| 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 | 66.8 | Low | 94.2 | Very high | 176 Ų | 176 | 35.6 Ų | 35.6 | 87% | 0.867 | 18% | 0.181 | S | C | * | . | 0 | 129.8 | 0 | -171.6 | 174 | -86.5 | 0 | 0 | 105.2 | Q72 | M1-Q72 HydrophobicContact CG-CG 4.09Å; M1-Q72 HydrophobicContact SD-CG 3.9Å | |||
| 2 | E | 89.2 | Confident | 94 | Very high | 145 Ų | 145 | 33.8 Ų | 33.8 | 68% | 0.678 | 17% | 0.173 | S | C | * | . | trans | -68.4 | 139.1 | 175.9 | -70.3 | 178.4 | 163.9 | 0 | 0 | 109.1 | Y4 Q72 | E2-Y4 HydrophobicContact CB-CE2 4.25Å; E2-Y4 PolarHBondContact OE2-OH 2.79Å; E2-Q72 PolarHBondContact O-NE2 3.19Å | ||
| 3 | S | 96 | Very high | 93.6 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | trans | -121.3 | 155 | -177.8 | 53.8 | 0 | 0 | 0 | 0 | 111 | Q72 E74 Y452 | S3-Q72 CarbonylContact C-O 3.59Å; S3-Q72 VanDerWaalsContact CA-O 3.3Å; S3-Q72 WeakPolarHBondContact CA-O 3.42Å; S3-E74 WeakPolarHBondContact CB-OE1 3.18Å; S3-E74 PolarHBondContact OG-OE1 3.23Å; S3-Y452 WeakPolarHBondContact O-CE2 3.47Å; S3-Y452 PolarHBondContact O-OH 3.13Å | ||
| 4 | Y | 98.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 33 Ų | 33 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 161.1 | -168.6 | -52.6 | -81.2 | 0 | 0 | 0 | 111.9 | E2 V19 F20 D21 V27 L68 Q72 I73 E74 | E2-Y4 HydrophobicContact CB-CE2 4.25Å; E2-Y4 PolarHBondContact OE2-OH 2.79Å; Y4-V19 HydrophobicContact CD1-CG1 4.21Å; Y4-V19 HydrophobicContact CG-CG1 3.83Å; Y4-F20 WeakPolarHBondContact CA-O 3.32Å; Y4-F20 WeakPolarHBondContact CB-O 3.47Å; Y4-D21 HydrophobicContact CD1-CB 4.24Å; Y4-D21 HydrophobicContact CE1-CB 4.27Å; Y4-V27 HydrophobicContact CD1-CG2 3.87Å; Y4-V27 HydrophobicContact CE1-CB 4.49Å; Y4-V27 HydrophobicContact CE1-CG1 4.23Å; Y4-V27 HydrophobicContact CE1-CG2 3.75Å; Y4-L68 HydrophobicContact CD2-CD1 4.09Å; Y4-L68 HydrophobicContact CD2-CD2 4.12Å; Y4-L68 HydrophobicContact CE2-CD1 4.3Å; Y4-L68 HydrophobicContact CE2-CD2 3.52Å; Y4-L68 HydrophobicContact CE2-CG 4.49Å; Y4-L68 HydrophobicContact CG-CD1 4.37Å; Y4-Q72 HydrophobicContact CD2-CB 3.92Å; Y4-Q72 HydrophobicContact CE2-CB 4.2Å; Y4-Q72 PolarHBondContact N-O 3.22Å; Y4-I73 CarbonylContact O-C 3.4Å; Y4-I73 WeakPolarHBondContact O-CA 3.36Å; Y4-E74 PolarHBondContact O-N 3.27Å |
| 5 | I | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.3 | 168.3 | -64.2 | -63.2 | 0 | 0 | 0 | 108.9 | V19 F20 E74 A443 A446 V450 Y452 W453 | I5-V19 CarbonylContact O-C 3.54Å; I5-V19 WeakPolarHBondContact O-CA 3.32Å; I5-F20 PolarHBondContact N-O 3Å; I5-F20 PolarHBondContact O-N 3.29Å; I5-E74 HydrophobicContact CD1-CB 4.27Å; I5-A443 HydrophobicContact CG2-CB 3.83Å; I5-A446 HydrophobicContact CG2-CB 4.2Å; I5-V450 HydrophobicContact CD1-CG2 4.02Å; I5-Y452 HydrophobicContact CD1-CD1 4.31Å; I5-Y452 HydrophobicContact CD1-CD2 4.25Å; I5-Y452 HydrophobicContact CD1-CG 3.96Å; I5-Y452 HydrophobicContact CG1-CD1 3.55Å; I5-Y452 HydrophobicContact CG1-CD2 4.17Å; I5-Y452 HydrophobicContact CG1-CE1 3.85Å; I5-Y452 HydrophobicContact CG1-CE2 4.43Å; I5-Y452 HydrophobicContact CG1-CG 3.71Å; I5-W453 HydrophobicContact CG1-CH2 4.41Å; I5-W453 HydrophobicContact CG1-CZ3 4.3Å |
| 6 | M | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.8 | 173 | -179.5 | 178.2 | -73.6 | 0 | 0 | 109.8 | I18 V19 I59 L63 I73 G75 I76 G77 F231 | M6-I18 CarbonylContact C-O 3.5Å; M6-I18 WeakPolarHBondContact CA-O 3.5Å; M6-V19 HydrophobicContact CB-CG2 4.48Å; M6-V19 HydrophobicContact CE-CG2 3.92Å; M6-V19 HydrophobicContact CG-CG2 4.43Å; M6-I59 HydrophobicContact CE-CG2 4.23Å; M6-I59 HydrophobicContact SD-CG1 4.14Å; M6-I59 HydrophobicContact SD-CG2 4.04Å; M6-L63 HydrophobicContact CE-CD1 4.4Å; M6-L63 HydrophobicContact CE-CD2 3.74Å; M6-L63 HydrophobicContact CE-CG 3.87Å; M6-I73 HydrophobicContact CB-CD1 4.45Å; M6-I73 HydrophobicContact CB-CG2 3.78Å; M6-I73 HydrophobicContact CE-CD1 4.26Å; M6-I73 HydrophobicContact CE-CG1 4.29Å; M6-G75 PolarHBondContact N-O 3.17Å; M6-I76 HydrophobicContact CB-CG1 4.36Å; M6-I76 CarbonylContact O-C 3.58Å; M6-I76 VanDerWaalsContact O-CA 3.27Å; M6-I76 WeakPolarHBondContact O-CA 3.45Å; M6-G77 PolarHBondContact O-N 3.12Å; M6-F231 HydrophobicContact CE-CZ 4.09Å; M6-F231 HydrophobicContact SD-CE2 4.06Å; M6-F231 HydrophobicContact SD-CZ 4.08Å |
| 7 | S | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.1 | 165.8 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | A17 I18 F20 G77 A439 | S7-A17 CarbonylContact O-C 3.39Å; S7-A17 VanDerWaalsContact O-CA 3.25Å; S7-A17 WeakPolarHBondContact O-CA 3.42Å; S7-I18 PolarHBondContact N-O 3.27Å; S7-I18 PolarHBondContact O-N 2.87Å; S7-I18 WeakPolarHBondContact OG-CB 3.02Å; S7-I18 PolarHBondContact OG-O 2.77Å; S7-F20 WeakPolarHBondContact OG-CE2 3.2Å; S7-G77 CarbonylContact C-O 3.6Å; S7-G77 WeakPolarHBondContact CA-O 3.42Å; S7-A439 VanDerWaalsContact CB-O 3.25Å; S7-A439 WeakPolarHBondContact CB-O 3.44Å |
| 8 | I | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118 | 168.4 | -61.7 | 167.1 | 0 | 0 | 0 | 107.1 | R16 V55 I59 I76 G77 I78 T79 L168 L172 | I8-R16 WeakPolarHBondContact CA-O 3.19Å; I8-V55 HydrophobicContact CD1-CG1 4.34Å; I8-V55 HydrophobicContact CG2-CG1 3.83Å; I8-V55 HydrophobicContact CG2-CG2 4.26Å; I8-I59 HydrophobicContact CD1-CD1 3.67Å; I8-I59 HydrophobicContact CD1-CG1 4.09Å; I8-I59 HydrophobicContact CG1-CD1 4.36Å; I8-I59 HydrophobicContact CG1-CG1 4.23Å; I8-I76 HydrophobicContact CD1-CG2 3.76Å; I8-I76 HydrophobicContact CG1-CG2 4.26Å; I8-G77 PolarHBondContact N-O 2.99Å; I8-I78 HydrophobicContact CD1-CG1 4.47Å; I8-T79 WeakPolarHBondContact O-CG2 3.38Å; I8-T79 PolarHBondContact O-N 3.46Å; I8-T79 VanDerWaalsContact O-O 3.14Å; I8-L168 HydrophobicContact CG2-CD1 4.36Å; I8-L172 HydrophobicContact CD1-CD1 4.14Å |
| 9 | D | 98.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 102.4 | 175.6 | 175.5 | 19.1 | 0 | 0 | 0 | 109.8 | G11 S15 R16 T79 A439 | D9-G11 PolarHBondContact O-N 2.66Å; D9-S15 CarbonylContact O-C 3.29Å; D9-S15 WeakPolarHBondContact O-CA 3.45Å; D9-R16 HydrophobicContact CB-CB 4.28Å; D9-R16 PolarHBondContact N-O 2.63Å; D9-R16 PolarHBondContact O-N 3.39Å; D9-T79 WeakPolarHBondContact CA-O 3.48Å; D9-T79 HydrophobicContact CB-CG2 3.52Å; D9-A439 HydrophobicContact CB-CB 4.49Å |
| 10 | Q | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 86.3 | 175.9 | -158 | -74.6 | 60.2 | 0 | 0 | 109 | I51 V55 T79 N80 Q81 I164 L168 | Q10-I51 HydrophobicContact CG-CG2 3.8Å; Q10-V55 HydrophobicContact CG-CG2 4.17Å; Q10-T79 PolarHBondContact N-O 2.85Å; Q10-N80 HydrophobicContact CB-CB 4.4Å; Q10-N80 CarbonylContact O-C 3.58Å; Q10-N80 VanDerWaalsContact O-CA 3.31Å; Q10-N80 WeakPolarHBondContact O-CA 3.38Å; Q10-Q81 PolarHBondContact O-N 2.9Å; Q10-I164 HydrophobicContact CB-CG2 3.88Å; Q10-I164 HydrophobicContact CG-CG2 3.74Å; Q10-L168 HydrophobicContact CB-CD1 3.86Å; Q10-L168 HydrophobicContact CG-CD1 4.18Å |
| 11 | G | 94.8 | Very high | 95 | Very high | 14 Ų | 14 | 27.6 Ų | 27.6 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | trans | -82.5 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D9 T13 S14 F34 | D9-G11 PolarHBondContact O-N 2.66Å; G11-T13 VanDerWaalsContact C-N 3.31Å; G11-T13 PolarHBondContact O-N 2.92Å; G11-S14 WeakPolarHBondContact CA-O 3.22Å; G11-S14 PolarHBondContact N-O 3.44Å; G11-F34 WeakPolarHBondContact O-CE1 3.39Å; G11-F34 WeakPolarHBondContact O-CZ 3.32Å | ||
| 12 | T | 91.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -58.6 | -36 | -173.9 | -49.2 | 0 | 0 | 0 | 0 | 114.7 | F34 Q36 H46 V101 W102 | T12-F34 VanDerWaalsContact O-CE2 3.28Å; T12-F34 WeakPolarHBondContact O-CE2 3.36Å; T12-F34 WeakPolarHBondContact O-CZ 3.3Å; T12-Q36 PolarHBondContact O-NE2 3.16Å; T12-Q36 VanDerWaalsContact O-NE2 3.09Å; T12-Q36 PolarHBondContact O-OE1 3.29Å; T12-H46 PolarHBondContact O-CE1 2.85Å; T12-H46 PolarHBondContact O-NE2 2.97Å; T12-V101 HydrophobicContact CG2-CG1 4.16Å; T12-W102 HydrophobicContact CG2-CZ2 4.43Å; T12-W102 PolarHBondContact OG1-NE1 3.03Å |
| 13 | T | 89.1 | Confident | 96.4 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 29% | 0.288 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -111.9 | -12.5 | -175.3 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | G11 E33 F34 | G11-T13 VanDerWaalsContact C-N 3.31Å; G11-T13 PolarHBondContact O-N 2.92Å; T13-E33 WeakPolarHBondContact O-CA 3.49Å; T13-F34 PolarHBondContact O-N 2.9Å |
| 14 | S | 93.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 147.7 | -176.2 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | G11 Q31 K32 | G11-S14 WeakPolarHBondContact CA-O 3.22Å; G11-S14 PolarHBondContact N-O 3.44Å; S14-Q31 PolarHBondContact OG-NE2 3.41Å; S14-K32 CarbonylContact C-O 3.46Å; S14-K32 VanDerWaalsContact CA-O 3.23Å; S14-K32 WeakPolarHBondContact CA-O 3.32Å; S14-K32 WeakPolarHBondContact CB-O 3.25Å |
