-L86 HydrophobicContact CG-CB 4.27Å; L81-Y105 HydrophobicContact CD1-CE1 4.2Å; L81-Y105 HydrophobicContact CD2-CD1 4.12Å; L81-Y105 HydrophobicContact CD2-CE1 4.08Å |
| 82 | S | 98.1 | Very high | 97.4 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 70% | 0.699 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 179.8 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | T78 E79 G84 | T78-S82 VanDerWaalsContact O-CB 3.31Å; T78-S82 WeakPolarHBondContact O-CB 3.47Å; T78-S82 PolarHBondContact O-N 3.43Å; T78-S82 PolarHBondContact O-OG 2.92Å; E79-S82 PolarHBondContact O-N 3.34Å; E79-S82 PolarHBondContact O-OG 3.02Å; S82-G84 PolarHBondContact O-N 3.3Å |
| 83 | A | 97.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E79 L81 L85 | E79-A83 WeakPolarHBondContact O-CB 3.1Å; E79-A83 PolarHBondContact O-N 2.89Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.09Å; A83-L85 HydrophobicContact CB-CD1 3.78Å; A83-L85 HydrophobicContact CB-CG 3.98Å; A83-L85 PolarHBondContact O-N 3.33Å |
| 84 | G | 97.9 | Very high | 97.4 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 14.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L80 L81 S82 P108 | L80-G84 PolarHBondContact O-N 3.37Å; L81-G84 PolarHBondContact O-N 3.21Å; S82-G84 PolarHBondContact O-N 3.3Å; G84-P108 VanDerWaalsContact O-CG 3.24Å; G84-P108 WeakPolarHBondContact O-CG 3.37Å |
| 85 | L | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -82.4 | -23.9 | 179.5 | -65.3 | 166.3 | 0 | 0 | 0 | 112.1 | L80 A83 T107 L109 V114 H117 | L80-L85 HydrophobicContact CB-CB 4.39Å; L80-L85 HydrophobicContact CD2-CB 4.2Å; L80-L85 HydrophobicContact CD2-CD1 3.67Å; L80-L85 WeakPolarHBondContact O-CA 3.23Å; L80-L85 WeakPolarHBondContact O-CB 3.29Å; L80-L85 PolarHBondContact O-N 3.21Å; A83-L85 HydrophobicContact CB-CD1 3.78Å; A83-L85 HydrophobicContact CB-CG 3.98Å; A83-L85 PolarHBondContact O-N 3.33Å; L85-T107 WeakPolarHBondContact O-CA 3.37Å; L85-T107 WeakPolarHBondContact O-CG2 3.47Å; L85-L109 HydrophobicContact CD2-CD1 4.39Å; L85-V114 HydrophobicContact CB-CG2 4.46Å; L85-H117 HydrophobicContact CD1-CB 3.38Å; L85-H117 HydrophobicContact CD2-CB 4.46Å |
| 86 | L | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | trans | -118.3 | 150 | 168.7 | -65.7 | -179.8 | 0 | 0 | 0 | 111.5 | I63 Y77 L80 L81 V106 T107 V114 | I63-L86 HydrophobicContact CD1-CD1 4.47Å; I63-L86 HydrophobicContact CD1-CD2 3.7Å; Y77-L86 HydrophobicContact CD1-CD1 4.05Å; Y77-L86 HydrophobicContact CE1-CD1 4.43Å; L80-L86 HydrophobicContact CB-CB 4.4Å; L80-L86 HydrophobicContact CB-CD1 3.74Å; L80-L86 HydrophobicContact CB-CG 3.8Å; L80-L86 HydrophobicContact CD1-CD1 3.88Å; L80-L86 HydrophobicContact CD1-CG 4.32Å; L80-L86 HydrophobicContact CG-CD1 4.49Å; L80-L86 PolarHBondContact O-N 3.44Å; L80-L86 VanDerWaalsContact O-N 3.09Å; L81-L86 HydrophobicContact CD2-CB 3.98Å; L81-L86 HydrophobicContact CG-CB 4.27Å; L86-V106 CarbonylContact C-O 3.51Å; L86-V106 WeakPolarHBondContact CA-O 3.27Å; L86-T107 HydrophobicContact CD2-CG2 3.57Å; L86-V114 HydrophobicContact CD2-CG2 4.48Å | ||
| 87 | K | 97.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.7 | 166 | -70.4 | -175.9 | 178.2 | -179.9 | 0 | 109.3 | L89 Y105 V106 P108 | K87-L89 PolarHBondContact O-N 3.48Å; K87-Y105 CarbonylContact O-C 3.52Å; K87-Y105 WeakPolarHBondContact O-CA 3.41Å; K87-Y105 WeakPolarHBondContact O-CB 3.27Å; K87-V106 HydrophobicContact CB-CG2 4.43Å; K87-V106 PolarHBondContact N-O 3.16Å; K87-V106 PolarHBondContact O-N 3.5Å; K87-P108 HydrophobicContact CD-CB 4.13Å; K87-P108 HydrophobicContact CD-CG 3.94Å; K87-P108 HydrophobicContact CG-CG 4.03Å |
| 88 | P | 97.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 140.1 | 168.7 | -25.1 | 35.1 | 0 | 0 | 0 | 111 | D90 | P88-D90 PolarHBondContact O-N 2.99Å; P88-D90 VanDerWaalsContact O-N 3.11Å |
| 89 | L | 96.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | trans | -72.9 | 100.1 | 171.9 | 173 | 68.6 | 0 | 0 | 0 | 108.6 | K87 C91 I93 L96 N104 V106 K229 | K87-L89 PolarHBondContact O-N 3.48Å; L89-C91 HydrophobicContact CD1-CB 4Å; L89-I93 HydrophobicContact CD1-CD1 4.1Å; L89-I93 HydrophobicContact CD2-CD1 3.64Å; L89-I93 HydrophobicContact CD2-CG1 4.45Å; L89-I93 HydrophobicContact CG-CD1 4.43Å; L89-L96 HydrophobicContact CD2-CD2 4.4Å; L89-N104 HydrophobicContact CB-CB 3.8Å; L89-N104 HydrophobicContact CD2-CB 3.74Å; L89-N104 HydrophobicContact CG-CB 4.42Å; L89-N104 PolarHBondContact N-O 3.03Å; L89-V106 HydrophobicContact CB-CG1 4.17Å; L89-V106 HydrophobicContact CD1-CG1 3.45Å; L89-V106 VanDerWaalsContact CD1-CG1 3.45Å; L89-V106 HydrophobicContact CG-CG1 4.35Å; L89-K229 HydrophobicContact CD1-CG 4.23Å | ||
| 90 | D | 92.9 | Very high | 94.9 | Very high | 144 Ų | 144 | 75.1 Ų | 75.1 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | trans | -111.6 | 58.9 | 176.2 | -168.3 | 20.3 | 0 | 0 | 0 | 110.3 | P88 | P88-D90 PolarHBondContact O-N 2.99Å; P88-D90 VanDerWaalsContact O-N 3.11Å | ||
| 91 | C | 94 | Very high | 94.4 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 18% | 0.176 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -140.7 | 139.2 | -178.2 | -167.3 | 0 | 0 | 0 | 0 | 110 | L89 I93 G210 | L89-C91 HydrophobicContact CD1-CB 4Å; C91-I93 PolarHBondContact O-N 3.4Å; C91-G210 VanDerWaalsContact SG-CA 3.55Å |
| 92 | H | 95.4 | Very high | 94.2 | Very high | 122 Ų | 122 | 76.7 Ų | 76.7 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | trans | -67.1 | 115.6 | 175.6 | -178.8 | 59.9 | 0 | 0 | 0 | 110.6 | G210 | H92-G210 PolarHBondContact O-N 3.42Š| ||
| 93 | I | 97 | Very high | 94.1 | Very high | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.056 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.7 | 171.8 | -56.9 | -169.2 | 0 | 0 | 0 | 108.9 | L89 C91 L96 A211 Y213 | L89-I93 HydrophobicContact CD1-CD1 4.1Å; L89-I93 HydrophobicContact CD2-CD1 3.64Å; L89-I93 HydrophobicContact CD2-CG1 4.45Å; L89-I93 HydrophobicContact CG-CD1 4.43Å; C91-I93 PolarHBondContact O-N 3.4Å; I93-L96 HydrophobicContact CB-CB 3.87Å; I93-L96 HydrophobicContact CB-CD2 4.19Å; I93-L96 HydrophobicContact CG2-CB 3.81Å; I93-L96 WeakPolarHBondContact O-CB 3.44Å; I93-L96 PolarHBondContact O-N 3.19Å; I93-A211 CarbonylContact C-O 3.59Å; I93-A211 VanDerWaalsContact CA-O 3.28Å; I93-A211 WeakPolarHBondContact CA-O 3.48Å; I93-A211 HydrophobicContact CB-CB 4.44Å; I93-A211 HydrophobicContact CD1-CB 4.15Å; I93-A211 HydrophobicContact CG1-CB 4.02Å; I93-A211 HydrophobicContact CG2-CB 3.95Å; I93-Y213 HydrophobicContact CG2-CD2 4.06Å; I93-Y213 HydrophobicContact CG2-CE2 4.2Å |
| 94 | E | 97.4 | Very high | 94.1 | Very high | 67 Ų | 67 | 76.8 Ų | 76.8 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.4 | 176.9 | -170.5 | -169.2 | 139.4 | 0 | 0 | 110.4 | L96 A211 R212 Y213 | E94-L96 PolarHBondContact O-N 3.3Å; E94-A211 PolarHBondContact N-O 3.27Å; E94-R212 HydrophobicContact CB-CB 4.2Å; E94-R212 HydrophobicContact CB-CG 4.02Å; E94-R212 VanDerWaalsContact CD-NE 3.26Å; E94-R212 HydrophobicContact CG-CG 4.31Å; E94-R212 WeakPolarHBondContact O-CA 3.5Å; E94-R212 IonicContact OE1-CZ 3.44Å; E94-R212 IonicContact OE1-NE 2.88Å; E94-R212 PolarHBondContact OE1-NE 3.23Å; E94-R212 IonicContact OE1-NH2 3.46Å; E94-R212 PolarHBondContact OE1-NH2 2.99Å; E94-R212 VanDerWaalsContact OE2-CD 3.31Å; E94-R212 WeakPolarHBondContact OE2-CD 3.44Å; E94-R212 IonicContact OE2-NE 2.99Å; E94-R212 PolarHBondContact OE2-NE 3.15Å; E94-Y213 PolarHBondContact O-N 3.31Å |
| 95 | G | 95.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 76.3 Ų | 76.3 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 8.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q97 | G95-Q97 PolarHBondContact O-N 2.85Š|
| 96 | L | 93.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | trans | -66.2 | 124.9 | 172 | -176.6 | 66.5 | 0 | 0 | 0 | 110.3 | Y62 L89 I93 E94 H98 Y213 | Y62-L96 WeakPolarHBondContact OH-CD1 3.25Å; L89-L96 HydrophobicContact CD2-CD2 4.4Å; I93-L96 HydrophobicContact CB-CB 3.87Å; I93-L96 HydrophobicContact CB-CD2 4.19Å; I93-L96 HydrophobicContact CG2-CB 3.81Å; I93-L96 WeakPolarHBondContact O-CB 3.44Å; I93-L96 PolarHBondContact O-N 3.19Å; E94-L96 PolarHBondContact O-N 3.3Å; L96-H98 PolarHBondContact O-N 3.36Å; L96-Y213 HydrophobicContact CD1-CE2 3.95Å | ||
| 97 | Q | 89.1 | Confident | 94.1 | Very high | 159 Ų | 159 | 75.8 Ų | 75.8 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | trans | -86 | 112.8 | 174.4 | -64.1 | -65.3 | -40.1 | 0 | 0 | 109.2 | G95 | G95-Q97 PolarHBondContact O-N 2.85Š| ||
| 98 | H | 82.7 | Confident | 94 | Very high | 154 Ų | 154 | 71.8 Ų | 71.8 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | trans | -80 | 126.5 | 173.5 | -69.4 | -89.8 | 0 | 0 | 0 | 109.6 | L96 | L96-H98 PolarHBondContact O-N 3.36Š| ||
| 99 | K | 88.3 | Confident | 94 | Very high | 153 Ų | 153 | 73.2 Ų | 73.2 | 67% | 0.665 | 38% | 0.378 | S | S | * | . | trans | -107.5 | 130.4 | 167.9 | -68 | -172.1 | 176.9 | -172.7 | 0 | 107.9 | G101 N102 | K99-G101 PolarHBondContact O-N 3.34Å; K99-N102 HydrophobicContact CB-CB 4.35Å; K99-N102 WeakPolarHBondContact O-CB 3.14Å; K99-N102 PolarHBondContact O-N 3.25Å; K99-N102 VanDerWaalsContact O-N 3.13Å | ||
| 100 | E | 87.8 | Confident | 94.1 | Very high | 197 Ų | 197 | 71.9 Ų | 71.9 | 92% | 0.921 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 136.6 | 179.1 | -167.8 | 176.1 | -176.6 | 0 | 0 | 110.8 | N102 | E100-N102 PolarHBondContact O-N 3.44Š|
| 101 | G | 88.7 | Confident | 94.3 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -12.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | K99 | K99-G101 PolarHBondContact O-N 3.34Š|
| 102 | N | 94.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 64 Ų | 64 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | trans | -76.8 | 139.4 | 175.9 | -73.9 | 9.6 | 0 | 0 | 0 | 111.7 | T64 A65 T66 K99 E100 | T64-N102 HydrophobicContact CG2-CB 4.04Å; A65-N102 CarbonylContact O-C 3.36Å; A65-N102 VanDerWaalsContact O-CA 3.3Å; A65-N102 WeakPolarHBondContact O-CA 3.48Å; T66-N102 WeakPolarHBondContact CA-OD1 3.27Å; K99-N102 HydrophobicContact CB-CB 4.35Å; K99-N102 WeakPolarHBondContact O-CB 3.14Å; K99-N102 PolarHBondContact O-N 3.25Å; K99-N102 VanDerWaalsContact O-N 3.13Å; E100-N102 PolarHBondContact O-N 3.44Å | ||
| 103 | K | 96 | Very high | 94.7 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.9 | 173 | -63.7 | -177.8 | -179 | 179.4 | 0 | 110 | T64 A65 Y105 | T64-K103 CarbonylContact C-O 3.51Å; T64-K103 WeakPolarHBondContact CA-O 3.34Å; A65-K103 PolarHBondContact N-O 2.91Å; A65-K103 PolarHBondContact O-N 2.79Å; K103-Y105 HydrophobicContact CB-CE2 3.81Å; K103-Y105 WeakPolarHBondContact CD-OH 3.23Å |
| 104 | N | 97.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.3 | 177.3 | -64.4 | -51.2 | 0 | 0 | 0 | 110.2 | Y62 I63 T64 L89 | Y62-N104 HydrophobicContact CD2-CB 4.38Å; I63-N104 CarbonylContact O-C 3.58Å; I63-N104 WeakPolarHBondContact O-CA 3.49Å; T64-N104 WeakPolarHBondContact CB-OD1 3.37Å; T64-N104 WeakPolarHBondContact CG2-OD1 3.46Å; T64-N104 PolarHBondContact OG1-OD1 3.45Å; L89-N104 HydrophobicContact CB-CB 3.8Å; L89-N104 HydrophobicContact CD2-CB 3.74Å; L89-N104 HydrophobicContact CG-CB 4.42Å; L89-N104 PolarHBondContact N-O 3.03Å |
| 105 | Y | 98.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.3 | 180 | -54.8 | -85.8 | 0 | 0 | 0 | 111.1 | Y62 I63 A65 Y77 L81 K87 K103 | Y62-Y105 CarbonylContact C-O 3.55Å; Y62-Y105 WeakPolarHBondContact CA-O 3.38Å; Y62-Y105 VanDerWaalsContact CB-O 3.27Å; Y62-Y105 WeakPolarHBondContact CB-O 3.19Å; I63-Y105 PolarHBondContact N-O 3.46Å; I63-Y105 PolarHBondContact O-N 3.44Å; A65-Y105 HydrophobicContact CB-CE2 3.89Å; Y77-Y105 HydrophobicContact CD1-CD2 4.07Å; Y77-Y105 AromaticContact CD1-CE2 3.72Å; Y77-Y105 HydrophobicContact CD1-CE2 3.72Å; Y77-Y105 AromaticContact CE1-CD2 3.83Å; Y77-Y105 HydrophobicContact CE1-CD2 3.83Å; Y77-Y105 AromaticContact CE1-CE2 3.71Å; Y77-Y105 HydrophobicContact CE1-CE2 3.71Å; L81-Y105 HydrophobicContact CD1-CE1 4.2Å; L81-Y105 HydrophobicContact CD2-CD1 4.12Å; L81-Y105 HydrophobicContact CD2-CE1 4.08Å; K87-Y105 CarbonylContact O-C 3.52Å; K87-Y105 WeakPolarHBondContact O-CA 3.41Å; K87-Y105 WeakPolarHBondContact O-CB 3.27Å; K103-Y105 HydrophobicContact CB-CE2 3.81Å; K103-Y105 WeakPolarHBondContact CD-OH 3.23Å |
| 106 | V | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 163.1 | 170.5 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | L86 K87 L89 K229 | L86-V106 CarbonylContact C-O 3.51Å; L86-V106 WeakPolarHBondContact CA-O 3.27Å; K87-V106 HydrophobicContact CB-CG2 4.43Å; K87-V106 PolarHBondContact N-O 3.16Å; K87-V106 PolarHBondContact O-N 3.5Å; L89-V106 HydrophobicContact CB-CG1 4.17Å; L89-V106 HydrophobicContact CD1-CG1 3.45Å; L89-V106 VanDerWaalsContact CD1-CG1 3.45Å; L89-V106 HydrophobicContact CG-CG1 4.35Å; V106-K229 HydrophobicContact CG1-CG 4.25Å |
| 107 | T | 98 | Very high | 95.2 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -108.1 | 100.7 | 178.9 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | L85 L86 L109 G110 T111 V114 R230 | L85-T107 WeakPolarHBondContact O-CA 3.37Å; L85-T107 WeakPolarHBondContact O-CG2 3.47Å; L86-T107 HydrophobicContact CD2-CG2 3.57Å; T107-L109 PolarHBondContact O-N 2.86Å; T107-L109 VanDerWaalsContact O-N 3.08Å; T107-G110 PolarHBondContact O-N 3.1Å; T107-T111 HydrophobicContact CG2-CG2 4.44Å; T107-T111 WeakPolarHBondContact OG1-CA 3.37Å; T107-T111 WeakPolarHBondContact OG1-CG2 3.24Å; T107-T111 PolarHBondContact OG1-N 3.25Å; T107-V114 HydrophobicContact CG2-CG2 3.75Å; T107-R230 VanDerWaalsContact O-CD 3.31Å; T107-R230 WeakPolarHBondContact O-CD 3.32Å | ||
| 108 | P | 97.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.6 | -173.6 | 25.6 | -36 | 0 | 0 | 0 | 113.4 | G84 K87 S232 | G84-P108 VanDerWaalsContact O-CG 3.24Å; G84-P108 WeakPolarHBondContact O-CG 3.37Å; K87-P108 HydrophobicContact CD-CB 4.13Å; K87-P108 HydrophobicContact CD-CG 3.94Å; K87-P108 HydrophobicContact CG-CG 4.03Å; P108-S232 WeakPolarHBondContact O-CB 3.37Å |
| 109 | L | 97 | Very high | 96.4 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 61% | 0.613 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | 10.1 | 177.5 | -55 | -179.4 | 0 | 0 | 0 | 113.2 | L85 T107 | L85-L109 HydrophobicContact CD2-CD1 4.39Å; T107-L109 PolarHBondContact O-N 2.86Å; T107-L109 VanDerWaalsContact O-N 3.08Å |
| 110 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | 84 | 151.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D57 T107 S112 S113 R230 | D57-G110 WeakPolarHBondContact OD2-CA 3.45Å; T107-G110 PolarHBondContact O-N 3.1Å; G110-S112 PolarHBondContact O-N 2.98Å; G110-S112 VanDerWaalsContact O-N 3.07Å; G110-S113 WeakPolarHBondContact O-CB 3.38Å; G110-S113 PolarHBondContact O-N 2.89Å; G110-S113 PolarHBondContact O-OG 3.33Å; G110-R230 VanDerWaalsContact CA-NH1 3.32Å | ||
| 111 | T | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.6 | -171.1 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | M43 T45 D57 A60 T107 S113 | M43-T111 CarbonylContact O-C 3.51Å; M43-T111 PolarHBondContact O-OG1 3.28Å; T45-T111 PolarHBondContact OG1-N 2.92Å; T45-T111 VanDerWaalsContact OG1-N 3.16Å; D57-T111 HydrophobicContact CB-CG2 4.25Å; D57-T111 VanDerWaalsContact CG-N 3.33Å; D57-T111 VanDerWaalsContact CG-OG1 3.3Å; D57-T111 PolarHBondContact OD1-N 2.88Å; D57-T111 PolarHBondContact OD1-OG1 3.25Å; D57-T111 PolarHBondContact OD2-N 3.29Å; A60-T111 VanDerWaalsContact O-CG2 3.28Å; A60-T111 WeakPolarHBondContact O-CG2 3.41Å; T107-T111 HydrophobicContact CG2-CG2 4.44Å; T107-T111 WeakPolarHBondContact OG1-CA 3.37Å; T107-T111 WeakPolarHBondContact OG1-CG2 3.24Å; T107-T111 PolarHBondContact OG1-N 3.25Å; T111-S113 PolarHBondContact O-N 3.47Å |
| 112 | S | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -15.3 | 176.2 | 65 | 0 | 0 | 0 | 0 | 113.5 | M43 T45 G110 V114 V115 K116 | M43-S112 WeakPolarHBondContact O-CA 3.47Å; M43-S112 VanDerWaalsContact O-CB 3.32Å; M43-S112 WeakPolarHBondContact O-CB 3.4Å; M43-S112 PolarHBondContact O-N 3.38Å; T45-S112 WeakPolarHBondContact CB-OG 3.45Å; T45-S112 PolarHBondContact OG1-N 3.5Å; T45-S112 PolarHBondContact OG1-OG 3.07Å; G110-S112 PolarHBondContact O-N 2.98Å; G110-S112 VanDerWaalsContact O-N 3.07Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 2.96Å; S112-V115 PolarHBondContact O-N 2.9Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 2.83Å; S112-K116 PolarHBondContact OG-NZ 2.95Å |
| 113 | S | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 178.9 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | G110 T111 V115 K116 H117 | G110-S113 WeakPolarHBondContact O-CB 3.38Å; G110-S113 PolarHBondContact O-N 2.89Å; G110-S113 PolarHBondContact O-OG 3.33Å; T111-S113 PolarHBondContact O-N 3.47Å; S113-V115 PolarHBondContact O-N 2.98Å; S113-K116 PolarHBondContact O-N 3.39Å; S113-H117 WeakPolarHBondContact O-CB 3.4Å; S113-H117 PolarHBondContact O-N 3.42Å |
| 114 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L11 M43 L80 L85 L86 T107 S112 H117 F118 F323 | L11-V114 HydrophobicContact CD1-CG1 4.03Å; M43-V114 HydrophobicContact CE-CB 4.42Å; L80-V114 HydrophobicContact CD1-CG1 3.9Å; L80-V114 HydrophobicContact CD1-CG2 4.48Å; L80-V114 HydrophobicContact CD2-CG1 4.05Å; L85-V114 HydrophobicContact CB-CG2 4.46Å; L86-V114 HydrophobicContact CD2-CG2 4.48Å; T107-V114 HydrophobicContact CG2-CG2 3.75Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 2.96Å; V114-H117 WeakPolarHBondContact O-CB 3.25Å; V114-H117 PolarHBondContact O-N 3.04Å; V114-F118 HydrophobicContact CG1-CD2 4.1Å; V114-F118 HydrophobicContact CG1-CE2 3.58Å; V114-F118 HydrophobicContact CG1-CZ 4.32Å; V114-F118 VanDerWaalsContact O-CD2 3.31Å; V114-F118 WeakPolarHBondContact O-CD2 3.22Å; V114-F118 PolarHBondContact O-N 3.42Å; V114-F323 HydrophobicContact CG1-CE2 4.19Å |
| 115 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 111 | A9 L11 S14 A39 M43 S112 S113 H117 F118 L119 | A9-V115 WeakPolarHBondContact O-CG1 3.21Å; L11-V115 HydrophobicContact CB-CG2 4.34Å; S14-V115 WeakPolarHBondContact CB-O 3.43Å; A39-V115 HydrophobicContact CB-CG1 4.26Å; M43-V115 HydrophobicContact CB-CG2 4.25Å; S112-V115 PolarHBondContact O-N 2.9Å; S113-V115 PolarHBondContact O-N 2.98Å; V115-H117 VanDerWaalsContact C-N 3.34Å; V115-F118 PolarHBondContact O-N 3.45Å; V115-L119 HydrophobicContact CG1-CD1 4.08Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.21Å |
| 116 | K | 98.7 | Very high | 98.1 | Very high | 99 Ų | 99 | 33.9 Ų | 33.9 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 178.6 | -71.5 | 170.9 | -176.3 | 171.9 | 0 | 112.4 | S112 S113 L119 S120 | S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 2.83Å; S112-K116 PolarHBondContact OG-NZ 2.95Å; S113-K116 PolarHBondContact O-N 3.39Å; K116-L119 PolarHBondContact O-N 3.43Å; K116-S120 WeakPolarHBondContact O-CB 3.27Å; K116-S120 PolarHBondContact O-N 3.41Å |
| 117 | H | 98.7 | Very high | 98.1 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -54.2 | 173.1 | 175.7 | 74.3 | 0 | 0 | 0 | 110.9 | E79 L85 S113 V114 V115 L119 S120 E121 | E79-H117 IonicContact OE1-CD2 3.7Å; E79-H117 IonicContact OE1-NE2 3.57Å; E79-H117 PolarHBondContact OE1-NE2 3.14Å; E79-H117 VanDerWaalsContact OE1-NE2 3.16Å; L85-H117 HydrophobicContact CD1-CB 3.38Å; L85-H117 HydrophobicContact CD2-CB 4.46Å; S113-H117 WeakPolarHBondContact O-CB 3.4Å; S113-H117 PolarHBondContact O-N 3.42Å; V114-H117 WeakPolarHBondContact O-CB 3.25Å; V114-H117 PolarHBondContact O-N 3.04Å; V115-H117 VanDerWaalsContact C-N 3.34Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; H117-S120 WeakPolarHBondContact O-CB 3.49Å; H117-S120 PolarHBondContact O-N 2.99Å; H117-S120 VanDerWaalsContact O-N 3.09Å; H117-E121 WeakPolarHBondContact O-CG 3.33Å; H117-E121 PolarHBondContact O-N 3.14Å |
| 118 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 179.5 | -65.8 | -43.6 | 0 | 0 | 0 | 113.5 | L11 L15 C18 L80 V114 V115 S122 | L11-F118 HydrophobicContact CD1-CD2 4.2Å; L11-F118 HydrophobicContact CD1-CE2 3.97Å; L15-F118 HydrophobicContact CB-CD2 4.15Å; L15-F118 HydrophobicContact CB-CE2 4.44Å; L15-F118 HydrophobicContact CD1-CD1 4.03Å; L15-F118 HydrophobicContact CD1-CD2 4.21Å; L15-F118 HydrophobicContact CD1-CE1 3.9Å; L15-F118 HydrophobicContact CD1-CE2 4.07Å; L15-F118 HydrophobicContact CD1-CG 4.2Å; L15-F118 HydrophobicContact CD1-CZ 3.91Å; C18-F118 HydrophobicContact CB-CB 4.01Å; C18-F118 HydrophobicContact CB-CD1 4.24Å; C18-F118 HydrophobicContact CB-CG 4.46Å; L80-F118 HydrophobicContact CD1-CZ 4.23Å; L80-F118 HydrophobicContact CD2-CE1 4.26Å; L80-F118 HydrophobicContact CD2-CZ 3.88Å; L80-F118 HydrophobicContact CG-CZ 4.3Å; V114-F118 HydrophobicContact CG1-CD2 4.1Å; V114-F118 HydrophobicContact CG1-CE2 3.58Å; V114-F118 HydrophobicContact CG1-CZ 4.32Å; V114-F118 VanDerWaalsContact O-CD2 3.31Å; V114-F118 WeakPolarHBondContact O-CD2 3.22Å; V114-F118 PolarHBondContact O-N 3.42Å; V115-F118 PolarHBondContact O-N 3.45Å; F118-S122 WeakPolarHBondContact O-CB 3.36Å; F118-S122 PolarHBondContact O-N 3.45Å |
| 119 | L | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 172.7 | -71.2 | 166.9 | 0 | 0 | 0 | 111.5 | A9 V32 A39 V115 K116 H117 S122 G123 L126 | A9-L119 HydrophobicContact CB-CD1 4.27Å; V32-L119 HydrophobicContact CB-CD2 4.36Å; V32-L119 HydrophobicContact CG1-CD2 4.16Å; V32-L119 HydrophobicContact CG2-CD2 4.02Å; A39-L119 HydrophobicContact CB-CD1 3.55Å; V115-L119 HydrophobicContact CG1-CD1 4.08Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.21Å; K116-L119 PolarHBondContact O-N 3.43Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; L119-S122 PolarHBondContact O-N 3.3Å; L119-S122 PolarHBondContact O-OG 3.3Å; L119-G123 PolarHBondContact O-N 2.83Å; L119-L126 HydrophobicContact CD1-CD1 4.45Å; L119-L126 HydrophobicContact CD1-CD2 4.12Å; L119-L126 HydrophobicContact CD2-CD1 4.49Å |
| 120 | S | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 43.1 Ų | 43.1 | 63% | 0.629 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.4 | -50 | 176.7 | -173 | 0 | 0 | 0 | 0 | 111.6 | K116 H117 S122 G123 | K116-S120 WeakPolarHBondContact O-CB 3.27Å; K116-S120 PolarHBondContact O-N 3.41Å; H117-S120 WeakPolarHBondContact O-CB 3.49Å; H117-S120 PolarHBondContact O-N 2.99Å; H117-S120 VanDerWaalsContact O-N 3.09Å; S120-S122 PolarHBondContact O-N 3.27Å; S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 VanDerWaalsContact O-N 3.09Å |