| 15 | S | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 149.6 | 166.9 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | D9 Q31 K32 S54 | D9-S15 CarbonylContact O-C 3.29Å; D9-S15 WeakPolarHBondContact O-CA 3.45Å; S15-Q31 WeakPolarHBondContact O-CA 3.35Å; S15-K32 PolarHBondContact N-O 3.08Å; S15-K32 PolarHBondContact O-N 3.31Å; S15-S54 WeakPolarHBondContact CB-OG 3.41Å; S15-S54 PolarHBondContact OG-OG 3.31Å |
| 16 | R | 98.1 | Very high | 95.8 | Very high | 68 Ų | 68 | 29.3 Ų | 29.3 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.1 | 174.3 | -66.8 | 173.6 | 179.4 | -169.9 | -12.3 | 110.5 | I8 D9 S30 Q31 | I8-R16 WeakPolarHBondContact CA-O 3.19Å; D9-R16 HydrophobicContact CB-CB 4.28Å; D9-R16 PolarHBondContact N-O 2.63Å; D9-R16 PolarHBondContact O-N 3.39Å; R16-S30 CarbonylContact C-O 3.58Å; R16-S30 WeakPolarHBondContact CA-O 3.44Å; R16-Q31 HydrophobicContact CG-CB 3.87Å; R16-Q31 HydrophobicContact CG-CG 3.66Å; R16-Q31 VanDerWaalsContact NE-NE2 3.15Å; R16-Q31 VanDerWaalsContact NH2-NE2 3.11Å |
| 17 | A | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S7 S29 S30 V58 I59 | S7-A17 CarbonylContact O-C 3.39Å; S7-A17 VanDerWaalsContact O-CA 3.25Å; S7-A17 WeakPolarHBondContact O-CA 3.42Å; A17-S29 CarbonylContact O-C 3.55Å; A17-S29 WeakPolarHBondContact O-CA 3.41Å; A17-S30 PolarHBondContact N-O 3.31Å; A17-S30 PolarHBondContact O-N 3.35Å; A17-V58 HydrophobicContact CB-CB 4.04Å; A17-V58 HydrophobicContact CB-CG2 3.88Å; A17-V58 WeakPolarHBondContact CB-O 3.5Å; A17-I59 HydrophobicContact CB-CG1 4.4Å |
| 18 | I | 98.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.2 | -178.9 | -47.8 | -173.3 | 0 | 0 | 0 | 107.9 | M6 S7 F20 E26 S28 Y434 E436 A439 | M6-I18 CarbonylContact C-O 3.5Å; M6-I18 WeakPolarHBondContact CA-O 3.5Å; S7-I18 PolarHBondContact N-O 3.27Å; S7-I18 PolarHBondContact O-N 2.87Å; S7-I18 WeakPolarHBondContact OG-CB 3.02Å; S7-I18 PolarHBondContact OG-O 2.77Å; I18-F20 HydrophobicContact CB-CE2 3.82Å; I18-F20 HydrophobicContact CB-CZ 3.99Å; I18-F20 HydrophobicContact CG2-CD2 4.27Å; I18-F20 HydrophobicContact CG2-CE1 3.95Å; I18-F20 HydrophobicContact CG2-CE2 3.65Å; I18-F20 HydrophobicContact CG2-CZ 3.45Å; I18-F20 VanDerWaalsContact CG2-CZ 3.45Å; I18-E26 HydrophobicContact CG2-CB 4.26Å; I18-E26 HydrophobicContact CG2-CG 3.72Å; I18-S28 WeakPolarHBondContact CA-O 3.49Å; I18-Y434 WeakPolarHBondContact CD1-OH 3.38Å; I18-E436 HydrophobicContact CD1-CB 4.2Å; I18-E436 HydrophobicContact CD1-CG 4.46Å; I18-A439 HydrophobicContact CD1-CB 3.64Å; I18-A439 HydrophobicContact CG1-CB 4.26Å |
| 19 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.7 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | Y4 I5 M6 V27 S28 L68 I73 | Y4-V19 HydrophobicContact CD1-CG1 4.21Å; Y4-V19 HydrophobicContact CG-CG1 3.83Å; I5-V19 CarbonylContact O-C 3.54Å; I5-V19 WeakPolarHBondContact O-CA 3.32Å; M6-V19 HydrophobicContact CB-CG2 4.48Å; M6-V19 HydrophobicContact CE-CG2 3.92Å; M6-V19 HydrophobicContact CG-CG2 4.43Å; V19-V27 PolarHBondContact O-N 2.93Å; V19-S28 PolarHBondContact N-O 3.11Å; V19-L68 HydrophobicContact CB-CD1 4.08Å; V19-L68 HydrophobicContact CG1-CD1 3.53Å; V19-L68 HydrophobicContact CG2-CD1 4.25Å; V19-I73 HydrophobicContact CG1-CD1 4.07Å; V19-I73 HydrophobicContact CG2-CD1 4.42Å |
| 20 | F | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 142.8 | -176.7 | -63 | -83.3 | 0 | 0 | 0 | 112.2 | Y4 I5 S7 I18 K25 E26 Y434 A439 L440 A443 | Y4-F20 WeakPolarHBondContact CA-O 3.32Å; Y4-F20 WeakPolarHBondContact CB-O 3.47Å; I5-F20 PolarHBondContact N-O 3Å; I5-F20 PolarHBondContact O-N 3.29Å; S7-F20 WeakPolarHBondContact OG-CE2 3.2Å; I18-F20 HydrophobicContact CB-CE2 3.82Å; I18-F20 HydrophobicContact CB-CZ 3.99Å; I18-F20 HydrophobicContact CG2-CD2 4.27Å; I18-F20 HydrophobicContact CG2-CE1 3.95Å; I18-F20 HydrophobicContact CG2-CE2 3.65Å; I18-F20 HydrophobicContact CG2-CZ 3.45Å; I18-F20 VanDerWaalsContact CG2-CZ 3.45Å; F20-K25 VanDerWaalsContact CA-O 3.3Å; F20-K25 WeakPolarHBondContact CA-O 2.98Å; F20-E26 HydrophobicContact CE1-CB 4.33Å; F20-Y434 AromaticContact CE1-CE1 3.83Å; F20-Y434 HydrophobicContact CE1-CE1 3.83Å; F20-Y434 AromaticContact CE1-CZ 3.98Å; F20-Y434 AromaticContact CZ-CE1 3.96Å; F20-Y434 HydrophobicContact CZ-CE1 3.96Å; F20-A439 HydrophobicContact CE2-CB 4.45Å; F20-A439 HydrophobicContact CZ-CB 4.39Å; F20-L440 HydrophobicContact CD1-CD1 4.05Å; F20-L440 HydrophobicContact CE1-CD1 3.9Å; F20-L440 HydrophobicContact CZ-CB 4.32Å; F20-L440 HydrophobicContact CZ-CD1 4.28Å; F20-A443 HydrophobicContact CD2-CB 3.51Å; F20-A443 HydrophobicContact CE2-CB 3.87Å; F20-A443 HydrophobicContact CG-CB 4.26Å |
| 21 | D | 95.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | trans | -86.3 | -179.9 | 171.6 | 73.4 | 12.5 | 0 | 0 | 0 | 113 | Y4 A23 G24 K25 V27 Y452 | Y4-D21 HydrophobicContact CD1-CB 4.24Å; Y4-D21 HydrophobicContact CE1-CB 4.27Å; D21-A23 PolarHBondContact O-N 2.73Å; D21-A23 VanDerWaalsContact OD1-CA 3.3Å; D21-A23 WeakPolarHBondContact OD1-CA 2.9Å; D21-A23 WeakPolarHBondContact OD1-CB 3.3Å; D21-A23 PolarHBondContact OD1-N 3.3Å; D21-G24 PolarHBondContact O-N 2.82Å; D21-G24 PolarHBondContact OD1-N 3.01Å; D21-G24 VanDerWaalsContact OD1-N 3.12Å; D21-K25 PolarHBondContact N-O 3.46Å; D21-K25 PolarHBondContact OD1-N 2.96Å; D21-V27 HydrophobicContact CB-CG2 3.8Å; D21-Y452 WeakPolarHBondContact CA-OH 3.47Å | ||
| 22 | K | 93.9 | Very high | 95.7 | Very high | 118 Ų | 118 | 42.8 Ų | 42.8 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.6 | -179.9 | -72.6 | -164.1 | 176.6 | -158.2 | 0 | 113.7 | G24 Y452 W453 F462 | K22-G24 VanDerWaalsContact C-N 3.31Å; K22-Y452 HydrophobicContact CB-CE1 4.28Å; K22-Y452 HydrophobicContact CD-CE2 4.38Å; K22-Y452 HydrophobicContact CG-CE1 3.73Å; K22-Y452 HydrophobicContact CG-CE2 3.74Å; K22-Y452 WeakPolarHBondContact CG-OH 3.47Å; K22-Y452 PolarHBondContact N-OH 3.04Å; K22-W453 PolarHBondContact O-NE1 2.74Å; K22-F462 WeakPolarHBondContact O-CZ 3.27Å |
| 23 | A | 91.1 | Very high | 95.8 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D21 K25 | D21-A23 PolarHBondContact O-N 2.73Å; D21-A23 VanDerWaalsContact OD1-CA 3.3Å; D21-A23 WeakPolarHBondContact OD1-CA 2.9Å; D21-A23 WeakPolarHBondContact OD1-CB 3.3Å; D21-A23 PolarHBondContact OD1-N 3.3Å; A23-K25 VanDerWaalsContact C-N 3.28Å; A23-K25 HydrophobicContact CB-CD 4.46Å; A23-K25 HydrophobicContact CB-CG 4.3Å; A23-K25 PolarHBondContact O-N 3.26Å |
| 24 | G | 89.7 | Confident | 96.2 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 72.4 | 19.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D21 K22 | D21-G24 PolarHBondContact O-N 2.82Å; D21-G24 PolarHBondContact OD1-N 3.01Å; D21-G24 VanDerWaalsContact OD1-N 3.12Å; K22-G24 VanDerWaalsContact C-N 3.31Å |
| 25 | K | 93.2 | Very high | 96.2 | Very high | 135 Ų | 135 | 50.4 Ų | 50.4 | 59% | 0.587 | 26% | 0.256 | S | S | * | . | trans | -93.1 | 140.7 | 179.7 | -62.9 | -179 | 178.1 | 179.4 | 0 | 111 | F20 D21 A23 V27 | F20-K25 VanDerWaalsContact CA-O 3.3Å; F20-K25 WeakPolarHBondContact CA-O 2.98Å; D21-K25 PolarHBondContact N-O 3.46Å; D21-K25 PolarHBondContact OD1-N 2.96Å; A23-K25 VanDerWaalsContact C-N 3.28Å; A23-K25 HydrophobicContact CB-CD 4.46Å; A23-K25 HydrophobicContact CB-CG 4.3Å; A23-K25 PolarHBondContact O-N 3.26Å; K25-V27 PolarHBondContact O-N 2.54Å | ||
| 26 | E | 95.8 | Very high | 96 | Very high | 82 Ų | 82 | 52.6 Ų | 52.6 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 120.4 | 170.2 | 176.7 | 176.1 | 157.8 | 0 | 0 | 110.2 | I18 F20 S29 Y434 | I18-E26 HydrophobicContact CG2-CB 4.26Å; I18-E26 HydrophobicContact CG2-CG 3.72Å; F20-E26 HydrophobicContact CE1-CB 4.33Å; E26-S29 WeakPolarHBondContact OE1-CB 3.18Å; E26-S29 PolarHBondContact OE1-OG 2.66Å; E26-Y434 HydrophobicContact CB-CE2 4.27Å; E26-Y434 VanDerWaalsContact OE2-CE2 3.3Å; E26-Y434 WeakPolarHBondContact OE2-CE2 2.96Å; E26-Y434 PolarHBondContact OE2-OH 2.97Å |
| 27 | V | 97.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 33% | 0.333 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -41.4 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | Y4 V19 D21 K25 L68 | Y4-V27 HydrophobicContact CD1-CG2 3.87Å; Y4-V27 HydrophobicContact CE1-CB 4.49Å; Y4-V27 HydrophobicContact CE1-CG1 4.23Å; Y4-V27 HydrophobicContact CE1-CG2 3.75Å; V19-V27 PolarHBondContact O-N 2.93Å; D21-V27 HydrophobicContact CB-CG2 3.8Å; K25-V27 PolarHBondContact O-N 2.54Å; V27-L68 HydrophobicContact CG1-CD1 4.28Å; V27-L68 HydrophobicContact CG1-CD2 4.48Å |
| 28 | S | 97.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 158.2 | 176.2 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | I18 V19 S62 | I18-S28 WeakPolarHBondContact CA-O 3.49Å; V19-S28 PolarHBondContact N-O 3.11Å; S28-S62 VanDerWaalsContact CB-O 3.28Å; S28-S62 WeakPolarHBondContact CB-O 3.4Å; S28-S62 PolarHBondContact OG-O 2.86Å |
| 29 | S | 97.7 | Very high | 95.4 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 167.5 | 173.8 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | A17 E26 | A17-S29 CarbonylContact O-C 3.55Å; A17-S29 WeakPolarHBondContact O-CA 3.41Å; E26-S29 WeakPolarHBondContact OE1-CB 3.18Å; E26-S29 PolarHBondContact OE1-OG 2.66Å |