| 121 | E | 97.7 | Very high | 98.2 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -28.5 | 178.8 | -70.4 | -62.6 | 105.4 | 0 | 0 | 112.8 | H117 G123 | H117-E121 WeakPolarHBondContact O-CG 3.33Å; H117-E121 PolarHBondContact O-N 3.14Å; E121-G123 VanDerWaalsContact C-N 3.33Å |
| 122 | S | 97.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -26.5 | 176.8 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | A17 K21 F118 L119 S120 A124 | A17-S122 WeakPolarHBondContact O-CB 3.36Å; K21-S122 WeakPolarHBondContact CB-O 3.11Å; K21-S122 WeakPolarHBondContact CD-O 3.36Å; K21-S122 VanDerWaalsContact CG-O 3.24Å; K21-S122 WeakPolarHBondContact CG-O 3.45Å; F118-S122 WeakPolarHBondContact O-CB 3.36Å; F118-S122 PolarHBondContact O-N 3.45Å; L119-S122 PolarHBondContact O-N 3.3Å; L119-S122 PolarHBondContact O-OG 3.3Å; S120-S122 PolarHBondContact O-N 3.27Å; S122-A124 PolarHBondContact O-N 2.82Å; S122-A124 VanDerWaalsContact OG-CB 3.26Å; S122-A124 WeakPolarHBondContact OG-CB 3.25Å; S122-A124 PolarHBondContact OG-N 3.28Å; S122-A124 VanDerWaalsContact OG-N 3.14Å |
| 123 | G | 96.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 63% | 0.629 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 21.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | L119 S120 E121 | L119-G123 PolarHBondContact O-N 2.83Å; S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 VanDerWaalsContact O-N 3.09Å; E121-G123 VanDerWaalsContact C-N 3.33Å |
| 124 | A | 97.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | trans | -73.8 | 147.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A17 L30 V32 S122 L126 | A17-A124 HydrophobicContact CB-CB 4.44Å; L30-A124 HydrophobicContact CB-CB 3.7Å; L30-A124 WeakPolarHBondContact O-CA 3.36Å; L30-A124 WeakPolarHBondContact O-CB 3.43Å; V32-A124 HydrophobicContact CG2-CB 3.87Å; S122-A124 PolarHBondContact O-N 2.82Å; S122-A124 VanDerWaalsContact OG-CB 3.26Å; S122-A124 WeakPolarHBondContact OG-CB 3.25Å; S122-A124 PolarHBondContact OG-N 3.28Å; S122-A124 VanDerWaalsContact OG-N 3.14Å; A124-L126 PolarHBondContact O-N 2.8Å; A124-L126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | D | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 105.3 | 173.4 | -61.5 | -43.2 | 0 | 0 | 0 | 109.2 | Q29 L30 V31 V32 Y127 | Q29-D125 PolarHBondContact NE2-OD2 3.29Å; L30-D125 PolarHBondContact O-N 2.84Å; V31-D125 WeakPolarHBondContact CA-O 3.23Å; V31-D125 HydrophobicContact CG2-CB 4.44Å; V32-D125 PolarHBondContact N-O 3.17Å; D125-Y127 HydrophobicContact CB-CD2 4.41Å; D125-Y127 HydrophobicContact CB-CE2 3.56Å; D125-Y127 WeakPolarHBondContact O-CD2 3.2Å |
| 126 | L | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.1 | -179.1 | 176.9 | 65.9 | 0 | 0 | 0 | 111.2 | A9 V32 L119 A124 L128 | A9-L126 HydrophobicContact CB-CD1 3.95Å; V32-L126 HydrophobicContact CB-CD1 3.95Å; V32-L126 HydrophobicContact CG1-CD1 3.84Å; V32-L126 WeakPolarHBondContact O-CA 3.37Å; L119-L126 HydrophobicContact CD1-CD1 4.45Å; L119-L126 HydrophobicContact CD1-CD2 4.12Å; L119-L126 HydrophobicContact CD2-CD1 4.49Å; A124-L126 PolarHBondContact O-N 2.8Å; A124-L126 VanDerWaalsContact O-N 3.09Å; L126-L128 HydrophobicContact CD1-CD2 4.16Å; L126-L128 HydrophobicContact CD2-CD2 4.41Å; L126-L128 HydrophobicContact CD2-CG 4.43Å; L126-L128 HydrophobicContact CG-CD2 4.33Å; L126-L128 HydrophobicContact CG-CG 4.31Å |
| 127 | Y | 98.5 | Very high | 98.1 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.4 | 172.7 | -57.3 | -93 | 0 | 0 | 0 | 110.5 | V31 V32 W33 D34 D125 Y130 | V31-Y127 HydrophobicContact CG1-CD2 3.81Å; V31-Y127 HydrophobicContact CG1-CE2 3.82Å; V32-Y127 PolarHBondContact O-N 2.8Å; W33-Y127 WeakPolarHBondContact CA-O 3.49Å; W33-Y127 AromaticContact CD1-CD2 3.61Å; W33-Y127 AromaticContact CD1-CG 3.97Å; W33-Y127 AromaticContact NE1-CD2 3.45Å; W33-Y127 AromaticContact NE1-CG 3.89Å; D34-Y127 PolarHBondContact N-O 3.2Å; D125-Y127 HydrophobicContact CB-CD2 4.41Å; D125-Y127 HydrophobicContact CB-CE2 3.56Å; D125-Y127 WeakPolarHBondContact O-CD2 3.2Å; Y127-Y130 AromaticContact CD1-CE1 3.9Å; Y127-Y130 HydrophobicContact CD1-CE1 3.9Å; Y127-Y130 HydrophobicContact CD1-CE2 4.15Å; Y127-Y130 AromaticContact CD1-CZ 3.64Å; Y127-Y130 HydrophobicContact CG-CD1 4.17Å; Y127-Y130 AromaticContact CG-CE1 3.9Å; Y127-Y130 HydrophobicContact CG-CE1 3.9Å; Y127-Y130 HydrophobicContact CG-CE2 4.45Å |
| 128 | L | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -94.9 | 159.1 | 175.8 | -62.8 | 173.8 | 0 | 0 | 0 | 109.7 | D34 A36 L126 Y130 | D34-L128 HydrophobicContact CB-CD2 4.08Å; D34-L128 CarbonylContact O-C 3.53Å; D34-L128 WeakPolarHBondContact O-CA 3.25Å; A36-L128 WeakPolarHBondContact O-CB 3.32Å; L126-L128 HydrophobicContact CD1-CD2 4.16Å; L126-L128 HydrophobicContact CD2-CD2 4.41Å; L126-L128 HydrophobicContact CD2-CG 4.43Å; L126-L128 HydrophobicContact CG-CD2 4.33Å; L126-L128 HydrophobicContact CG-CG 4.31Å; L128-Y130 VanDerWaalsContact O-CD2 3.28Å; L128-Y130 WeakPolarHBondContact O-CD2 3.38Å; L128-Y130 PolarHBondContact O-N 2.79Å |
| 129 | E | 97.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 54.4 Ų | 54.4 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 60 | 17.7 | -171.8 | -52.4 | -173.3 | 96.5 | 0 | 0 | 113.9 | D34 A36 R37 H131 | D34-E129 PolarHBondContact O-N 3.23Å; A36-E129 PolarHBondContact O-N 2.93Å; R37-E129 HydrophobicContact CG-CG 3.89Å; R37-E129 WeakPolarHBondContact CG-OE1 3.42Å; E129-H131 PolarHBondContact O-N 3.19Å |
| 130 | Y | 98.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | trans | -94.6 | 87.2 | 175.4 | -85.7 | -135.2 | 0 | 0 | 0 | 109.3 | W33 D34 Y127 L128 V132 R146 | W33-Y130 AromaticContact CD1-CD1 3.85Å; W33-Y130 AromaticContact CD2-CD1 3.78Å; W33-Y130 HydrophobicContact CD2-CD1 3.78Å; W33-Y130 AromaticContact CE2-CD1 3.55Å; W33-Y130 HydrophobicContact CE3-CD1 4.41Å; W33-Y130 AromaticContact CG-CD1 3.97Å; W33-Y130 HydrophobicContact CG-CD1 3.97Å; W33-Y130 HydrophobicContact CG-CG 4.39Å; W33-Y130 HydrophobicContact CZ2-CD1 4.01Å; W33-Y130 HydrophobicContact CZ2-CE1 4.25Å; W33-Y130 AromaticContact NE1-CD1 3.57Å; W33-Y130 AromaticContact NE1-CE1 4Å; D34-Y130 CarbonylContact C-O 3.51Å; D34-Y130 PolarHBondContact O-N 3.03Å; Y127-Y130 AromaticContact CD1-CE1 3.9Å; Y127-Y130 HydrophobicContact CD1-CE1 3.9Å; Y127-Y130 HydrophobicContact CD1-CE2 4.15Å; Y127-Y130 AromaticContact CD1-CZ 3.64Å; Y127-Y130 HydrophobicContact CG-CD1 4.17Å; Y127-Y130 AromaticContact CG-CE1 3.9Å; Y127-Y130 HydrophobicContact CG-CE1 3.9Å; Y127-Y130 HydrophobicContact CG-CE2 4.45Å; L128-Y130 VanDerWaalsContact O-CD2 3.28Å; L128-Y130 WeakPolarHBondContact O-CD2 3.38Å; L128-Y130 PolarHBondContact O-N 2.79Å; Y130-V132 PolarHBondContact O-N 2.81Å; Y130-R146 VanDerWaalsContact CD1-CD 3.48Å | ||
| 131 | H | 98.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | trans | -85.1 | 105.2 | 179.1 | -172.8 | -179.1 | 0 | 0 | 0 | 111.1 | K35 E129 R146 K147 | K35-H131 HydrophobicContact CB-CB 3.69Å; E129-H131 PolarHBondContact O-N 3.19Å; H131-R146 CarbonylContact O-C 3.57Å; H131-R146 WeakPolarHBondContact O-CA 3.31Å; H131-R146 VanDerWaalsContact O-CB 3.31Å; H131-R146 WeakPolarHBondContact O-CB 3.33Å; H131-K147 HydrophobicContact CB-CD 4.3Å; H131-K147 HydrophobicContact CB-CG 4.24Å; H131-K147 PolarHBondContact O-N 3.16Å | ||
| 132 | V | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 130.1 | 171 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | V7 W33 Y130 V144 E145 L168 | V7-V132 HydrophobicContact CG1-CB 4.09Å; V7-V132 HydrophobicContact CG1-CG2 3.75Å; V7-V132 HydrophobicContact CG2-CG2 3.93Å; W33-V132 HydrophobicContact CE3-CG2 3.64Å; W33-V132 HydrophobicContact CZ3-CG2 4.26Å; Y130-V132 PolarHBondContact O-N 2.81Å; V132-V144 HydrophobicContact CG1-CG1 3.75Å; V132-V144 HydrophobicContact CG2-CG1 4.02Å; V132-E145 CarbonylContact C-O 3.46Å; V132-E145 WeakPolarHBondContact CA-O 3.4Å; V132-L168 HydrophobicContact CG1-CD2 3.93Å |
| 133 | T | 98.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 23% | 0.233 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -19.9 | -178.3 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | E145 K147 Q169 | T133-E145 PolarHBondContact N-O 2.81Å; T133-E145 PolarHBondContact OG1-O 2.8Å; T133-K147 HydrophobicContact CG2-CG 4.1Å; T133-Q169 WeakPolarHBondContact O-CB 3.38Å; T133-Q169 PolarHBondContact O-N 3.21Å |
| 134 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 157.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E145 Q169 | G134-E145 PolarHBondContact N-O 2.86Å; G134-E145 PolarHBondContact O-N 3.27Å; G134-Q169 CarbonylContact C-O 3.53Å; G134-Q169 WeakPolarHBondContact CA-O 3.49Å |
| 135 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.8 | 178.4 | -69.7 | 171.8 | 0 | 0 | 0 | 109.3 | V144 V156 L158 L168 Q169 G170 D171 L311 | L135-V144 HydrophobicContact CD2-CB 4.13Å; L135-V144 HydrophobicContact CD2-CG1 3.8Å; L135-V144 HydrophobicContact CD2-CG2 3.65Å; L135-V156 HydrophobicContact CD2-CG1 4.19Å; L135-V156 HydrophobicContact CD2-CG2 4.39Å; L135-L158 HydrophobicContact CD1-CD1 3.93Å; L135-L158 HydrophobicContact CD1-CD2 4.24Å; L135-L168 HydrophobicContact CD1-CD1 3.81Å; L135-L168 HydrophobicContact CG-CD1 4.31Å; L135-Q169 PolarHBondContact N-O 2.74Å; L135-G170 CarbonylContact O-C 3.52Å; L135-G170 WeakPolarHBondContact O-CA 3.35Å; L135-D171 PolarHBondContact O-N 3.47Å; L135-L311 HydrophobicContact CD1-CD1 4.06Å; L135-L311 HydrophobicContact CD1-CD2 4.4Å |
| 136 | H | 98 | Very high | 97.3 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.9 | -179.6 | -53.4 | -93 | 0 | 0 | 0 | 109.8 | C138 K143 E145 D171 | H136-C138 PolarHBondContact O-N 2.84Å; H136-K143 HydrophobicContact CB-CB 4.38Å; H136-K143 PolarHBondContact N-O 3.11Å; H136-K143 PolarHBondContact O-N 3.14Å; H136-E145 VanDerWaalsContact CD2-CD 3.43Å; H136-E145 IonicContact CD2-OE1 3.98Å; H136-E145 IonicContact CD2-OE2 2.94Å; H136-E145 IonicContact CE1-OE2 3.85Å; H136-E145 IonicContact NE2-OE1 3.78Å; H136-E145 PolarHBondContact NE2-OE1 3.5Å; H136-E145 IonicContact NE2-OE2 3.43Å; H136-E145 PolarHBondContact NE2-OE2 3.33Å; H136-D171 WeakPolarHBondContact CA-OD2 3.46Å |
| 137 | R | 96.7 | Very high | 97 | Very high | 120 Ų | 120 | 54 Ų | 54 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.4 | 177.3 | -173 | 175.7 | 174.4 | 178.7 | 1.2 | 109 | W142 D171 Q308 P309 | R137-W142 HydrophobicContact CB-CE3 4.31Å; R137-W142 HydrophobicContact CB-CH2 4.27Å; R137-W142 HydrophobicContact CB-CZ3 3.78Å; R137-W142 HydrophobicContact CG-CZ3 4.42Å; R137-D171 PolarHBondContact N-OD2 2.83Å; R137-Q308 VanDerWaalsContact CZ-O 3.23Å; R137-Q308 PolarHBondContact NH2-O 3.06Å; R137-P309 HydrophobicContact CG-CG 4.17Å |
| 138 | C | 94.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 82.3 | -179.5 | -75.8 | 0 | 0 | 0 | 0 | 109.4 | H136 A140 S141 | H136-C138 PolarHBondContact O-N 2.84Å; C138-A140 PolarHBondContact O-N 3.46Å; C138-S141 CarbonylContact C-O 3.52Å; C138-S141 WeakPolarHBondContact CA-O 3.36Å; C138-S141 PolarHBondContact N-O 2.91Å; C138-S141 PolarHBondContact O-N 3.36Å; C138-S141 VanDerWaalsContact O-N 3.09Å; C138-S141 PolarHBondContact O-OG 2.97Å |
| 139 | G | 92.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -117.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S141 | G139-S141 VanDerWaalsContact C-N 3.33Š|
| 140 | A | 92.1 | Very high | 96.4 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 15.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | C138 | C138-A140 PolarHBondContact O-N 3.46Š|
| 141 | S | 96.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.5 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | C138 G139 F153 | C138-S141 CarbonylContact C-O 3.52Å; C138-S141 WeakPolarHBondContact CA-O 3.36Å; C138-S141 PolarHBondContact N-O 2.91Å; C138-S141 PolarHBondContact O-N 3.36Å; C138-S141 VanDerWaalsContact O-N 3.09Å; C138-S141 PolarHBondContact O-OG 2.97Å; G139-S141 VanDerWaalsContact C-N 3.33Å; S141-F153 CarbonylContact C-O 3.6Å; S141-F153 WeakPolarHBondContact CA-O 3.24Å; S141-F153 WeakPolarHBondContact CB-O 3.49Å |
| 142 | W | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.5 | 170.5 | -65.9 | 104.9 | 0 | 0 | 0 | 110.5 | R137 V144 K152 F153 V156 L175 P309 L310 L311 | R137-W142 HydrophobicContact CB-CE3 4.31Å; R137-W142 HydrophobicContact CB-CH2 4.27Å; R137-W142 HydrophobicContact CB-CZ3 3.78Å; R137-W142 HydrophobicContact CG-CZ3 4.42Å; W142-V144 HydrophobicContact CB-CG2 4.12Å; W142-K152 CarbonylContact O-C 3.56Å; W142-K152 WeakPolarHBondContact O-CA 3.32Å; W142-F153 PolarHBondContact N-O 2.61Å; W142-F153 PolarHBondContact O-N 3.44Å; W142-V156 HydrophobicContact CB-CG2 3.75Å; W142-V156 HydrophobicContact CG-CG2 3.72Å; W142-L175 HydrophobicContact CH2-CD1 3.45Å; W142-L175 VanDerWaalsContact CH2-CD1 3.45Å; W142-L175 HydrophobicContact CZ3-CD1 3.9Å; W142-P309 HydrophobicContact CD2-CG 4.03Å; W142-P309 HydrophobicContact CG-CB 4.49Å; W142-P309 HydrophobicContact CG-CG 4.25Å; W142-P309 HydrophobicContact CZ2-CG 3.86Å; W142-P309 VanDerWaalsContact CZ2-O 3.23Å; W142-P309 WeakPolarHBondContact CZ2-O 3.29Å; W142-P309 PolarHBondContact NE1-O 3.41Å; W142-L310 PolarHBondContact NE1-O 3.24Å; W142-L311 HydrophobicContact CH2-CB 4.23Å; W142-L311 HydrophobicContact CH2-CD2 3.94Å; W142-L311 HydrophobicContact CZ2-CB 3.45Å; W142-L311 VanDerWaalsContact CZ2-CB 3.45Å; W142-L311 HydrophobicContact CZ2-CD2 4Å; W142-L311 HydrophobicContact CZ2-CG 4.33Å; W142-L311 HydrophobicContact CZ3-CD2 4.44Å |
| 143 | K | 98.4 | Very high | 96.4 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 27% | 0.274 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.7 | 158.5 | -179.4 | -168.5 | 175.7 | -149.3 | 0 | 107.7 | H136 E145 S150 | H136-K143 HydrophobicContact CB-CB 4.38Å; H136-K143 PolarHBondContact N-O 3.11Å; H136-K143 PolarHBondContact O-N 3.14Å; K143-E145 IonicContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact NZ-OE1 2.97Å; K143-S150 WeakPolarHBondContact CE-OG 3.34Å |
| 144 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119 | -179.9 | -173 | 0 | 0 | 0 | 0 | 108.8 | L5 W33 V132 L135 W142 S150 E151 F153 V156 | L5-V144 HydrophobicContact CD2-CB 4.03Å; L5-V144 HydrophobicContact CD2-CG1 3.65Å; L5-V144 HydrophobicContact CD2-CG2 3.79Å; W33-V144 HydrophobicContact CE3-CG1 4.32Å; W33-V144 HydrophobicContact CZ3-CB 4.17Å; W33-V144 HydrophobicContact CZ3-CG1 3.77Å; V132-V144 HydrophobicContact CG1-CG1 3.75Å; V132-V144 HydrophobicContact CG2-CG1 4.02Å; L135-V144 HydrophobicContact CD2-CB 4.13Å; L135-V144 HydrophobicContact CD2-CG1 3.8Å; L135-V144 HydrophobicContact CD2-CG2 3.65Å; W142-V144 HydrophobicContact CB-CG2 4.12Å; V144-S150 CarbonylContact O-C 3.45Å; V144-S150 WeakPolarHBondContact O-CA 3.06Å; V144-S150 WeakPolarHBondContact O-CB 3.31Å; V144-E151 PolarHBondContact N-O 2.81Å; V144-E151 PolarHBondContact O-N 2.59Å; V144-F153 HydrophobicContact CB-CD2 4.07Å; V144-F153 HydrophobicContact CB-CE2 4.21Å; V144-F153 HydrophobicContact CG2-CD2 3.56Å; V144-F153 HydrophobicContact CG2-CE2 4.17Å; V144-V156 HydrophobicContact CG2-CG2 3.77Å |
| 145 | E | 98.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138 | 179 | -69.3 | -176.9 | 166.3 | 0 | 0 | 110.6 | V132 T133 G134 H136 K143 | V132-E145 CarbonylContact C-O 3.46Å; V132-E145 WeakPolarHBondContact CA-O 3.4Å; T133-E145 PolarHBondContact N-O 2.81Å; T133-E145 PolarHBondContact OG1-O 2.8Å; G134-E145 PolarHBondContact N-O 2.86Å; G134-E145 PolarHBondContact O-N 3.27Å; H136-E145 VanDerWaalsContact CD2-CD 3.43Å; H136-E145 IonicContact CD2-OE1 3.98Å; H136-E145 IonicContact CD2-OE2 2.94Å; H136-E145 IonicContact CE1-OE2 3.85Å; H136-E145 IonicContact NE2-OE1 3.78Å; H136-E145 PolarHBondContact NE2-OE1 3.5Å; H136-E145 IonicContact NE2-OE2 3.43Å; H136-E145 PolarHBondContact NE2-OE2 3.33Å; K143-E145 IonicContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact NZ-OE1 2.97Å |
| 146 | R | 96.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 168.2 | 172.4 | 59.5 | 155.4 | 175.7 | 78.1 | 5.1 | 110.2 | W33 Y130 H131 G148 G149 | W33-R146 HydrophobicContact CZ3-CB 4.29Å; W33-R146 HydrophobicContact CZ3-CG 4.34Å; Y130-R146 VanDerWaalsContact CD1-CD 3.48Å; H131-R146 CarbonylContact O-C 3.57Å; H131-R146 WeakPolarHBondContact O-CA 3.31Å; H131-R146 VanDerWaalsContact O-CB 3.31Å; H131-R146 WeakPolarHBondContact O-CB 3.33Å; R146-G148 PolarHBondContact NH1-O 2.87Å; R146-G148 PolarHBondContact O-N 2.96Å; R146-G149 VanDerWaalsContact CG-O 3.3Å; R146-G149 WeakPolarHBondContact CG-O 3.32Å; R146-G149 PolarHBondContact N-O 2.62Å; R146-G149 PolarHBondContact O-N 3.35Å |
| 147 | K | 92 | Very high | 96.3 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 61% | 0.609 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 119.4 | 165.6 | -69.1 | -168.5 | 174.1 | -168.8 | 0 | 109.8 | H131 T133 | H131-K147 HydrophobicContact CB-CD 4.3Å; H131-K147 HydrophobicContact CB-CG 4.24Å; H131-K147 PolarHBondContact O-N 3.16Å; T133-K147 HydrophobicContact CG2-CG 4.1Å |
| 148 | G | 91.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 80% | 0.804 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R146 | R146-G148 PolarHBondContact NH1-O 2.87Å; R146-G148 PolarHBondContact O-N 2.96Å |
| 149 | G | 95.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | -173.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R146 | R146-G149 VanDerWaalsContact CG-O 3.3Å; R146-G149 WeakPolarHBondContact CG-O 3.32Å; R146-G149 PolarHBondContact N-O 2.62Å; R146-G149 PolarHBondContact O-N 3.35Å |
| 150 | S | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 149.1 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | K143 V144 | K143-S150 WeakPolarHBondContact CE-OG 3.34Å; V144-S150 CarbonylContact O-C 3.45Å; V144-S150 WeakPolarHBondContact O-CA 3.06Å; V144-S150 WeakPolarHBondContact O-CB 3.31Å |
| 151 | E | 98.2 | Very high | 97.2 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 163.7 | 174.2 | -66.2 | -177.4 | -134.2 | 0 | 0 | 111.4 | R3 W33 V144 F153 | R3-E151 IonicContact CZ-OE2 2.69Å; R3-E151 IonicContact NH1-OE2 2.82Å; R3-E151 IonicContact NH2-OE2 3.82Å; R3-E151 PolarHBondContact NH2-OE2 3.03Å; W33-E151 HydrophobicContact CH2-CB 3.9Å; W33-E151 HydrophobicContact CH2-CG 4.12Å; W33-E151 HydrophobicContact CZ2-CB 4.16Å; W33-E151 HydrophobicContact CZ2-CG 4.15Å; W33-E151 WeakPolarHBondContact CZ2-OE1 3.34Å; V144-E151 PolarHBondContact N-O 2.81Å; V144-E151 PolarHBondContact O-N 2.59Å; E151-F153 HydrophobicContact CB-CE2 3.75Å; E151-F153 HydrophobicContact CB-CZ 4.16Å |
| 152 | K | 98.1 | Very high | 97.3 | Very high | 129 Ų | 129 | 37.3 Ų | 37.3 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.2 | 177.7 | -68.1 | -173.4 | 180 | -178.3 | 0 | 112.7 | R3 W142 | R3-K152 PolarHBondContact NH1-O 2.94Å; W142-K152 CarbonylContact O-C 3.56Å; W142-K152 WeakPolarHBondContact O-CA 3.32Å |
| 153 | F | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.9 | 177.6 | -62.7 | -86.4 | 0 | 0 | 0 | 110.8 | R3 L5 V31 W33 S141 W142 V144 E151 V156 | R3-F153 HydrophobicContact CB-CD1 3.88Å; L5-F153 HydrophobicContact CB-CB 4.21Å; L5-F153 HydrophobicContact CB-CD1 3.58Å; L5-F153 HydrophobicContact CB-CD2 3.95Å; L5-F153 HydrophobicContact CB-CE1 3.84Å; L5-F153 HydrophobicContact CB-CE2 4.17Å; L5-F153 HydrophobicContact CB-CG 3.63Å; L5-F153 HydrophobicContact CB-CZ 4.12Å; L5-F153 HydrophobicContact CD1-CE1 4.2Å; L5-F153 HydrophobicContact CD1-CE2 4.35Å; L5-F153 HydrophobicContact CD1-CZ 3.96Å; L5-F153 HydrophobicContact CD2-CD2 3.97Å; L5-F153 HydrophobicContact CD2-CE2 3.83Å; L5-F153 HydrophobicContact CD2-CZ 4.27Å; L5-F153 HydrophobicContact CG-CD2 4.49Å; L5-F153 HydrophobicContact CG-CE1 4.49Å; L5-F153 HydrophobicContact CG-CE2 4.34Å; L5-F153 HydrophobicContact CG-CZ 4.34Å; V31-F153 HydrophobicContact CB-CE1 3.85Å; V31-F153 HydrophobicContact CB-CZ 4.49Å; V31-F153 HydrophobicContact CG1-CE1 4.14Å; V31-F153 HydrophobicContact CG1-CZ 4.3Å; V31-F153 HydrophobicContact CG2-CE1 3.91Å; W33-F153 AromaticContact CH2-CE2 3.65Å; W33-F153 HydrophobicContact CH2-CE2 3.65Å; W33-F153 AromaticContact CH2-CZ 3.96Å; W33-F153 HydrophobicContact CH2-CZ 3.96Å; W33-F153 AromaticContact CZ2-CE2 3.79Å; W33-F153 HydrophobicContact CZ2-CE2 3.79Å; W33-F153 AromaticContact CZ2-CZ 3.56Å; W33-F153 HydrophobicContact CZ2-CZ 3.56Å; W33-F153 HydrophobicContact CZ3-CE2 4.21Å; S141-F153 CarbonylContact C-O 3.6Å; S141-F153 WeakPolarHBondContact CA-O 3.24Å; S141-F153 WeakPolarHBondContact CB-O 3.49Å; W142-F153 PolarHBondContact N-O 2.61Å; W142-F153 PolarHBondContact O-N 3.44Å; V144-F153 HydrophobicContact CB-CD2 4.07Å; V144-F153 HydrophobicContact CB-CE2 4.21Å; V144-F153 HydrophobicContact CG2-CD2 3.56Å; V144-F153 HydrophobicContact CG2-CE2 4.17Å; E151-F153 HydrophobicContact CB-CE2 3.75Å; E151-F153 HydrophobicContact CB-CZ 4.16Å; F153-V156 HydrophobicContact CB-CG2 4.31Å |
| 154 | D | 96.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -82.7 | -28.2 | 178.9 | -55.4 | -60.5 | 0 | 0 | 0 | 111.4 | S2 R3 | S2-D154 VanDerWaalsContact CA-OD2 3.23Å; S2-D154 WeakPolarHBondContact CA-OD2 3.41Å; R3-D154 PolarHBondContact N-OD2 3.16Å; R3-D154 PolarHBondContact O-N 2.89Å |
| 155 | A | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R3 V4 L5 L310 | R3-A155 PolarHBondContact O-N 3.03Å; V4-A155 HydrophobicContact CG1-CB 4.28Å; V4-A155 HydrophobicContact CG2-CB 4.28Å; L5-A155 PolarHBondContact N-O 3.17Å; A155-L310 WeakPolarHBondContact CA-O 3.42Å; A155-L310 HydrophobicContact CB-CB 3.97Å; A155-L310 HydrophobicContact CB-CD2 4.37Å |
| 156 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | L5 V7 L135 W142 V144 F153 L158 L310 L311 I312 | L5-V156 HydrophobicContact CB-CG2 4.32Å; L5-V156 CarbonylContact O-C 3.59Å; L5-V156 WeakPolarHBondContact O-CA 3.33Å; V7-V156 HydrophobicContact CG2-CG1 4.3Å; L135-V156 HydrophobicContact CD2-CG1 4.19Å; L135-V156 HydrophobicContact CD2-CG2 4.39Å; W142-V156 HydrophobicContact CB-CG2 3.75Å; W142-V156 HydrophobicContact CG-CG2 3.72Å; V144-V156 HydrophobicContact CG2-CG2 3.77Å; F153-V156 HydrophobicContact CB-CG2 4.31Å; V156-L158 HydrophobicContact CG1-CD2 3.78Å; V156-L158 HydrophobicContact CG1-CG 4.29Å; V156-L310 PolarHBondContact N-O 3.33Å; V156-L311 HydrophobicContact CB-CD1 3.82Å; V156-L311 HydrophobicContact CG1-CD1 3.85Å; V156-L311 WeakPolarHBondContact O-CA 3.39Å; V156-I312 PolarHBondContact O-N 2.97Å |
| 157 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | V4 L5 I6 V7 T159 I312 V333 L337 | V4-V157 HydrophobicContact CG1-CG2 4.37Å; L5-V157 PolarHBondContact O-N 3.06Å; I6-V157 CarbonylContact C-O 3.52Å; I6-V157 WeakPolarHBondContact CA-O 3.36Å; I6-V157 HydrophobicContact CB-CB 4.48Å; I6-V157 HydrophobicContact CG1-CB 4.05Å; I6-V157 HydrophobicContact CG1-CG2 4.25Å; V7-V157 PolarHBondContact N-O 3.05Å; V157-T159 HydrophobicContact CG1-CG2 3.84Å; V157-I312 CarbonylContact C-O 3.6Å; V157-I312 WeakPolarHBondContact CA-O 3.46Å; V157-I312 HydrophobicContact CB-CG2 4.03Å; V157-I312 HydrophobicContact CG1-CG2 3.98Å; V157-I312 HydrophobicContact CG2-CG2 3.68Å; V157-V333 HydrophobicContact CG1-CG1 3.65Å; V157-V333 HydrophobicContact CG2-CG1 4.21Å; V157-L337 HydrophobicContact CG2-CD1 3.91Å |
| 158 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.9 | 175.9 | -58 | -178 | 0 | 0 | 0 | 109.9 | V7 L135 V156 I165 L168 L311 I312 C313 G314 | V7-L158 HydrophobicContact CB-CD2 3.78Å; V7-L158 HydrophobicContact CG1-CD2 4.45Å; V7-L158 HydrophobicContact CG2-CD2 3.62Å; L135-L158 HydrophobicContact CD1-CD1 3.93Å; L135-L158 HydrophobicContact CD1-CD2 4.24Å; V156-L158 HydrophobicContact CG1-CD2 3.78Å; V156-L158 HydrophobicContact CG1-CG 4.29Å; L158-I165 HydrophobicContact CB-CD1 3.99Å; L158-I165 HydrophobicContact CB-CG1 4.27Å; L158-I165 HydrophobicContact CD1-CG1 4.34Å; L158-I165 HydrophobicContact CD1-CG2 3.86Å; L158-L168 HydrophobicContact CD1-CD1 3.91Å; L158-L168 HydrophobicContact CD2-CD1 4.26Å; L158-L311 HydrophobicContact CD1-CD1 4.07Å; L158-L311 HydrophobicContact CG-CD1 4.07Å; L158-I312 PolarHBondContact N-O 2.79Å; L158-C313 CarbonylContact O-C 3.52Å; L158-C313 WeakPolarHBondContact O-CA 3.27Å; L158-G314 PolarHBondContact O-N 2.79Å |
| 159 | T | 98.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | trans | -116.5 | 11.1 | 177.3 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | I6 V7 G8 T12 V157 G314 | I6-T159 HydrophobicContact CG2-CG2 4.33Å; V7-T159 PolarHBondContact O-N 2.86Å; V7-T159 PolarHBondContact O-OG1 2.85Å; G8-T159 PolarHBondContact O-OG1 3.24Å; T12-T159 HydrophobicContact CG2-CG2 4.12Å; V157-T159 HydrophobicContact CG1-CG2 3.84Å; T159-G314 WeakPolarHBondContact CA-O 3.36Å | ||
| 160 | I | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 39 Ų | 39 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -78.9 | 157 | 175.7 | 64.2 | -177.5 | 0 | 0 | 0 | 111 | V7 V162 Q164 I165 | V7-I160 HydrophobicContact CG1-CD1 4.42Å; V7-I160 HydrophobicContact CG1-CG2 3.98Å; I160-V162 PolarHBondContact O-N 2.9Å; I160-Q164 HydrophobicContact CB-CB 4.42Å; I160-Q164 HydrophobicContact CD1-CB 3.85Å; I160-Q164 HydrophobicContact CG1-CB 4.13Å; I160-I165 HydrophobicContact CD1-CG1 4.16Å; I160-I165 HydrophobicContact CG1-CD1 4.41Å; I160-I165 HydrophobicContact CG1-CG1 3.55Å; I160-I165 WeakPolarHBondContact O-CD1 3.48Å |
| 161 | P | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | trans | -52.3 | 138.9 | 176.5 | -27.9 | 35.2 | 0 | 0 | 0 | 112.7 | P163 Q164 I165 Y189 Y289 | P161-P163 VanDerWaalsContact C-N 3.34Å; P161-P163 VanDerWaalsContact O-N 3.16Å; P161-Q164 WeakPolarHBondContact O-CA 3.23Å; P161-Q164 VanDerWaalsContact O-CB 3.31Å; P161-Q164 WeakPolarHBondContact O-CB 3.39Å; P161-Q164 PolarHBondContact O-N 3.07Å; P161-I165 PolarHBondContact O-N 3.48Å; P161-Y189 HydrophobicContact CB-CE1 4.36Å; P161-Y289 HydrophobicContact CB-CD2 3.91Å; P161-Y289 HydrophobicContact CB-CG 4.01Å; P161-Y289 HydrophobicContact CG-CD2 4.15Å; P161-Y289 HydrophobicContact CG-CG 4.42Å | ||
| 162 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -49.7 | -42.4 | -175.3 | 170 | 0 | 0 | 0 | 0 | 114.3 | I160 Q164 I165 L166 L184 V187 Y189 A317 F318 | I160-V162 PolarHBondContact O-N 2.9Å; V162-Q164 PolarHBondContact O-N 2.98Å; V162-I165 WeakPolarHBondContact O-CA 3.49Å; V162-I165 WeakPolarHBondContact O-CB 3.45Å; V162-I165 PolarHBondContact O-N 2.77Å; V162-L166 HydrophobicContact CG1-CD1 4.08Å; V162-L166 HydrophobicContact CG1-CG 4.29Å; V162-L166 PolarHBondContact O-N 2.79Å; V162-L184 HydrophobicContact CG1-CB 3.77Å; V162-L184 HydrophobicContact CG1-CD2 3.82Å; V162-L184 HydrophobicContact CG1-CG 4.35Å; V162-L184 VanDerWaalsContact CG1-O 3.25Å; V162-L184 WeakPolarHBondContact CG1-O 3.26Å; V162-L184 HydrophobicContact CG2-CD2 4.02Å; V162-V187 HydrophobicContact CB-CB 4.25Å; V162-V187 HydrophobicContact CB-CG1 4.18Å; V162-V187 HydrophobicContact CB-CG2 4.41Å; V162-V187 HydrophobicContact CG1-CB 4.16Å; V162-V187 HydrophobicContact CG1-CG2 4.2Å; V162-V187 HydrophobicContact CG2-CG1 4.35Å; V162-V187 HydrophobicContact CG2-CG2 4.26Å; V162-Y189 PolarHBondContact N-OH 3.34Å; V162-A317 HydrophobicContact CG2-CB 3.51Å; V162-F318 HydrophobicContact CG2-CE2 4.07Å; V162-F318 HydrophobicContact CG2-CZ 4.05Å |
| 163 | P | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -30.1 | 174.4 | -29.7 | 37.4 | 0 | 0 | 0 | 114.3 | P161 Q167 Y189 Y289 | P161-P163 VanDerWaalsContact C-N 3.34Å; P161-P163 VanDerWaalsContact O-N 3.16Å; P163-Q167 WeakPolarHBondContact O-CG 3.33Å; P163-Q167 PolarHBondContact O-N 3.45Å; P163-Y189 VanDerWaalsContact CD-CE2 3.49Å; P163-Y189 HydrophobicContact CG-CD2 4.23Å; P163-Y189 HydrophobicContact CG-CE2 4.12Å; P163-Y289 HydrophobicContact CB-CD1 4.49Å; P163-Y289 HydrophobicContact CB-CE1 3.66Å; P163-Y289 HydrophobicContact CB-CE2 4.33Å; P163-Y289 WeakPolarHBondContact CB-OH 3.45Å; P163-Y289 HydrophobicContact CG-CD1 4.07Å; P163-Y289 HydrophobicContact CG-CE1 3.6Å |
| 164 | Q | 98.3 | Very high | 97 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.3 | -32.4 | 173.9 | -62.4 | -179.4 | -8.2 | 0 | 0 | 111.7 | I160 P161 V162 Q167 Y289 | I160-Q164 HydrophobicContact CB-CB 4.42Å; I160-Q164 HydrophobicContact CD1-CB 3.85Å; I160-Q164 HydrophobicContact CG1-CB 4.13Å; P161-Q164 WeakPolarHBondContact O-CA 3.23Å; P161-Q164 VanDerWaalsContact O-CB 3.31Å; P161-Q164 WeakPolarHBondContact O-CB 3.39Å; P161-Q164 PolarHBondContact O-N 3.07Å; V162-Q164 PolarHBondContact O-N 2.98Å; Q164-Q167 PolarHBondContact O-N 2.94Å; Q164-Y289 HydrophobicContact CG-CD2 4.44Å; Q164-Y289 HydrophobicContact CG-CE2 3.94Å |
| 165 | I | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 171.3 | -60.8 | 179.4 | 0 | 0 | 0 | 109.6 | L158 I160 P161 V162 Q167 L168 L172 C313 | L158-I165 HydrophobicContact CB-CD1 3.99Å; L158-I165 HydrophobicContact CB-CG1 4.27Å; L158-I165 HydrophobicContact CD1-CG1 4.34Å; L158-I165 HydrophobicContact CD1-CG2 3.86Å; I160-I165 HydrophobicContact CD1-CG1 4.16Å; I160-I165 HydrophobicContact CG1-CD1 4.41Å; I160-I165 HydrophobicContact CG1-CG1 3.55Å; I160-I165 WeakPolarHBondContact O-CD1 3.48Å; P161-I165 PolarHBondContact O-N 3.48Å; V162-I165 WeakPolarHBondContact O-CA 3.49Å; V162-I165 WeakPolarHBondContact O-CB 3.45Å; V162-I165 PolarHBondContact O-N 2.77Å; I165-Q167 PolarHBondContact O-N 3.44Å; I165-Q167 VanDerWaalsContact O-N 3.15Å; I165-L168 WeakPolarHBondContact O-CB 3.31Å; I165-L168 WeakPolarHBondContact O-CG 3.27Å; I165-L168 PolarHBondContact O-N 3.3Å; I165-L172 HydrophobicContact CG2-CD2 3.78Å; I165-L172 WeakPolarHBondContact O-CD2 3.31Å; I165-C313 HydrophobicContact CD1-CB 4.15Å |
| 166 | L | 98.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15 | -179.9 | -66 | 174.4 | 0 | 0 | 0 | 114 | V162 L176 L184 E185 | V162-L166 HydrophobicContact CG1-CD1 4.08Å; V162-L166 HydrophobicContact CG1-CG 4.29Å; V162-L166 PolarHBondContact O-N 2.79Å; L166-L176 HydrophobicContact CD2-CD1 4.29Å; L166-L184 HydrophobicContact CD1-CB 4.28Å; L166-L184 HydrophobicContact CD2-CB 4.05Å; L166-L184 HydrophobicContact CD2-CD1 4.25Å; L166-L184 HydrophobicContact CG-CB 4.44Å; L166-E185 HydrophobicContact CD1-CG 3.93Å |
| 167 | Q | 97.2 | Very high | 96.8 | Very high | 134 Ų | 134 | 39.7 Ų | 39.7 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9 | 175.5 | -76.2 | 170.5 | 3.8 | 0 | 0 | 113.6 | P163 Q164 I165 Q169 | P163-Q167 WeakPolarHBondContact O-CG 3.33Å; P163-Q167 PolarHBondContact O-N 3.45Å; Q164-Q167 PolarHBondContact O-N 2.94Å; I165-Q167 PolarHBondContact O-N 3.44Å; I165-Q167 VanDerWaalsContact O-N 3.15Å; Q167-Q169 PolarHBondContact O-N 3.28Å |
| 168 | L | 98.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | trans | -67 | 134.1 | 178 | -63.8 | 179.6 | 0 | 0 | 0 | 110.7 | V132 L135 L158 I165 L172 | V132-L168 HydrophobicContact CG1-CD2 3.93Å; L135-L168 HydrophobicContact CD1-CD1 3.81Å; L135-L168 HydrophobicContact CG-CD1 4.31Å; L158-L168 HydrophobicContact CD1-CD1 3.91Å; L158-L168 HydrophobicContact CD2-CD1 4.26Å; I165-L168 WeakPolarHBondContact O-CB 3.31Å; I165-L168 WeakPolarHBondContact O-CG 3.27Å; I165-L168 PolarHBondContact O-N 3.3Å; L168-L172 HydrophobicContact CB-CD2 3.99Å; L168-L172 HydrophobicContact CD1-CD2 4.32Å | ||
| 169 | Q | 97.2 | Very high | 96.7 | Very high | 130 Ų | 130 | 50.8 Ų | 50.8 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 170.2 | 176.3 | -60 | 174.9 | -1.4 | 0 | 0 | 111.4 | T133 G134 L135 Q167 | T133-Q169 WeakPolarHBondContact O-CB 3.38Å; T133-Q169 PolarHBondContact O-N 3.21Å; G134-Q169 CarbonylContact C-O 3.53Å; G134-Q169 WeakPolarHBondContact CA-O 3.49Å; L135-Q169 PolarHBondContact N-O 2.74Å; Q167-Q169 PolarHBondContact O-N 3.28Å |
| 170 | G | 95.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.5 | -146.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L135 L172 | L135-G170 CarbonylContact O-C 3.52Å; L135-G170 WeakPolarHBondContact O-CA 3.35Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 3.17Å |
| 171 | D | 95.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.5 | -166 | -61.3 | -39.6 | 0 | 0 | 0 | 113.9 | L135 H136 R137 G173 T174 L175 | L135-D171 PolarHBondContact O-N 3.47Å; H136-D171 WeakPolarHBondContact CA-OD2 3.46Å; R137-D171 PolarHBondContact N-OD2 2.83Å; D171-G173 PolarHBondContact O-N 3.41Å; D171-T174 PolarHBondContact O-N 3.49Å; D171-T174 VanDerWaalsContact O-N 3.14Å; D171-T174 PolarHBondContact O-OG1 3.41Å; D171-L175 HydrophobicContact CB-CD1 4.11Å; D171-L175 HydrophobicContact CB-CG 4.49Å; D171-L175 WeakPolarHBondContact O-CD1 3.43Å; D171-L175 WeakPolarHBondContact O-CG 3.46Å; D171-L175 PolarHBondContact O-N 2.84Å; D171-L175 VanDerWaalsContact O-N 3.07Å |
| 172 | L | 92.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.7 | -43.2 | 179.6 | 179.3 | 70.4 | 0 | 0 | 0 | 111.7 | I165 L168 G170 T174 L175 L176 I305 L311 | I165-L172 HydrophobicContact CG2-CD2 3.78Å; I165-L172 WeakPolarHBondContact O-CD2 3.31Å; L168-L172 HydrophobicContact CB-CD2 3.99Å; L168-L172 HydrophobicContact CD1-CD2 4.32Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 3.17Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 3.45Å; L172-L175 PolarHBondContact O-N 2.82Å; L172-L176 HydrophobicContact CG-CD1 4.39Å; L172-L176 WeakPolarHBondContact O-CG 3.28Å; L172-L176 PolarHBondContact O-N 3.01Å; L172-I305 HydrophobicContact CD1-CG2 4.13Å; L172-L311 HydrophobicContact CD1-CD2 3.78Å |
| 173 | G | 90.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -31 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | D171 R181 | D171-G173 PolarHBondContact O-N 3.41Å; G173-R181 VanDerWaalsContact CA-NH2 3.34Å; G173-R181 PolarHBondContact O-NH2 2.92Å |
| 174 | T | 93.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 60.4 Ų | 60.4 | 71% | 0.712 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -87.2 | -23.9 | -179.8 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | D171 L172 | D171-T174 PolarHBondContact O-N 3.49Å; D171-T174 VanDerWaalsContact O-N 3.14Å; D171-T174 PolarHBondContact O-OG1 3.41Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 PolarHBondContact O-N 3.45Å |
| 175 | L | 95.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80.5 | -26.4 | 178.3 | -68.6 | 166.6 | 0 | 0 | 0 | 113.6 | W142 D171 L172 S177 I305 | W142-L175 HydrophobicContact CH2-CD1 3.45Å; W142-L175 VanDerWaalsContact CH2-CD1 3.45Å; W142-L175 HydrophobicContact CZ3-CD1 3.9Å; D171-L175 HydrophobicContact CB-CD1 4.11Å; D171-L175 HydrophobicContact CB-CG 4.49Å; D171-L175 WeakPolarHBondContact O-CD1 3.43Å; D171-L175 WeakPolarHBondContact O-CG 3.46Å; D171-L175 PolarHBondContact O-N 2.84Å; D171-L175 VanDerWaalsContact O-N 3.07Å; L172-L175 PolarHBondContact O-N 2.82Å; L175-S177 PolarHBondContact O-N 2.79Å; L175-I305 HydrophobicContact CB-CG2 4.05Å |
| 176 | L | 96.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -65.1 | 125.6 | 175.3 | -74.2 | 165.5 | 0 | 0 | 0 | 110.4 | L166 L172 Q180 R181 L184 I305 | L166-L176 HydrophobicContact CD2-CD1 4.29Å; L172-L176 HydrophobicContact CG-CD1 4.39Å; L172-L176 WeakPolarHBondContact O-CG 3.28Å; L172-L176 PolarHBondContact O-N 3.01Å; L176-Q180 HydrophobicContact CD2-CB 3.84Å; L176-R181 HydrophobicContact CB-CB 4.38Å; L176-L184 HydrophobicContact CD1-CD1 4.29Å; L176-L184 HydrophobicContact CD2-CD1 3.67Å; L176-I305 HydrophobicContact CD2-CD1 3.62Å; L176-I305 HydrophobicContact CD2-CG1 4.41Å; L176-I305 HydrophobicContact CD2-CG2 4.11Å; L176-I305 HydrophobicContact CG-CG2 4.36Å |
| 177 | S | 96.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | trans | -63 | 158.5 | 165.9 | 80.8 | 0 | 0 | 0 | 0 | 110.4 | L175 Q179 Q180 R181 | L175-S177 PolarHBondContact O-N 2.79Å; S177-Q179 PolarHBondContact O-N 3.28Å; S177-Q180 PolarHBondContact O-N 2.99Å; S177-Q180 VanDerWaalsContact O-N 3.14Å; S177-Q180 WeakPolarHBondContact OG-CG 3.32Å; S177-Q180 PolarHBondContact OG-N 3.46Å; S177-Q180 VanDerWaalsContact OG-N 3.11Å; S177-R181 WeakPolarHBondContact O-CB 3.14Å; S177-R181 PolarHBondContact O-N 2.64Å | ||
| 178 | V | 97.1 | Very high | 96.5 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 66% | 0.655 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -52.9 | -45.6 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | R181 E182 | V178-R181 PolarHBondContact O-N 2.93Å; V178-E182 WeakPolarHBondContact O-CG 3.45Å; V178-E182 PolarHBondContact O-N 2.78Å |
| 179 | Q | 96.8 | Very high | 96.5 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 178.4 | -174.8 | -178.5 | 10.7 | 0 | 0 | 112.6 | S177 R181 E182 Q183 | S177-Q179 PolarHBondContact O-N 3.28Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.28Å; Q179-E182 PolarHBondContact O-N 2.91Å; Q179-Q183 WeakPolarHBondContact O-CB 3.46Å; Q179-Q183 VanDerWaalsContact O-CG 3.22Å; Q179-Q183 WeakPolarHBondContact O-CG 3.32Å; Q179-Q183 PolarHBondContact O-N 3.48Å |
| 180 | Q | 97.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 178.6 | -74.2 | 174.6 | -40.5 | 0 | 0 | 111.1 | L176 S177 Q183 L184 M303 T304 | L176-Q180 HydrophobicContact CD2-CB 3.84Å; S177-Q180 PolarHBondContact O-N 2.99Å; S177-Q180 VanDerWaalsContact O-N 3.14Å; S177-Q180 WeakPolarHBondContact OG-CG 3.32Å; S177-Q180 PolarHBondContact OG-N 3.46Å; S177-Q180 VanDerWaalsContact OG-N 3.11Å; Q180-Q183 PolarHBondContact O-N 3.38Å; Q180-L184 WeakPolarHBondContact O-CB 3.06Å; Q180-L184 VanDerWaalsContact O-CG 3.27Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 2.81Å; Q180-M303 HydrophobicContact CB-CE 4.42Å; Q180-M303 HydrophobicContact CB-SD 3.86Å; Q180-M303 HydrophobicContact CG-CE 4.31Å; Q180-M303 HydrophobicContact CG-CG 4.42Å; Q180-M303 HydrophobicContact CG-SD 3.76Å; Q180-T304 PolarHBondContact NE2-O 3.37Å |
| 181 | R | 97.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 53.9 Ų | 53.9 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -52.9 | 175.7 | 174.3 | 176.3 | -70.6 | -82.3 | 2.3 | 111.5 | G173 L176 S177 V178 Q179 Q183 L184 E185 | G173-R181 VanDerWaalsContact CA-NH2 3.34Å; G173-R181 PolarHBondContact O-NH2 2.92Å; L176-R181 HydrophobicContact CB-CB 4.38Å; S177-R181 WeakPolarHBondContact O-CB 3.14Å; S177-R181 PolarHBondContact O-N 2.64Å; V178-R181 PolarHBondContact O-N 2.93Å; Q179-R181 VanDerWaalsContact C-N 3.31Å; Q179-R181 PolarHBondContact O-N 3.28Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 2.96Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-E185 WeakPolarHBondContact CD-OE1 3.48Å; R181-E185 HydrophobicContact CG-CG 4.28Å; R181-E185 WeakPolarHBondContact CG-OE1 3.45Å; R181-E185 IonicContact NH1-OE1 2.82Å; R181-E185 PolarHBondContact NH1-OE1 2.65Å; R181-E185 VanDerWaalsContact NH1-OE1 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 3.2Å |
| 182 | E | 97.4 | Very high | 96.7 | Very high | 125 Ų | 125 | 53.3 Ų | 53.3 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.4 | -42.7 | 178.6 | -73.8 | 174 | 173.2 | 0 | 0 | 111.9 | V178 Q179 E185 G186 | V178-E182 WeakPolarHBondContact O-CG 3.45Å; V178-E182 PolarHBondContact O-N 2.78Å; Q179-E182 PolarHBondContact O-N 2.91Å; E182-E185 PolarHBondContact O-N 2.71Å; E182-G186 PolarHBondContact O-N 2.67Å |
| 183 | Q | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.4 | -75.2 | 177.1 | -16.5 | 0 | 0 | 112.6 | Q179 Q180 R181 G186 V296 P297 M303 | Q179-Q183 WeakPolarHBondContact O-CB 3.46Å; Q179-Q183 VanDerWaalsContact O-CG 3.22Å; Q179-Q183 WeakPolarHBondContact O-CG 3.32Å; Q179-Q183 PolarHBondContact O-N 3.48Å; Q180-Q183 PolarHBondContact O-N 3.38Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 2.96Å; Q183-G186 PolarHBondContact O-N 2.86Å; Q183-V296 HydrophobicContact CB-CG1 4.24Å; Q183-P297 HydrophobicContact CG-CG 3.96Å; Q183-M303 HydrophobicContact CB-CE 4.25Å; Q183-M303 VanDerWaalsContact OE1-CE 3.32Å |
| 184 | L | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 177.8 | -68.6 | 176.2 | 0 | 0 | 0 | 111.6 | V162 L166 L176 Q180 R181 G186 V187 V296 M303 F318 | V162-L184 HydrophobicContact CG1-CB 3.77Å; V162-L184 HydrophobicContact CG1-CD2 3.82Å; V162-L184 HydrophobicContact CG1-CG 4.35Å; V162-L184 VanDerWaalsContact CG1-O 3.25Å; V162-L184 WeakPolarHBondContact CG1-O 3.26Å; V162-L184 HydrophobicContact CG2-CD2 4.02Å; L166-L184 HydrophobicContact CD1-CB 4.28Å; L166-L184 HydrophobicContact CD2-CB 4.05Å; L166-L184 HydrophobicContact CD2-CD1 4.25Å; L166-L184 HydrophobicContact CG-CB 4.44Å; L176-L184 HydrophobicContact CD1-CD1 4.29Å; L176-L184 HydrophobicContact CD2-CD1 3.67Å; Q180-L184 WeakPolarHBondContact O-CB 3.06Å; Q180-L184 VanDerWaalsContact O-CG 3.27Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 2.81Å; R181-L184 PolarHBondContact O-N 2.81Å; L184-G186 PolarHBondContact O-N 2.84Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.14Å; L184-V187 VanDerWaalsContact O-N 3.15Å; L184-V296 HydrophobicContact CD2-CG2 4.17Å; L184-M303 HydrophobicContact CD1-SD 4.17Å; L184-M303 HydrophobicContact CD2-CE 4.25Å; L184-M303 HydrophobicContact CD2-SD 4.19Å; L184-M303 HydrophobicContact CG-CE 4.3Å; L184-M303 HydrophobicContact CG-SD 4.12Å; L184-F318 HydrophobicContact CD2-CE1 3.94Å; L184-F318 HydrophobicContact CD2-CZ 3.88Å |
| 185 | E | 97.9 | Very high | 97.6 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -21 | 176.1 | -73.1 | 173.6 | -174.6 | 0 | 0 | 112.4 | L166 R181 E182 R188 | L166-E185 HydrophobicContact CD1-CG 3.93Å; R181-E185 WeakPolarHBondContact CD-OE1 3.48Å; R181-E185 HydrophobicContact CG-CG 4.28Å; R181-E185 WeakPolarHBondContact CG-OE1 3.45Å; R181-E185 IonicContact NH1-OE1 2.82Å; R181-E185 PolarHBondContact NH1-OE1 2.65Å; R181-E185 VanDerWaalsContact NH1-OE1 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 3.2Å; E182-E185 PolarHBondContact O-N 2.71Å; E185-R188 PolarHBondContact O-NH1 3.01Å; E185-R188 PolarHBondContact O-NH2 3.16Å |
| 186 | G | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E182 Q183 L184 R188 | E182-G186 PolarHBondContact O-N 2.67Å; Q183-G186 PolarHBondContact O-N 2.86Å; L184-G186 PolarHBondContact O-N 2.84Å; G186-R188 PolarHBondContact O-N 3.03Å; G186-R188 PolarHBondContact O-NH1 2.98Å |
| 187 | V | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | trans | -66.2 | 133.9 | -178.2 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | V162 L184 Y189 T294 V296 A317 | V162-V187 HydrophobicContact CB-CB 4.25Å; V162-V187 HydrophobicContact CB-CG1 4.18Å; V162-V187 HydrophobicContact CB-CG2 4.41Å; V162-V187 HydrophobicContact CG1-CB 4.16Å; V162-V187 HydrophobicContact CG1-CG2 4.2Å; V162-V187 HydrophobicContact CG2-CG1 4.35Å; V162-V187 HydrophobicContact CG2-CG2 4.26Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.14Å; L184-V187 VanDerWaalsContact O-N 3.15Å; V187-Y189 HydrophobicContact CG1-CD2 4.11Å; V187-Y189 HydrophobicContact CG1-CE2 3.39Å; V187-T294 WeakPolarHBondContact CA-O 3.4Å; V187-T294 WeakPolarHBondContact CG1-O 3.22Å; V187-V296 HydrophobicContact CG2-CG2 3.56Å; V187-A317 HydrophobicContact CG1-CB 3.96Å | ||
| 188 | R | 98 | Very high | 98 | Very high | 134 Ų | 134 | 41 Ų | 41 | 51% | 0.506 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141 | 179 | -63.2 | -69.2 | 174.3 | -85.4 | -0.9 | 110.7 | E185 G186 L293 T294 | E185-R188 PolarHBondContact O-NH1 3.01Å; E185-R188 PolarHBondContact O-NH2 3.16Å; G186-R188 PolarHBondContact O-N 3.03Å; G186-R188 PolarHBondContact O-NH1 2.98Å; R188-L293 HydrophobicContact CB-CB 4.34Å; R188-L293 PolarHBondContact O-N 2.95Å; R188-T294 PolarHBondContact N-O 3.4Å; R188-T294 PolarHBondContact O-N 3.25Å |
| 189 | Y | 98.4 | Very high | 98 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.6 | 173.8 | -63.5 | -103.3 | 0 | 0 | 0 | 110 | P161 V162 P163 V187 Y289 Q291 V292 A317 | P161-Y189 HydrophobicContact CB-CE1 4.36Å; V162-Y189 PolarHBondContact N-OH 3.34Å; P163-Y189 VanDerWaalsContact CD-CE2 3.49Å; P163-Y189 HydrophobicContact CG-CD2 4.23Å; P163-Y189 HydrophobicContact CG-CE2 4.12Å; V187-Y189 HydrophobicContact CG1-CD2 4.11Å; V187-Y189 HydrophobicContact CG1-CE2 3.39Å; Y189-Y289 HydrophobicContact CD2-CD1 4.07Å; Y189-Y289 HydrophobicContact CG-CD1 4.14Å; Y189-Y289 HydrophobicContact CG-CG 4.48Å; Y189-Q291 CarbonylContact C-O 3.58Å; Y189-Q291 VanDerWaalsContact CA-O 3.3Å; Y189-Q291 WeakPolarHBondContact CA-O 3.45Å; Y189-V292 HydrophobicContact CD1-CG2 3.81Å; Y189-V292 HydrophobicContact CE1-CG2 3.38Å; Y189-A317 WeakPolarHBondContact OH-CB 3.5Å |