| 30 | S | 98.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 145.3 | 167.9 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | R16 A17 V58 | R16-S30 CarbonylContact C-O 3.58Å; R16-S30 WeakPolarHBondContact CA-O 3.44Å; A17-S30 PolarHBondContact N-O 3.31Å; A17-S30 PolarHBondContact O-N 3.35Å; S30-V58 WeakPolarHBondContact CB-O 3.39Å |
| 31 | Q | 97.6 | Very high | 94.4 | Very high | 99 Ų | 99 | 73.9 Ų | 73.9 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.3 | -178.6 | -177.8 | 175.4 | 7.3 | 0 | 0 | 110.4 | S14 S15 R16 | S14-Q31 PolarHBondContact OG-NE2 3.41Å; S15-Q31 WeakPolarHBondContact O-CA 3.35Å; R16-Q31 HydrophobicContact CG-CB 3.87Å; R16-Q31 HydrophobicContact CG-CG 3.66Å; R16-Q31 VanDerWaalsContact NE-NE2 3.15Å; R16-Q31 VanDerWaalsContact NH2-NE2 3.11Å |
| 32 | K | 97.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 126.1 | 174.8 | -172 | 171.8 | 174.6 | 177.9 | 0 | 111.4 | S14 S15 S57 V58 | S14-K32 CarbonylContact C-O 3.46Å; S14-K32 VanDerWaalsContact CA-O 3.23Å; S14-K32 WeakPolarHBondContact CA-O 3.32Å; S14-K32 WeakPolarHBondContact CB-O 3.25Å; S15-K32 PolarHBondContact N-O 3.08Å; S15-K32 PolarHBondContact O-N 3.31Å; K32-S57 VanDerWaalsContact CD-CB 3.5Å; K32-S57 PolarHBondContact NZ-OG 2.92Å; K32-V58 HydrophobicContact CB-CG1 3.65Å |
| 33 | E | 94.6 | Very high | 93.9 | Very high | 150 Ų | 150 | 70.4 Ų | 70.4 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 157.3 | 171.5 | -65.9 | -176.8 | 165.2 | 0 | 0 | 111.5 | T13 | T13-E33 WeakPolarHBondContact O-CA 3.49Å |
| 34 | F | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | trans | -139.1 | 159.8 | 173 | 58.5 | -97.1 | 0 | 0 | 0 | 110.4 | G11 T12 T13 Q36 H46 E50 I51 | G11-F34 WeakPolarHBondContact O-CE1 3.39Å; G11-F34 WeakPolarHBondContact O-CZ 3.32Å; T12-F34 VanDerWaalsContact O-CE2 3.28Å; T12-F34 WeakPolarHBondContact O-CE2 3.36Å; T12-F34 WeakPolarHBondContact O-CZ 3.3Å; T13-F34 PolarHBondContact O-N 2.9Å; F34-Q36 PolarHBondContact O-NE2 2.99Å; F34-H46 HydrophobicContact CE2-CB 4.46Å; F34-H46 AromaticContact CE2-CD2 3.74Å; F34-H46 AromaticContact CE2-CE1 3.6Å; F34-H46 AromaticContact CE2-CG 3.72Å; F34-H46 AromaticContact CE2-ND1 3.61Å; F34-H46 AromaticContact CE2-NE2 3.69Å; F34-E50 WeakPolarHBondContact CA-OE1 3.41Å; F34-E50 HydrophobicContact CB-CG 4.03Å; F34-I51 HydrophobicContact CD2-CG1 4.29Å; F34-I51 HydrophobicContact CE2-CG1 4.1Å; F34-I51 HydrophobicContact CZ-CG1 4.25Å | ||
| 35 | T | 95.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | trans | -64.5 | 138.5 | -169.9 | -50.5 | 0 | 0 | 0 | 0 | 112 | E50 | T35-E50 WeakPolarHBondContact CB-OE1 3.39Å; T35-E50 VanDerWaalsContact CB-OE2 3.24Å; T35-E50 WeakPolarHBondContact CB-OE2 3.48Å; T35-E50 PolarHBondContact N-OE1 3.27Å; T35-E50 PolarHBondContact OG1-OE1 3.05Å; T35-E50 PolarHBondContact OG1-OE2 3.01Å | ||
| 36 | Q | 92.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -104.2 | 117.3 | 174 | -51.6 | -67 | -72.3 | 0 | 0 | 107.9 | T12 F34 F38 H46 | T12-Q36 PolarHBondContact O-NE2 3.16Å; T12-Q36 VanDerWaalsContact O-NE2 3.09Å; T12-Q36 PolarHBondContact O-OE1 3.29Å; F34-Q36 PolarHBondContact O-NE2 2.99Å; Q36-F38 HydrophobicContact CB-CE2 3.79Å; Q36-F38 HydrophobicContact CB-CZ 3.65Å; Q36-H46 PolarHBondContact NE2-NE2 2.88Å; Q36-H46 VanDerWaalsContact NE2-NE2 3.2Å; Q36-H46 PolarHBondContact OE1-NE2 3.03Å | ||
| 37 | H | 95 | Very high | 94.9 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -97.7 | 133 | -179.9 | -59 | -87.9 | 0 | 0 | 0 | 110.8 | V44 E45 | H37-V44 WeakPolarHBondContact O-CA 3.36Å; H37-E45 HydrophobicContact CB-CB 4.07Å; H37-E45 WeakPolarHBondContact CB-O 3.28Å; H37-E45 PolarHBondContact N-O 3.44Å; H37-E45 PolarHBondContact O-N 2.96Å |
| 38 | F | 92.9 | Very high | 95 | Very high | 135 Ų | 135 | 58 Ų | 58 | 59% | 0.592 | 31% | 0.307 | S | S | * | . | trans | -124.8 | 71.4 | 177.1 | -51.5 | -73.4 | 0 | 0 | 0 | 110.9 | Q36 K40 W43 V44 | Q36-F38 HydrophobicContact CB-CE2 3.79Å; Q36-F38 HydrophobicContact CB-CZ 3.65Å; F38-K40 VanDerWaalsContact C-N 3.25Å; F38-K40 PolarHBondContact O-N 3.19Å; F38-W43 WeakPolarHBondContact CA-O 3.37Å; F38-V44 HydrophobicContact CD1-CG1 4.49Å; F38-V44 HydrophobicContact CD1-CG2 4.13Å; F38-V44 HydrophobicContact CE1-CG1 4.08Å; F38-V44 HydrophobicContact CE1-CG2 4.1Å | ||
| 39 | P | 94.8 | Very high | 95 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 47% | 0.468 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -60 | -33.9 | -172.5 | -24.3 | 34.7 | 0 | 0 | 0 | 114 | W43 E45 | P39-W43 HydrophobicContact CB-CE3 4.44Å; P39-E45 HydrophobicContact CG-CG 4.39Å |
| 40 | K | 91.7 | Very high | 95.1 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -138 | 157.5 | 173 | -65 | -177 | -176.8 | 177.2 | 0 | 109.4 | F38 G42 W43 | F38-K40 VanDerWaalsContact C-N 3.25Å; F38-K40 PolarHBondContact O-N 3.19Å; K40-G42 PolarHBondContact O-N 3.12Å; K40-W43 HydrophobicContact CB-CB 4.31Å; K40-W43 HydrophobicContact CB-CD2 4.04Å; K40-W43 HydrophobicContact CB-CG 3.83Å; K40-W43 HydrophobicContact CD-CD2 4.23Å; K40-W43 HydrophobicContact CD-CH2 4.23Å; K40-W43 HydrophobicContact CD-CZ2 3.87Å; K40-W43 HydrophobicContact CG-CD2 4.35Å; K40-W43 WeakPolarHBondContact O-CB 3.23Å; K40-W43 PolarHBondContact O-N 2.97Å |
| 41 | P | 84.5 | Confident | 95.1 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 127.5 | 171.3 | -26.8 | 35.8 | 0 | 0 | 0 | 111.8 | W43 | P41-W43 VanDerWaalsContact C-N 3.28Å; P41-W43 PolarHBondContact O-N 2.72Å |
| 42 | G | 85.3 | Confident | 95.1 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -9.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K40 K105 | K40-G42 PolarHBondContact O-N 3.12Å; G42-K105 PolarHBondContact O-N 3.3Å |
| 43 | W | 93.8 | Very high | 95.2 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | trans | -89.3 | 135.7 | 173.9 | -67.5 | 30.5 | 0 | 0 | 0 | 109.4 | F38 P39 K40 P41 Q106 W142 | F38-W43 WeakPolarHBondContact CA-O 3.37Å; P39-W43 HydrophobicContact CB-CE3 4.44Å; K40-W43 HydrophobicContact CB-CB 4.31Å; K40-W43 HydrophobicContact CB-CD2 4.04Å; K40-W43 HydrophobicContact CB-CG 3.83Å; K40-W43 HydrophobicContact CD-CD2 4.23Å; K40-W43 HydrophobicContact CD-CH2 4.23Å; K40-W43 HydrophobicContact CD-CZ2 3.87Å; K40-W43 HydrophobicContact CG-CD2 4.35Å; K40-W43 WeakPolarHBondContact O-CB 3.23Å; K40-W43 PolarHBondContact O-N 2.97Å; P41-W43 VanDerWaalsContact C-N 3.28Å; P41-W43 PolarHBondContact O-N 2.72Å; W43-Q106 HydrophobicContact CD2-CB 3.53Å; W43-Q106 HydrophobicContact CE3-CB 4.12Å; W43-Q106 HydrophobicContact CG-CB 3.75Å; W43-Q106 HydrophobicContact CZ2-CB 3.93Å; W43-W142 HydrophobicContact CH2-CH2 4.14Å; W43-W142 AromaticContact CH2-CZ2 3.49Å; W43-W142 HydrophobicContact CH2-CZ2 3.49Å; W43-W142 VanDerWaalsContact CH2-CZ2 3.49Å; W43-W142 HydrophobicContact CZ2-CZ2 4.36Å; W43-W142 HydrophobicContact CZ3-CH2 4Å; W43-W142 AromaticContact CZ3-CZ2 3.81Å; W43-W142 HydrophobicContact CZ3-CZ2 3.81Å | ||
| 44 | V | 94.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | trans | -135.1 | 120.2 | 178.5 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | H37 F38 V101 Q103 S104 | H37-V44 WeakPolarHBondContact O-CA 3.36Å; F38-V44 HydrophobicContact CD1-CG1 4.49Å; F38-V44 HydrophobicContact CD1-CG2 4.13Å; F38-V44 HydrophobicContact CE1-CG1 4.08Å; F38-V44 HydrophobicContact CE1-CG2 4.1Å; V44-V101 HydrophobicContact CB-CB 4.05Å; V44-V101 HydrophobicContact CB-CG2 4.5Å; V44-V101 HydrophobicContact CG1-CB 3.82Å; V44-V101 HydrophobicContact CG1-CG1 4.1Å; V44-V101 HydrophobicContact CG1-CG2 3.97Å; V44-V101 WeakPolarHBondContact O-CB 3.35Å; V44-V101 WeakPolarHBondContact O-CG2 3.37Å; V44-V101 PolarHBondContact O-N 2.86Å; V44-Q103 HydrophobicContact CB-CB 4.11Å; V44-Q103 HydrophobicContact CG1-CB 4.35Å; V44-Q103 HydrophobicContact CG2-CB 3.81Å; V44-S104 PolarHBondContact N-OG 3.34Å; V44-S104 WeakPolarHBondContact O-CB 3.29Å | ||
| 45 | E | 98.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.5 | -175.4 | -75.4 | 176.2 | -156.2 | 0 | 0 | 111.3 | H37 P39 Y97 N98 A99 | H37-E45 HydrophobicContact CB-CB 4.07Å; H37-E45 WeakPolarHBondContact CB-O 3.28Å; H37-E45 PolarHBondContact N-O 3.44Å; H37-E45 PolarHBondContact O-N 2.96Å; P39-E45 HydrophobicContact CG-CG 4.39Å; E45-Y97 PolarHBondContact OE1-OH 2.97Å; E45-N98 HydrophobicContact CB-CB 3.96Å; E45-N98 HydrophobicContact CG-CB 4.21Å; E45-N98 WeakPolarHBondContact OE2-CB 3.05Å; E45-N98 PolarHBondContact OE2-ND2 3.41Å; E45-A99 VanDerWaalsContact CA-O 3.3Å; E45-A99 WeakPolarHBondContact CA-O 3.31Å |
| 46 | H | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.1 | 170.9 | -62.8 | 153 | 0 | 0 | 0 | 110.9 | T12 F34 Q36 A48 I51 Q81 N98 A99 V101 | T12-H46 PolarHBondContact O-CE1 2.85Å; T12-H46 PolarHBondContact O-NE2 2.97Å; F34-H46 HydrophobicContact CE2-CB 4.46Å; F34-H46 AromaticContact CE2-CD2 3.74Å; F34-H46 AromaticContact CE2-CE1 3.6Å; F34-H46 AromaticContact CE2-CG 3.72Å; F34-H46 AromaticContact CE2-ND1 3.61Å; F34-H46 AromaticContact CE2-NE2 3.69Å; Q36-H46 PolarHBondContact NE2-NE2 2.88Å; Q36-H46 VanDerWaalsContact NE2-NE2 3.2Å; Q36-H46 PolarHBondContact OE1-NE2 3.03Å; H46-A48 PolarHBondContact O-N 3.29Å; H46-I51 HydrophobicContact CB-CD1 3.58Å; H46-I51 HydrophobicContact CB-CG1 4.32Å; H46-Q81 PolarHBondContact ND1-NE2 2.66Å; H46-N98 CarbonylContact O-C 3.59Å; H46-A99 HydrophobicContact CB-CB 4.35Å; H46-A99 PolarHBondContact N-O 3.45Å; H46-A99 WeakPolarHBondContact O-CB 3.2Å; H46-A99 PolarHBondContact O-N 2.94Å; H46-V101 HydrophobicContact CB-CG2 4.24Å; H46-V101 WeakPolarHBondContact CE1-CG2 3.32Å; H46-V101 VanDerWaalsContact CG-CG2 3.5Å; H46-V101 VanDerWaalsContact ND1-CG2 3.31Å; H46-V101 WeakPolarHBondContact ND1-CG2 3.39Å |
| 47 | D | 98.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | trans | -76.3 | 116.1 | 164.6 | -177.9 | -20.1 | 0 | 0 | 0 | 109.3 | N49 E50 I51 | D47-N49 VanDerWaalsContact C-N 3.25Å; D47-N49 PolarHBondContact O-N 2.96Å; D47-N49 WeakPolarHBondContact OD1-CA 3.32Å; D47-N49 WeakPolarHBondContact OD1-CB 3.44Å; D47-N49 PolarHBondContact OD1-N 3.03Å; D47-E50 HydrophobicContact CB-CB 3.81Å; D47-E50 WeakPolarHBondContact O-CB 3.3Å; D47-E50 PolarHBondContact O-N 3.18Å; D47-E50 VanDerWaalsContact O-N 3.11Å; D47-E50 PolarHBondContact OD1-N 3.45Å; D47-I51 PolarHBondContact O-N 2.87Å | ||
| 48 | A | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -26.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H46 W52 V86 P95 W167 | H46-A48 PolarHBondContact O-N 3.29Å; A48-W52 PolarHBondContact O-N 3.1Å; A48-V86 HydrophobicContact CB-CG1 3.75Å; A48-V86 HydrophobicContact CB-CG2 4.29Å; A48-P95 HydrophobicContact CB-CB 4.42Å; A48-P95 HydrophobicContact CB-CG 3.78Å; A48-W167 HydrophobicContact CB-CZ2 4.05Å; A48-W167 PolarHBondContact O-NE1 3.47Å |
| 49 | N | 98.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75 | -36 | 172 | -66.9 | -53.7 | 0 | 0 | 0 | 111.4 | D47 W52 N53 | D47-N49 VanDerWaalsContact C-N 3.25Å; D47-N49 PolarHBondContact O-N 2.96Å; D47-N49 WeakPolarHBondContact OD1-CA 3.32Å; D47-N49 WeakPolarHBondContact OD1-CB 3.44Å; D47-N49 PolarHBondContact OD1-N 3.03Å; N49-W52 PolarHBondContact O-N 3.07Å; N49-N53 WeakPolarHBondContact O-CB 3.39Å; N49-N53 PolarHBondContact O-N 2.89Å; N49-N53 PolarHBondContact O-ND2 2.83Å |
| 50 | E | 98.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 36.2 Ų | 36.2 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 172.8 | -169 | -176.8 | 173.4 | 0 | 0 | 111.2 | F34 T35 D47 W52 N53 S54 | F34-E50 WeakPolarHBondContact CA-OE1 3.41Å; F34-E50 HydrophobicContact CB-CG 4.03Å; T35-E50 WeakPolarHBondContact CB-OE1 3.39Å; T35-E50 VanDerWaalsContact CB-OE2 3.24Å; T35-E50 WeakPolarHBondContact CB-OE2 3.48Å; T35-E50 PolarHBondContact N-OE1 3.27Å; T35-E50 PolarHBondContact OG1-OE1 3.05Å; T35-E50 PolarHBondContact OG1-OE2 3.01Å; D47-E50 HydrophobicContact CB-CB 3.81Å; D47-E50 WeakPolarHBondContact O-CB 3.3Å; D47-E50 PolarHBondContact O-N 3.18Å; D47-E50 VanDerWaalsContact O-N 3.11Å; D47-E50 PolarHBondContact OD1-N 3.45Å; E50-W52 VanDerWaalsContact C-N 3.33Å; E50-W52 PolarHBondContact O-N 2.93Å; E50-N53 PolarHBondContact O-N 3.24Å; E50-S54 WeakPolarHBondContact O-CB 3.34Å; E50-S54 PolarHBondContact O-N 2.93Å |
| 51 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.5 | -53.4 | 169.1 | -77.1 | 165.3 | 0 | 0 | 0 | 109.9 | Q10 F34 H46 D47 N53 S54 V55 I164 L168 | Q10-I51 HydrophobicContact CG-CG2 3.8Å; F34-I51 HydrophobicContact CD2-CG1 4.29Å; F34-I51 HydrophobicContact CE2-CG1 4.1Å; F34-I51 HydrophobicContact CZ-CG1 4.25Å; H46-I51 HydrophobicContact CB-CD1 3.58Å; H46-I51 HydrophobicContact CB-CG1 4.32Å; D47-I51 PolarHBondContact O-N 2.87Å; I51-N53 PolarHBondContact O-N 3Å; I51-S54 PolarHBondContact O-N 3.38Å; I51-S54 VanDerWaalsContact O-N 3.16Å; I51-S54 PolarHBondContact O-OG 3.11Å; I51-V55 PolarHBondContact O-N 3.2Å; I51-I164 HydrophobicContact CD1-CD1 4.06Å; I51-L168 HydrophobicContact CG2-CD2 4.37Å |
| 52 | W | 98.7 | Very high | 97.5 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | -179.9 | 172.6 | -123 | 0 | 0 | 0 | 112.7 | A48 N49 E50 S54 V55 Q56 L168 K171 L172 H230 | A48-W52 PolarHBondContact O-N 3.1Å; N49-W52 PolarHBondContact O-N 3.07Å; E50-W52 VanDerWaalsContact C-N 3.33Å; E50-W52 PolarHBondContact O-N 2.93Å; W52-S54 VanDerWaalsContact C-N 3.31Å; W52-S54 PolarHBondContact O-N 3.49Å; W52-V55 HydrophobicContact CE3-CB 4.29Å; W52-V55 HydrophobicContact CE3-CG1 4.31Å; W52-V55 HydrophobicContact CZ3-CG1 4.07Å; W52-V55 PolarHBondContact O-N 3.35Å; W52-Q56 HydrophobicContact CD2-CG 4.02Å; W52-Q56 VanDerWaalsContact CE2-CD 3.42Å; W52-Q56 HydrophobicContact CE3-CG 4.3Å; W52-Q56 HydrophobicContact CH2-CG 3.77Å; W52-Q56 HydrophobicContact CZ2-CG 3.45Å; W52-Q56 VanDerWaalsContact CZ2-CG 3.45Å; W52-Q56 HydrophobicContact CZ3-CG 4.18Å; W52-Q56 WeakPolarHBondContact O-CG 3.43Å; W52-Q56 PolarHBondContact O-N 3.16Å; W52-L168 HydrophobicContact CE3-CD2 4.19Å; W52-K171 HydrophobicContact CD2-CB 3.7Å; W52-K171 HydrophobicContact CD2-CG 3.94Å; W52-K171 HydrophobicContact CE3-CB 3.7Å; W52-K171 HydrophobicContact CE3-CG 4.18Å; W52-K171 HydrophobicContact CG-CB 4.37Å; W52-K171 HydrophobicContact CG-CG 4.09Å; W52-K171 HydrophobicContact CH2-CB 4.03Å; W52-K171 HydrophobicContact CZ2-CB 4.02Å; W52-K171 HydrophobicContact CZ3-CB 3.87Å; W52-L172 HydrophobicContact CH2-CD2 3.85Å; W52-L172 HydrophobicContact CH2-CG 4.13Å; W52-L172 HydrophobicContact CZ3-CD2 4.08Å; W52-L172 HydrophobicContact CZ3-CG 4.04Å; W52-H230 AromaticContact CZ2-ND1 3.94Å |
| 53 | N | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 23.4 Ų | 23.4 | 44% | 0.444 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 176.7 | -69.6 | -23 | 0 | 0 | 0 | 112.2 | N49 E50 I51 Q56 S57 | N49-N53 WeakPolarHBondContact O-CB 3.39Å; N49-N53 PolarHBondContact O-N 2.89Å; N49-N53 PolarHBondContact O-ND2 2.83Å; E50-N53 PolarHBondContact O-N 3.24Å; I51-N53 PolarHBondContact O-N 3Å; N53-Q56 PolarHBondContact OD1-NE2 3.41Å; N53-S57 WeakPolarHBondContact O-CB 3.16Å; N53-S57 PolarHBondContact O-N 2.79Å; N53-S57 PolarHBondContact O-OG 2.99Å |
| 54 | S | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 175.2 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | S15 E50 I51 W52 S57 V58 | S15-S54 WeakPolarHBondContact CB-OG 3.41Å; S15-S54 PolarHBondContact OG-OG 3.31Å; E50-S54 WeakPolarHBondContact O-CB 3.34Å; E50-S54 PolarHBondContact O-N 2.93Å; I51-S54 PolarHBondContact O-N 3.38Å; I51-S54 VanDerWaalsContact O-N 3.16Å; I51-S54 PolarHBondContact O-OG 3.11Å; W52-S54 VanDerWaalsContact C-N 3.31Å; W52-S54 PolarHBondContact O-N 3.49Å; S54-S57 WeakPolarHBondContact O-CB 3.29Å; S54-S57 PolarHBondContact O-N 3.32Å; S54-V58 WeakPolarHBondContact O-CG2 3.38Å; S54-V58 PolarHBondContact O-N 3.4Å; S54-V58 VanDerWaalsContact O-N 3.07Å |
| 55 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -49.1 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | I8 Q10 I51 W52 S57 V58 I59 L168 | I8-V55 HydrophobicContact CD1-CG1 4.34Å; I8-V55 HydrophobicContact CG2-CG1 3.83Å; I8-V55 HydrophobicContact CG2-CG2 4.26Å; Q10-V55 HydrophobicContact CG-CG2 4.17Å; I51-V55 PolarHBondContact O-N 3.2Å; W52-V55 HydrophobicContact CE3-CB 4.29Å; W52-V55 HydrophobicContact CE3-CG1 4.31Å; W52-V55 HydrophobicContact CZ3-CG1 4.07Å; W52-V55 PolarHBondContact O-N 3.35Å; V55-S57 PolarHBondContact O-N 3.06Å; V55-V58 VanDerWaalsContact O-CG2 3.23Å; V55-V58 WeakPolarHBondContact O-CG2 3.32Å; V55-V58 PolarHBondContact O-N 2.89Å; V55-I59 HydrophobicContact CG1-CD1 3.81Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 WeakPolarHBondContact O-CG1 3.35Å; V55-I59 PolarHBondContact O-N 3.29Å; V55-L168 HydrophobicContact CB-CD2 4.39Å; V55-L168 HydrophobicContact CG1-CD2 4.46Å; V55-L168 HydrophobicContact CG2-CD1 4.3Å; V55-L168 HydrophobicContact CG2-CD2 3.86Å |
| 56 | Q | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 34.4 Ų | 34.4 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.6 | -39.9 | 175 | -70.5 | -179.7 | 99.6 | 0 | 0 | 112 | W52 N53 A60 | W52-Q56 HydrophobicContact CD2-CG 4.02Å; W52-Q56 VanDerWaalsContact CE2-CD 3.42Å; W52-Q56 HydrophobicContact CE3-CG 4.3Å; W52-Q56 HydrophobicContact CH2-CG 3.77Å; W52-Q56 HydrophobicContact CZ2-CG 3.45Å; W52-Q56 VanDerWaalsContact CZ2-CG 3.45Å; W52-Q56 HydrophobicContact CZ3-CG 4.18Å; W52-Q56 WeakPolarHBondContact O-CG 3.43Å; W52-Q56 PolarHBondContact O-N 3.16Å; N53-Q56 PolarHBondContact OD1-NE2 3.41Å; Q56-A60 WeakPolarHBondContact O-CB 3.41Å; Q56-A60 PolarHBondContact O-N 3.31Å; Q56-A60 VanDerWaalsContact O-N 3.13Å |
| 57 | S | 98.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 112 | K32 N53 S54 V55 G61 | K32-S57 VanDerWaalsContact CD-CB 3.5Å; K32-S57 PolarHBondContact NZ-OG 2.92Å; N53-S57 WeakPolarHBondContact O-CB 3.16Å; N53-S57 PolarHBondContact O-N 2.79Å; N53-S57 PolarHBondContact O-OG 2.99Å; S54-S57 WeakPolarHBondContact O-CB 3.29Å; S54-S57 PolarHBondContact O-N 3.32Å; V55-S57 PolarHBondContact O-N 3.06Å; S57-G61 PolarHBondContact O-N 3.4Å |