| 190 | S | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | trans | -70.3 | 159.3 | 161.8 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | S290 Q291 | S190-S290 WeakPolarHBondContact O-CB 3.27Å; S190-S290 PolarHBondContact O-N 2.76Å; S190-Q291 PolarHBondContact N-O 3.22Å; S190-Q291 PolarHBondContact OG-N 3.46Å; S190-Q291 VanDerWaalsContact OG-N 3.12Å; S190-Q291 PolarHBondContact OG-O 3.18Å | ||
| 191 | S | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | trans | -118.7 | 143.2 | 170.9 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | G250 W287 R288 | S191-G250 WeakPolarHBondContact O-CA 3.4Å; S191-W287 WeakPolarHBondContact CA-O 3.39Å; S191-R288 PolarHBondContact OG-O 2.98Å | ||
| 192 | R | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 35 Ų | 35 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.5 | 174.7 | -67.6 | -175.2 | -175.7 | -100.2 | 9.5 | 110.9 | T245 V247 W287 | R192-T245 PolarHBondContact NH1-O 2.81Å; R192-V247 HydrophobicContact CG-CG2 4.39Å; R192-V247 VanDerWaalsContact CZ-CG2 3.49Å; R192-W287 PolarHBondContact N-O 3.18Å; R192-W287 VanDerWaalsContact N-O 3.12Å; R192-W287 WeakPolarHBondContact O-CA 3.35Å; R192-W287 WeakPolarHBondContact O-CB 3.38Å; R192-W287 PolarHBondContact O-N 3.42Å |
| 193 | F | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.6 | 162.7 | -57.7 | -75.9 | 0 | 0 | 0 | 109.8 | H244 T245 F249 H253 I261 I265 F284 Q285 K286 | F193-H244 WeakPolarHBondContact O-CA 3.45Å; F193-T245 HydrophobicContact CB-CG2 3.76Å; F193-T245 HydrophobicContact CD2-CG2 4.26Å; F193-T245 PolarHBondContact N-OG1 2.75Å; F193-T245 PolarHBondContact O-N 2.86Å; F193-F249 HydrophobicContact CD2-CD1 4.07Å; F193-F249 HydrophobicContact CD2-CE1 4.02Å; F193-F249 HydrophobicContact CE2-CD1 4.39Å; F193-F249 HydrophobicContact CE2-CE1 4.29Å; F193-H253 HydrophobicContact CE2-CB 3.95Å; F193-H253 HydrophobicContact CZ-CB 4.32Å; F193-H253 WeakPolarHBondContact CZ-O 3.31Å; F193-I261 HydrophobicContact CD2-CG2 4Å; F193-I261 HydrophobicContact CE1-CG2 4.47Å; F193-I261 HydrophobicContact CE2-CG2 3.93Å; F193-I261 HydrophobicContact CG-CG2 4.33Å; F193-I261 HydrophobicContact CZ-CG2 4.16Å; F193-I265 HydrophobicContact CB-CD1 3.76Å; F193-I265 HydrophobicContact CD2-CD1 4.37Å; F193-I265 HydrophobicContact CG-CD1 4.21Å; F193-F284 HydrophobicContact CB-CE2 4.4Å; F193-F284 HydrophobicContact CB-CZ 4.19Å; F193-F284 AromaticContact CD1-CE1 3.66Å; F193-F284 HydrophobicContact CD1-CE1 3.66Å; F193-F284 HydrophobicContact CD1-CE2 4.19Å; F193-F284 AromaticContact CD1-CZ 3.23Å; F193-F284 HydrophobicContact CD1-CZ 3.23Å; F193-F284 HydrophobicContact CE1-CE1 4.08Å; F193-F284 AromaticContact CE1-CZ 3.74Å; F193-F284 HydrophobicContact CE1-CZ 3.74Å; F193-F284 HydrophobicContact CG-CE2 4.49Å; F193-F284 AromaticContact CG-CZ 3.91Å; F193-F284 HydrophobicContact CG-CZ 3.91Å; F193-Q285 WeakPolarHBondContact CA-O 3.43Å; F193-K286 HydrophobicContact CD1-CB 4.13Å; F193-K286 HydrophobicContact CD1-CG 4.16Å; F193-K286 HydrophobicContact CE1-CB 4.06Å; F193-K286 HydrophobicContact CE1-CD 4.17Å; F193-K286 HydrophobicContact CE1-CG 3.69Å |
| 194 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L58 V243 Q285 | L58-A194 HydrophobicContact CB-CB 4.31Å; L58-A194 HydrophobicContact CD2-CB 4.02Å; L58-A194 WeakPolarHBondContact O-CB 3.49Å; A194-V243 CarbonylContact C-O 3.57Å; A194-V243 VanDerWaalsContact CA-O 3.24Å; A194-V243 WeakPolarHBondContact CA-O 3.44Å; A194-Q285 HydrophobicContact CB-CB 4.36Å; A194-Q285 PolarHBondContact N-O 2.68Å; A194-Q285 PolarHBondContact O-N 3.41Å |
| 195 | I | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 174.3 | -57.4 | -173.1 | 0 | 0 | 0 | 108 | L197 V242 V243 Q262 I265 I282 K283 F284 | I195-L197 HydrophobicContact CG2-CD1 3.9Å; I195-L197 HydrophobicContact CG2-CG 4.04Å; I195-V242 CarbonylContact O-C 3.58Å; I195-V242 WeakPolarHBondContact O-CA 3.32Å; I195-V243 PolarHBondContact N-O 3.49Å; I195-V243 PolarHBondContact O-N 2.94Å; I195-Q262 HydrophobicContact CD1-CG 4.17Å; I195-I265 HydrophobicContact CD1-CB 3.73Å; I195-I265 HydrophobicContact CD1-CD1 3.89Å; I195-I265 HydrophobicContact CD1-CG1 4.43Å; I195-I265 HydrophobicContact CD1-CG2 3.55Å; I195-I265 HydrophobicContact CG1-CD1 4.42Å; I195-I265 HydrophobicContact CG1-CG2 4.35Å; I195-I282 HydrophobicContact CG2-CG2 3.49Å; I195-I282 VanDerWaalsContact CG2-CG2 3.49Å; I195-K283 CarbonylContact C-O 3.54Å; I195-K283 WeakPolarHBondContact CA-O 3.4Å; I195-F284 HydrophobicContact CD1-CD2 3.97Å; I195-F284 HydrophobicContact CD1-CE2 4.3Å; I195-F284 HydrophobicContact CG1-CD2 3.82Å; I195-F284 HydrophobicContact CG1-CE2 4.33Å |
| 196 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A56 L58 F198 L241 V242 I282 K283 | A56-A196 HydrophobicContact CB-CB 3.52Å; L58-A196 HydrophobicContact CD2-CB 3.57Å; L58-A196 HydrophobicContact CG-CB 4.31Å; A196-F198 HydrophobicContact CB-CE2 4.03Å; A196-F198 HydrophobicContact CB-CZ 3.87Å; A196-L241 CarbonylContact C-O 3.47Å; A196-L241 VanDerWaalsContact CA-O 3.31Å; A196-L241 WeakPolarHBondContact CA-O 3.46Å; A196-V242 HydrophobicContact CB-CG2 4.47Å; A196-I282 CarbonylContact O-C 3.55Å; A196-I282 WeakPolarHBondContact O-CA 3.24Å; A196-K283 HydrophobicContact CB-CB 4.29Å; A196-K283 PolarHBondContact N-O 3.5Å; A196-K283 PolarHBondContact O-N 3.41Å |
| 197 | L | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.9 | 173.3 | -54 | 95.1 | 0 | 0 | 0 | 106.9 | I195 F199 S240 L241 V243 L266 L269 P279 | I195-L197 HydrophobicContact CG2-CD1 3.9Å; I195-L197 HydrophobicContact CG2-CG 4.04Å; L197-F199 HydrophobicContact CB-CE2 3.65Å; L197-F199 HydrophobicContact CB-CZ 3.83Å; L197-F199 WeakPolarHBondContact O-CE2 3.43Å; L197-S240 CarbonylContact O-C 3.35Å; L197-S240 WeakPolarHBondContact O-CA 3.49Å; L197-L241 HydrophobicContact CB-CB 4.37Å; L197-L241 HydrophobicContact CD1-CB 4.33Å; L197-L241 HydrophobicContact CD1-CD2 4.36Å; L197-L241 PolarHBondContact N-O 2.86Å; L197-L241 PolarHBondContact O-N 2.85Å; L197-V243 HydrophobicContact CD1-CG2 3.87Å; L197-L266 HydrophobicContact CD2-CD2 3.75Å; L197-L269 HydrophobicContact CD1-CD2 3.91Å; L197-L269 HydrophobicContact CD2-CD2 3.81Å; L197-P279 HydrophobicContact CB-CB 3.97Å; L197-P279 HydrophobicContact CB-CG 4.5Å; L197-P279 HydrophobicContact CD2-CB 4.43Å; L197-P279 HydrophobicContact CD2-CG 4.09Å |
| 198 | F | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.7 | 179.9 | -59.1 | -78.2 | 0 | 0 | 0 | 108.8 | P48 H54 A56 A196 S240 P279 V280 S281 K283 | P48-F198 HydrophobicContact CB-CB 4.17Å; P48-F198 HydrophobicContact CB-CD1 3.78Å; P48-F198 HydrophobicContact CB-CD2 4.09Å; P48-F198 HydrophobicContact CB-CE1 4.17Å; P48-F198 HydrophobicContact CB-CE2 4.43Å; P48-F198 HydrophobicContact CB-CG 3.75Å; P48-F198 HydrophobicContact CB-CZ 4.48Å; P48-F198 HydrophobicContact CG-CD1 4.17Å; P48-F198 HydrophobicContact CG-CE1 4.42Å; H54-F198 WeakPolarHBondContact O-CD1 3.47Å; H54-F198 WeakPolarHBondContact O-CE1 3.5Å; A56-F198 HydrophobicContact CB-CE1 3.79Å; A56-F198 HydrophobicContact CB-CZ 4.01Å; A196-F198 HydrophobicContact CB-CE2 4.03Å; A196-F198 HydrophobicContact CB-CZ 3.87Å; F198-S240 VanDerWaalsContact CD1-OG 3.29Å; F198-S240 WeakPolarHBondContact CD1-OG 3.4Å; F198-P279 CarbonylContact O-C 3.55Å; F198-P279 WeakPolarHBondContact O-CA 3.36Å; F198-P279 WeakPolarHBondContact O-CB 3.38Å; F198-V280 HydrophobicContact CB-CG2 4.2Å; F198-V280 VanDerWaalsContact O-CG2 3.25Å; F198-V280 WeakPolarHBondContact O-CG2 3.27Å; F198-V280 PolarHBondContact O-N 3.46Å; F198-S281 WeakPolarHBondContact CD2-OG 3.31Å; F198-S281 PolarHBondContact N-O 2.89Å; F198-S281 PolarHBondContact O-N 3.38Å; F198-K283 HydrophobicContact CE2-CB 3.88Å |
| 199 | F | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -120.1 | 161.4 | -174.3 | -62.9 | -91.9 | 0 | 0 | 0 | 111.6 | S53 L197 V203 F205 G238 P239 L241 L276 P277 P279 | S53-F199 WeakPolarHBondContact CB-O 3.33Å; S53-F199 PolarHBondContact OG-O 3.07Å; L197-F199 HydrophobicContact CB-CE2 3.65Å; L197-F199 HydrophobicContact CB-CZ 3.83Å; L197-F199 WeakPolarHBondContact O-CE2 3.43Å; F199-V203 HydrophobicContact CB-CB 3.94Å; F199-V203 HydrophobicContact CB-CG1 3.99Å; F199-V203 HydrophobicContact CB-CG2 4.04Å; F199-V203 HydrophobicContact CD1-CG1 4.08Å; F199-V203 HydrophobicContact CD1-CG2 4.34Å; F199-V203 HydrophobicContact CG-CG1 4.16Å; F199-F205 HydrophobicContact CD1-CE1 4.32Å; F199-F205 HydrophobicContact CD2-CE1 4.24Å; F199-F205 AromaticContact CD2-CZ 3.73Å; F199-F205 HydrophobicContact CD2-CZ 3.73Å; F199-F205 HydrophobicContact CE1-CE1 4.16Å; F199-F205 HydrophobicContact CE2-CE1 4.1Å; F199-F205 AromaticContact CE2-CZ 3.7Å; F199-F205 HydrophobicContact CE2-CZ 3.7Å; F199-F205 HydrophobicContact CG-CE1 4.35Å; F199-F205 HydrophobicContact CG-CZ 4.2Å; F199-F205 HydrophobicContact CZ-CE1 4.05Å; F199-F205 HydrophobicContact CZ-CZ 4.13Å; F199-G238 WeakPolarHBondContact O-CA 3.47Å; F199-P239 HydrophobicContact CB-CG 3.97Å; F199-P239 HydrophobicContact CD2-CG 4.48Å; F199-P239 WeakPolarHBondContact CD2-O 3.28Å; F199-P239 HydrophobicContact CG-CG 4.46Å; F199-P239 PolarHBondContact N-O 2.87Å; F199-L241 HydrophobicContact CE2-CB 3.7Å; F199-L241 HydrophobicContact CZ-CB 4.41Å; F199-L276 HydrophobicContact CE1-CD1 4.36Å; F199-L276 HydrophobicContact CE1-CG 4.4Å; F199-L276 HydrophobicContact CZ-CD1 4.01Å; F199-L276 HydrophobicContact CZ-CD2 4.39Å; F199-L276 HydrophobicContact CZ-CG 4.23Å; F199-P277 HydrophobicContact CD1-CB 4.42Å; F199-P277 HydrophobicContact CE1-CB 4.47Å; F199-P277 WeakPolarHBondContact CE1-O 3.35Å; F199-P279 HydrophobicContact CD1-CB 4.32Å; F199-P279 HydrophobicContact CE1-CB 4.01Å; F199-P279 HydrophobicContact CZ-CB 4.18Å | ||
| 200 | S | 96.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -71.3 | 157.7 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | D202 V203 G238 | S200-D202 WeakPolarHBondContact CB-OD1 3.49Å; S200-D202 PolarHBondContact O-N 2.85Å; S200-D202 VanDerWaalsContact O-N 3.16Å; S200-D202 PolarHBondContact OG-OD1 2.96Å; S200-V203 WeakPolarHBondContact O-CB 3.46Å; S200-V203 PolarHBondContact O-N 3.36Å; S200-V203 VanDerWaalsContact O-N 3.13Å; S200-V203 WeakPolarHBondContact OG-CG2 3.24Å; S200-G238 WeakPolarHBondContact O-CA 3.21Å | ||
| 201 | P | 96.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.5 | -177.7 | -27.6 | 36.7 | 0 | 0 | 0 | 116.2 | G236 | P201-G236 VanDerWaalsContact CG-O 3.25Å; P201-G236 WeakPolarHBondContact CG-O 3.3Å |
| 202 | D | 94.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 35.5 Ų | 35.5 | 68% | 0.684 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.2 | 180 | 60.3 | -53.6 | 0 | 0 | 0 | 113.8 | S200 V204 | S200-D202 WeakPolarHBondContact CB-OD1 3.49Å; S200-D202 PolarHBondContact O-N 2.85Å; S200-D202 VanDerWaalsContact O-N 3.16Å; S200-D202 PolarHBondContact OG-OD1 2.96Å; D202-V204 PolarHBondContact O-N 3.12Å |
| 203 | V | 95.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | trans | -71.6 | 126.8 | -179 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | F199 S200 F205 P239 P277 | F199-V203 HydrophobicContact CB-CB 3.94Å; F199-V203 HydrophobicContact CB-CG1 3.99Å; F199-V203 HydrophobicContact CB-CG2 4.04Å; F199-V203 HydrophobicContact CD1-CG1 4.08Å; F199-V203 HydrophobicContact CD1-CG2 4.34Å; F199-V203 HydrophobicContact CG-CG1 4.16Å; S200-V203 WeakPolarHBondContact O-CB 3.46Å; S200-V203 PolarHBondContact O-N 3.36Å; S200-V203 VanDerWaalsContact O-N 3.13Å; S200-V203 WeakPolarHBondContact OG-CG2 3.24Å; V203-F205 HydrophobicContact CG1-CD1 4.07Å; V203-F205 HydrophobicContact CG1-CE1 3.75Å; V203-F205 HydrophobicContact CG1-CZ 4.36Å; V203-P239 HydrophobicContact CB-CG 4.31Å; V203-P239 HydrophobicContact CG1-CG 3.98Å; V203-P277 HydrophobicContact CG1-CB 4.38Å; V203-P277 HydrophobicContact CG1-CG 3.96Å; V203-P277 HydrophobicContact CG2-CB 4.16Å; V203-P277 HydrophobicContact CG2-CG 4.44Å | ||
| 204 | V | 92.5 | Very high | 96.6 | Very high | 128 Ų | 128 | 36.2 Ų | 36.2 | 78% | 0.776 | 21% | 0.208 | S | C | * | . | trans | -120.7 | 127.1 | 170.5 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | D202 | D202-V204 PolarHBondContact O-N 3.12Š| ||
| 205 | F | 95.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | trans | -80.1 | 146 | 176.2 | -61.4 | -45.2 | 0 | 0 | 0 | 111.6 | F199 V203 F207 V225 P239 L241 L276 | F199-F205 HydrophobicContact CD1-CE1 4.32Å; F199-F205 HydrophobicContact CD2-CE1 4.24Å; F199-F205 AromaticContact CD2-CZ 3.73Å; F199-F205 HydrophobicContact CD2-CZ 3.73Å; F199-F205 HydrophobicContact CE1-CE1 4.16Å; F199-F205 HydrophobicContact CE2-CE1 4.1Å; F199-F205 AromaticContact CE2-CZ 3.7Å; F199-F205 HydrophobicContact CE2-CZ 3.7Å; F199-F205 HydrophobicContact CG-CE1 4.35Å; F199-F205 HydrophobicContact CG-CZ 4.2Å; F199-F205 HydrophobicContact CZ-CE1 4.05Å; F199-F205 HydrophobicContact CZ-CZ 4.13Å; V203-F205 HydrophobicContact CG1-CD1 4.07Å; V203-F205 HydrophobicContact CG1-CE1 3.75Å; V203-F205 HydrophobicContact CG1-CZ 4.36Å; F205-F207 HydrophobicContact CB-CD1 4.19Å; F205-F207 HydrophobicContact CB-CD2 4.19Å; F205-F207 HydrophobicContact CB-CE1 3.85Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CG 4.36Å; F205-F207 HydrophobicContact CB-CZ 3.66Å; F205-F207 HydrophobicContact CD1-CE1 4.37Å; F205-F207 HydrophobicContact CD1-CZ 4.06Å; F205-F207 AromaticContact CD2-CE2 3.94Å; F205-F207 HydrophobicContact CD2-CE2 3.94Å; F205-F207 AromaticContact CD2-CZ 3.88Å; F205-F207 HydrophobicContact CD2-CZ 3.88Å; F205-F207 HydrophobicContact CG-CE1 4.12Å; F205-F207 AromaticContact CG-CE2 3.99Å; F205-F207 HydrophobicContact CG-CE2 3.99Å; F205-F207 AromaticContact CG-CZ 3.6Å; F205-F207 HydrophobicContact CG-CZ 3.6Å; F205-F207 PolarHBondContact O-N 3.19Å; F205-V225 HydrophobicContact CD2-CG1 4.27Å; F205-V225 HydrophobicContact CD2-CG2 3.79Å; F205-V225 HydrophobicContact CE2-CG1 3.98Å; F205-V225 HydrophobicContact CE2-CG2 3.84Å; F205-P239 HydrophobicContact CE2-CB 3.72Å; F205-P239 HydrophobicContact CE2-CG 3.8Å; F205-P239 HydrophobicContact CZ-CB 4.08Å; F205-P239 HydrophobicContact CZ-CG 3.77Å; F205-L241 HydrophobicContact CE2-CD1 4.38Å; F205-L276 HydrophobicContact CD1-CD1 3.95Å; F205-L276 HydrophobicContact CE1-CD1 3.64Å; F205-L276 HydrophobicContact CZ-CD1 4.46Å | ||
| 206 | S | 93.7 | Very high | 96.2 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 67% | 0.671 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74.1 | -8.9 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 207 | F | 94.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | trans | -111.8 | 153.7 | -178.8 | 50.1 | -96.7 | 0 | 0 | 0 | 112.6 | F205 W209 V225 L241 L273 | F205-F207 HydrophobicContact CB-CD1 4.19Å; F205-F207 HydrophobicContact CB-CD2 4.19Å; F205-F207 HydrophobicContact CB-CE1 3.85Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CG 4.36Å; F205-F207 HydrophobicContact CB-CZ 3.66Å; F205-F207 HydrophobicContact CD1-CE1 4.37Å; F205-F207 HydrophobicContact CD1-CZ 4.06Å; F205-F207 AromaticContact CD2-CE2 3.94Å; F205-F207 HydrophobicContact CD2-CE2 3.94Å; F205-F207 AromaticContact CD2-CZ 3.88Å; F205-F207 HydrophobicContact CD2-CZ 3.88Å; F205-F207 HydrophobicContact CG-CE1 4.12Å; F205-F207 AromaticContact CG-CE2 3.99Å; F205-F207 HydrophobicContact CG-CE2 3.99Å; F205-F207 AromaticContact CG-CZ 3.6Å; F205-F207 HydrophobicContact CG-CZ 3.6Å; F205-F207 PolarHBondContact O-N 3.19Å; F207-W209 HydrophobicContact CB-CZ2 4.44Å; F207-W209 HydrophobicContact CD1-CZ2 4.25Å; F207-W209 AromaticContact CD2-CD2 3.78Å; F207-W209 HydrophobicContact CD2-CD2 3.78Å; F207-W209 AromaticContact CD2-CE2 3.48Å; F207-W209 VanDerWaalsContact CD2-CE2 3.48Å; F207-W209 HydrophobicContact CD2-CE3 4.01Å; F207-W209 HydrophobicContact CD2-CG 4.49Å; F207-W209 AromaticContact CD2-CH2 3.73Å; F207-W209 HydrophobicContact CD2-CH2 3.73Å; F207-W209 AromaticContact CD2-CZ2 3.46Å; F207-W209 HydrophobicContact CD2-CZ2 3.46Å; F207-W209 VanDerWaalsContact CD2-CZ2 3.46Å; F207-W209 HydrophobicContact CD2-CZ3 4.01Å; F207-W209 HydrophobicContact CE1-CZ2 4.4Å; F207-W209 HydrophobicContact CE2-CD2 4.33Å; F207-W209 HydrophobicContact CE2-CE3 4.12Å; F207-W209 AromaticContact CE2-CH2 3.42Å; F207-W209 HydrophobicContact CE2-CH2 3.42Å; F207-W209 VanDerWaalsContact CE2-CH2 3.42Å; F207-W209 AromaticContact CE2-CZ2 3.64Å; F207-W209 HydrophobicContact CE2-CZ2 3.64Å; F207-W209 AromaticContact CE2-CZ3 3.69Å; F207-W209 HydrophobicContact CE2-CZ3 3.69Å; F207-W209 AromaticContact CG-CE2 3.83Å; F207-W209 HydrophobicContact CG-CH2 4.43Å; F207-W209 AromaticContact CG-CZ2 3.79Å; F207-W209 HydrophobicContact CG-CZ2 3.79Å; F207-W209 AromaticContact CZ-CH2 3.9Å; F207-W209 HydrophobicContact CZ-CH2 3.9Å; F207-W209 HydrophobicContact CZ-CZ2 4.12Å; F207-V225 HydrophobicContact CE2-CG2 3.69Å; F207-V225 HydrophobicContact CZ-CG2 4.49Å; F207-L241 HydrophobicContact CZ-CD1 4.33Å; F207-L273 HydrophobicContact CD1-CD2 3.99Å; F207-L273 HydrophobicContact CE1-CD1 3.91Å; F207-L273 HydrophobicContact CE1-CD2 3.92Å; F207-L273 HydrophobicContact CE1-CG 4.42Å; F207-L273 HydrophobicContact CZ-CD1 4.12Å | ||
| 208 | S | 93.3 | Very high | 96 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | trans | -108.3 | -10.2 | -169.6 | 63.7 | 0 | 0 | 0 | 0 | 115.4 | K228 | S208-K228 WeakPolarHBondContact O-CE 3.24Å; S208-K228 PolarHBondContact O-NZ 3.24Å | ||
| 209 | W | 96.6 | Very high | 96 | Very high | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | trans | -69.3 | 154.6 | 173.9 | 47.3 | -105.7 | 0 | 0 | 0 | 111.6 | F207 A211 R212 I223 V225 L273 | F207-W209 HydrophobicContact CB-CZ2 4.44Å; F207-W209 HydrophobicContact CD1-CZ2 4.25Å; F207-W209 AromaticContact CD2-CD2 3.78Å; F207-W209 HydrophobicContact CD2-CD2 3.78Å; F207-W209 AromaticContact CD2-CE2 3.48Å; F207-W209 VanDerWaalsContact CD2-CE2 3.48Å; F207-W209 HydrophobicContact CD2-CE3 4.01Å; F207-W209 HydrophobicContact CD2-CG 4.49Å; F207-W209 AromaticContact CD2-CH2 3.73Å; F207-W209 HydrophobicContact CD2-CH2 3.73Å; F207-W209 AromaticContact CD2-CZ2 3.46Å; F207-W209 HydrophobicContact CD2-CZ2 3.46Å; F207-W209 VanDerWaalsContact CD2-CZ2 3.46Å; F207-W209 HydrophobicContact CD2-CZ3 4.01Å; F207-W209 HydrophobicContact CE1-CZ2 4.4Å; F207-W209 HydrophobicContact CE2-CD2 4.33Å; F207-W209 HydrophobicContact CE2-CE3 4.12Å; F207-W209 AromaticContact CE2-CH2 3.42Å; F207-W209 HydrophobicContact CE2-CH2 3.42Å; F207-W209 VanDerWaalsContact CE2-CH2 3.42Å; F207-W209 AromaticContact CE2-CZ2 3.64Å; F207-W209 HydrophobicContact CE2-CZ2 3.64Å; F207-W209 AromaticContact CE2-CZ3 3.69Å; F207-W209 HydrophobicContact CE2-CZ3 3.69Å; F207-W209 AromaticContact CG-CE2 3.83Å; F207-W209 HydrophobicContact CG-CH2 4.43Å; F207-W209 AromaticContact CG-CZ2 3.79Å; F207-W209 HydrophobicContact CG-CZ2 3.79Å; F207-W209 AromaticContact CZ-CH2 3.9Å; F207-W209 HydrophobicContact CZ-CH2 3.9Å; F207-W209 HydrophobicContact CZ-CZ2 4.12Å; W209-A211 VanDerWaalsContact CE3-C 3.49Å; W209-R212 HydrophobicContact CD2-CB 3.98Å; W209-R212 HydrophobicContact CE3-CB 4.13Å; W209-R212 HydrophobicContact CH2-CB 4.26Å; W209-R212 HydrophobicContact CZ2-CB 4.11Å; W209-R212 HydrophobicContact CZ3-CB 4.26Å; W209-I223 HydrophobicContact CH2-CB 4.08Å; W209-I223 HydrophobicContact CH2-CG2 3.68Å; W209-I223 HydrophobicContact CZ3-CB 4.39Å; W209-I223 HydrophobicContact CZ3-CG2 4.06Å; W209-V225 HydrophobicContact CZ3-CG2 4.22Å; W209-L273 HydrophobicContact CH2-CD1 4.43Å; W209-L273 HydrophobicContact CZ2-CD2 4.1Å | ||
| 210 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -90.6 | -25 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C91 H92 A224 V225 | C91-G210 VanDerWaalsContact SG-CA 3.55Å; H92-G210 PolarHBondContact O-N 3.42Å; G210-A224 CarbonylContact O-C 3.52Å; G210-A224 WeakPolarHBondContact O-CA 3.47Å; G210-V225 PolarHBondContact O-N 3.35Å |
| 211 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 165.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | I93 E94 W209 Y222 I223 A224 | I93-A211 CarbonylContact C-O 3.59Å; I93-A211 VanDerWaalsContact CA-O 3.28Å; I93-A211 WeakPolarHBondContact CA-O 3.48Å; I93-A211 HydrophobicContact CB-CB 4.44Å; I93-A211 HydrophobicContact CD1-CB 4.15Å; I93-A211 HydrophobicContact CG1-CB 4.02Å; I93-A211 HydrophobicContact CG2-CB 3.95Å; E94-A211 PolarHBondContact N-O 3.27Å; W209-A211 VanDerWaalsContact CE3-C 3.49Å; A211-Y222 HydrophobicContact CB-CE2 3.73Å; A211-Y222 WeakPolarHBondContact CB-OH 3.04Å; A211-I223 CarbonylContact C-O 3.58Å; A211-I223 WeakPolarHBondContact CA-O 3.4Å; A211-I223 VanDerWaalsContact CB-O 3.32Å; A211-I223 WeakPolarHBondContact CB-O 3.34Å; A211-A224 HydrophobicContact CB-CB 3.79Å |
| 212 | R | 98 | Very high | 96.2 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 126.1 | -179.5 | -179.1 | 170.9 | -171.2 | -147.1 | -5.3 | 110.6 | E94 W209 V214 Y222 I223 | E94-R212 HydrophobicContact CB-CB 4.2Å; E94-R212 HydrophobicContact CB-CG 4.02Å; E94-R212 VanDerWaalsContact CD-NE 3.26Å; E94-R212 HydrophobicContact CG-CG 4.31Å; E94-R212 WeakPolarHBondContact O-CA 3.5Å; E94-R212 IonicContact OE1-CZ 3.44Å; E94-R212 IonicContact OE1-NE 2.88Å; E94-R212 PolarHBondContact OE1-NE 3.23Å; E94-R212 IonicContact OE1-NH2 3.46Å; E94-R212 PolarHBondContact OE1-NH2 2.99Å; E94-R212 VanDerWaalsContact OE2-CD 3.31Å; E94-R212 WeakPolarHBondContact OE2-CD 3.44Å; E94-R212 IonicContact OE2-NE 2.99Å; E94-R212 PolarHBondContact OE2-NE 3.15Å; W209-R212 HydrophobicContact CD2-CB 3.98Å; W209-R212 HydrophobicContact CE3-CB 4.13Å; W209-R212 HydrophobicContact CH2-CB 4.26Å; W209-R212 HydrophobicContact CZ2-CB 4.11Å; W209-R212 HydrophobicContact CZ3-CB 4.26Å; R212-V214 HydrophobicContact CG-CG2 4.46Å; R212-Y222 WeakPolarHBondContact O-CA 3.25Å; R212-I223 PolarHBondContact N-O 2.94Å; R212-I223 PolarHBondContact O-N 2.68Å |