| 58 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77 | -32.7 | -177.7 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | A17 S30 K32 S54 V55 G61 S62 | A17-V58 HydrophobicContact CB-CB 4.04Å; A17-V58 HydrophobicContact CB-CG2 3.88Å; A17-V58 WeakPolarHBondContact CB-O 3.5Å; S30-V58 WeakPolarHBondContact CB-O 3.39Å; K32-V58 HydrophobicContact CB-CG1 3.65Å; S54-V58 WeakPolarHBondContact O-CG2 3.38Å; S54-V58 PolarHBondContact O-N 3.4Å; S54-V58 VanDerWaalsContact O-N 3.07Å; V55-V58 VanDerWaalsContact O-CG2 3.23Å; V55-V58 WeakPolarHBondContact O-CG2 3.32Å; V55-V58 PolarHBondContact O-N 2.89Å; V58-G61 PolarHBondContact O-N 3Å; V58-S62 WeakPolarHBondContact O-CB 3.39Å; V58-S62 PolarHBondContact O-N 2.92Å; V58-S62 PolarHBondContact O-OG 3.21Å |
| 59 | I | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -52.8 | 169.4 | -68.9 | 170.1 | 0 | 0 | 0 | 109.1 | M6 I8 A17 V55 G61 S62 L63 L172 F231 Y232 | M6-I59 HydrophobicContact CE-CG2 4.23Å; M6-I59 HydrophobicContact SD-CG1 4.14Å; M6-I59 HydrophobicContact SD-CG2 4.04Å; I8-I59 HydrophobicContact CD1-CD1 3.67Å; I8-I59 HydrophobicContact CD1-CG1 4.09Å; I8-I59 HydrophobicContact CG1-CD1 4.36Å; I8-I59 HydrophobicContact CG1-CG1 4.23Å; A17-I59 HydrophobicContact CB-CG1 4.4Å; V55-I59 HydrophobicContact CG1-CD1 3.81Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 WeakPolarHBondContact O-CG1 3.35Å; V55-I59 PolarHBondContact O-N 3.29Å; I59-G61 PolarHBondContact O-N 3.48Å; I59-S62 PolarHBondContact O-N 3.25Å; I59-S62 PolarHBondContact O-OG 2.97Å; I59-L63 HydrophobicContact CG2-CD1 4.35Å; I59-L63 WeakPolarHBondContact O-CG 3.27Å; I59-L63 PolarHBondContact O-N 3.32Å; I59-L172 HydrophobicContact CD1-CD2 4.37Å; I59-F231 HydrophobicContact CG2-CD2 4.39Å; I59-F231 HydrophobicContact CG2-CE2 3.79Å; I59-Y232 HydrophobicContact CG2-CE2 4.06Å |
| 60 | A | 98.2 | Very high | 97.9 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q56 S62 L63 I64 Y232 | Q56-A60 WeakPolarHBondContact O-CB 3.41Å; Q56-A60 PolarHBondContact O-N 3.31Å; Q56-A60 VanDerWaalsContact O-N 3.13Å; A60-S62 PolarHBondContact O-N 2.95Å; A60-L63 PolarHBondContact O-N 3.18Å; A60-I64 WeakPolarHBondContact O-CD1 3.05Å; A60-I64 VanDerWaalsContact O-CG1 3.23Å; A60-I64 WeakPolarHBondContact O-CG1 3.47Å; A60-I64 PolarHBondContact O-N 2.8Å; A60-Y232 VanDerWaalsContact CA-OH 3.23Å; A60-Y232 WeakPolarHBondContact CA-OH 3.43Å; A60-Y232 VanDerWaalsContact CB-OH 3.24Å; A60-Y232 WeakPolarHBondContact CB-OH 3.46Å; A60-Y232 PolarHBondContact N-OH 2.84Å |
| 61 | G | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S57 V58 I59 L63 I64 E65 | S57-G61 PolarHBondContact O-N 3.4Å; V58-G61 PolarHBondContact O-N 3Å; I59-G61 PolarHBondContact O-N 3.48Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.29Å; G61-I64 PolarHBondContact O-N 3.46Å; G61-E65 WeakPolarHBondContact O-CB 3.48Å; G61-E65 WeakPolarHBondContact O-CG 3.37Å; G61-E65 PolarHBondContact O-N 3.27Å |
| 62 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | -178.7 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | S28 V58 I59 A60 G66 | S28-S62 VanDerWaalsContact CB-O 3.28Å; S28-S62 WeakPolarHBondContact CB-O 3.4Å; S28-S62 PolarHBondContact OG-O 2.86Å; V58-S62 WeakPolarHBondContact O-CB 3.39Å; V58-S62 PolarHBondContact O-N 2.92Å; V58-S62 PolarHBondContact O-OG 3.21Å; I59-S62 PolarHBondContact O-N 3.25Å; I59-S62 PolarHBondContact O-OG 2.97Å; A60-S62 PolarHBondContact O-N 2.95Å; S62-G66 PolarHBondContact O-N 2.89Å; S62-G66 VanDerWaalsContact O-N 3.14Å |
| 63 | L | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 175 | -67 | 173.2 | 0 | 0 | 0 | 111.8 | M6 I59 A60 G61 G67 L68 P70 I73 Y232 | M6-L63 HydrophobicContact CE-CD1 4.4Å; M6-L63 HydrophobicContact CE-CD2 3.74Å; M6-L63 HydrophobicContact CE-CG 3.87Å; I59-L63 HydrophobicContact CG2-CD1 4.35Å; I59-L63 WeakPolarHBondContact O-CG 3.27Å; I59-L63 PolarHBondContact O-N 3.32Å; A60-L63 PolarHBondContact O-N 3.18Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.29Å; L63-G67 PolarHBondContact O-N 3.33Å; L63-G67 VanDerWaalsContact O-N 3.11Å; L63-L68 HydrophobicContact CD2-CB 4.14Å; L63-L68 PolarHBondContact O-N 3.13Å; L63-P70 HydrophobicContact CD1-CG 4.22Å; L63-I73 HydrophobicContact CD2-CD1 4.12Å; L63-I73 HydrophobicContact CD2-CG1 4.14Å; L63-Y232 HydrophobicContact CD1-CD2 3.9Å; L63-Y232 HydrophobicContact CD1-CE2 3.45Å; L63-Y232 VanDerWaalsContact CD1-CE2 3.45Å |
| 64 | I | 97.9 | Very high | 97.7 | Very high | 134 Ų | 134 | 42.5 Ų | 42.5 | 69% | 0.687 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.6 | -49.5 | 178 | -69.7 | 165.2 | 0 | 0 | 0 | 110.8 | A60 G61 G66 G67 | A60-I64 WeakPolarHBondContact O-CD1 3.05Å; A60-I64 VanDerWaalsContact O-CG1 3.23Å; A60-I64 WeakPolarHBondContact O-CG1 3.47Å; A60-I64 PolarHBondContact O-N 2.8Å; G61-I64 PolarHBondContact O-N 3.46Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 2.81Å; I64-G67 PolarHBondContact O-N 3.02Å; I64-G67 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 96.8 | Very high | 97.7 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.9 | -37.9 | -178.2 | -73.8 | -174 | -153.2 | 0 | 0 | 112 | G61 G67 | G61-E65 WeakPolarHBondContact O-CB 3.48Å; G61-E65 WeakPolarHBondContact O-CG 3.37Å; G61-E65 PolarHBondContact O-N 3.27Å; E65-G67 VanDerWaalsContact C-N 3.32Å |
| 66 | G | 95.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.9 | -9.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S62 I64 L68 | S62-G66 PolarHBondContact O-N 2.89Å; S62-G66 VanDerWaalsContact O-N 3.14Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 2.81Å; G66-L68 WeakPolarHBondContact O-CD2 3.34Å; G66-L68 PolarHBondContact O-N 3.15Å |
| 67 | G | 96.8 | Very high | 97.7 | Very high | 66 Ų | 66 | 39 Ų | 39 | 68% | 0.68 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 30.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L63 I64 E65 | L63-G67 PolarHBondContact O-N 3.33Å; L63-G67 VanDerWaalsContact O-N 3.11Å; I64-G67 PolarHBondContact O-N 3.02Å; I64-G67 VanDerWaalsContact O-N 3.12Å; E65-G67 VanDerWaalsContact C-N 3.32Å |
| 68 | L | 97.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | trans | -93.9 | 146.2 | -171.6 | -57.6 | -178.7 | 0 | 0 | 0 | 111.2 | Y4 V19 V27 L63 G66 | Y4-L68 HydrophobicContact CD2-CD1 4.09Å; Y4-L68 HydrophobicContact CD2-CD2 4.12Å; Y4-L68 HydrophobicContact CE2-CD1 4.3Å; Y4-L68 HydrophobicContact CE2-CD2 3.52Å; Y4-L68 HydrophobicContact CE2-CG 4.49Å; Y4-L68 HydrophobicContact CG-CD1 4.37Å; V19-L68 HydrophobicContact CB-CD1 4.08Å; V19-L68 HydrophobicContact CG1-CD1 3.53Å; V19-L68 HydrophobicContact CG2-CD1 4.25Å; V27-L68 HydrophobicContact CG1-CD1 4.28Å; V27-L68 HydrophobicContact CG1-CD2 4.48Å; L63-L68 HydrophobicContact CD2-CB 4.14Å; L63-L68 PolarHBondContact O-N 3.13Å; G66-L68 WeakPolarHBondContact O-CD2 3.34Å; G66-L68 PolarHBondContact O-N 3.15Å | ||
| 69 | K | 96.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 37 Ų | 37 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | trans | -88.6 | 144.5 | 169.2 | -61.8 | -179.5 | -178.9 | -178.9 | 0 | 110.4 | D71 Q72 | K69-D71 WeakPolarHBondContact CB-OD1 3.33Å; K69-D71 PolarHBondContact O-N 3.03Å; K69-Q72 HydrophobicContact CB-CG 4.15Å; K69-Q72 VanDerWaalsContact O-CB 3.31Å; K69-Q72 WeakPolarHBondContact O-CB 3.49Å; K69-Q72 PolarHBondContact O-N 3.01Å | ||
| 70 | P | 96.2 | Very high | 97.8 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -58.4 | -29.3 | 178.9 | -23 | 30.5 | 0 | 0 | 0 | 114.4 | L63 Q72 I73 F231 Y232 | L63-P70 HydrophobicContact CD1-CG 4.22Å; P70-Q72 PolarHBondContact O-N 3.02Å; P70-I73 PolarHBondContact O-N 2.76Å; P70-F231 HydrophobicContact CB-CD1 4.04Å; P70-F231 HydrophobicContact CB-CE1 3.93Å; P70-Y232 HydrophobicContact CB-CD2 4.02Å; P70-Y232 HydrophobicContact CB-CG 4.5Å; P70-Y232 HydrophobicContact CG-CD2 3.66Å; P70-Y232 HydrophobicContact CG-CG 3.86Å |
| 71 | D | 96 | Very high | 97.7 | Very high | 87 Ų | 87 | 35.4 Ų | 35.4 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -72.5 | -5.4 | 176.6 | 64.9 | -15.5 | 0 | 0 | 0 | 113.8 | K69 | K69-D71 WeakPolarHBondContact CB-OD1 3.33Å; K69-D71 PolarHBondContact O-N 3.03Å |
| 72 | Q | 97.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -89 | -7.4 | 173 | -58.9 | -178.2 | -100.2 | 0 | 0 | 113 | M1 E2 S3 Y4 K69 P70 | M1-Q72 HydrophobicContact CG-CG 4.09Å; M1-Q72 HydrophobicContact SD-CG 3.9Å; E2-Q72 PolarHBondContact O-NE2 3.19Å; S3-Q72 CarbonylContact C-O 3.59Å; S3-Q72 VanDerWaalsContact CA-O 3.3Å; S3-Q72 WeakPolarHBondContact CA-O 3.42Å; Y4-Q72 HydrophobicContact CD2-CB 3.92Å; Y4-Q72 HydrophobicContact CE2-CB 4.2Å; Y4-Q72 PolarHBondContact N-O 3.22Å; K69-Q72 HydrophobicContact CB-CG 4.15Å; K69-Q72 VanDerWaalsContact O-CB 3.31Å; K69-Q72 WeakPolarHBondContact O-CB 3.49Å; K69-Q72 PolarHBondContact O-N 3.01Å; P70-Q72 PolarHBondContact O-N 3.02Å |