| 213 | Y | 98.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 114.9 | 164.7 | -81.8 | -74.6 | 0 | 0 | 0 | 109.4 | Y62 I93 E94 L96 Y222 | Y62-Y213 PolarHBondContact OH-OH 3.19Å; I93-Y213 HydrophobicContact CG2-CD2 4.06Å; I93-Y213 HydrophobicContact CG2-CE2 4.2Å; E94-Y213 PolarHBondContact O-N 3.31Å; L96-Y213 HydrophobicContact CD1-CE2 3.95Å; Y213-Y222 AromaticContact CD1-CD2 3.8Å; Y213-Y222 HydrophobicContact CD1-CD2 3.8Å; Y213-Y222 HydrophobicContact CD2-CD2 4.26Å; Y213-Y222 HydrophobicContact CD2-CE2 4.4Å; Y213-Y222 AromaticContact CE1-CD2 3.69Å; Y213-Y222 HydrophobicContact CE1-CD2 3.69Å; Y213-Y222 HydrophobicContact CE1-CE2 4.32Å; Y213-Y222 HydrophobicContact CE1-CG 4.47Å; Y213-Y222 HydrophobicContact CE2-CD2 4.17Å; Y213-Y222 HydrophobicContact CE2-CE2 4.08Å; Y213-Y222 HydrophobicContact CG-CD2 4.1Å; Y213-Y222 AromaticContact CZ-CD2 3.88Å |
| 214 | V | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | trans | -87.4 | 130.1 | -177.8 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | R212 D216 I220 R221 I223 L272 | R212-V214 HydrophobicContact CG-CG2 4.46Å; V214-D216 WeakPolarHBondContact CG1-OD1 3.29Å; V214-I220 HydrophobicContact CB-CG2 4.38Å; V214-I220 HydrophobicContact CG2-CG2 4Å; V214-R221 PolarHBondContact N-O 3.41Å; V214-R221 PolarHBondContact O-NH1 3.4Å; V214-I223 HydrophobicContact CG2-CD1 3.93Å; V214-I223 HydrophobicContact CG2-CG1 4.05Å; V214-L272 HydrophobicContact CG1-CD1 3.85Å; V214-L272 HydrophobicContact CG1-CD2 4.12Å; V214-L272 HydrophobicContact CG2-CD1 4.3Å | ||
| 215 | T | 94.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 42.8 Ų | 42.8 | 77% | 0.773 | 23% | 0.226 | S | C | * | . | trans | -116.5 | -19.6 | 178.8 | 51 | 0 | 0 | 0 | 0 | 113 | ||||
| 216 | D | 93.8 | Very high | 96.9 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -99.7 | 38.8 | -179.2 | 63.1 | -38.4 | 0 | 0 | 0 | 112.2 | V214 R271 | V214-D216 WeakPolarHBondContact CG1-OD1 3.29Å; D216-R271 PolarHBondContact O-NH2 3.38Å |
| 217 | S | 96.7 | Very high | 97 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | trans | -147.7 | 134.7 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | C219 I220 E268 | S217-C219 VanDerWaalsContact C-N 3.35Å; S217-C219 PolarHBondContact OG-N 3.35Å; S217-I220 WeakPolarHBondContact CB-O 3.47Å; S217-I220 PolarHBondContact OG-N 2.97Å; S217-E268 WeakPolarHBondContact CB-OE1 3.24Å; S217-E268 WeakPolarHBondContact OG-CG 3.42Å; S217-E268 PolarHBondContact OG-OE1 3.37Å | ||
| 218 | H | 95.7 | Very high | 97.1 | Very high | 180 Ų | 180 | 39 Ų | 39 | 83% | 0.833 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -78.3 | -23.4 | 172.1 | -62.6 | -70.5 | 0 | 0 | 0 | 112.2 | S246 | H218-S246 PolarHBondContact O-OG 2.74Š|
| 219 | C | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -99.2 | -50.1 | -175.4 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | S217 T245 S246 F249 E268 | S217-C219 VanDerWaalsContact C-N 3.35Å; S217-C219 PolarHBondContact OG-N 3.35Å; C219-T245 CarbonylContact O-C 3.42Å; C219-T245 WeakPolarHBondContact O-CA 3.32Å; C219-T245 WeakPolarHBondContact O-CB 3.4Å; C219-S246 PolarHBondContact O-N 2.69Å; C219-F249 HydrophobicContact CB-CD2 3.7Å; C219-F249 HydrophobicContact CB-CE2 3.9Å; C219-F249 HydrophobicContact CB-CG 4.16Å; C219-F249 VanDerWaalsContact SG-CE2 3.57Å; C219-F249 VanDerWaalsContact SG-CZ 3.58Å; C219-E268 HydrophobicContact CB-CB 4.29Å; C219-E268 HydrophobicContact CB-CG 4Å |
| 220 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.2 | -173.9 | -66.3 | 174.6 | 0 | 0 | 0 | 110.5 | V214 S217 I223 V243 I265 E268 L269 L272 | V214-I220 HydrophobicContact CB-CG2 4.38Å; V214-I220 HydrophobicContact CG2-CG2 4Å; S217-I220 WeakPolarHBondContact CB-O 3.47Å; S217-I220 PolarHBondContact OG-N 2.97Å; I220-I223 HydrophobicContact CG2-CD1 4.14Å; I220-I223 HydrophobicContact CG2-CG1 3.78Å; I220-V243 HydrophobicContact CB-CG1 4.43Å; I220-V243 HydrophobicContact CD1-CG1 3.78Å; I220-V243 HydrophobicContact CG1-CG1 3.81Å; I220-V243 HydrophobicContact CG2-CG1 3.82Å; I220-I265 HydrophobicContact CD1-CG2 4.4Å; I220-I265 HydrophobicContact CG1-CG2 4.38Å; I220-E268 HydrophobicContact CD1-CB 4.08Å; I220-E268 HydrophobicContact CD1-CG 3.89Å; I220-E268 HydrophobicContact CG1-CB 4.47Å; I220-E268 HydrophobicContact CG1-CG 4.05Å; I220-L269 HydrophobicContact CD1-CB 3.82Å; I220-L269 HydrophobicContact CD1-CD1 4.26Å; I220-L272 HydrophobicContact CB-CD1 3.97Å; I220-L272 HydrophobicContact CD1-CD1 3.99Å; I220-L272 HydrophobicContact CG2-CD1 4.13Å |
| 221 | R | 98.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -29 | 178.1 | -178.7 | 59.9 | -173.2 | 116.7 | 2.7 | 113.6 | V214 H244 | V214-R221 PolarHBondContact N-O 3.41Å; V214-R221 PolarHBondContact O-NH1 3.4Å; R221-H244 PolarHBondContact N-O 2.92Å |
| 222 | Y | 98.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 138.9 | -173.7 | 178.8 | -98.1 | 0 | 0 | 0 | 110.7 | Q61 A211 R212 Y213 A224 V243 H244 | Q61-Y222 HydrophobicContact CB-CE1 4.09Å; Q61-Y222 HydrophobicContact CG-CD1 4.12Å; Q61-Y222 HydrophobicContact CG-CE1 3.52Å; A211-Y222 HydrophobicContact CB-CE2 3.73Å; A211-Y222 WeakPolarHBondContact CB-OH 3.04Å; R212-Y222 WeakPolarHBondContact O-CA 3.25Å; Y213-Y222 AromaticContact CD1-CD2 3.8Å; Y213-Y222 HydrophobicContact CD1-CD2 3.8Å; Y213-Y222 HydrophobicContact CD2-CD2 4.26Å; Y213-Y222 HydrophobicContact CD2-CE2 4.4Å; Y213-Y222 AromaticContact CE1-CD2 3.69Å; Y213-Y222 HydrophobicContact CE1-CD2 3.69Å; Y213-Y222 HydrophobicContact CE1-CE2 4.32Å; Y213-Y222 HydrophobicContact CE1-CG 4.47Å; Y213-Y222 HydrophobicContact CE2-CD2 4.17Å; Y213-Y222 HydrophobicContact CE2-CE2 4.08Å; Y213-Y222 HydrophobicContact CG-CD2 4.1Å; Y213-Y222 AromaticContact CZ-CD2 3.88Å; Y222-A224 HydrophobicContact CD1-CB 4.44Å; Y222-A224 HydrophobicContact CE1-CB 3.49Å; Y222-A224 VanDerWaalsContact CE1-CB 3.49Å; Y222-V243 WeakPolarHBondContact O-CA 3.48Å; Y222-H244 PolarHBondContact N-O 3.2Å; Y222-H244 PolarHBondContact O-N 3.39Å |
| 223 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.8 | 175 | -52.9 | 172.5 | 0 | 0 | 0 | 107.9 | W209 A211 R212 V214 I220 L241 V242 V243 L269 L272 L273 | W209-I223 HydrophobicContact CH2-CB 4.08Å; W209-I223 HydrophobicContact CH2-CG2 3.68Å; W209-I223 HydrophobicContact CZ3-CB 4.39Å; W209-I223 HydrophobicContact CZ3-CG2 4.06Å; A211-I223 CarbonylContact C-O 3.58Å; A211-I223 WeakPolarHBondContact CA-O 3.4Å; A211-I223 VanDerWaalsContact CB-O 3.32Å; A211-I223 WeakPolarHBondContact CB-O 3.34Å; R212-I223 PolarHBondContact N-O 2.94Å; R212-I223 PolarHBondContact O-N 2.68Å; V214-I223 HydrophobicContact CG2-CD1 3.93Å; V214-I223 HydrophobicContact CG2-CG1 4.05Å; I220-I223 HydrophobicContact CG2-CD1 4.14Å; I220-I223 HydrophobicContact CG2-CG1 3.78Å; I223-L241 HydrophobicContact CG2-CD1 3.7Å; I223-L241 HydrophobicContact CG2-CD2 3.97Å; I223-L241 HydrophobicContact CG2-CG 3.83Å; I223-V242 CarbonylContact C-O 3.55Å; I223-V242 VanDerWaalsContact CA-O 3.26Å; I223-V242 WeakPolarHBondContact CA-O 3.13Å; I223-V243 HydrophobicContact CG1-CG2 4.48Å; I223-V243 HydrophobicContact CG2-CG2 4.38Å; I223-L269 HydrophobicContact CD1-CD1 3.81Å; I223-L269 HydrophobicContact CG1-CD1 4.42Å; I223-L272 HydrophobicContact CD1-CD1 4.28Å; I223-L273 HydrophobicContact CD1-CD1 4.19Å; I223-L273 HydrophobicContact CG2-CD1 4.48Å |
| 224 | A | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 133.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G210 A211 Y222 D226 K229 L241 V242 | G210-A224 CarbonylContact O-C 3.52Å; G210-A224 WeakPolarHBondContact O-CA 3.47Å; A211-A224 HydrophobicContact CB-CB 3.79Å; Y222-A224 HydrophobicContact CD1-CB 4.44Å; Y222-A224 HydrophobicContact CE1-CB 3.49Å; Y222-A224 VanDerWaalsContact CE1-CB 3.49Å; A224-D226 PolarHBondContact O-N 3.36Å; A224-K229 HydrophobicContact CB-CD 4.34Å; A224-L241 CarbonylContact O-C 3.46Å; A224-L241 VanDerWaalsContact O-CA 3.3Å; A224-L241 WeakPolarHBondContact O-CA 3.35Å; A224-V242 PolarHBondContact N-O 3.43Å; A224-V242 PolarHBondContact O-N 2.88Å |
| 225 | V | 98.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 94.6 | 161.1 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | F205 F207 W209 G210 N227 K228 K229 P239 S240 L241 | F205-V225 HydrophobicContact CD2-CG1 4.27Å; F205-V225 HydrophobicContact CD2-CG2 3.79Å; F205-V225 HydrophobicContact CE2-CG1 3.98Å; F205-V225 HydrophobicContact CE2-CG2 3.84Å; F207-V225 HydrophobicContact CE2-CG2 3.69Å; F207-V225 HydrophobicContact CZ-CG2 4.49Å; W209-V225 HydrophobicContact CZ3-CG2 4.22Å; G210-V225 PolarHBondContact O-N 3.35Å; V225-N227 PolarHBondContact O-N 3.23Å; V225-K228 HydrophobicContact CB-CB 4.04Å; V225-K228 HydrophobicContact CG1-CB 3.7Å; V225-K228 PolarHBondContact O-N 2.74Å; V225-K229 WeakPolarHBondContact O-CB 3.29Å; V225-K229 PolarHBondContact O-N 3.25Å; V225-P239 HydrophobicContact CG1-CB 4.39Å; V225-S240 CarbonylContact C-O 3.39Å; V225-S240 WeakPolarHBondContact CA-O 3.33Å; V225-L241 HydrophobicContact CG2-CD1 3.74Å |
| 226 | D | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | -161.4 | -161.3 | 58.2 | 0 | 0 | 0 | 112.4 | A56 D57 A224 K229 R230 S240 V242 | A56-D226 VanDerWaalsContact CA-OD2 3.26Å; A56-D226 WeakPolarHBondContact CA-OD2 3.31Å; D57-D226 PolarHBondContact N-OD2 3.35Å; A224-D226 PolarHBondContact O-N 3.36Å; D226-K229 WeakPolarHBondContact OD1-CE 3.26Å; D226-K229 IonicContact OD1-NZ 2.87Å; D226-K229 PolarHBondContact OD1-NZ 3.27Å; D226-R230 WeakPolarHBondContact O-CB 3.43Å; D226-R230 VanDerWaalsContact O-CG 3.24Å; D226-R230 WeakPolarHBondContact O-CG 3.39Å; D226-R230 PolarHBondContact O-N 2.88Å; D226-R230 PolarHBondContact O-NE 3.28Å; D226-R230 IonicContact OD2-CZ 3.93Å; D226-R230 IonicContact OD2-NE 3.47Å; D226-R230 PolarHBondContact OD2-NE 3.01Å; D226-R230 IonicContact OD2-NH1 3.78Å; D226-R230 PolarHBondContact OD2-NH1 3.4Å; D226-R230 IonicContact OD2-NH2 2.96Å; D226-R230 PolarHBondContact OD2-NH2 2.96Å; D226-S240 PolarHBondContact N-O 3.44Å; D226-V242 HydrophobicContact CB-CG2 4.04Å |
| 227 | N | 96.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.3 | 50 | -69.4 | 0 | 0 | 0 | 112.8 | H54 V225 R230 S231 S232 D233 P239 S240 | H54-N227 HydrophobicContact CB-CB 3.68Å; H54-N227 VanDerWaalsContact CG-CB 3.46Å; V225-N227 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact O-N 3.41Å; N227-S231 PolarHBondContact O-N 2.98Å; N227-S232 WeakPolarHBondContact CA-OG 3.36Å; N227-S232 PolarHBondContact O-N 3.08Å; N227-S232 PolarHBondContact O-OG 3.02Å; N227-D233 PolarHBondContact ND2-OD1 3.44Å; N227-P239 WeakPolarHBondContact OD1-CA 3.46Å; N227-S240 PolarHBondContact OD1-N 2.95Å |
| 228 | K | 96.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.6 | -47.4 | 178.5 | -177.9 | 171.9 | 179.5 | 172.6 | 0 | 112 | S208 V225 R230 S231 | S208-K228 WeakPolarHBondContact O-CE 3.24Å; S208-K228 PolarHBondContact O-NZ 3.24Å; V225-K228 HydrophobicContact CB-CB 4.04Å; V225-K228 HydrophobicContact CG1-CB 3.7Å; V225-K228 PolarHBondContact O-N 2.74Å; K228-R230 PolarHBondContact O-N 3.16Å; K228-S231 PolarHBondContact O-N 3.35Å |
| 229 | K | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.7 | -40.4 | 175.3 | 177.7 | -160.6 | 63.3 | 179.6 | 0 | 111.3 | Q61 L89 V106 A224 V225 D226 S231 | Q61-K229 WeakPolarHBondContact O-CE 3.49Å; Q61-K229 PolarHBondContact O-NZ 3.42Å; L89-K229 HydrophobicContact CD1-CG 4.23Å; V106-K229 HydrophobicContact CG1-CG 4.25Å; A224-K229 HydrophobicContact CB-CD 4.34Å; V225-K229 WeakPolarHBondContact O-CB 3.29Å; V225-K229 PolarHBondContact O-N 3.25Å; D226-K229 WeakPolarHBondContact OD1-CE 3.26Å; D226-K229 IonicContact OD1-NZ 2.87Å; D226-K229 PolarHBondContact OD1-NZ 3.27Å; K229-S231 VanDerWaalsContact C-N 3.32Å |
| 230 | R | 95.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.7 | -179.5 | -64.6 | -179.3 | -38.5 | -164 | -7.6 | 114.1 | S55 D57 T107 G110 D226 N227 K228 S232 | S55-R230 PolarHBondContact O-NH2 2.83Å; S55-R230 PolarHBondContact OG-NH1 2.83Å; S55-R230 PolarHBondContact OG-NH2 3.26Å; D57-R230 IonicContact OD1-NH1 3.35Å; D57-R230 VanDerWaalsContact OD2-CD 3.24Å; D57-R230 WeakPolarHBondContact OD2-CD 3.21Å; D57-R230 IonicContact OD2-CZ 3.59Å; D57-R230 IonicContact OD2-NE 3.28Å; D57-R230 IonicContact OD2-NH1 2.87Å; D57-R230 PolarHBondContact OD2-NH1 3.3Å; T107-R230 VanDerWaalsContact O-CD 3.31Å; T107-R230 WeakPolarHBondContact O-CD 3.32Å; G110-R230 VanDerWaalsContact CA-NH1 3.32Å; D226-R230 WeakPolarHBondContact O-CB 3.43Å; D226-R230 VanDerWaalsContact O-CG 3.24Å; D226-R230 WeakPolarHBondContact O-CG 3.39Å; D226-R230 PolarHBondContact O-N 2.88Å; D226-R230 PolarHBondContact O-NE 3.28Å; D226-R230 IonicContact OD2-CZ 3.93Å; D226-R230 IonicContact OD2-NE 3.47Å; D226-R230 PolarHBondContact OD2-NE 3.01Å; D226-R230 IonicContact OD2-NH1 3.78Å; D226-R230 PolarHBondContact OD2-NH1 3.4Å; D226-R230 IonicContact OD2-NH2 2.96Å; D226-R230 PolarHBondContact OD2-NH2 2.96Å; N227-R230 PolarHBondContact O-N 3.41Å; K228-R230 PolarHBondContact O-N 3.16Å; R230-S232 WeakPolarHBondContact CB-OG 3.31Å; R230-S232 PolarHBondContact O-N 3.09Å |
| 231 | S | 93.2 | Very high | 95.8 | Very high | 66 Ų | 66 | 33 Ų | 33 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 48.5 | -173.2 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | N227 K228 K229 | N227-S231 PolarHBondContact O-N 2.98Å; K228-S231 PolarHBondContact O-N 3.35Å; K229-S231 VanDerWaalsContact C-N 3.32Å |
| 232 | S | 91.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -124.4 | 22 | -169.7 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | H54 P108 N227 R230 A234 | H54-S232 PolarHBondContact CD2-O 2.88Å; H54-S232 PolarHBondContact NE2-O 3.14Å; P108-S232 WeakPolarHBondContact O-CB 3.37Å; N227-S232 WeakPolarHBondContact CA-OG 3.36Å; N227-S232 PolarHBondContact O-N 3.08Å; N227-S232 PolarHBondContact O-OG 3.02Å; R230-S232 WeakPolarHBondContact CB-OG 3.31Å; R230-S232 PolarHBondContact O-N 3.09Å; S232-A234 PolarHBondContact O-N 3.46Å | ||
| 233 | D | 89.1 | Confident | 95.9 | Very high | 100 Ų | 100 | 28.5 Ų | 28.5 | 54% | 0.535 | 19% | 0.185 | S | C | . | . | trans | -61.6 | 120.7 | 178.3 | -65.6 | -57.3 | 0 | 0 | 0 | 110.7 | N227 | N227-D233 PolarHBondContact ND2-OD1 3.44Š| ||
| 234 | A | 91.6 | Very high | 95.9 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 35% | 0.347 | 19% | 0.191 | S | C | . | . | trans | -115.7 | 133.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H54 S232 L237 | H54-A234 PolarHBondContact NE2-N 2.89Å; S232-A234 PolarHBondContact O-N 3.46Å; A234-L237 HydrophobicContact CB-CD1 4.12Å; A234-L237 PolarHBondContact O-N 2.56Å | ||
| 235 | P | 90.3 | Very high | 95.9 | Very high | 138 Ų | 138 | 29.9 Ų | 29.9 | 90% | 0.896 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 142.3 | 177.1 | -25.2 | 33.7 | 0 | 0 | 0 | 112.4 | L237 | P235-L237 PolarHBondContact O-N 3.13Š|
| 236 | G | 92.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 30.2 Ų | 30.2 | 64% | 0.639 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 0.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P201 | P201-G236 VanDerWaalsContact CG-O 3.25Å; P201-G236 WeakPolarHBondContact CG-O 3.3Å |
| 237 | L | 96.5 | Very high | 95.9 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | trans | -108.4 | 132.2 | 172.3 | -63.9 | -174.4 | 0 | 0 | 0 | 110.8 | P51 H54 A234 P235 | P51-L237 VanDerWaalsContact O-CD2 3.23Å; P51-L237 WeakPolarHBondContact O-CD2 3.41Å; H54-L237 WeakPolarHBondContact CE1-CB 3.47Å; H54-L237 PolarHBondContact CE1-O 3.06Å; H54-L237 VanDerWaalsContact CE1-O 3.28Å; A234-L237 HydrophobicContact CB-CD1 4.12Å; A234-L237 PolarHBondContact O-N 2.56Å; P235-L237 PolarHBondContact O-N 3.13Å | ||
| 238 | G | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 159.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T52 S53 H54 F199 S200 | T52-G238 PolarHBondContact O-N 3.37Å; S53-G238 WeakPolarHBondContact CA-O 3.39Å; H54-G238 PolarHBondContact N-O 2.88Å; H54-G238 PolarHBondContact ND1-O 3.37Å; F199-G238 WeakPolarHBondContact O-CA 3.47Å; S200-G238 WeakPolarHBondContact O-CA 3.21Å |
| 239 | P | 97.4 | Very high | 96 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | trans | -69.8 | 163.8 | -178.8 | 29.6 | -34.1 | 0 | 0 | 0 | 111.7 | F199 V203 F205 V225 N227 | F199-P239 HydrophobicContact CB-CG 3.97Å; F199-P239 HydrophobicContact CD2-CG 4.48Å; F199-P239 WeakPolarHBondContact CD2-O 3.28Å; F199-P239 HydrophobicContact CG-CG 4.46Å; F199-P239 PolarHBondContact N-O 2.87Å; V203-P239 HydrophobicContact CB-CG 4.31Å; V203-P239 HydrophobicContact CG1-CG 3.98Å; F205-P239 HydrophobicContact CE2-CB 3.72Å; F205-P239 HydrophobicContact CE2-CG 3.8Å; F205-P239 HydrophobicContact CZ-CB 4.08Å; F205-P239 HydrophobicContact CZ-CG 3.77Å; V225-P239 HydrophobicContact CG1-CB 4.39Å; N227-P239 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 240 | S | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.2 | 175.4 | -63 | 0 | 0 | 0 | 0 | 109.9 | H54 L197 F198 V225 D226 N227 | H54-S240 PolarHBondContact O-OG 2.92Å; L197-S240 CarbonylContact O-C 3.35Å; L197-S240 WeakPolarHBondContact O-CA 3.49Å; F198-S240 VanDerWaalsContact CD1-OG 3.29Å; F198-S240 WeakPolarHBondContact CD1-OG 3.4Å; V225-S240 CarbonylContact C-O 3.39Å; V225-S240 WeakPolarHBondContact CA-O 3.33Å; D226-S240 PolarHBondContact N-O 3.44Å; N227-S240 PolarHBondContact OD1-N 2.95Å |
| 241 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.6 | 178.7 | -163.3 | 78.3 | 0 | 0 | 0 | 109.6 | A196 L197 F199 F205 F207 I223 A224 V225 L269 L273 L276 | A196-L241 CarbonylContact C-O 3.47Å; A196-L241 VanDerWaalsContact CA-O 3.31Å; A196-L241 WeakPolarHBondContact CA-O 3.46Å; L197-L241 HydrophobicContact CB-CB 4.37Å; L197-L241 HydrophobicContact CD1-CB 4.33Å; L197-L241 HydrophobicContact CD1-CD2 4.36Å; L197-L241 PolarHBondContact N-O 2.86Å; L197-L241 PolarHBondContact O-N 2.85Å; F199-L241 HydrophobicContact CE2-CB 3.7Å; F199-L241 HydrophobicContact CZ-CB 4.41Å; F205-L241 HydrophobicContact CE2-CD1 4.38Å; F207-L241 HydrophobicContact CZ-CD1 4.33Å; I223-L241 HydrophobicContact CG2-CD1 3.7Å; I223-L241 HydrophobicContact CG2-CD2 3.97Å; I223-L241 HydrophobicContact CG2-CG 3.83Å; A224-L241 CarbonylContact O-C 3.46Å; A224-L241 VanDerWaalsContact O-CA 3.3Å; A224-L241 WeakPolarHBondContact O-CA 3.35Å; V225-L241 HydrophobicContact CG2-CD1 3.74Å; L241-L269 HydrophobicContact CD2-CD1 4.4Å; L241-L269 HydrophobicContact CD2-CD2 4.36Å; L241-L273 HydrophobicContact CD2-CD1 4.34Å; L241-L276 HydrophobicContact CD2-CD1 4.03Å; L241-L276 HydrophobicContact CD2-CD2 3.99Å |
| 242 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | A56 D57 I195 A196 I223 A224 D226 | A56-V242 HydrophobicContact CB-CG2 3.79Å; D57-V242 WeakPolarHBondContact O-CG1 3.26Å; D57-V242 WeakPolarHBondContact O-CG2 3.42Å; I195-V242 CarbonylContact O-C 3.58Å; I195-V242 WeakPolarHBondContact O-CA 3.32Å; A196-V242 HydrophobicContact CB-CG2 4.47Å; I223-V242 CarbonylContact C-O 3.55Å; I223-V242 VanDerWaalsContact CA-O 3.26Å; I223-V242 WeakPolarHBondContact CA-O 3.13Å; A224-V242 PolarHBondContact N-O 3.43Å; A224-V242 PolarHBondContact O-N 2.88Å; D226-V242 HydrophobicContact CB-CG2 4.04Å |
| 243 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.7 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | A194 I195 L197 I220 Y222 I223 I265 L269 | A194-V243 CarbonylContact C-O 3.57Å; A194-V243 VanDerWaalsContact CA-O 3.24Å; A194-V243 WeakPolarHBondContact CA-O 3.44Å; I195-V243 PolarHBondContact N-O 3.49Å; I195-V243 PolarHBondContact O-N 2.94Å; L197-V243 HydrophobicContact CD1-CG2 3.87Å; I220-V243 HydrophobicContact CB-CG1 4.43Å; I220-V243 HydrophobicContact CD1-CG1 3.78Å; I220-V243 HydrophobicContact CG1-CG1 3.81Å; I220-V243 HydrophobicContact CG2-CG1 3.82Å; Y222-V243 WeakPolarHBondContact O-CA 3.48Å; I223-V243 HydrophobicContact CG1-CG2 4.48Å; I223-V243 HydrophobicContact CG2-CG2 4.38Å; V243-I265 HydrophobicContact CG1-CG2 4.2Å; V243-L269 HydrophobicContact CG2-CD1 3.8Å; V243-L269 HydrophobicContact CG2-CD2 3.92Å; V243-L269 HydrophobicContact CG2-CG 4.45Å |
| 244 | H | 98.8 | Very high | 96.8 | Very high | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133 | 168.7 | -68.7 | 175.2 | 0 | 0 | 0 | 110.8 | L58 G59 Q61 F193 R221 Y222 | L58-H244 PolarHBondContact O-NE2 2.79Å; G59-H244 PolarHBondContact O-CE1 2.99Å; Q61-H244 PolarHBondContact NE2-CE1 2.81Å; F193-H244 WeakPolarHBondContact O-CA 3.45Å; R221-H244 PolarHBondContact N-O 2.92Å; Y222-H244 PolarHBondContact N-O 3.2Å; Y222-H244 PolarHBondContact O-N 3.39Å |
| 245 | T | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 161 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | R192 F193 C219 F249 I265 | R192-T245 PolarHBondContact NH1-O 2.81Å; F193-T245 HydrophobicContact CB-CG2 3.76Å; F193-T245 HydrophobicContact CD2-CG2 4.26Å; F193-T245 PolarHBondContact N-OG1 2.75Å; F193-T245 PolarHBondContact O-N 2.86Å; C219-T245 CarbonylContact O-C 3.42Å; C219-T245 WeakPolarHBondContact O-CA 3.32Å; C219-T245 WeakPolarHBondContact O-CB 3.4Å; T245-F249 HydrophobicContact CG2-CD1 3.82Å; T245-F249 HydrophobicContact CG2-CE1 4.09Å; T245-I265 HydrophobicContact CG2-CD1 3.52Å; T245-I265 HydrophobicContact CG2-CG1 3.79Å; T245-I265 HydrophobicContact CG2-CG2 4.34Å |
| 246 | S | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -62.3 | 159.1 | 168.4 | 80.4 | 0 | 0 | 0 | 0 | 111.6 | H218 C219 F249 G250 | H218-S246 PolarHBondContact O-OG 2.74Å; C219-S246 PolarHBondContact O-N 2.69Å; S246-F249 VanDerWaalsContact OG-CB 3.25Å; S246-F249 WeakPolarHBondContact OG-CB 3.24Å; S246-F249 PolarHBondContact OG-N 3.45Å; S246-F249 VanDerWaalsContact OG-N 3.16Å; S246-G250 PolarHBondContact O-N 2.78Å | ||
| 247 | V | 97.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 40 Ų | 40 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -46.8 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | R192 F249 G250 L251 | R192-V247 HydrophobicContact CG-CG2 4.39Å; R192-V247 VanDerWaalsContact CZ-CG2 3.49Å; V247-F249 VanDerWaalsContact C-N 3.3Å; V247-F249 PolarHBondContact O-N 3.09Å; V247-G250 PolarHBondContact O-N 3.4Å; V247-L251 HydrophobicContact CG1-CD1 3.74Å; V247-L251 HydrophobicContact CG1-CG 4.19Å; V247-L251 PolarHBondContact O-N 3.17Å |
| 248 | P | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 62% | 0.623 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -55.4 | -44.5 | 177.7 | -27.8 | 36.6 | 0 | 0 | 0 | 112.9 | L251 A252 | P248-L251 PolarHBondContact O-N 3.07Å; P248-A252 WeakPolarHBondContact O-CB 3.47Å; P248-A252 PolarHBondContact O-N 3.04Å |