| 73 | I | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 112.1 | 176.8 | -52.5 | -54.7 | 0 | 0 | 0 | 108.8 | Y4 M6 V19 L63 P70 G75 I76 F231 V236 | Y4-I73 CarbonylContact O-C 3.4Å; Y4-I73 WeakPolarHBondContact O-CA 3.36Å; M6-I73 HydrophobicContact CB-CD1 4.45Å; M6-I73 HydrophobicContact CB-CG2 3.78Å; M6-I73 HydrophobicContact CE-CD1 4.26Å; M6-I73 HydrophobicContact CE-CG1 4.29Å; V19-I73 HydrophobicContact CG1-CD1 4.07Å; V19-I73 HydrophobicContact CG2-CD1 4.42Å; L63-I73 HydrophobicContact CD2-CD1 4.12Å; L63-I73 HydrophobicContact CD2-CG1 4.14Å; P70-I73 PolarHBondContact O-N 2.76Å; I73-G75 WeakPolarHBondContact CG2-O 3.39Å; I73-I76 HydrophobicContact CG2-CG1 4.26Å; I73-F231 HydrophobicContact CB-CE1 4.28Å; I73-F231 HydrophobicContact CB-CZ 4.4Å; I73-F231 HydrophobicContact CG1-CE1 4.18Å; I73-F231 HydrophobicContact CG1-CZ 4.14Å; I73-F231 HydrophobicContact CG2-CZ 4.47Å; I73-V236 HydrophobicContact CB-CG1 4.24Å; I73-V236 HydrophobicContact CG2-CG1 3.81Å |
| 74 | E | 98 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -22.1 | -180 | -89.1 | -174.4 | -149.9 | 0 | 0 | 113 | S3 Y4 I5 P237 Y452 | S3-E74 WeakPolarHBondContact CB-OE1 3.18Å; S3-E74 PolarHBondContact OG-OE1 3.23Å; Y4-E74 PolarHBondContact O-N 3.27Å; I5-E74 HydrophobicContact CD1-CB 4.27Å; E74-P237 WeakPolarHBondContact O-CD 3.24Å; E74-P237 WeakPolarHBondContact O-CG 3.38Å; E74-Y452 HydrophobicContact CB-CD2 4.35Å; E74-Y452 VanDerWaalsContact OE2-CD2 3.32Å; E74-Y452 WeakPolarHBondContact OE2-CD2 3.35Å |
| 75 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 158.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M6 I73 P237 | M6-G75 PolarHBondContact N-O 3.17Å; I73-G75 WeakPolarHBondContact CG2-O 3.39Å; G75-P237 WeakPolarHBondContact CA-O 3.39Å |
| 76 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128 | 178.5 | -62.7 | 165.9 | 0 | 0 | 0 | 109.8 | M6 I8 I73 I78 T226 F231 V236 P237 A239 G240 | M6-I76 HydrophobicContact CB-CG1 4.36Å; M6-I76 CarbonylContact O-C 3.58Å; M6-I76 VanDerWaalsContact O-CA 3.27Å; M6-I76 WeakPolarHBondContact O-CA 3.45Å; I8-I76 HydrophobicContact CD1-CG2 3.76Å; I8-I76 HydrophobicContact CG1-CG2 4.26Å; I73-I76 HydrophobicContact CG2-CG1 4.26Å; I76-I78 HydrophobicContact CG2-CG1 4.05Å; I76-T226 HydrophobicContact CD1-CG2 3.63Å; I76-F231 HydrophobicContact CD1-CD2 4.11Å; I76-F231 HydrophobicContact CD1-CE2 3.71Å; I76-F231 HydrophobicContact CD1-CZ 4.11Å; I76-V236 HydrophobicContact CD1-CB 4.08Å; I76-V236 HydrophobicContact CD1-CG1 3.78Å; I76-V236 HydrophobicContact CG1-CG1 3.75Å; I76-P237 PolarHBondContact N-O 2.92Å; I76-A239 PolarHBondContact O-N 2.87Å; I76-G240 PolarHBondContact O-N 3.45Å |
| 77 | G | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | M6 S7 I8 G240 | M6-G77 PolarHBondContact O-N 3.12Å; S7-G77 CarbonylContact C-O 3.6Å; S7-G77 WeakPolarHBondContact CA-O 3.42Å; I8-G77 PolarHBondContact N-O 2.99Å; G77-G240 CarbonylContact C-O 3.56Å; G77-G240 WeakPolarHBondContact CA-O 3.29Å |
| 78 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.3 | -179.3 | -58.9 | 174.8 | 0 | 0 | 0 | 109.2 | I8 I76 L168 V169 L172 I238 G240 M241 A242 V442 | I8-I78 HydrophobicContact CD1-CG1 4.47Å; I76-I78 HydrophobicContact CG2-CG1 4.05Å; I78-L168 HydrophobicContact CD1-CB 4.46Å; I78-L168 HydrophobicContact CG2-CB 4.33Å; I78-L168 HydrophobicContact CG2-CD1 3.89Å; I78-V169 HydrophobicContact CD1-CG2 3.7Å; I78-L172 HydrophobicContact CD1-CD1 3.63Å; I78-I238 HydrophobicContact CD1-CG2 3.63Å; I78-I238 HydrophobicContact CG1-CG2 4.22Å; I78-G240 PolarHBondContact N-O 2.86Å; I78-M241 HydrophobicContact CB-CG 4.31Å; I78-M241 WeakPolarHBondContact O-CA 3.46Å; I78-A242 PolarHBondContact O-N 3.37Å; I78-V442 WeakPolarHBondContact O-CG1 3.49Å |
| 79 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.9 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | I8 D9 Q10 A242 D244 A247 T438 V442 | I8-T79 WeakPolarHBondContact O-CG2 3.38Å; I8-T79 PolarHBondContact O-N 3.46Å; I8-T79 VanDerWaalsContact O-O 3.14Å; D9-T79 WeakPolarHBondContact CA-O 3.48Å; D9-T79 HydrophobicContact CB-CG2 3.52Å; Q10-T79 PolarHBondContact N-O 2.85Å; T79-A242 VanDerWaalsContact CA-O 3.27Å; T79-A242 WeakPolarHBondContact CA-O 3.39Å; T79-A242 PolarHBondContact OG1-O 2.67Å; T79-D244 WeakPolarHBondContact OG1-CA 3.48Å; T79-D244 PolarHBondContact OG1-N 2.99Å; T79-A247 WeakPolarHBondContact OG1-CB 3.39Å; T79-T438 HydrophobicContact CG2-CG2 3.73Å; T79-T438 WeakPolarHBondContact OG1-CG2 3.06Å; T79-V442 HydrophobicContact CG2-CG1 4.37Å; T79-V442 HydrophobicContact CG2-CG2 3.58Å |
| 80 | N | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 157 | -171.1 | 62.1 | -70.7 | 0 | 0 | 0 | 113.5 | Q10 R82 I164 D165 N184 D244 | Q10-N80 HydrophobicContact CB-CB 4.4Å; Q10-N80 CarbonylContact O-C 3.58Å; Q10-N80 VanDerWaalsContact O-CA 3.31Å; Q10-N80 WeakPolarHBondContact O-CA 3.38Å; N80-R82 PolarHBondContact O-N 2.91Å; N80-I164 HydrophobicContact CB-CB 3.73Å; N80-I164 HydrophobicContact CB-CG2 3.56Å; N80-D165 WeakPolarHBondContact OD1-CB 3.46Å; N80-N184 PolarHBondContact ND2-OD1 3.27Å; N80-N184 PolarHBondContact OD1-ND2 3.36Å; N80-N184 PolarHBondContact OD1-OD1 3.07Å; N80-D244 VanDerWaalsContact O-CB 3.25Å; N80-D244 WeakPolarHBondContact O-CB 3.3Å; N80-D244 VanDerWaalsContact O-CG 3.26Å; N80-D244 PolarHBondContact O-N 3.17Å |
| 81 | Q | 97 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -53.6 | 121.1 | 158.5 | 59.2 | 177.3 | -49 | 0 | 0 | 109.2 | Q10 H46 T84 I164 | Q10-Q81 PolarHBondContact O-N 2.9Å; H46-Q81 PolarHBondContact ND1-NE2 2.66Å; Q81-T84 PolarHBondContact OE1-OG1 2.94Å; Q81-T84 VanDerWaalsContact OE1-OG1 3.07Å; Q81-I164 HydrophobicContact CG-CG1 3.98Å | ||
| 82 | R | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -74.8 | 168.2 | -178.3 | -62.2 | 172.4 | -54.7 | 149.6 | 16.8 | 110.5 | N80 T84 Y134 R187 G243 D244 Q245 Q246 E302 | N80-R82 PolarHBondContact O-N 2.91Å; R82-T84 PolarHBondContact O-N 3.21Å; R82-Y134 PolarHBondContact NH2-OH 3.06Å; R82-R187 HydrophobicContact CB-CG 4.29Å; R82-G243 VanDerWaalsContact CG-CA 3.47Å; R82-D244 IonicContact NE-OD1 3.74Å; R82-D244 PolarHBondContact NE-OD1 2.85Å; R82-Q245 VanDerWaalsContact CZ-CG 3.42Å; R82-Q245 VanDerWaalsContact NH2-CG 3.3Å; R82-Q246 VanDerWaalsContact CD-OE1 3.25Å; R82-E302 IonicContact CZ-OE1 2.99Å; R82-E302 IonicContact CZ-OE2 2.83Å; R82-E302 IonicContact NH1-OE1 3.16Å; R82-E302 PolarHBondContact NH1-OE1 3.33Å; R82-E302 IonicContact NH1-OE2 2.77Å; R82-E302 PolarHBondContact NH1-OE2 3.26Å; R82-E302 IonicContact NH2-OE1 2.67Å; R82-E302 PolarHBondContact NH2-OE1 3.45Å; R82-E302 IonicContact NH2-OE2 2.65Å |
| 83 | E | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 62 | -33.3 | 177.8 | -58.3 | 82 | -157.6 | 0 | 0 | 117.3 | T85 W102 Y134 F135 S136 R187 | E83-T85 PolarHBondContact O-N 2.98Å; E83-T85 PolarHBondContact O-OG1 3.25Å; E83-W102 HydrophobicContact CB-CB 3.85Å; E83-Y134 VanDerWaalsContact CB-O 3.3Å; E83-Y134 WeakPolarHBondContact CB-O 3.33Å; E83-Y134 VanDerWaalsContact CD-CZ 3.48Å; E83-Y134 HydrophobicContact CG-CD2 4.26Å; E83-Y134 HydrophobicContact CG-CE2 4.02Å; E83-Y134 PolarHBondContact OE1-OH 3.04Å; E83-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E83-Y134 VanDerWaalsContact OE2-CZ 3.23Å; E83-Y134 PolarHBondContact OE2-OH 3.26Å; E83-F135 HydrophobicContact CG-CD1 3.94Å; E83-S136 WeakPolarHBondContact CA-OG 3.4Å; E83-S136 PolarHBondContact O-OG 3.37Å; E83-R187 HydrophobicContact CG-CB 4.08Å; E83-R187 VanDerWaalsContact OE1-CB 3.3Å; E83-R187 WeakPolarHBondContact OE1-CB 3.31Å; E83-R187 WeakPolarHBondContact OE1-CG 3.43Å; E83-R187 IonicContact OE1-CZ 3.87Å; E83-R187 IonicContact OE1-NE 3.13Å; E83-R187 PolarHBondContact OE1-NE 2.82Å; E83-R187 IonicContact OE1-NH2 3.82Å; E83-R187 PolarHBondContact OE1-NH2 3.46Å |
| 84 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -50.9 | 123 | -179.9 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | Q81 R82 A99 I100 V101 W102 T163 I164 | Q81-T84 PolarHBondContact OE1-OG1 2.94Å; Q81-T84 VanDerWaalsContact OE1-OG1 3.07Å; R82-T84 PolarHBondContact O-N 3.21Å; T84-A99 HydrophobicContact CG2-CB 4.03Å; T84-I100 WeakPolarHBondContact CA-O 3.35Å; T84-V101 HydrophobicContact CG2-CG2 4.47Å; T84-V101 WeakPolarHBondContact OG1-CA 3.42Å; T84-W102 PolarHBondContact OG1-N 3.2Å; T84-T163 WeakPolarHBondContact O-CA 3.32Å; T84-I164 HydrophobicContact CG2-CD1 3.78Å; T84-I164 HydrophobicContact CG2-CG1 3.86Å | ||
| 85 | T | 99 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 128 | -162.6 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | E83 A99 I100 S136 K139 V140 I143 F161 | E83-T85 PolarHBondContact O-N 2.98Å; E83-T85 PolarHBondContact O-OG1 3.25Å; T85-A99 CarbonylContact O-C 3.56Å; T85-A99 WeakPolarHBondContact O-CA 3.36Å; T85-I100 PolarHBondContact N-O 2.88Å; T85-I100 PolarHBondContact O-N 3.17Å; T85-I100 VanDerWaalsContact O-N 3.08Å; T85-S136 WeakPolarHBondContact OG1-CA 3.48Å; T85-S136 VanDerWaalsContact OG1-CB 3.26Å; T85-S136 WeakPolarHBondContact OG1-CB 3.24Å; T85-K139 HydrophobicContact CG2-CB 4.09Å; T85-V140 HydrophobicContact CG2-CG2 3.67Å; T85-I143 HydrophobicContact CG2-CD1 4.16Å; T85-F161 HydrophobicContact CG2-CD2 3.94Å; T85-F161 HydrophobicContact CG2-CE2 3.73Å |