| 249 | F | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 177 | -174.4 | -88.1 | 0 | 0 | 0 | 112 | F193 C219 T245 S246 V247 L251 A252 H253 I261 V264 I265 | F193-F249 HydrophobicContact CD2-CD1 4.07Å; F193-F249 HydrophobicContact CD2-CE1 4.02Å; F193-F249 HydrophobicContact CE2-CD1 4.39Å; F193-F249 HydrophobicContact CE2-CE1 4.29Å; C219-F249 HydrophobicContact CB-CD2 3.7Å; C219-F249 HydrophobicContact CB-CE2 3.9Å; C219-F249 HydrophobicContact CB-CG 4.16Å; C219-F249 VanDerWaalsContact SG-CE2 3.57Å; C219-F249 VanDerWaalsContact SG-CZ 3.58Å; T245-F249 HydrophobicContact CG2-CD1 3.82Å; T245-F249 HydrophobicContact CG2-CE1 4.09Å; S246-F249 VanDerWaalsContact OG-CB 3.25Å; S246-F249 WeakPolarHBondContact OG-CB 3.24Å; S246-F249 PolarHBondContact OG-N 3.45Å; S246-F249 VanDerWaalsContact OG-N 3.16Å; V247-F249 VanDerWaalsContact C-N 3.3Å; V247-F249 PolarHBondContact O-N 3.09Å; F249-L251 VanDerWaalsContact C-N 3.31Å; F249-L251 PolarHBondContact O-N 3.02Å; F249-A252 PolarHBondContact O-N 2.83Å; F249-H253 AromaticContact CD2-CD2 3.61Å; F249-H253 AromaticContact CD2-NE2 3.92Å; F249-H253 AromaticContact CE1-CD2 3.93Å; F249-H253 AromaticContact CE2-CD2 3.44Å; F249-H253 VanDerWaalsContact CE2-CD2 3.44Å; F249-H253 WeakPolarHBondContact CE2-CD2 3.38Å; F249-H253 AromaticContact CE2-NE2 3.6Å; F249-H253 AromaticContact CG-CD2 3.93Å; F249-H253 AromaticContact CZ-CD2 3.61Å; F249-H253 PolarHBondContact O-CD2 2.88Å; F249-H253 PolarHBondContact O-N 3.47Å; F249-H253 VanDerWaalsContact O-N 3.14Å; F249-I261 HydrophobicContact CE1-CG2 3.91Å; F249-I261 HydrophobicContact CZ-CG2 4.26Å; F249-V264 HydrophobicContact CE2-CG1 3.98Å; F249-V264 HydrophobicContact CZ-CB 4.48Å; F249-V264 HydrophobicContact CZ-CG1 3.88Å; F249-I265 HydrophobicContact CE1-CD1 4.19Å; F249-I265 HydrophobicContact CE1-CG1 3.88Å; F249-I265 HydrophobicContact CZ-CG1 4.18Å |
| 250 | G | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S191 S246 V247 L254 | S191-G250 WeakPolarHBondContact O-CA 3.4Å; S246-G250 PolarHBondContact O-N 2.78Å; V247-G250 PolarHBondContact O-N 3.4Å; G250-L254 PolarHBondContact O-N 2.93Å |
| 251 | L | 96.1 | Very high | 97 | Very high | 86 Ų | 86 | 50 Ų | 50 | 45% | 0.45 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73 | -46.3 | 175.5 | -72.9 | 171.7 | 0 | 0 | 0 | 112.1 | V247 P248 F249 H253 L254 | V247-L251 HydrophobicContact CG1-CD1 3.74Å; V247-L251 HydrophobicContact CG1-CG 4.19Å; V247-L251 PolarHBondContact O-N 3.17Å; P248-L251 PolarHBondContact O-N 3.07Å; F249-L251 VanDerWaalsContact C-N 3.31Å; F249-L251 PolarHBondContact O-N 3.02Å; L251-H253 PolarHBondContact O-N 2.81Å; L251-L254 PolarHBondContact O-N 3.21Å |
| 252 | A | 97.1 | Very high | 97 | Very high | 75 Ų | 75 | 51.7 Ų | 51.7 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.8 | -30.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P248 F249 | P248-A252 WeakPolarHBondContact O-CB 3.47Å; P248-A252 PolarHBondContact O-N 3.04Å; F249-A252 PolarHBondContact O-N 2.83Å |
| 253 | H | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 12.6 | -174.4 | -65.4 | -65.2 | 0 | 0 | 0 | 114.6 | F193 F249 L251 E255 N256 I261 | F193-H253 HydrophobicContact CE2-CB 3.95Å; F193-H253 HydrophobicContact CZ-CB 4.32Å; F193-H253 WeakPolarHBondContact CZ-O 3.31Å; F249-H253 AromaticContact CD2-CD2 3.61Å; F249-H253 AromaticContact CD2-NE2 3.92Å; F249-H253 AromaticContact CE1-CD2 3.93Å; F249-H253 AromaticContact CE2-CD2 3.44Å; F249-H253 VanDerWaalsContact CE2-CD2 3.44Å; F249-H253 WeakPolarHBondContact CE2-CD2 3.38Å; F249-H253 AromaticContact CE2-NE2 3.6Å; F249-H253 AromaticContact CG-CD2 3.93Å; F249-H253 AromaticContact CZ-CD2 3.61Å; F249-H253 PolarHBondContact O-CD2 2.88Å; F249-H253 PolarHBondContact O-N 3.47Å; F249-H253 VanDerWaalsContact O-N 3.14Å; L251-H253 PolarHBondContact O-N 2.81Å; H253-E255 VanDerWaalsContact C-N 3.28Å; H253-E255 PolarHBondContact O-N 3.13Å; H253-N256 VanDerWaalsContact CA-OD1 3.26Å; H253-N256 WeakPolarHBondContact CA-OD1 3.4Å; H253-N256 WeakPolarHBondContact CB-OD1 3.43Å; H253-N256 PolarHBondContact ND1-OD1 3.38Å; H253-N256 WeakPolarHBondContact O-CB 3.43Å; H253-N256 PolarHBondContact O-N 3.36Å; H253-I261 HydrophobicContact CB-CD1 3.64Å; H253-I261 HydrophobicContact CB-CG1 4.14Å |
| 254 | L | 95 | Very high | 96.9 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -41.1 | -170.9 | 178.7 | 59.5 | 0 | 0 | 0 | 113.6 | G250 L251 K286 R288 | G250-L254 PolarHBondContact O-N 2.93Å; L251-L254 PolarHBondContact O-N 3.21Å; L254-K286 HydrophobicContact CD1-CD 4.27Å; L254-K286 HydrophobicContact CD1-CG 4.43Å; L254-K286 WeakPolarHBondContact O-CE 3.27Å; L254-K286 PolarHBondContact O-NZ 2.93Å; L254-R288 HydrophobicContact CD1-CB 3.89Å; L254-R288 HydrophobicContact CD1-CG 3.97Å; L254-R288 HydrophobicContact CD2-CG 4.19Å |
| 255 | E | 96.3 | Very high | 96.9 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.8 | -177.8 | -56.7 | -50.5 | 141.1 | 0 | 0 | 113.5 | H253 R288 | H253-E255 VanDerWaalsContact C-N 3.28Å; H253-E255 PolarHBondContact O-N 3.13Å; E255-R288 IonicContact OE1-CZ 3.88Å; E255-R288 IonicContact OE1-NE 3.73Å; E255-R288 IonicContact OE1-NH2 3.33Å; E255-R288 PolarHBondContact OE1-NH2 2.91Å; E255-R288 IonicContact OE2-NH2 3.61Å; E255-R288 PolarHBondContact OE2-NH2 2.88Å |
| 256 | N | 96.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -73.3 | 151.1 | 173.3 | -62.3 | 124.7 | 0 | 0 | 0 | 111.5 | H253 I261 K286 | H253-N256 VanDerWaalsContact CA-OD1 3.26Å; H253-N256 WeakPolarHBondContact CA-OD1 3.4Å; H253-N256 WeakPolarHBondContact CB-OD1 3.43Å; H253-N256 PolarHBondContact ND1-OD1 3.38Å; H253-N256 WeakPolarHBondContact O-CB 3.43Å; H253-N256 PolarHBondContact O-N 3.36Å; N256-I261 HydrophobicContact CB-CD1 3.66Å; N256-I261 HydrophobicContact CB-CG1 3.51Å; N256-K286 PolarHBondContact O-NZ 3.37Å |
| 257 | D | 94 | Very high | 96.9 | Very high | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 36% | 0.361 | S | S | * | . | trans | -74.1 | 155.4 | 177.4 | -70.1 | -39.7 | 0 | 0 | 0 | 112.4 | D259 A260 I261 | D257-D259 PolarHBondContact O-N 3.3Å; D257-A260 PolarHBondContact O-N 3.04Å; D257-I261 PolarHBondContact O-N 2.9Å | ||
| 258 | K | 93.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 41% | 0.409 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.3 | -44.9 | 178.6 | 173.5 | -169.4 | 165.3 | -154.8 | 0 | 111.4 | A260 I261 Q262 F284 | K258-A260 PolarHBondContact O-N 3.03Å; K258-I261 PolarHBondContact O-N 3.04Å; K258-Q262 HydrophobicContact CG-CB 4.49Å; K258-Q262 VanDerWaalsContact O-CB 3.28Å; K258-Q262 WeakPolarHBondContact O-CB 3.37Å; K258-Q262 PolarHBondContact O-N 2.67Å; K258-F284 HydrophobicContact CB-CD1 4.22Å; K258-F284 HydrophobicContact CB-CE1 4.21Å; K258-F284 HydrophobicContact CD-CB 3.96Å; K258-F284 HydrophobicContact CD-CD1 4.16Å; K258-F284 HydrophobicContact CD-CG 4.15Å; K258-F284 HydrophobicContact CG-CB 4.09Å; K258-F284 HydrophobicContact CG-CD1 3.71Å; K258-F284 HydrophobicContact CG-CD2 4.19Å; K258-F284 HydrophobicContact CG-CE1 4.1Å; K258-F284 HydrophobicContact CG-CG 3.76Å; K258-F284 HydrophobicContact CG-CZ 4.48Å |
| 259 | D | 95.1 | Very high | 96.9 | Very high | 128 Ų | 128 | 61 Ų | 61 | 68% | 0.684 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.9 | -21.8 | -172.5 | -58.8 | -27.6 | 0 | 0 | 0 | 112.3 | D257 P263 | D257-D259 PolarHBondContact O-N 3.3Å; D259-P263 WeakPolarHBondContact O-CD 3.46Å; D259-P263 WeakPolarHBondContact O-CG 3.38Å |
| 260 | A | 95.9 | Very high | 96.9 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -81.4 | -38.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D257 K258 | D257-A260 PolarHBondContact O-N 3.04Å; K258-A260 PolarHBondContact O-N 3.03Å |
| 261 | I | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -90.4 | -33.3 | -170.9 | -62.8 | -52.6 | 0 | 0 | 0 | 113.5 | F193 F249 H253 N256 D257 K258 V264 I265 F284 | F193-I261 HydrophobicContact CD2-CG2 4Å; F193-I261 HydrophobicContact CE1-CG2 4.47Å; F193-I261 HydrophobicContact CE2-CG2 3.93Å; F193-I261 HydrophobicContact CG-CG2 4.33Å; F193-I261 HydrophobicContact CZ-CG2 4.16Å; F249-I261 HydrophobicContact CE1-CG2 3.91Å; F249-I261 HydrophobicContact CZ-CG2 4.26Å; H253-I261 HydrophobicContact CB-CD1 3.64Å; H253-I261 HydrophobicContact CB-CG1 4.14Å; N256-I261 HydrophobicContact CB-CD1 3.66Å; N256-I261 HydrophobicContact CB-CG1 3.51Å; D257-I261 PolarHBondContact O-N 2.9Å; K258-I261 PolarHBondContact O-N 3.04Å; I261-V264 PolarHBondContact O-N 3.41Å; I261-I265 HydrophobicContact CG2-CD1 3.7Å; I261-I265 HydrophobicContact CG2-CG1 4.18Å; I261-I265 PolarHBondContact O-N 2.96Å; I261-I265 VanDerWaalsContact O-N 3.16Å; I261-F284 HydrophobicContact CG2-CE2 4.4Å; I261-F284 HydrophobicContact CG2-CZ 4.29Å |
| 262 | Q | 98.1 | Very high | 97 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | -179.6 | -175.6 | -178.8 | -64.1 | 0 | 0 | 112.1 | I195 K258 V264 I265 L266 F284 | I195-Q262 HydrophobicContact CD1-CG 4.17Å; K258-Q262 HydrophobicContact CG-CB 4.49Å; K258-Q262 VanDerWaalsContact O-CB 3.28Å; K258-Q262 WeakPolarHBondContact O-CB 3.37Å; K258-Q262 PolarHBondContact O-N 2.67Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3.12Å; Q262-I265 PolarHBondContact O-N 2.91Å; Q262-L266 HydrophobicContact CG-CD1 4.03Å; Q262-L266 HydrophobicContact CG-CG 4.38Å; Q262-L266 VanDerWaalsContact O-CG 3.32Å; Q262-L266 WeakPolarHBondContact O-CG 3.2Å; Q262-L266 PolarHBondContact O-N 3.1Å; Q262-F284 HydrophobicContact CB-CD2 3.93Å; Q262-F284 HydrophobicContact CB-CE2 4.1Å; Q262-F284 HydrophobicContact CG-CD2 4.13Å |
| 263 | P | 98.1 | Very high | 97 | Very high | 72 Ų | 72 | 65 Ų | 65 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.6 | -24.2 | 35.7 | 0 | 0 | 0 | 113.6 | D259 L266 Q267 | D259-P263 WeakPolarHBondContact O-CD 3.46Å; D259-P263 WeakPolarHBondContact O-CG 3.38Å; P263-L266 PolarHBondContact O-N 3.47Å; P263-Q267 WeakPolarHBondContact O-CB 3.47Å; P263-Q267 PolarHBondContact O-N 3.12Å |
| 264 | V | 98.3 | Very high | 97 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | F249 I261 Q262 Q267 E268 | F249-V264 HydrophobicContact CE2-CG1 3.98Å; F249-V264 HydrophobicContact CZ-CB 4.48Å; F249-V264 HydrophobicContact CZ-CG1 3.88Å; I261-V264 PolarHBondContact O-N 3.41Å; Q262-V264 VanDerWaalsContact C-N 3.32Å; Q262-V264 PolarHBondContact O-N 3.12Å; V264-Q267 PolarHBondContact O-N 3.45Å; V264-E268 PolarHBondContact O-N 2.61Å; V264-E268 VanDerWaalsContact O-N 3.13Å |
| 265 | I | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 177.7 | -60.6 | 166.2 | 0 | 0 | 0 | 110.6 | F193 I195 I220 V243 T245 F249 I261 Q262 E268 L269 F284 | F193-I265 HydrophobicContact CB-CD1 3.76Å; F193-I265 HydrophobicContact CD2-CD1 4.37Å; F193-I265 HydrophobicContact CG-CD1 4.21Å; I195-I265 HydrophobicContact CD1-CB 3.73Å; I195-I265 HydrophobicContact CD1-CD1 3.89Å; I195-I265 HydrophobicContact CD1-CG1 4.43Å; I195-I265 HydrophobicContact CD1-CG2 3.55Å; I195-I265 HydrophobicContact CG1-CD1 4.42Å; I195-I265 HydrophobicContact CG1-CG2 4.35Å; I220-I265 HydrophobicContact CD1-CG2 4.4Å; I220-I265 HydrophobicContact CG1-CG2 4.38Å; V243-I265 HydrophobicContact CG1-CG2 4.2Å; T245-I265 HydrophobicContact CG2-CD1 3.52Å; T245-I265 HydrophobicContact CG2-CG1 3.79Å; T245-I265 HydrophobicContact CG2-CG2 4.34Å; F249-I265 HydrophobicContact CE1-CD1 4.19Å; F249-I265 HydrophobicContact CE1-CG1 3.88Å; F249-I265 HydrophobicContact CZ-CG1 4.18Å; I261-I265 HydrophobicContact CG2-CD1 3.7Å; I261-I265 HydrophobicContact CG2-CG1 4.18Å; I261-I265 PolarHBondContact O-N 2.96Å; I261-I265 VanDerWaalsContact O-N 3.16Å; Q262-I265 PolarHBondContact O-N 2.91Å; I265-E268 PolarHBondContact O-N 2.77Å; I265-L269 WeakPolarHBondContact O-CB 3.41Å; I265-L269 PolarHBondContact O-N 3Å; I265-F284 HydrophobicContact CD1-CE2 4.03Å |
| 266 | L | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 178.7 | -67.4 | 176.2 | 0 | 0 | 0 | 112.3 | L197 Q262 P263 L269 H270 I282 | L197-L266 HydrophobicContact CD2-CD2 3.75Å; Q262-L266 HydrophobicContact CG-CD1 4.03Å; Q262-L266 HydrophobicContact CG-CG 4.38Å; Q262-L266 VanDerWaalsContact O-CG 3.32Å; Q262-L266 WeakPolarHBondContact O-CG 3.2Å; Q262-L266 PolarHBondContact O-N 3.1Å; P263-L266 PolarHBondContact O-N 3.47Å; L266-L269 HydrophobicContact CD2-CD2 4.46Å; L266-L269 WeakPolarHBondContact O-CB 3.44Å; L266-L269 PolarHBondContact O-N 3.3Å; L266-H270 WeakPolarHBondContact O-CB 3.37Å; L266-H270 PolarHBondContact O-N 3.45Å; L266-I282 HydrophobicContact CD1-CD1 3.85Å; L266-I282 HydrophobicContact CD2-CD1 4.25Å |
| 267 | Q | 98.2 | Very high | 97 | Very high | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 174.5 | -175 | 179.4 | 19.4 | 0 | 0 | 111.2 | P263 V264 L269 H270 R271 | P263-Q267 WeakPolarHBondContact O-CB 3.47Å; P263-Q267 PolarHBondContact O-N 3.12Å; V264-Q267 PolarHBondContact O-N 3.45Å; Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 2.93Å; Q267-H270 PolarHBondContact O-N 2.79Å; Q267-R271 PolarHBondContact O-N 3.34Å |
| 268 | E | 98.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 175.9 | -177.7 | 70.5 | 168.6 | 0 | 0 | 111.8 | S217 C219 I220 V264 I265 H270 R271 L272 | S217-E268 WeakPolarHBondContact CB-OE1 3.24Å; S217-E268 WeakPolarHBondContact OG-CG 3.42Å; S217-E268 PolarHBondContact OG-OE1 3.37Å; C219-E268 HydrophobicContact CB-CB 4.29Å; C219-E268 HydrophobicContact CB-CG 4Å; I220-E268 HydrophobicContact CD1-CB 4.08Å; I220-E268 HydrophobicContact CD1-CG 3.89Å; I220-E268 HydrophobicContact CG1-CB 4.47Å; I220-E268 HydrophobicContact CG1-CG 4.05Å; V264-E268 PolarHBondContact O-N 2.61Å; V264-E268 VanDerWaalsContact O-N 3.13Å; I265-E268 PolarHBondContact O-N 2.77Å; E268-H270 VanDerWaalsContact C-N 3.33Å; E268-H270 PolarHBondContact O-N 3.21Å; E268-R271 WeakPolarHBondContact O-CB 3.3Å; E268-R271 PolarHBondContact O-N 2.86Å; E268-R271 IonicContact OE1-CZ 3.2Å; E268-R271 IonicContact OE1-NE 2.67Å; E268-R271 PolarHBondContact OE1-NE 3.14Å; E268-R271 IonicContact OE1-NH2 3.56Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.57Å; E268-R271 IonicContact OE2-NE 2.71Å; E268-R271 PolarHBondContact OE2-NE 3.38Å; E268-R271 IonicContact OE2-NH2 2.79Å; E268-L272 HydrophobicContact CG-CD1 4.42Å; E268-L272 WeakPolarHBondContact O-CG 3.3Å; E268-L272 PolarHBondContact O-N 3.13Å |
| 269 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.8 | -178.6 | 64 | 0 | 0 | 0 | 111.1 | L197 I220 I223 L241 V243 I265 L266 Q267 R271 L272 L273 L276 | L197-L269 HydrophobicContact CD1-CD2 3.91Å; L197-L269 HydrophobicContact CD2-CD2 3.81Å; I220-L269 HydrophobicContact CD1-CB 3.82Å; I220-L269 HydrophobicContact CD1-CD1 4.26Å; I223-L269 HydrophobicContact CD1-CD1 3.81Å; I223-L269 HydrophobicContact CG1-CD1 4.42Å; L241-L269 HydrophobicContact CD2-CD1 4.4Å; L241-L269 HydrophobicContact CD2-CD2 4.36Å; V243-L269 HydrophobicContact CG2-CD1 3.8Å; V243-L269 HydrophobicContact CG2-CD2 3.92Å; V243-L269 HydrophobicContact CG2-CG 4.45Å; I265-L269 WeakPolarHBondContact O-CB 3.41Å; I265-L269 PolarHBondContact O-N 3Å; L266-L269 HydrophobicContact CD2-CD2 4.46Å; L266-L269 WeakPolarHBondContact O-CB 3.44Å; L266-L269 PolarHBondContact O-N 3.3Å; Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 2.93Å; L269-R271 VanDerWaalsContact C-N 3.34Å; L269-L272 PolarHBondContact O-N 2.94Å; L269-L273 HydrophobicContact CD1-CD1 3.91Å; L269-L273 PolarHBondContact O-N 2.77Å; L269-L276 HydrophobicContact CD2-CD2 3.6Å; L269-L276 HydrophobicContact CG-CD2 3.88Å |
| 270 | H | 97.6 | Very high | 97.4 | Very high | 110 Ų | 110 | 61.1 Ų | 61.1 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 176.9 | -174.5 | 62.2 | 0 | 0 | 0 | 112.1 | L266 Q267 E268 L272 L273 P274 | L266-H270 WeakPolarHBondContact O-CB 3.37Å; L266-H270 PolarHBondContact O-N 3.45Å; Q267-H270 PolarHBondContact O-N 2.79Å; E268-H270 VanDerWaalsContact C-N 3.33Å; E268-H270 PolarHBondContact O-N 3.21Å; H270-L272 VanDerWaalsContact C-N 3.32Å; H270-L272 PolarHBondContact O-N 2.85Å; H270-L273 CarbonylContact O-C 3.17Å; H270-L273 PolarHBondContact O-N 3.08Å; H270-P274 PolarHBondContact CE1-O 2.96Å; H270-P274 PolarHBondContact ND1-O 3.45Å; H270-P274 WeakPolarHBondContact O-CA 3.36Å |
| 271 | R | 97.9 | Very high | 97.5 | Very high | 121 Ų | 121 | 59.7 Ų | 59.7 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 171.6 | -171.4 | -167.2 | 66.1 | 77.4 | -6.7 | 111.9 | D216 Q267 E268 L269 | D216-R271 PolarHBondContact O-NH2 3.38Å; Q267-R271 PolarHBondContact O-N 3.34Å; E268-R271 WeakPolarHBondContact O-CB 3.3Å; E268-R271 PolarHBondContact O-N 2.86Å; E268-R271 IonicContact OE1-CZ 3.2Å; E268-R271 IonicContact OE1-NE 2.67Å; E268-R271 PolarHBondContact OE1-NE 3.14Å; E268-R271 IonicContact OE1-NH2 3.56Å; E268-R271 PolarHBondContact OE1-NH2 3.01Å; E268-R271 IonicContact OE2-CZ 3.57Å; E268-R271 IonicContact OE2-NE 2.71Å; E268-R271 PolarHBondContact OE2-NE 3.38Å; E268-R271 IonicContact OE2-NH2 2.79Å; L269-R271 VanDerWaalsContact C-N 3.34Å |
| 272 | L | 97.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 179.8 | -68.9 | 172.4 | 0 | 0 | 0 | 113 | V214 I220 I223 E268 L269 H270 | V214-L272 HydrophobicContact CG1-CD1 3.85Å; V214-L272 HydrophobicContact CG1-CD2 4.12Å; V214-L272 HydrophobicContact CG2-CD1 4.3Å; I220-L272 HydrophobicContact CB-CD1 3.97Å; I220-L272 HydrophobicContact CD1-CD1 3.99Å; I220-L272 HydrophobicContact CG2-CD1 4.13Å; I223-L272 HydrophobicContact CD1-CD1 4.28Å; E268-L272 HydrophobicContact CG-CD1 4.42Å; E268-L272 WeakPolarHBondContact O-CG 3.3Å; E268-L272 PolarHBondContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 2.94Å; H270-L272 VanDerWaalsContact C-N 3.32Å; H270-L272 PolarHBondContact O-N 2.85Å |
| 273 | L | 97.2 | Very high | 97.5 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | trans | -133.2 | 77.1 | -178.3 | -56.3 | 176.3 | 0 | 0 | 0 | 109.9 | F207 W209 I223 L241 L269 H270 D275 L276 | F207-L273 HydrophobicContact CD1-CD2 3.99Å; F207-L273 HydrophobicContact CE1-CD1 3.91Å; F207-L273 HydrophobicContact CE1-CD2 3.92Å; F207-L273 HydrophobicContact CE1-CG 4.42Å; F207-L273 HydrophobicContact CZ-CD1 4.12Å; W209-L273 HydrophobicContact CH2-CD1 4.43Å; W209-L273 HydrophobicContact CZ2-CD2 4.1Å; I223-L273 HydrophobicContact CD1-CD1 4.19Å; I223-L273 HydrophobicContact CG2-CD1 4.48Å; L241-L273 HydrophobicContact CD2-CD1 4.34Å; L269-L273 HydrophobicContact CD1-CD1 3.91Å; L269-L273 PolarHBondContact O-N 2.77Å; H270-L273 CarbonylContact O-C 3.17Å; H270-L273 PolarHBondContact O-N 3.08Å; L273-D275 VanDerWaalsContact C-N 3.26Å; L273-D275 PolarHBondContact O-N 3.18Å; L273-L276 HydrophobicContact CB-CB 4.03Å; L273-L276 HydrophobicContact CD1-CD1 4.48Å; L273-L276 VanDerWaalsContact O-CB 3.27Å; L273-L276 WeakPolarHBondContact O-CB 3.16Å; L273-L276 PolarHBondContact O-N 3.33Å; L273-L276 VanDerWaalsContact O-N 3.13Å | ||
| 274 | P | 96.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.9 | -175.1 | -26.4 | 35.9 | 0 | 0 | 0 | 113.9 | H270 L276 | H270-P274 PolarHBondContact CE1-O 2.96Å; H270-P274 PolarHBondContact ND1-O 3.45Å; H270-P274 WeakPolarHBondContact O-CA 3.36Å; P274-L276 VanDerWaalsContact C-N 3.27Å; P274-L276 PolarHBondContact O-N 3.02Å |
| 275 | D | 95.7 | Very high | 97.4 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 12.2 | -178.6 | -53.5 | -44.1 | 0 | 0 | 0 | 113.2 | L273 P277 | L273-D275 VanDerWaalsContact C-N 3.26Å; L273-D275 PolarHBondContact O-N 3.18Å; D275-P277 VanDerWaalsContact O-CD 3.27Å; D275-P277 WeakPolarHBondContact O-CD 3.38Å |
| 276 | L | 96.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 122.6 | 179.4 | -171.3 | 69 | 0 | 0 | 0 | 109.8 | F199 F205 L241 L269 L273 P274 | F199-L276 HydrophobicContact CE1-CD1 4.36Å; F199-L276 HydrophobicContact CE1-CG 4.4Å; F199-L276 HydrophobicContact CZ-CD1 4.01Å; F199-L276 HydrophobicContact CZ-CD2 4.39Å; F199-L276 HydrophobicContact CZ-CG 4.23Å; F205-L276 HydrophobicContact CD1-CD1 3.95Å; F205-L276 HydrophobicContact CE1-CD1 3.64Å; F205-L276 HydrophobicContact CZ-CD1 4.46Å; L241-L276 HydrophobicContact CD2-CD1 4.03Å; L241-L276 HydrophobicContact CD2-CD2 3.99Å; L269-L276 HydrophobicContact CD2-CD2 3.6Å; L269-L276 HydrophobicContact CG-CD2 3.88Å; L273-L276 HydrophobicContact CB-CB 4.03Å; L273-L276 HydrophobicContact CD1-CD1 4.48Å; L273-L276 VanDerWaalsContact O-CB 3.27Å; L273-L276 WeakPolarHBondContact O-CB 3.16Å; L273-L276 PolarHBondContact O-N 3.33Å; L273-L276 VanDerWaalsContact O-N 3.13Å; P274-L276 VanDerWaalsContact C-N 3.27Å; P274-L276 PolarHBondContact O-N 3.02Å |
| 277 | P | 96.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 167.4 | 178 | -26.3 | 38.2 | 0 | 0 | 0 | 112.6 | F199 V203 D275 | F199-P277 HydrophobicContact CD1-CB 4.42Å; F199-P277 HydrophobicContact CE1-CB 4.47Å; F199-P277 WeakPolarHBondContact CE1-O 3.35Å; V203-P277 HydrophobicContact CG1-CB 4.38Å; V203-P277 HydrophobicContact CG1-CG 3.96Å; V203-P277 HydrophobicContact CG2-CB 4.16Å; V203-P277 HydrophobicContact CG2-CG 4.44Å; D275-P277 VanDerWaalsContact O-CD 3.27Å; D275-P277 WeakPolarHBondContact O-CD 3.38Å |
| 278 | Q | 95.8 | Very high | 97.3 | Very high | 169 Ų | 169 | 60.3 Ų | 60.3 | 79% | 0.79 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 129.2 | 173 | -69.7 | -63.5 | -32.7 | 0 | 0 | 110.3 | ||
| 279 | P | 97.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 148.7 | 175.3 | 33.4 | -37.9 | 0 | 0 | 0 | 111.3 | L197 F198 F199 I282 | L197-P279 HydrophobicContact CB-CB 3.97Å; L197-P279 HydrophobicContact CB-CG 4.5Å; L197-P279 HydrophobicContact CD2-CB 4.43Å; L197-P279 HydrophobicContact CD2-CG 4.09Å; F198-P279 CarbonylContact O-C 3.55Å; F198-P279 WeakPolarHBondContact O-CA 3.36Å; F198-P279 WeakPolarHBondContact O-CB 3.38Å; F199-P279 HydrophobicContact CD1-CB 4.32Å; F199-P279 HydrophobicContact CE1-CB 4.01Å; F199-P279 HydrophobicContact CZ-CB 4.18Å; P279-I282 HydrophobicContact CB-CG1 4.3Å; P279-I282 HydrophobicContact CG-CD1 3.83Å; P279-I282 HydrophobicContact CG-CG1 3.77Å |
| 280 | V | 97.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -73.8 | -31.5 | 173.7 | -61 | 0 | 0 | 0 | 0 | 112 | F198 | F198-V280 HydrophobicContact CB-CG2 4.2Å; F198-V280 VanDerWaalsContact O-CG2 3.25Å; F198-V280 WeakPolarHBondContact O-CG2 3.27Å; F198-V280 PolarHBondContact O-N 3.46Å |