| 86 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.7 | 173.5 | -164.4 | 0 | 0 | 0 | 0 | 109.1 | A48 W88 P95 A99 F161 G162 I164 W167 | A48-V86 HydrophobicContact CB-CG1 3.75Å; A48-V86 HydrophobicContact CB-CG2 4.29Å; V86-W88 HydrophobicContact CB-CE3 4.12Å; V86-W88 HydrophobicContact CB-CZ3 4.22Å; V86-W88 HydrophobicContact CG1-CE3 3.94Å; V86-W88 HydrophobicContact CG1-CZ3 4.5Å; V86-P95 HydrophobicContact CG1-CB 4.46Å; V86-A99 HydrophobicContact CG2-CB 3.84Å; V86-F161 WeakPolarHBondContact O-CA 3.28Å; V86-G162 PolarHBondContact N-O 3.07Å; V86-G162 PolarHBondContact O-N 2.67Å; V86-I164 HydrophobicContact CG2-CD1 3.84Å; V86-W167 HydrophobicContact CG1-CD2 4.48Å; V86-W167 HydrophobicContact CG1-CE3 4.4Å; V86-W167 HydrophobicContact CG2-CB 4.39Å |
| 87 | I | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.3 | 166.3 | -56.8 | -175.4 | 0 | 0 | 0 | 108 | P95 I96 V140 I143 L144 L159 L160 | I87-P95 WeakPolarHBondContact O-CA 3.36Å; I87-I96 HydrophobicContact CB-CD1 4.14Å; I87-I96 HydrophobicContact CB-CG1 3.95Å; I87-I96 HydrophobicContact CG2-CD1 3.69Å; I87-I96 HydrophobicContact CG2-CG1 3.85Å; I87-I96 WeakPolarHBondContact O-CG1 3.34Å; I87-I96 PolarHBondContact O-N 3.49Å; I87-V140 HydrophobicContact CD1-CG1 4.11Å; I87-I143 HydrophobicContact CB-CG2 4.43Å; I87-I143 HydrophobicContact CD1-CB 3.96Å; I87-I143 HydrophobicContact CD1-CD1 4.21Å; I87-I143 HydrophobicContact CD1-CG2 3.83Å; I87-I143 HydrophobicContact CG1-CD1 4.18Å; I87-I143 HydrophobicContact CG1-CG2 4.43Å; I87-L144 HydrophobicContact CD1-CD2 4.18Å; I87-L144 HydrophobicContact CD1-CG 4.27Å; I87-L159 HydrophobicContact CG2-CB 4.1Å; I87-L159 HydrophobicContact CG2-CD1 4.12Å; I87-L160 VanDerWaalsContact CA-O 3.26Å; I87-L160 WeakPolarHBondContact CA-O 3.44Å; I87-L160 WeakPolarHBondContact CG2-O 3.43Å |
| 88 | W | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 162.4 | -177.5 | 67.2 | 94 | 0 | 0 | 0 | 112.1 | V86 H94 L159 L160 G162 T166 W167 W170 H178 | V86-W88 HydrophobicContact CB-CE3 4.12Å; V86-W88 HydrophobicContact CB-CZ3 4.22Å; V86-W88 HydrophobicContact CG1-CE3 3.94Å; V86-W88 HydrophobicContact CG1-CZ3 4.5Å; W88-H94 CarbonylContact C-O 3.58Å; W88-H94 VanDerWaalsContact CA-O 3.25Å; W88-H94 WeakPolarHBondContact CA-O 3.32Å; W88-H94 VanDerWaalsContact CB-O 3.31Å; W88-H94 WeakPolarHBondContact CB-O 3.41Å; W88-L159 CarbonylContact O-C 3.55Å; W88-L159 VanDerWaalsContact O-CA 3.31Å; W88-L159 WeakPolarHBondContact O-CA 3.33Å; W88-L160 HydrophobicContact CD2-CB 4.17Å; W88-L160 HydrophobicContact CH2-CB 4.22Å; W88-L160 HydrophobicContact CZ2-CB 3.63Å; W88-L160 HydrophobicContact CZ2-CD1 4.03Å; W88-L160 HydrophobicContact CZ2-CG 4.5Å; W88-L160 PolarHBondContact N-O 2.91Å; W88-L160 PolarHBondContact O-N 2.61Å; W88-G162 VanDerWaalsContact CZ3-N 3.3Å; W88-T166 HydrophobicContact CH2-CG2 3.86Å; W88-W167 HydrophobicContact CB-CZ3 4.06Å; W88-W167 AromaticContact CD2-CE3 3.86Å; W88-W167 HydrophobicContact CD2-CE3 3.86Å; W88-W167 AromaticContact CD2-CZ3 3.93Å; W88-W167 HydrophobicContact CD2-CZ3 3.93Å; W88-W167 AromaticContact CE3-CE3 3.86Å; W88-W167 HydrophobicContact CE3-CE3 3.86Å; W88-W167 HydrophobicContact CE3-CZ3 4.28Å; W88-W167 HydrophobicContact CG-CE3 4.25Å; W88-W167 AromaticContact CG-CZ3 3.81Å; W88-W167 HydrophobicContact CG-CZ3 3.81Å; W88-W167 HydrophobicContact CZ3-CE3 4.28Å; W88-W170 AromaticContact CD1-NE1 3.72Å; W88-W170 AromaticContact CE2-CD1 3.82Å; W88-W170 HydrophobicContact CZ2-CB 4.14Å; W88-W170 HydrophobicContact CZ2-CD2 4.28Å; W88-W170 AromaticContact CZ2-CG 3.93Å; W88-W170 HydrophobicContact CZ2-CG 3.93Å; W88-W170 AromaticContact NE1-CD1 3.29Å; W88-W170 VanDerWaalsContact NE1-CD1 3.29Å; W88-W170 AromaticContact NE1-CD2 3.91Å; W88-W170 AromaticContact NE1-CE2 3.51Å; W88-W170 AromaticContact NE1-CG 3.79Å; W88-W170 AromaticContact NE1-NE1 3.11Å; W88-W170 VanDerWaalsContact NE1-NE1 3.11Å; W88-H178 AromaticContact CH2-NE2 3.95Å; W88-H178 AromaticContact CZ2-CD2 3.81Å; W88-H178 AromaticContact CZ2-NE2 4Å |
| 89 | E | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 23% | 0.229 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.9 | 174.9 | -54.9 | -176.4 | 165.3 | 0 | 0 | 110.6 | E91 T92 G93 H94 I96 R153 L159 | E89-E91 PolarHBondContact O-N 3.18Å; E89-T92 WeakPolarHBondContact CB-OG1 3.29Å; E89-T92 WeakPolarHBondContact OE2-CG2 3.42Å; E89-T92 PolarHBondContact OE2-OG1 3.39Å; E89-G93 VanDerWaalsContact O-CA 3.25Å; E89-G93 WeakPolarHBondContact O-CA 3.48Å; E89-G93 PolarHBondContact O-N 3.07Å; E89-H94 PolarHBondContact N-O 3.42Å; E89-I96 HydrophobicContact CG-CG2 3.82Å; E89-R153 IonicContact OE1-CZ 3.3Å; E89-R153 IonicContact OE1-NH1 2.74Å; E89-R153 PolarHBondContact OE1-NH1 2.71Å; E89-R153 IonicContact OE1-NH2 3.82Å; E89-R153 PolarHBondContact OE1-NH2 3.11Å; E89-L159 HydrophobicContact CG-CD2 4.06Å |
| 90 | K | 98.1 | Very high | 98.3 | Very high | 113 Ų | 113 | 34.1 Ų | 34.1 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -42.6 | -178.1 | -176 | 173.7 | -179.1 | 174.7 | 0 | 112.8 | E158 L160 W170 | K90-E158 PolarHBondContact N-O 3.15Å; K90-L160 HydrophobicContact CB-CD1 4.24Å; K90-L160 HydrophobicContact CB-CG 4.1Å; K90-L160 HydrophobicContact CD-CD2 4.36Å; K90-L160 HydrophobicContact CG-CD1 4.04Å; K90-L160 HydrophobicContact CG-CG 4.3Å; K90-W170 HydrophobicContact CG-CH2 4.38Å; K90-W170 HydrophobicContact CG-CZ2 4.45Å |
| 91 | E | 96.7 | Very high | 98.2 | Very high | 191 Ų | 191 | 34.1 Ų | 34.1 | 89% | 0.893 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -42.4 | -174.8 | -63.9 | -171.1 | 165.5 | 0 | 0 | 113.2 | E89 | E89-E91 PolarHBondContact O-N 3.18Š|
| 92 | T | 96.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 41% | 0.411 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -22.1 | -174.7 | 71 | 0 | 0 | 0 | 0 | 112.7 | E89 H94 | E89-T92 WeakPolarHBondContact CB-OG1 3.29Å; E89-T92 WeakPolarHBondContact OE2-CG2 3.42Å; E89-T92 PolarHBondContact OE2-OG1 3.39Å; T92-H94 PolarHBondContact O-N 3.4Å; T92-H94 WeakPolarHBondContact OG1-CB 3.34Å; T92-H94 PolarHBondContact OG1-N 3.02Å; T92-H94 PolarHBondContact OG1-ND1 3.38Å |
| 93 | G | 96.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | trans | 69.2 | 14.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E89 W167 | E89-G93 VanDerWaalsContact O-CA 3.25Å; E89-G93 WeakPolarHBondContact O-CA 3.48Å; E89-G93 PolarHBondContact O-N 3.07Å; G93-W167 WeakPolarHBondContact O-CH2 3.48Å | ||
| 94 | H | 98.2 | Very high | 97.5 | Very high | 110 Ų | 110 | 36 Ų | 36 | 51% | 0.509 | 18% | 0.175 | S | C | . | . | trans | -87.2 | 130.9 | 178.5 | -66.8 | 151.4 | 0 | 0 | 0 | 111.7 | W88 E89 T92 | W88-H94 CarbonylContact C-O 3.58Å; W88-H94 VanDerWaalsContact CA-O 3.25Å; W88-H94 WeakPolarHBondContact CA-O 3.32Å; W88-H94 VanDerWaalsContact CB-O 3.31Å; W88-H94 WeakPolarHBondContact CB-O 3.41Å; E89-H94 PolarHBondContact N-O 3.42Å; T92-H94 PolarHBondContact O-N 3.4Å; T92-H94 WeakPolarHBondContact OG1-CB 3.34Å; T92-H94 PolarHBondContact OG1-N 3.02Å; T92-H94 PolarHBondContact OG1-ND1 3.38Å | ||
| 95 | P | 98.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 138.9 | 170.2 | -21 | 32.4 | 0 | 0 | 0 | 111.7 | A48 V86 I87 Y97 W167 | A48-P95 HydrophobicContact CB-CB 4.42Å; A48-P95 HydrophobicContact CB-CG 3.78Å; V86-P95 HydrophobicContact CG1-CB 4.46Å; I87-P95 WeakPolarHBondContact O-CA 3.36Å; P95-Y97 VanDerWaalsContact C-N 3.35Å; P95-Y97 WeakPolarHBondContact CB-O 3.48Å; P95-W167 HydrophobicContact CG-CH2 3.96Å; P95-W167 HydrophobicContact CG-CZ2 4.35Å |
| 96 | I | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -85.9 | -11.8 | 177.1 | 64.2 | 158 | 0 | 0 | 0 | 113.1 | I87 E89 I143 V147 L159 | I87-I96 HydrophobicContact CB-CD1 4.14Å; I87-I96 HydrophobicContact CB-CG1 3.95Å; I87-I96 HydrophobicContact CG2-CD1 3.69Å; I87-I96 HydrophobicContact CG2-CG1 3.85Å; I87-I96 WeakPolarHBondContact O-CG1 3.34Å; I87-I96 PolarHBondContact O-N 3.49Å; E89-I96 HydrophobicContact CG-CG2 3.82Å; I96-I143 HydrophobicContact CD1-CG2 3.74Å; I96-I143 HydrophobicContact CG1-CG2 4.19Å; I96-V147 HydrophobicContact CB-CG1 4.43Å; I96-V147 HydrophobicContact CD1-CB 4.28Å; I96-V147 HydrophobicContact CD1-CG1 4.09Å; I96-V147 HydrophobicContact CD1-CG2 4.46Å; I96-L159 HydrophobicContact CD1-CD1 3.85Å; I96-L159 HydrophobicContact CG2-CD2 3.74Å |
| 97 | Y | 98.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -156.8 | 166.9 | 178.3 | -165.4 | -112.4 | 0 | 0 | 0 | 108.7 | E45 P95 I100 W142 I143 V147 | E45-Y97 PolarHBondContact OE1-OH 2.97Å; P95-Y97 VanDerWaalsContact C-N 3.35Å; P95-Y97 WeakPolarHBondContact CB-O 3.48Å; Y97-I100 HydrophobicContact CD1-CG1 4.28Å; Y97-I100 HydrophobicContact CE1-CD1 4.45Å; Y97-I100 HydrophobicContact CE1-CG1 4.15Å; Y97-W142 HydrophobicContact CD1-CZ3 4.16Å; Y97-W142 HydrophobicContact CE1-CE3 4.44Å; Y97-W142 HydrophobicContact CE1-CH2 4.17Å; Y97-W142 AromaticContact CE1-CZ3 3.54Å; Y97-W142 HydrophobicContact CE1-CZ3 3.54Å; Y97-W142 HydrophobicContact CE2-CH2 4.47Å; Y97-W142 HydrophobicContact CE2-CZ3 4.24Å; Y97-W142 AromaticContact CZ-CH2 3.8Å; Y97-W142 AromaticContact CZ-CZ3 3.57Å; Y97-W142 WeakPolarHBondContact OH-CH2 3.49Å; Y97-I143 HydrophobicContact CD1-CD1 4.45Å; Y97-I143 HydrophobicContact CD1-CG1 4.12Å; Y97-V147 HydrophobicContact CD2-CG2 4.08Å; Y97-V147 HydrophobicContact CG-CG2 4.24Å |