| 281 | S | 97.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 157.7 | 175.2 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | P49 F198 | P49-S281 WeakPolarHBondContact CD-OG 3.49Å; F198-S281 WeakPolarHBondContact CD2-OG 3.31Å; F198-S281 PolarHBondContact N-O 2.89Å; F198-S281 PolarHBondContact O-N 3.38Å |
| 282 | I | 97.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.8 | -177.5 | -61.5 | 174.7 | 0 | 0 | 0 | 109.7 | I195 A196 L266 P279 | I195-I282 HydrophobicContact CG2-CG2 3.49Å; I195-I282 VanDerWaalsContact CG2-CG2 3.49Å; A196-I282 CarbonylContact O-C 3.55Å; A196-I282 WeakPolarHBondContact O-CA 3.24Å; L266-I282 HydrophobicContact CD1-CD1 3.85Å; L266-I282 HydrophobicContact CD2-CD1 4.25Å; P279-I282 HydrophobicContact CB-CG1 4.3Å; P279-I282 HydrophobicContact CG-CD1 3.83Å; P279-I282 HydrophobicContact CG-CG1 3.77Å |
| 283 | K | 97.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.1 | 170.8 | 178.4 | 66.5 | 177 | -172.8 | 0 | 110.1 | L58 I195 A196 F198 | L58-K283 HydrophobicContact CD1-CG 3.61Å; I195-K283 CarbonylContact C-O 3.54Å; I195-K283 WeakPolarHBondContact CA-O 3.4Å; A196-K283 HydrophobicContact CB-CB 4.29Å; A196-K283 PolarHBondContact N-O 3.5Å; A196-K283 PolarHBondContact O-N 3.41Å; F198-K283 HydrophobicContact CE2-CB 3.88Å |
| 284 | F | 97.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 63 Ų | 63 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.1 | 175.4 | -173.1 | -85.3 | 0 | 0 | 0 | 111.3 | F193 I195 K258 I261 Q262 I265 K286 | F193-F284 HydrophobicContact CB-CE2 4.4Å; F193-F284 HydrophobicContact CB-CZ 4.19Å; F193-F284 AromaticContact CD1-CE1 3.66Å; F193-F284 HydrophobicContact CD1-CE1 3.66Å; F193-F284 HydrophobicContact CD1-CE2 4.19Å; F193-F284 AromaticContact CD1-CZ 3.23Å; F193-F284 HydrophobicContact CD1-CZ 3.23Å; F193-F284 HydrophobicContact CE1-CE1 4.08Å; F193-F284 AromaticContact CE1-CZ 3.74Å; F193-F284 HydrophobicContact CE1-CZ 3.74Å; F193-F284 HydrophobicContact CG-CE2 4.49Å; F193-F284 AromaticContact CG-CZ 3.91Å; F193-F284 HydrophobicContact CG-CZ 3.91Å; I195-F284 HydrophobicContact CD1-CD2 3.97Å; I195-F284 HydrophobicContact CD1-CE2 4.3Å; I195-F284 HydrophobicContact CG1-CD2 3.82Å; I195-F284 HydrophobicContact CG1-CE2 4.33Å; K258-F284 HydrophobicContact CB-CD1 4.22Å; K258-F284 HydrophobicContact CB-CE1 4.21Å; K258-F284 HydrophobicContact CD-CB 3.96Å; K258-F284 HydrophobicContact CD-CD1 4.16Å; K258-F284 HydrophobicContact CD-CG 4.15Å; K258-F284 HydrophobicContact CG-CB 4.09Å; K258-F284 HydrophobicContact CG-CD1 3.71Å; K258-F284 HydrophobicContact CG-CD2 4.19Å; K258-F284 HydrophobicContact CG-CE1 4.1Å; K258-F284 HydrophobicContact CG-CG 3.76Å; K258-F284 HydrophobicContact CG-CZ 4.48Å; I261-F284 HydrophobicContact CG2-CE2 4.4Å; I261-F284 HydrophobicContact CG2-CZ 4.29Å; Q262-F284 HydrophobicContact CB-CD2 3.93Å; Q262-F284 HydrophobicContact CB-CE2 4.1Å; Q262-F284 HydrophobicContact CG-CD2 4.13Å; I265-F284 HydrophobicContact CD1-CE2 4.03Å; F284-K286 HydrophobicContact CE1-CB 4.31Å |
| 285 | Q | 97.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 124.4 | 176.6 | 179.6 | 60.6 | 52.3 | 0 | 0 | 111.2 | L58 F193 A194 W287 | L58-Q285 HydrophobicContact CB-CB 4.45Å; L58-Q285 HydrophobicContact CD1-CB 3.94Å; F193-Q285 WeakPolarHBondContact CA-O 3.43Å; A194-Q285 HydrophobicContact CB-CB 4.36Å; A194-Q285 PolarHBondContact N-O 2.68Å; A194-Q285 PolarHBondContact O-N 3.41Å; Q285-W287 HydrophobicContact CG-CD2 3.86Å; Q285-W287 HydrophobicContact CG-CE3 4.41Å; Q285-W287 HydrophobicContact CG-CG 4.35Å; Q285-W287 HydrophobicContact CG-CH2 4.03Å; Q285-W287 HydrophobicContact CG-CZ2 3.47Å; Q285-W287 VanDerWaalsContact CG-CZ2 3.47Å; Q285-W287 HydrophobicContact CG-CZ3 4.48Å |
| 286 | K | 97.9 | Very high | 97.3 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.3 | 171.7 | -177.2 | -179.8 | -66.3 | -166.7 | 0 | 109 | F193 L254 N256 F284 | F193-K286 HydrophobicContact CD1-CB 4.13Å; F193-K286 HydrophobicContact CD1-CG 4.16Å; F193-K286 HydrophobicContact CE1-CB 4.06Å; F193-K286 HydrophobicContact CE1-CD 4.17Å; F193-K286 HydrophobicContact CE1-CG 3.69Å; L254-K286 HydrophobicContact CD1-CD 4.27Å; L254-K286 HydrophobicContact CD1-CG 4.43Å; L254-K286 WeakPolarHBondContact O-CE 3.27Å; L254-K286 PolarHBondContact O-NZ 2.93Å; N256-K286 PolarHBondContact O-NZ 3.37Å; F284-K286 HydrophobicContact CE1-CB 4.31Å |
| 287 | W | 97.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 80.9 | 172.4 | -63.7 | 119.1 | 0 | 0 | 0 | 109.4 | G41 R42 S44 L58 S191 R192 Q285 Y289 | G41-W287 VanDerWaalsContact O-CH2 3.26Å; G41-W287 WeakPolarHBondContact O-CH2 3.45Å; R42-W287 HydrophobicContact CG-CE3 3.87Å; R42-W287 HydrophobicContact CG-CH2 4.47Å; R42-W287 HydrophobicContact CG-CZ3 3.82Å; S44-W287 WeakPolarHBondContact OG-CH2 3.23Å; L58-W287 HydrophobicContact CB-CZ2 4.41Å; L58-W287 PolarHBondContact O-NE1 2.89Å; S191-W287 WeakPolarHBondContact CA-O 3.39Å; R192-W287 PolarHBondContact N-O 3.18Å; R192-W287 VanDerWaalsContact N-O 3.12Å; R192-W287 WeakPolarHBondContact O-CA 3.35Å; R192-W287 WeakPolarHBondContact O-CB 3.38Å; R192-W287 PolarHBondContact O-N 3.42Å; Q285-W287 HydrophobicContact CG-CD2 3.86Å; Q285-W287 HydrophobicContact CG-CE3 4.41Å; Q285-W287 HydrophobicContact CG-CG 4.35Å; Q285-W287 HydrophobicContact CG-CH2 4.03Å; Q285-W287 HydrophobicContact CG-CZ2 3.47Å; Q285-W287 VanDerWaalsContact CG-CZ2 3.47Å; Q285-W287 HydrophobicContact CG-CZ3 4.48Å; W287-Y289 PolarHBondContact O-N 2.87Å |
| 288 | R | 97.5 | Very high | 96.8 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -38.2 | 175.8 | 172.8 | 170.3 | -86.5 | 104 | -5.8 | 112 | S191 L254 E255 | S191-R288 PolarHBondContact OG-O 2.98Å; L254-R288 HydrophobicContact CD1-CB 3.89Å; L254-R288 HydrophobicContact CD1-CG 3.97Å; L254-R288 HydrophobicContact CD2-CG 4.19Å; E255-R288 IonicContact OE1-CZ 3.88Å; E255-R288 IonicContact OE1-NE 3.73Å; E255-R288 IonicContact OE1-NH2 3.33Å; E255-R288 PolarHBondContact OE1-NH2 2.91Å; E255-R288 IonicContact OE2-NH2 3.61Å; E255-R288 PolarHBondContact OE2-NH2 2.88Å |
| 289 | Y | 97.9 | Very high | 96.5 | Very high | 48 Ų | 48 | 57 Ų | 57 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 75.9 | 175.3 | -49.5 | -59 | 0 | 0 | 0 | 108 | R42 P161 P163 Q164 Y189 W287 | R42-Y289 WeakPolarHBondContact CD-O 3.36Å; P161-Y289 HydrophobicContact CB-CD2 3.91Å; P161-Y289 HydrophobicContact CB-CG 4.01Å; P161-Y289 HydrophobicContact CG-CD2 4.15Å; P161-Y289 HydrophobicContact CG-CG 4.42Å; P163-Y289 HydrophobicContact CB-CD1 4.49Å; P163-Y289 HydrophobicContact CB-CE1 3.66Å; P163-Y289 HydrophobicContact CB-CE2 4.33Å; P163-Y289 WeakPolarHBondContact CB-OH 3.45Å; P163-Y289 HydrophobicContact CG-CD1 4.07Å; P163-Y289 HydrophobicContact CG-CE1 3.6Å; Q164-Y289 HydrophobicContact CG-CD2 4.44Å; Q164-Y289 HydrophobicContact CG-CE2 3.94Å; Y189-Y289 HydrophobicContact CD2-CD1 4.07Å; Y189-Y289 HydrophobicContact CG-CD1 4.14Å; Y189-Y289 HydrophobicContact CG-CG 4.48Å; W287-Y289 PolarHBondContact O-N 2.87Å |
| 290 | S | 97.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 32% | 0.32 | C | S | . | . | trans | -75.2 | -74.3 | -174.6 | -177.7 | 0 | 0 | 0 | 0 | 111 | R42 S190 | R42-S290 WeakPolarHBondContact CD-O 3.32Å; R42-S290 PolarHBondContact NH1-O 3.38Å; S190-S290 WeakPolarHBondContact O-CB 3.27Å; S190-S290 PolarHBondContact O-N 2.76Å | ||
| 291 | Q | 97.8 | Very high | 96.2 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -128.1 | 142.9 | 178.2 | -62.2 | 174.6 | -64.7 | 0 | 0 | 109.8 | Y189 S190 L293 S321 | Y189-Q291 CarbonylContact C-O 3.58Å; Y189-Q291 VanDerWaalsContact CA-O 3.3Å; Y189-Q291 WeakPolarHBondContact CA-O 3.45Å; S190-Q291 PolarHBondContact N-O 3.22Å; S190-Q291 PolarHBondContact OG-N 3.46Å; S190-Q291 VanDerWaalsContact OG-N 3.12Å; S190-Q291 PolarHBondContact OG-O 3.18Å; Q291-L293 PolarHBondContact O-N 3.1Å; Q291-S321 WeakPolarHBondContact CA-OG 3.05Å |
| 292 | V | 97.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 126.3 | 173.7 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | Y189 T294 D316 A317 S321 | Y189-V292 HydrophobicContact CD1-CG2 3.81Å; Y189-V292 HydrophobicContact CE1-CG2 3.38Å; V292-T294 VanDerWaalsContact CG1-C 3.47Å; V292-T294 WeakPolarHBondContact CG1-O 3.34Å; V292-D316 HydrophobicContact CG2-CB 4.36Å; V292-D316 WeakPolarHBondContact CG2-OD2 3.49Å; V292-A317 HydrophobicContact CG2-CB 4.3Å; V292-S321 WeakPolarHBondContact CB-OG 3.15Å; V292-S321 WeakPolarHBondContact CG2-OG 3.47Å; V292-S321 PolarHBondContact N-OG 2.75Å |
| 293 | L | 96 | Very high | 96.2 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -35.2 | 170.5 | -66.6 | 177.5 | 0 | 0 | 0 | 110.9 | R188 Q291 | R188-L293 HydrophobicContact CB-CB 4.34Å; R188-L293 PolarHBondContact O-N 2.95Å; Q291-L293 PolarHBondContact O-N 3.1Å |
| 294 | T | 97.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 113.5 | 177.4 | -51 | 0 | 0 | 0 | 0 | 107.3 | V187 R188 V292 | V187-T294 WeakPolarHBondContact CA-O 3.4Å; V187-T294 WeakPolarHBondContact CG1-O 3.22Å; R188-T294 PolarHBondContact N-O 3.4Å; R188-T294 PolarHBondContact O-N 3.25Å; V292-T294 VanDerWaalsContact CG1-C 3.47Å; V292-T294 WeakPolarHBondContact CG1-O 3.34Å |
| 295 | S | 97.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 171.5 | 177 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | A317 | S295-A317 CarbonylContact C-O 3.59Å; S295-A317 VanDerWaalsContact CA-O 3.3Å; S295-A317 WeakPolarHBondContact CA-O 3.19Å; S295-A317 VanDerWaalsContact CB-O 3.24Å; S295-A317 WeakPolarHBondContact CB-O 3.44Å |
| 296 | V | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 125.9 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | Q183 L184 V187 C299 M303 A317 F318 | Q183-V296 HydrophobicContact CB-CG1 4.24Å; L184-V296 HydrophobicContact CD2-CG2 4.17Å; V187-V296 HydrophobicContact CG2-CG2 3.56Å; V296-C299 HydrophobicContact CB-CB 3.98Å; V296-C299 HydrophobicContact CG1-CB 3.77Å; V296-M303 HydrophobicContact CG1-CE 3.81Å; V296-A317 PolarHBondContact N-O 3.3Å; V296-F318 HydrophobicContact CB-CD1 4.13Å; V296-F318 HydrophobicContact CG1-CD1 4.45Å; V296-F318 HydrophobicContact CG2-CD1 3.75Å; V296-F318 HydrophobicContact CG2-CE1 3.76Å; V296-F318 HydrophobicContact CG2-CG 4.46Å; V296-F318 HydrophobicContact CG2-CZ 4.47Å |
| 297 | P | 92.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 143.9 | -176.1 | 28.7 | -35.1 | 0 | 0 | 0 | 111.6 | Q183 C299 | Q183-P297 HydrophobicContact CG-CG 3.96Å; P297-C299 PolarHBondContact O-N 2.94Å; P297-C299 VanDerWaalsContact O-N 3.08Å |
| 298 | N | 89.5 | Confident | 95.6 | Very high | 172 Ų | 172 | 58 Ų | 58 | 92% | 0.92 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32 | 174.6 | -56.1 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 299 | C | 89.4 | Confident | 95.5 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | trans | -94.1 | 134.1 | -176.4 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | V296 P297 G301 H302 F318 | V296-C299 HydrophobicContact CB-CB 3.98Å; V296-C299 HydrophobicContact CG1-CB 3.77Å; P297-C299 PolarHBondContact O-N 2.94Å; P297-C299 VanDerWaalsContact O-N 3.08Å; C299-G301 PolarHBondContact O-N 2.87Å; C299-G301 VanDerWaalsContact O-N 3.12Å; C299-H302 VanDerWaalsContact SG-C 3.6Å; C299-H302 PolarHBondContact SG-O 3.2Å; C299-F318 VanDerWaalsContact SG-CD1 3.59Å | ||
| 300 | P | 90.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -78.2 | 13.7 | 179.1 | 34.1 | -38.1 | 0 | 0 | 0 | 113.5 | S332 | P300-S332 VanDerWaalsContact O-CB 3.27Å; P300-S332 WeakPolarHBondContact O-CB 3.39Å; P300-S332 PolarHBondContact O-OG 2.87Å |
| 301 | G | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 102.3 | -1.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C299 F318 S329 | C299-G301 PolarHBondContact O-N 2.87Å; C299-G301 VanDerWaalsContact O-N 3.12Å; G301-F318 WeakPolarHBondContact CA-O 3.38Å; G301-F318 PolarHBondContact N-O 3.13Å; G301-F318 WeakPolarHBondContact O-CB 3.44Å; G301-S329 WeakPolarHBondContact O-CA 3.37Å; G301-S329 VanDerWaalsContact O-CB 3.31Å; G301-S329 WeakPolarHBondContact O-CB 3.4Å; G301-S329 PolarHBondContact O-OG 3.47Å |
| 302 | H | 98.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.1 | 171 | 77 | -88.7 | 0 | 0 | 0 | 111.6 | C299 I312 C313 S332 V333 | C299-H302 VanDerWaalsContact SG-C 3.6Å; C299-H302 PolarHBondContact SG-O 3.2Å; H302-I312 HydrophobicContact CB-CD1 4.15Å; H302-I312 HydrophobicContact CB-CG1 4.16Å; H302-I312 VanDerWaalsContact CD2-CD1 3.41Å; H302-I312 WeakPolarHBondContact CD2-CD1 3.45Å; H302-C313 CarbonylContact C-O 3.54Å; H302-C313 VanDerWaalsContact CA-O 3.22Å; H302-C313 WeakPolarHBondContact CA-O 3.43Å; H302-C313 WeakPolarHBondContact CB-O 3.26Å; H302-S332 PolarHBondContact ND1-O 2.87Å; H302-S332 PolarHBondContact ND1-OG 2.86Å; H302-V333 HydrophobicContact CB-CG2 3.65Å |
| 303 | M | 98 | Very high | 95.5 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.069 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121 | 169.2 | -175.9 | -172.7 | -77.6 | 0 | 0 | 110.1 | Q180 Q183 L184 V296 I305 C313 F318 | Q180-M303 HydrophobicContact CB-CE 4.42Å; Q180-M303 HydrophobicContact CB-SD 3.86Å; Q180-M303 HydrophobicContact CG-CE 4.31Å; Q180-M303 HydrophobicContact CG-CG 4.42Å; Q180-M303 HydrophobicContact CG-SD 3.76Å; Q183-M303 HydrophobicContact CB-CE 4.25Å; Q183-M303 VanDerWaalsContact OE1-CE 3.32Å; L184-M303 HydrophobicContact CD1-SD 4.17Å; L184-M303 HydrophobicContact CD2-CE 4.25Å; L184-M303 HydrophobicContact CD2-SD 4.19Å; L184-M303 HydrophobicContact CG-CE 4.3Å; L184-M303 HydrophobicContact CG-SD 4.12Å; V296-M303 HydrophobicContact CG1-CE 3.81Å; M303-I305 HydrophobicContact CB-CD1 4.47Å; M303-I305 HydrophobicContact CG-CD1 3.79Å; M303-I305 HydrophobicContact SD-CD1 3.67Å; M303-C313 PolarHBondContact N-O 3.44Å; M303-C313 PolarHBondContact O-N 2.87Å; M303-F318 HydrophobicContact CB-CD1 4.12Å; M303-F318 HydrophobicContact CB-CE1 3.62Å |
| 304 | T | 97.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120 | 173.3 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | Q180 E307 L310 | Q180-T304 PolarHBondContact NE2-O 3.37Å; T304-E307 HydrophobicContact CG2-CG 4.23Å; T304-L310 HydrophobicContact CG2-CD1 4.1Å |
| 305 | I | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -35.4 | 179.7 | -50.5 | -49.3 | 0 | 0 | 0 | 110.9 | L172 L175 L176 M303 L311 | L172-I305 HydrophobicContact CD1-CG2 4.13Å; L175-I305 HydrophobicContact CB-CG2 4.05Å; L176-I305 HydrophobicContact CD2-CD1 3.62Å; L176-I305 HydrophobicContact CD2-CG1 4.41Å; L176-I305 HydrophobicContact CD2-CG2 4.11Å; L176-I305 HydrophobicContact CG-CG2 4.36Å; M303-I305 HydrophobicContact CB-CD1 4.47Å; M303-I305 HydrophobicContact CG-CD1 3.79Å; M303-I305 HydrophobicContact SD-CD1 3.67Å; I305-L311 HydrophobicContact CB-CB 4.39Å; I305-L311 HydrophobicContact CB-CD2 3.99Å; I305-L311 HydrophobicContact CB-CG 3.99Å; I305-L311 HydrophobicContact CG1-CD2 4.5Å; I305-L311 HydrophobicContact CG1-CG 4.31Å; I305-L311 HydrophobicContact CG2-CD2 4.08Å; I305-L311 PolarHBondContact N-O 3.38Å |
| 306 | S | 96.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.4 | 175.6 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | P309 L310 L311 | S306-P309 WeakPolarHBondContact CB-O 3.42Å; S306-P309 PolarHBondContact OG-O 3.24Å; S306-L310 CarbonylContact O-C 3.48Å; S306-L310 WeakPolarHBondContact O-CA 3.45Å; S306-L311 PolarHBondContact N-O 3.26Å; S306-L311 PolarHBondContact O-N 2.88Å |
| 307 | E | 94.1 | Very high | 95.8 | Very high | 148 Ų | 148 | 35.8 Ų | 35.8 | 69% | 0.692 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -30.9 | 176.7 | -63 | -168.3 | 169.5 | 0 | 0 | 112.3 | T304 | T304-E307 HydrophobicContact CG2-CG 4.23Å |
| 308 | Q | 92.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 32.9 Ų | 32.9 | 47% | 0.472 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | 113.9 | -177.4 | -65.3 | -168.8 | 4.2 | 0 | 0 | 111.9 | R137 | R137-Q308 VanDerWaalsContact CZ-O 3.23Å; R137-Q308 PolarHBondContact NH2-O 3.06Å |
| 309 | P | 94.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -63.7 | 149.9 | -12.4 | 25.7 | -29.3 | 0 | 0 | 0 | 111.5 | R137 W142 S306 L311 | R137-P309 HydrophobicContact CG-CG 4.17Å; W142-P309 HydrophobicContact CD2-CG 4.03Å; W142-P309 HydrophobicContact CG-CB 4.49Å; W142-P309 HydrophobicContact CG-CG 4.25Å; W142-P309 HydrophobicContact CZ2-CG 3.86Å; W142-P309 VanDerWaalsContact CZ2-O 3.23Å; W142-P309 WeakPolarHBondContact CZ2-O 3.29Å; W142-P309 PolarHBondContact NE1-O 3.41Å; S306-P309 WeakPolarHBondContact CB-O 3.42Å; S306-P309 PolarHBondContact OG-O 3.24Å; P309-L311 PolarHBondContact O-N 2.82Å |
| 310 | L | 96.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 126.8 | -171.2 | -175.2 | 72 | 0 | 0 | 0 | 111.3 | W142 A155 V156 T304 S306 L337 | W142-L310 PolarHBondContact NE1-O 3.24Å; A155-L310 WeakPolarHBondContact CA-O 3.42Å; A155-L310 HydrophobicContact CB-CB 3.97Å; A155-L310 HydrophobicContact CB-CD2 4.37Å; V156-L310 PolarHBondContact N-O 3.33Å; T304-L310 HydrophobicContact CG2-CD1 4.1Å; S306-L310 CarbonylContact O-C 3.48Å; S306-L310 WeakPolarHBondContact O-CA 3.45Å; L310-L337 HydrophobicContact CD2-CB 4.02Å; L310-L337 HydrophobicContact CD2-CD1 4.01Å; L310-L337 HydrophobicContact CD2-CG 3.64Å |
| 311 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 119.3 | 171 | 174.9 | 62.6 | 0 | 0 | 0 | 109.3 | L135 W142 V156 L158 L172 I305 S306 P309 | L135-L311 HydrophobicContact CD1-CD1 4.06Å; L135-L311 HydrophobicContact CD1-CD2 4.4Å; W142-L311 HydrophobicContact CH2-CB 4.23Å; W142-L311 HydrophobicContact CH2-CD2 3.94Å; W142-L311 HydrophobicContact CZ2-CB 3.45Å; W142-L311 VanDerWaalsContact CZ2-CB 3.45Å; W142-L311 HydrophobicContact CZ2-CD2 4Å; W142-L311 HydrophobicContact CZ2-CG 4.33Å; W142-L311 HydrophobicContact CZ3-CD2 4.44Å; V156-L311 HydrophobicContact CB-CD1 3.82Å; V156-L311 HydrophobicContact CG1-CD1 3.85Å; V156-L311 WeakPolarHBondContact O-CA 3.39Å; L158-L311 HydrophobicContact CD1-CD1 4.07Å; L158-L311 HydrophobicContact CG-CD1 4.07Å; L172-L311 HydrophobicContact CD1-CD2 3.78Å; I305-L311 HydrophobicContact CB-CB 4.39Å; I305-L311 HydrophobicContact CB-CD2 3.99Å; I305-L311 HydrophobicContact CB-CG 3.99Å; I305-L311 HydrophobicContact CG1-CD2 4.5Å; I305-L311 HydrophobicContact CG1-CG 4.31Å; I305-L311 HydrophobicContact CG2-CD2 4.08Å; I305-L311 PolarHBondContact N-O 3.38Å; S306-L311 PolarHBondContact N-O 3.26Å; S306-L311 PolarHBondContact O-N 2.88Å; P309-L311 PolarHBondContact O-N 2.82Å |
| 312 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139 | -174.4 | -163 | 170.4 | 0 | 0 | 0 | 110.8 | V156 V157 L158 H302 V333 A336 | V156-I312 PolarHBondContact O-N 2.97Å; V157-I312 CarbonylContact C-O 3.6Å; V157-I312 WeakPolarHBondContact CA-O 3.46Å; V157-I312 HydrophobicContact CB-CG2 4.03Å; V157-I312 HydrophobicContact CG1-CG2 3.98Å; V157-I312 HydrophobicContact CG2-CG2 3.68Å; L158-I312 PolarHBondContact N-O 2.79Å; H302-I312 HydrophobicContact CB-CD1 4.15Å; H302-I312 HydrophobicContact CB-CG1 4.16Å; H302-I312 VanDerWaalsContact CD2-CD1 3.41Å; H302-I312 WeakPolarHBondContact CD2-CD1 3.45Å; I312-V333 HydrophobicContact CD1-CB 4.46Å; I312-V333 HydrophobicContact CD1-CG1 4.34Å; I312-V333 HydrophobicContact CD1-CG2 4.38Å; I312-V333 HydrophobicContact CG2-CG1 4.03Å; I312-A336 HydrophobicContact CD1-CB 3.45Å; I312-A336 VanDerWaalsContact CD1-CB 3.45Å |
| 313 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.1 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | L158 I165 H302 M303 F318 | L158-C313 CarbonylContact O-C 3.52Å; L158-C313 WeakPolarHBondContact O-CA 3.27Å; I165-C313 HydrophobicContact CD1-CB 4.15Å; H302-C313 CarbonylContact C-O 3.54Å; H302-C313 VanDerWaalsContact CA-O 3.22Å; H302-C313 WeakPolarHBondContact CA-O 3.43Å; H302-C313 WeakPolarHBondContact CB-O 3.26Å; M303-C313 PolarHBondContact N-O 3.44Å; M303-C313 PolarHBondContact O-N 2.87Å; C313-F318 HydrophobicContact CB-CE1 4.06Å; C313-F318 HydrophobicContact CB-CE2 3.89Å; C313-F318 HydrophobicContact CB-CZ 3.37Å |
| 314 | G | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | -176.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L158 T159 F318 | L158-G314 PolarHBondContact O-N 2.79Å; T159-G314 WeakPolarHBondContact CA-O 3.36Å; G314-F318 VanDerWaalsContact CA-CD2 3.5Å; G314-F318 WeakPolarHBondContact O-CE2 3.42Å |
| 315 | G | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 119 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A317 F318 S329 | G315-A317 PolarHBondContact O-N 2.82Å; G315-A317 VanDerWaalsContact O-N 3.14Å; G315-F318 PolarHBondContact O-N 3.28Å; G315-S329 PolarHBondContact N-OG 2.82Å; G315-S329 PolarHBondContact O-OG 3.33Å |
| 316 | D | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.032 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -61.2 | -23.5 | -176.7 | 67.5 | -34.3 | 0 | 0 | 0 | 114.4 | R42 V292 F318 T319 H320 S321 | R42-D316 IonicContact CZ-OD1 2.81Å; R42-D316 IonicContact CZ-OD2 3.67Å; R42-D316 VanDerWaalsContact CZ-OD2 3.28Å; R42-D316 IonicContact NH1-OD1 3.9Å; R42-D316 IonicContact NH1-OD2 3.16Å; R42-D316 PolarHBondContact NH1-OD2 3.38Å; R42-D316 IonicContact NH2-OD1 3.77Å; R42-D316 PolarHBondContact NH2-OD1 3.44Å; R42-D316 IonicContact NH2-OD2 2.74Å; R42-D316 PolarHBondContact NH2-OD2 2.97Å; V292-D316 HydrophobicContact CG2-CB 4.36Å; V292-D316 WeakPolarHBondContact CG2-OD2 3.49Å; D316-F318 PolarHBondContact O-N 3.4Å; D316-T319 CarbonylContact O-C 3.43Å; D316-T319 PolarHBondContact O-N 3.01Å; D316-T319 VanDerWaalsContact O-N 3.1Å; D316-H320 WeakPolarHBondContact O-CA 3.25Å; D316-H320 PolarHBondContact O-N 2.81Å; D316-S321 PolarHBondContact OD2-OG 3.1Å |
| 317 | A | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -62.3 | -23.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V162 V187 Y189 V292 S295 V296 G315 | V162-A317 HydrophobicContact CG2-CB 3.51Å; V187-A317 HydrophobicContact CG1-CB 3.96Å; Y189-A317 WeakPolarHBondContact OH-CB 3.5Å; V292-A317 HydrophobicContact CG2-CB 4.3Å; S295-A317 CarbonylContact C-O 3.59Å; S295-A317 VanDerWaalsContact CA-O 3.3Å; S295-A317 WeakPolarHBondContact CA-O 3.19Å; S295-A317 VanDerWaalsContact CB-O 3.24Å; S295-A317 WeakPolarHBondContact CB-O 3.44Å; V296-A317 PolarHBondContact N-O 3.3Å; G315-A317 PolarHBondContact O-N 2.82Å; G315-A317 VanDerWaalsContact O-N 3.14Å |
| 318 | F | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -95 | -2.2 | 179.7 | -57.9 | -87.2 | 0 | 0 | 0 | 111.8 | V162 L184 V296 C299 G301 M303 C313 G314 G315 D316 | V162-F318 HydrophobicContact CG2-CE2 4.07Å; V162-F318 HydrophobicContact CG2-CZ 4.05Å; L184-F318 HydrophobicContact CD2-CE1 3.94Å; L184-F318 HydrophobicContact CD2-CZ 3.88Å; V296-F318 HydrophobicContact CB-CD1 4.13Å; V296-F318 HydrophobicContact CG1-CD1 4.45Å; V296-F318 HydrophobicContact CG2-CD1 3.75Å; V296-F318 HydrophobicContact CG2-CE1 3.76Å; V296-F318 HydrophobicContact CG2-CG 4.46Å; V296-F318 HydrophobicContact CG2-CZ 4.47Å; C299-F318 VanDerWaalsContact SG-CD1 3.59Å; G301-F318 WeakPolarHBondContact CA-O 3.38Å; G301-F318 PolarHBondContact N-O 3.13Å; G301-F318 WeakPolarHBondContact O-CB 3.44Å; M303-F318 HydrophobicContact CB-CD1 4.12Å; M303-F318 HydrophobicContact CB-CE1 3.62Å; C313-F318 HydrophobicContact CB-CE1 4.06Å; C313-F318 HydrophobicContact CB-CE2 3.89Å; C313-F318 HydrophobicContact CB-CZ 3.37Å; G314-F318 VanDerWaalsContact CA-CD2 3.5Å; G314-F318 WeakPolarHBondContact O-CE2 3.42Å; G315-F318 PolarHBondContact O-N 3.28Å; D316-F318 PolarHBondContact O-N 3.4Å |
| 319 | T | 97.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 13.9 Ų | 13.9 | 14% | 0.135 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -140.4 | -102.1 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | D316 G325 E328 | D316-T319 CarbonylContact O-C 3.43Å; D316-T319 PolarHBondContact O-N 3.01Å; D316-T319 VanDerWaalsContact O-N 3.1Å; T319-G325 WeakPolarHBondContact CB-O 3.33Å; T319-G325 WeakPolarHBondContact OG1-CA 3.43Å; T319-G325 PolarHBondContact OG1-O 3.05Å; T319-E328 HydrophobicContact CG2-CB 4.01Å |
| 320 | H | 96.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 13.7 Ų | 13.7 | 26% | 0.264 | 7% | 0.074 | S | C | . | . | trans | -161.3 | 159.3 | 178.4 | 52.1 | -75.8 | 0 | 0 | 0 | 111.7 | Y69 D316 N322 E328 | Y69-H320 AromaticContact CE2-NE2 3.86Å; Y69-H320 AromaticContact CZ-CE1 3.91Å; Y69-H320 AromaticContact CZ-NE2 3.69Å; Y69-H320 PolarHBondContact OH-CE1 2.95Å; Y69-H320 PolarHBondContact OH-NE2 2.86Å; D316-H320 WeakPolarHBondContact O-CA 3.25Å; D316-H320 PolarHBondContact O-N 2.81Å; H320-N322 PolarHBondContact CD2-ND2 3.22Å; H320-N322 PolarHBondContact CD2-OD1 2.94Å; H320-N322 PolarHBondContact NE2-ND2 3.2Å; H320-N322 PolarHBondContact NE2-OD1 3.31Å; H320-N322 VanDerWaalsContact NE2-OD1 3.1Å; H320-N322 PolarHBondContact O-N 3.09Å; H320-E328 IonicContact CE1-OE2 3.47Å; H320-E328 PolarHBondContact CE1-OE2 3.18Å; H320-E328 VanDerWaalsContact CE1-OE2 3.31Å; H320-E328 IonicContact ND1-OE2 3.25Å | ||
| 321 | S | 97 | Very high | 98.2 | Very high | 32 Ų | 32 | 16.7 Ų | 16.7 | 22% | 0.224 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -84.3 | 68.3 | -171.6 | -58.6 | 0 | 0 | 0 | 0 | 115.2 | Q291 V292 D316 | Q291-S321 WeakPolarHBondContact CA-OG 3.05Å; V292-S321 WeakPolarHBondContact CB-OG 3.15Å; V292-S321 WeakPolarHBondContact CG2-OG 3.47Å; V292-S321 PolarHBondContact N-OG 2.75Å; D316-S321 PolarHBondContact OD2-OG 3.1Å |
| 322 | N | 97.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 17.6 Ų | 17.6 | 32% | 0.321 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -142.2 | -175.7 | 164.9 | 65.9 | 9 | 0 | 0 | 0 | 110.2 | H320 D324 G325 C326 | H320-N322 PolarHBondContact CD2-ND2 3.22Å; H320-N322 PolarHBondContact CD2-OD1 2.94Å; H320-N322 PolarHBondContact NE2-ND2 3.2Å; H320-N322 PolarHBondContact NE2-OD1 3.31Å; H320-N322 VanDerWaalsContact NE2-OD1 3.1Å; H320-N322 PolarHBondContact O-N 3.09Å; N322-D324 PolarHBondContact OD1-N 3.31Å; N322-G325 PolarHBondContact OD1-N 3.5Å; N322-C326 PolarHBondContact O-N 3.25Å; N322-C326 PolarHBondContact O-SG 2.85Å |
| 323 | F | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | 177 | 173.5 | -97.9 | 0 | 0 | 0 | 111.8 | L11 I63 F76 Y77 L80 V114 G325 C326 V327 | L11-F323 HydrophobicContact CD1-CD2 4.23Å; L11-F323 HydrophobicContact CD1-CE2 4.09Å; L11-F323 HydrophobicContact CD2-CB 4.36Å; L11-F323 HydrophobicContact CD2-CD2 3.49Å; L11-F323 VanDerWaalsContact CD2-CD2 3.49Å; L11-F323 HydrophobicContact CD2-CE2 4.14Å; L11-F323 HydrophobicContact CD2-CG 4.23Å; I63-F323 HydrophobicContact CB-CB 4.48Å; I63-F323 HydrophobicContact CD1-CB 4.19Å; I63-F323 HydrophobicContact CD1-CD2 3.77Å; I63-F323 HydrophobicContact CD1-CE2 4.37Å; I63-F323 HydrophobicContact CD1-CG 4.01Å; I63-F323 HydrophobicContact CG1-CB 4.19Å; I63-F323 HydrophobicContact CG2-CB 3.61Å; I63-F323 HydrophobicContact CG2-CD1 4.03Å; I63-F323 HydrophobicContact CG2-CG 3.86Å; F76-F323 HydrophobicContact CB-CZ 4.4Å; Y77-F323 HydrophobicContact CE1-CD1 4.35Å; Y77-F323 HydrophobicContact CE1-CE1 4.27Å; Y77-F323 HydrophobicContact CE2-CE1 4.28Å; Y77-F323 AromaticContact CZ-CD1 3.9Å; Y77-F323 AromaticContact CZ-CE1 3.95Å; L80-F323 HydrophobicContact CD1-CE2 3.85Å; L80-F323 HydrophobicContact CD1-CZ 3.66Å; V114-F323 HydrophobicContact CG1-CE2 4.19Å; F323-G325 PolarHBondContact O-N 2.88Å; F323-C326 WeakPolarHBondContact O-CB 3.33Å; F323-C326 PolarHBondContact O-N 3.48Å; F323-C326 VanDerWaalsContact O-N 3.09Å; F323-V327 HydrophobicContact CD1-CG2 4.08Å; F323-V327 HydrophobicContact CE1-CG2 3.65Å; F323-V327 HydrophobicContact CE2-CG2 4.28Å; F323-V327 HydrophobicContact CZ-CG2 3.75Å; F323-V327 WeakPolarHBondContact O-CG2 3.15Å; F323-V327 PolarHBondContact O-N 2.92Å |
| 324 | D | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | -174.3 | -64.2 | -70.4 | 0 | 0 | 0 | 113.4 | Y69 H73 Y77 N322 C326 V327 E328 | Y69-D324 WeakPolarHBondContact CB-OD1 3.36Å; Y69-D324 HydrophobicContact CD1-CB 3.73Å; Y69-D324 HydrophobicContact CD2-CB 3.45Å; Y69-D324 VanDerWaalsContact CD2-CB 3.45Å; Y69-D324 VanDerWaalsContact CD2-CG 3.43Å; Y69-D324 WeakPolarHBondContact CD2-OD2 3.34Å; Y69-D324 HydrophobicContact CE1-CB 3.89Å; Y69-D324 HydrophobicContact CE2-CB 3.59Å; Y69-D324 HydrophobicContact CG-CB 3.55Å; H73-D324 IonicContact CE1-OD1 3.35Å; H73-D324 IonicContact CG-OD1 2.73Å; H73-D324 IonicContact ND1-OD1 3.78Å; H73-D324 PolarHBondContact ND1-OD1 2.82Å; Y77-D324 WeakPolarHBondContact CE2-OD1 3.11Å; Y77-D324 VanDerWaalsContact OH-CG 3.26Å; Y77-D324 PolarHBondContact OH-OD1 3.21Å; Y77-D324 PolarHBondContact OH-OD2 3.32Å; N322-D324 PolarHBondContact OD1-N 3.31Å; D324-C326 VanDerWaalsContact C-N 3.26Å; D324-C326 PolarHBondContact O-N 3.26Å; D324-V327 CarbonylContact O-C 3.46Å; D324-V327 WeakPolarHBondContact O-CA 3.48Å; D324-V327 WeakPolarHBondContact O-CB 3.28Å; D324-V327 PolarHBondContact O-N 3.16Å; D324-E328 WeakPolarHBondContact O-CG 3.34Å; D324-E328 PolarHBondContact O-N 2.92Å |
| 325 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | T319 N322 F323 S329 | T319-G325 WeakPolarHBondContact CB-O 3.33Å; T319-G325 WeakPolarHBondContact OG1-CA 3.43Å; T319-G325 PolarHBondContact OG1-O 3.05Å; N322-G325 PolarHBondContact OD1-N 3.5Å; F323-G325 PolarHBondContact O-N 2.88Å; G325-S329 WeakPolarHBondContact O-CB 3.43Å; G325-S329 PolarHBondContact O-N 3.06Å |
| 326 | C | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 172.3 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | L11 T12 N322 F323 D324 A330 | L11-C326 HydrophobicContact CB-CB 4.21Å; L11-C326 HydrophobicContact CD2-CB 3.45Å; L11-C326 VanDerWaalsContact CD2-CB 3.45Å; L11-C326 HydrophobicContact CG-CB 3.73Å; T12-C326 WeakPolarHBondContact OG1-CB 3.29Å; N322-C326 PolarHBondContact O-N 3.25Å; N322-C326 PolarHBondContact O-SG 2.85Å; F323-C326 WeakPolarHBondContact O-CB 3.33Å; F323-C326 PolarHBondContact O-N 3.48Å; F323-C326 VanDerWaalsContact O-N 3.09Å; D324-C326 VanDerWaalsContact C-N 3.26Å; D324-C326 PolarHBondContact O-N 3.26Å; C326-A330 WeakPolarHBondContact O-CB 3.3Å; C326-A330 PolarHBondContact O-N 2.66Å |
| 327 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 174.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L15 F76 F323 D324 S329 A330 L331 | L15-V327 HydrophobicContact CD2-CB 4.14Å; L15-V327 HydrophobicContact CD2-CG1 4.31Å; L15-V327 HydrophobicContact CD2-CG2 3.76Å; F76-V327 HydrophobicContact CD2-CG1 3.53Å; F76-V327 HydrophobicContact CE2-CG1 3.35Å; F76-V327 HydrophobicContact CG-CG1 4.24Å; F76-V327 HydrophobicContact CZ-CG1 3.95Å; F323-V327 HydrophobicContact CD1-CG2 4.08Å; F323-V327 HydrophobicContact CE1-CG2 3.65Å; F323-V327 HydrophobicContact CE2-CG2 4.28Å; F323-V327 HydrophobicContact CZ-CG2 3.75Å; F323-V327 WeakPolarHBondContact O-CG2 3.15Å; F323-V327 PolarHBondContact O-N 2.92Å; D324-V327 CarbonylContact O-C 3.46Å; D324-V327 WeakPolarHBondContact O-CA 3.48Å; D324-V327 WeakPolarHBondContact O-CB 3.28Å; D324-V327 PolarHBondContact O-N 3.16Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 2.76Å; V327-A330 PolarHBondContact O-N 2.74Å; V327-L331 HydrophobicContact CG1-CD1 3.96Å; V327-L331 HydrophobicContact CG1-CG 4.44Å; V327-L331 WeakPolarHBondContact O-CG 3.32Å; V327-L331 PolarHBondContact O-N 3.19Å |
| 328 | E | 98.5 | Very high | 97 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 30% | 0.304 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56.6 | -46.7 | 176.6 | -73.3 | 179 | 153.3 | 0 | 0 | 111.6 | Y69 T319 H320 D324 A330 L331 S332 | Y69-E328 WeakPolarHBondContact CE1-OE1 3.3Å; T319-E328 HydrophobicContact CG2-CB 4.01Å; H320-E328 IonicContact CE1-OE2 3.47Å; H320-E328 PolarHBondContact CE1-OE2 3.18Å; H320-E328 VanDerWaalsContact CE1-OE2 3.31Å; H320-E328 IonicContact ND1-OE2 3.25Å; D324-E328 WeakPolarHBondContact O-CG 3.34Å; D324-E328 PolarHBondContact O-N 2.92Å; E328-A330 PolarHBondContact O-N 2.86Å; E328-L331 PolarHBondContact O-N 3.38Å; E328-S332 VanDerWaalsContact O-CB 3.31Å; E328-S332 WeakPolarHBondContact O-CB 3.5Å; E328-S332 PolarHBondContact O-N 3.47Å |
| 329 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.6 | -177 | 0 | 0 | 0 | 0 | 111.9 | G301 G315 G325 V327 S332 V333 | G301-S329 WeakPolarHBondContact O-CA 3.37Å; G301-S329 VanDerWaalsContact O-CB 3.31Å; G301-S329 WeakPolarHBondContact O-CB 3.4Å; G301-S329 PolarHBondContact O-OG 3.47Å; G315-S329 PolarHBondContact N-OG 2.82Å; G315-S329 PolarHBondContact O-OG 3.33Å; G325-S329 WeakPolarHBondContact O-CB 3.43Å; G325-S329 PolarHBondContact O-N 3.06Å; V327-S329 VanDerWaalsContact C-N 3.33Å; V327-S329 PolarHBondContact O-N 2.76Å; S329-S332 WeakPolarHBondContact O-CB 3.36Å; S329-S332 PolarHBondContact O-N 2.64Å; S329-V333 WeakPolarHBondContact O-CG2 3.39Å; S329-V333 PolarHBondContact O-N 3.11Å |
| 330 | A | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | T12 L15 C16 L19 C326 V327 E328 S332 C334 | T12-A330 HydrophobicContact CG2-CB 4.16Å; L15-A330 HydrophobicContact CB-CB 3.98Å; L15-A330 HydrophobicContact CD2-CB 3.82Å; L15-A330 HydrophobicContact CG-CB 3.79Å; C16-A330 VanDerWaalsContact SG-CA 3.54Å; L19-A330 HydrophobicContact CD1-CB 4.28Å; C326-A330 WeakPolarHBondContact O-CB 3.3Å; C326-A330 PolarHBondContact O-N 2.66Å; V327-A330 PolarHBondContact O-N 2.74Å; E328-A330 PolarHBondContact O-N 2.86Å; A330-S332 VanDerWaalsContact C-N 3.32Å; A330-S332 PolarHBondContact O-N 2.77Å; A330-C334 VanDerWaalsContact O-CB 3.23Å; A330-C334 WeakPolarHBondContact O-CB 3.19Å; A330-C334 PolarHBondContact O-N 3.26Å |
| 331 | L | 98.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 30 Ų | 30 | 37% | 0.372 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 173.4 | -74.5 | 168.7 | 0 | 0 | 0 | 111.3 | L19 F76 V327 E328 C334 K335 | L19-L331 HydrophobicContact CD1-CD2 3.97Å; L19-L331 HydrophobicContact CD1-CG 4.35Å; F76-L331 HydrophobicContact CE2-CD1 4.15Å; F76-L331 HydrophobicContact CE2-CD2 4.49Å; F76-L331 HydrophobicContact CZ-CD1 4.46Å; F76-L331 HydrophobicContact CZ-CD2 4.07Å; F76-L331 HydrophobicContact CZ-CG 4.37Å; V327-L331 HydrophobicContact CG1-CD1 3.96Å; V327-L331 HydrophobicContact CG1-CG 4.44Å; V327-L331 WeakPolarHBondContact O-CG 3.32Å; V327-L331 PolarHBondContact O-N 3.19Å; E328-L331 PolarHBondContact O-N 3.38Å; L331-C334 PolarHBondContact O-N 2.83Å; L331-K335 WeakPolarHBondContact O-CB 3.23Å; L331-K335 PolarHBondContact O-N 3.17Å |
| 332 | S | 98.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | -179.6 | -159.6 | 0 | 0 | 0 | 0 | 112.1 | P300 H302 E328 S329 A330 K335 A336 | P300-S332 VanDerWaalsContact O-CB 3.27Å; P300-S332 WeakPolarHBondContact O-CB 3.39Å; P300-S332 PolarHBondContact O-OG 2.87Å; H302-S332 PolarHBondContact ND1-O 2.87Å; H302-S332 PolarHBondContact ND1-OG 2.86Å; E328-S332 VanDerWaalsContact O-CB 3.31Å; E328-S332 WeakPolarHBondContact O-CB 3.5Å; E328-S332 PolarHBondContact O-N 3.47Å; S329-S332 WeakPolarHBondContact O-CB 3.36Å; S329-S332 PolarHBondContact O-N 2.64Å; A330-S332 VanDerWaalsContact C-N 3.32Å; A330-S332 PolarHBondContact O-N 2.77Å; S332-K335 PolarHBondContact O-N 2.89Å; S332-A336 PolarHBondContact O-N 3.41Å; S332-A336 VanDerWaalsContact O-N 3.14Å |
| 333 | V | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.9 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | V157 H302 I312 S329 K335 A336 L337 | V157-V333 HydrophobicContact CG1-CG1 3.65Å; V157-V333 HydrophobicContact CG2-CG1 4.21Å; H302-V333 HydrophobicContact CB-CG2 3.65Å; I312-V333 HydrophobicContact CD1-CB 4.46Å; I312-V333 HydrophobicContact CD1-CG1 4.34Å; I312-V333 HydrophobicContact CD1-CG2 4.38Å; I312-V333 HydrophobicContact CG2-CG1 4.03Å; S329-V333 WeakPolarHBondContact O-CG2 3.39Å; S329-V333 PolarHBondContact O-N 3.11Å; V333-K335 VanDerWaalsContact C-N 3.32Å; V333-K335 PolarHBondContact O-N 3.13Å; V333-A336 PolarHBondContact O-N 2.67Å; V333-L337 PolarHBondContact O-N 2.82Å |
| 334 | C | 96.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | -178.1 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | L19 L20 A330 L331 L337 Q338 | L19-C334 HydrophobicContact CB-CB 4.19Å; L19-C334 HydrophobicContact CD1-CB 4.41Å; L20-C334 HydrophobicContact CD2-CB 4.47Å; A330-C334 VanDerWaalsContact O-CB 3.23Å; A330-C334 WeakPolarHBondContact O-CB 3.19Å; A330-C334 PolarHBondContact O-N 3.26Å; L331-C334 PolarHBondContact O-N 2.83Å; C334-L337 PolarHBondContact O-N 3.18Å; C334-Q338 VanDerWaalsContact O-CG 3.24Å; C334-Q338 WeakPolarHBondContact O-CG 3.22Å; C334-Q338 PolarHBondContact O-N 2.7Å; C334-Q338 PolarHBondContact SG-NE2 3Å |
| 335 | K | 95.3 | Very high | 88 | Confident | 139 Ų | 139 | 40.1 Ų | 40.1 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.6 | -45.2 | 176.5 | -177 | 176.1 | 179.4 | 179.2 | 0 | 112.1 | L331 S332 V333 L337 Q338 L339 | L331-K335 WeakPolarHBondContact O-CB 3.23Å; L331-K335 PolarHBondContact O-N 3.17Å; S332-K335 PolarHBondContact O-N 2.89Å; V333-K335 VanDerWaalsContact C-N 3.32Å; V333-K335 PolarHBondContact O-N 3.13Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 3.27Å; K335-Q338 PolarHBondContact O-N 3.43Å; K335-L339 HydrophobicContact CG-CD1 4.3Å; K335-L339 WeakPolarHBondContact O-CG 3.43Å; K335-L339 PolarHBondContact O-N 3.08Å; K335-L339 VanDerWaalsContact O-N 3.14Å |
| 336 | A | 94.3 | Very high | 85.6 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I312 S332 V333 S340 | I312-A336 HydrophobicContact CD1-CB 3.45Å; I312-A336 VanDerWaalsContact CD1-CB 3.45Å; S332-A336 PolarHBondContact O-N 3.41Å; S332-A336 VanDerWaalsContact O-N 3.14Å; V333-A336 PolarHBondContact O-N 2.67Å; A336-S340 PolarHBondContact O-N 2.9Å; A336-S340 VanDerWaalsContact O-N 3.15Å |
| 337 | L | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 178.4 | -164.9 | 148.3 | 0 | 0 | 0 | 112.2 | V4 L20 L24 V157 L310 V333 C334 K335 S340 L341 | V4-L337 HydrophobicContact CG1-CD1 3.85Å; L20-L337 HydrophobicContact CD1-CD1 4.05Å; L20-L337 HydrophobicContact CD2-CB 4.2Å; L20-L337 HydrophobicContact CD2-CD1 4.38Å; L20-L337 HydrophobicContact CD2-CD2 3.69Å; L20-L337 HydrophobicContact CD2-CG 4.29Å; L24-L337 HydrophobicContact CD1-CD2 4.03Å; V157-L337 HydrophobicContact CG2-CD1 3.91Å; L310-L337 HydrophobicContact CD2-CB 4.02Å; L310-L337 HydrophobicContact CD2-CD1 4.01Å; L310-L337 HydrophobicContact CD2-CG 3.64Å; V333-L337 PolarHBondContact O-N 2.82Å; C334-L337 PolarHBondContact O-N 3.18Å; K335-L337 VanDerWaalsContact C-N 3.34Å; K335-L337 PolarHBondContact O-N 3.27Å; L337-S340 PolarHBondContact O-N 2.77Å; L337-L341 HydrophobicContact CD2-CD1 3.41Å; L337-L341 VanDerWaalsContact CD2-CD1 3.41Å; L337-L341 HydrophobicContact CD2-CG 3.97Å; L337-L341 WeakPolarHBondContact O-CG 3.38Å; L337-L341 PolarHBondContact O-N 2.87Å |
| 338 | Q | 87.9 | Confident | 80.9 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 175.5 | -73.9 | 163.3 | 8.9 | 0 | 0 | 111.9 | V23 C334 K335 S340 L341 D342 | V23-Q338 HydrophobicContact CB-CG 4.34Å; V23-Q338 VanDerWaalsContact CG1-CD 3.5Å; V23-Q338 HydrophobicContact CG1-CG 3.76Å; V23-Q338 VanDerWaalsContact CG1-NE2 3.28Å; C334-Q338 VanDerWaalsContact O-CG 3.24Å; C334-Q338 WeakPolarHBondContact O-CG 3.22Å; C334-Q338 PolarHBondContact O-N 2.7Å; C334-Q338 PolarHBondContact SG-NE2 3Å; K335-Q338 PolarHBondContact O-N 3.43Å; Q338-S340 VanDerWaalsContact C-N 3.26Å; Q338-S340 PolarHBondContact O-N 3.45Å; Q338-L341 PolarHBondContact O-N 2.83Å; Q338-L341 VanDerWaalsContact O-N 3.16Å; Q338-D342 PolarHBondContact O-N 2.87Å |
| 339 | L | 86.3 | Confident | 78 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 55% | 0.55 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 178.2 | -70.1 | 170.6 | 0 | 0 | 0 | 111.8 | K335 V343 | K335-L339 HydrophobicContact CG-CD1 4.3Å; K335-L339 WeakPolarHBondContact O-CG 3.43Å; K335-L339 PolarHBondContact O-N 3.08Å; K335-L339 VanDerWaalsContact O-N 3.14Å; L339-V343 VanDerWaalsContact O-CG2 3.22Å; L339-V343 WeakPolarHBondContact O-CG2 3.4Å; L339-V343 PolarHBondContact O-N 3.35Å; L339-V343 VanDerWaalsContact O-N 3.14Å |
| 340 | S | 83.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | A336 L337 Q338 V343 Q344 | A336-S340 PolarHBondContact O-N 2.9Å; A336-S340 VanDerWaalsContact O-N 3.15Å; L337-S340 PolarHBondContact O-N 2.77Å; Q338-S340 VanDerWaalsContact C-N 3.26Å; Q338-S340 PolarHBondContact O-N 3.45Å; S340-V343 PolarHBondContact O-N 2.73Å; S340-Q344 WeakPolarHBondContact O-CG 3.31Å; S340-Q344 PolarHBondContact O-N 2.83Å; S340-Q344 VanDerWaalsContact O-N 3.14Å |
| 341 | L | 75 | Confident | 75.8 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 179.1 | -71.7 | 178.5 | 0 | 0 | 0 | 113 | L24 L337 Q338 Q344 Q345 | L24-L341 HydrophobicContact CD1-CD1 3.67Å; L24-L341 HydrophobicContact CD2-CD1 3.49Å; L24-L341 VanDerWaalsContact CD2-CD1 3.49Å; L24-L341 HydrophobicContact CG-CD1 4.24Å; L337-L341 HydrophobicContact CD2-CD1 3.41Å; L337-L341 VanDerWaalsContact CD2-CD1 3.41Å; L337-L341 HydrophobicContact CD2-CG 3.97Å; L337-L341 WeakPolarHBondContact O-CG 3.38Å; L337-L341 PolarHBondContact O-N 2.87Å; Q338-L341 PolarHBondContact O-N 2.83Å; Q338-L341 VanDerWaalsContact O-N 3.16Å; L341-Q344 PolarHBondContact O-N 2.54Å; L341-Q345 PolarHBondContact O-N 3.36Å; L341-Q345 VanDerWaalsContact O-N 3.13Å |
| 342 | D | 71.6 | Confident | 74.5 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 176.9 | -70.8 | -19.1 | 0 | 0 | 0 | 111.3 | Q338 Q344 Q345 N346 | Q338-D342 PolarHBondContact O-N 2.87Å; D342-Q344 VanDerWaalsContact C-N 3.35Å; D342-Q344 PolarHBondContact O-N 3.18Å; D342-Q345 PolarHBondContact O-N 3.23Å; D342-N346 PolarHBondContact O-N 3.25Å; D342-N346 VanDerWaalsContact O-N 3.11Å; D342-N346 PolarHBondContact O-ND2 3.46Å |
| 343 | V | 60.8 | Low | 73.1 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.8 | 170 | 0 | 0 | 0 | 0 | 111.3 | L339 S340 Q345 N346 I347 | L339-V343 VanDerWaalsContact O-CG2 3.22Å; L339-V343 WeakPolarHBondContact O-CG2 3.4Å; L339-V343 PolarHBondContact O-N 3.35Å; L339-V343 VanDerWaalsContact O-N 3.14Å; S340-V343 PolarHBondContact O-N 2.73Å; V343-Q345 VanDerWaalsContact C-N 3.32Å; V343-Q345 PolarHBondContact O-N 3.13Å; V343-N346 PolarHBondContact O-N 2.79Å; V343-I347 HydrophobicContact CG1-CD1 3.63Å; V343-I347 HydrophobicContact CG1-CG1 4.42Å; V343-I347 WeakPolarHBondContact O-CG1 3.41Å; V343-I347 PolarHBondContact O-N 3.34Å; V343-I347 VanDerWaalsContact O-N 3.12Å |
| 344 | Q | 59.1 | Low | 71.6 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 176.9 | -74.3 | -178.5 | -13 | 0 | 0 | 112.9 | S340 L341 D342 C348 | S340-Q344 WeakPolarHBondContact O-CG 3.31Å; S340-Q344 PolarHBondContact O-N 2.83Å; S340-Q344 VanDerWaalsContact O-N 3.14Å; L341-Q344 PolarHBondContact O-N 2.54Å; D342-Q344 VanDerWaalsContact C-N 3.35Å; D342-Q344 PolarHBondContact O-N 3.18Å; Q344-C348 PolarHBondContact O-N 3.38Å; Q344-C348 PolarHBondContact O-SG 3.5Å |
| 345 | Q | 58.3 | Low | 69.9 | Low | 93 Ų | 93 | 80.9 Ų | 80.9 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 175.1 | -74.1 | 177.3 | 14.3 | 0 | 0 | 112 | L341 D342 V343 C348 | L341-Q345 PolarHBondContact O-N 3.36Å; L341-Q345 VanDerWaalsContact O-N 3.13Å; D342-Q345 PolarHBondContact O-N 3.23Å; V343-Q345 VanDerWaalsContact C-N 3.32Å; V343-Q345 PolarHBondContact O-N 3.13Å; Q345-C348 PolarHBondContact O-N 3.46Å |
| 346 | N | 48.6 | Very low | 68.1 | Low | 116 Ų | 116 | 76.7 Ų | 76.7 | 62% | 0.62 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.9 | -22.2 | -179.7 | -70.1 | -23.3 | 0 | 0 | 0 | 114.1 | D342 V343 | D342-N346 PolarHBondContact O-N 3.25Å; D342-N346 VanDerWaalsContact O-N 3.11Å; D342-N346 PolarHBondContact O-ND2 3.46Å; V343-N346 PolarHBondContact O-N 2.79Å |
| 347 | I | 51.8 | Low | 66.1 | Low | 116 Ų | 116 | 81.3 Ų | 81.3 | 60% | 0.595 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -83.1 | -19.6 | 176 | -65.6 | 166.7 | 0 | 0 | 0 | 111.7 | V343 | V343-I347 HydrophobicContact CG1-CD1 3.63Å; V343-I347 HydrophobicContact CG1-CG1 4.42Å; V343-I347 WeakPolarHBondContact O-CG1 3.41Å; V343-I347 PolarHBondContact O-N 3.34Å; V343-I347 VanDerWaalsContact O-N 3.12Å |
| 348 | C | 46.4 | Very low | 63.9 | Low | 114 Ų | 114 | 88.1 Ų | 88.1 | 77% | 0.77 | 48% | 0.475 | S | S | * | . | trans | -93.1 | 4.8 | 179.2 | -64 | 0 | 0 | 0 | 0 | 114.1 | Q344 Q345 | Q344-C348 PolarHBondContact O-N 3.38Å; Q344-C348 PolarHBondContact O-SG 3.5Å; Q345-C348 PolarHBondContact O-N 3.46Å | ||
| 349 | L | 37.8 | Very low | 61.7 | Low | 201 Ų | 201 | 91.9 Ų | 91.9 | 100% | 1.052 | 50% | 0.498 | S | S | * | . | trans | -109.5 | 0 | 172 | -71.1 | 169.8 | 0 | 0 | 0 | 109 |
Retrieved 349 of 349 residues in 421.3 ms
(Link to these results)