| 98 | N | 98.7 | Very high | 96.7 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 152.9 | 166.7 | -77 | -15.8 | 0 | 0 | 0 | 110.5 | E45 H46 I100 | E45-N98 HydrophobicContact CB-CB 3.96Å; E45-N98 HydrophobicContact CG-CB 4.21Å; E45-N98 WeakPolarHBondContact OE2-CB 3.05Å; E45-N98 PolarHBondContact OE2-ND2 3.41Å; H46-N98 CarbonylContact O-C 3.59Å; N98-I100 PolarHBondContact O-N 3.38Å |
| 99 | A | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E45 H46 T84 T85 V86 V101 | E45-A99 VanDerWaalsContact CA-O 3.3Å; E45-A99 WeakPolarHBondContact CA-O 3.31Å; H46-A99 HydrophobicContact CB-CB 4.35Å; H46-A99 PolarHBondContact N-O 3.45Å; H46-A99 WeakPolarHBondContact O-CB 3.2Å; H46-A99 PolarHBondContact O-N 2.94Å; T84-A99 HydrophobicContact CG2-CB 4.03Å; T85-A99 CarbonylContact O-C 3.56Å; T85-A99 WeakPolarHBondContact O-CA 3.36Å; V86-A99 HydrophobicContact CG2-CB 3.84Å; A99-V101 PolarHBondContact O-N 2.82Å |
| 100 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.1 | 173.9 | -60.9 | 172.1 | 0 | 0 | 0 | 107.7 | T84 T85 Y97 N98 Q106 K139 W142 I143 | T84-I100 WeakPolarHBondContact CA-O 3.35Å; T85-I100 PolarHBondContact N-O 2.88Å; T85-I100 PolarHBondContact O-N 3.17Å; T85-I100 VanDerWaalsContact O-N 3.08Å; Y97-I100 HydrophobicContact CD1-CG1 4.28Å; Y97-I100 HydrophobicContact CE1-CD1 4.45Å; Y97-I100 HydrophobicContact CE1-CG1 4.15Å; N98-I100 PolarHBondContact O-N 3.38Å; I100-Q106 HydrophobicContact CD1-CG 4.43Å; I100-Q106 HydrophobicContact CG2-CG 4.05Å; I100-Q106 VanDerWaalsContact CG2-OE1 3.31Å; I100-K139 HydrophobicContact CB-CB 4.1Å; I100-K139 HydrophobicContact CB-CD 4.16Å; I100-K139 HydrophobicContact CB-CG 4.27Å; I100-K139 HydrophobicContact CD1-CB 4.16Å; I100-K139 HydrophobicContact CG2-CB 4.1Å; I100-K139 HydrophobicContact CG2-CD 3.74Å; I100-K139 HydrophobicContact CG2-CG 3.76Å; I100-W142 HydrophobicContact CD1-CD2 4.29Å; I100-W142 HydrophobicContact CD1-CE3 3.66Å; I100-W142 HydrophobicContact CD1-CZ3 4.29Å; I100-I143 HydrophobicContact CD1-CD1 3.82Å; I100-I143 HydrophobicContact CD1-CG1 3.51Å; I100-I143 HydrophobicContact CG1-CD1 4.2Å; I100-I143 HydrophobicContact CG1-CG1 4.31Å |
| 101 | V | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 152.7 | -173.9 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | T12 V44 H46 T84 A99 Q103 S104 K139 | T12-V101 HydrophobicContact CG2-CG1 4.16Å; V44-V101 HydrophobicContact CB-CB 4.05Å; V44-V101 HydrophobicContact CB-CG2 4.5Å; V44-V101 HydrophobicContact CG1-CB 3.82Å; V44-V101 HydrophobicContact CG1-CG1 4.1Å; V44-V101 HydrophobicContact CG1-CG2 3.97Å; V44-V101 WeakPolarHBondContact O-CB 3.35Å; V44-V101 WeakPolarHBondContact O-CG2 3.37Å; V44-V101 PolarHBondContact O-N 2.86Å; H46-V101 HydrophobicContact CB-CG2 4.24Å; H46-V101 WeakPolarHBondContact CE1-CG2 3.32Å; H46-V101 VanDerWaalsContact CG-CG2 3.5Å; H46-V101 VanDerWaalsContact ND1-CG2 3.31Å; H46-V101 WeakPolarHBondContact ND1-CG2 3.39Å; T84-V101 HydrophobicContact CG2-CG2 4.47Å; T84-V101 WeakPolarHBondContact OG1-CA 3.42Å; A99-V101 PolarHBondContact O-N 2.82Å; V101-Q103 HydrophobicContact CG1-CB 4.42Å; V101-Q103 HydrophobicContact CG1-CG 4.45Å; V101-Q103 PolarHBondContact O-N 3.2Å; V101-Q103 VanDerWaalsContact O-N 3.16Å; V101-S104 VanDerWaalsContact O-CB 3.23Å; V101-S104 WeakPolarHBondContact O-CB 3.41Å; V101-S104 PolarHBondContact O-N 3.13Å; V101-K139 PolarHBondContact O-NZ 2.82Å |
| 102 | W | 94.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -33.5 | 175.3 | 69.2 | -96.8 | 0 | 0 | 0 | 113.8 | T12 E83 T84 S104 Y134 F269 F306 | T12-W102 HydrophobicContact CG2-CZ2 4.43Å; T12-W102 PolarHBondContact OG1-NE1 3.03Å; E83-W102 HydrophobicContact CB-CB 3.85Å; T84-W102 PolarHBondContact OG1-N 3.2Å; W102-S104 VanDerWaalsContact C-N 3.27Å; W102-S104 PolarHBondContact O-N 3.47Å; W102-Y134 HydrophobicContact CB-CD2 3.95Å; W102-Y134 HydrophobicContact CB-CE2 3.74Å; W102-Y134 HydrophobicContact CD2-CE2 4.04Å; W102-Y134 AromaticContact CE3-CD2 3.97Å; W102-Y134 HydrophobicContact CE3-CD2 3.97Å; W102-Y134 AromaticContact CE3-CE2 3.54Å; W102-Y134 HydrophobicContact CE3-CE2 3.54Å; W102-Y134 HydrophobicContact CG-CE2 4.17Å; W102-Y134 HydrophobicContact CZ3-CE2 4.46Å; W102-F269 HydrophobicContact CH2-CZ 4.24Å; W102-F269 HydrophobicContact CZ3-CZ 4.49Å; W102-F306 AromaticContact CZ3-CD1 3.98Å; W102-F306 HydrophobicContact CZ3-CD1 3.98Å |
| 103 | Q | 90.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20 | 177.2 | -63.4 | -179.3 | -42 | 0 | 0 | 114.1 | V44 V101 K105 | V44-Q103 HydrophobicContact CB-CB 4.11Å; V44-Q103 HydrophobicContact CG1-CB 4.35Å; V44-Q103 HydrophobicContact CG2-CB 3.81Å; V101-Q103 HydrophobicContact CG1-CB 4.42Å; V101-Q103 HydrophobicContact CG1-CG 4.45Å; V101-Q103 PolarHBondContact O-N 3.2Å; V101-Q103 VanDerWaalsContact O-N 3.16Å; Q103-K105 PolarHBondContact O-N 3.37Å |
| 104 | S | 93.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -67.2 | 131.3 | -172.8 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | V44 V101 W102 Q106 | V44-S104 PolarHBondContact N-OG 3.34Å; V44-S104 WeakPolarHBondContact O-CB 3.29Å; V101-S104 VanDerWaalsContact O-CB 3.23Å; V101-S104 WeakPolarHBondContact O-CB 3.41Å; V101-S104 PolarHBondContact O-N 3.13Å; W102-S104 VanDerWaalsContact C-N 3.27Å; W102-S104 PolarHBondContact O-N 3.47Å; S104-Q106 WeakPolarHBondContact OG-CG 3.29Å; S104-Q106 PolarHBondContact OG-N 2.94Å; S104-Q106 PolarHBondContact OG-OE1 3.46Å | ||
| 105 | K | 91.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 14% | 0.143 | 16% | 0.156 | C | C | . | . | trans | -97 | 11.4 | 173.2 | -61.7 | -57 | -175.2 | -176 | 0 | 112.9 | G42 Q103 T107 S108 D132 S133 T348 | G42-K105 PolarHBondContact O-N 3.3Å; Q103-K105 PolarHBondContact O-N 3.37Å; K105-T107 PolarHBondContact O-N 3.18Å; K105-S108 WeakPolarHBondContact O-CB 3.4Å; K105-S108 PolarHBondContact O-N 2.9Å; K105-S108 VanDerWaalsContact O-N 3.16Å; K105-S108 PolarHBondContact O-OG 3.25Å; K105-D132 IonicContact NZ-OD1 3.78Å; K105-D132 PolarHBondContact NZ-OD1 3.34Å; K105-D132 VanDerWaalsContact NZ-OD1 3.16Å; K105-S133 WeakPolarHBondContact CD-OG 3.43Å; K105-S133 PolarHBondContact NZ-OG 3.28Å; K105-T348 VanDerWaalsContact CE-O 3.23Å; K105-T348 WeakPolarHBondContact CE-O 3.46Å | ||
| 106 | Q | 95.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.1 | -179.6 | 76.6 | -168.9 | 77 | 0 | 0 | 114.4 | W43 I100 S104 | W43-Q106 HydrophobicContact CD2-CB 3.53Å; W43-Q106 HydrophobicContact CE3-CB 4.12Å; W43-Q106 HydrophobicContact CG-CB 3.75Å; W43-Q106 HydrophobicContact CZ2-CB 3.93Å; I100-Q106 HydrophobicContact CD1-CG 4.43Å; I100-Q106 HydrophobicContact CG2-CG 4.05Å; I100-Q106 VanDerWaalsContact CG2-OE1 3.31Å; S104-Q106 WeakPolarHBondContact OG-CG 3.29Å; S104-Q106 PolarHBondContact OG-N 2.94Å; S104-Q106 PolarHBondContact OG-OE1 3.46Å |
| 107 | T | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 14.3 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | K105 D109 I110 A111 S133 T138 K139 W142 | K105-T107 PolarHBondContact O-N 3.18Å; T107-D109 VanDerWaalsContact C-N 3.31Å; T107-D109 PolarHBondContact O-N 2.8Å; T107-I110 HydrophobicContact CG2-CD1 4.49Å; T107-I110 PolarHBondContact O-N 3.25Å; T107-A111 PolarHBondContact O-N 2.96Å; T107-A111 VanDerWaalsContact O-N 3.09Å; T107-S133 WeakPolarHBondContact OG1-CA 3.38Å; T107-S133 WeakPolarHBondContact OG1-CB 3.25Å; T107-T138 WeakPolarHBondContact CB-OG1 3.23Å; T107-T138 WeakPolarHBondContact CG2-O 3.28Å; T107-T138 PolarHBondContact OG1-OG1 2.83Å; T107-K139 HydrophobicContact CG2-CG 4.31Å; T107-W142 HydrophobicContact CG2-CB 3.6Å; T107-W142 HydrophobicContact CG2-CG 3.87Å |
| 108 | S | 94 | Very high | 96.3 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 179.1 | -75.6 | 0 | 0 | 0 | 0 | 112.3 | K105 I110 A111 D112 S133 Q357 | K105-S108 WeakPolarHBondContact O-CB 3.4Å; K105-S108 PolarHBondContact O-N 2.9Å; K105-S108 VanDerWaalsContact O-N 3.16Å; K105-S108 PolarHBondContact O-OG 3.25Å; S108-I110 VanDerWaalsContact C-N 3.31Å; S108-I110 PolarHBondContact O-N 2.81Å; S108-A111 CarbonylContact O-C 3.58Å; S108-A111 WeakPolarHBondContact O-CB 3.37Å; S108-A111 PolarHBondContact O-N 2.81Å; S108-A111 VanDerWaalsContact O-N 3.1Å; S108-D112 WeakPolarHBondContact O-CB 3.38Å; S108-D112 PolarHBondContact O-N 2.84Å; S108-S133 PolarHBondContact OG-OG 3.36Å; S108-S133 VanDerWaalsContact OG-OG 3.06Å; S108-Q357 PolarHBondContact OG-OE1 3.4Å |
| 109 | D | 95.3 | Very high | 96.2 | Very high | 133 Ų | 133 | 41.2 Ų | 41.2 | 71% | 0.711 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.8 | -38.8 | 178.5 | -59.8 | -15 | 0 | 0 | 0 | 111.9 | T107 D112 E113 | T107-D109 VanDerWaalsContact C-N 3.31Å; T107-D109 PolarHBondContact O-N 2.8Å; D109-D112 PolarHBondContact O-N 3.5Å; D109-E113 WeakPolarHBondContact O-CB 3.32Å; D109-E113 PolarHBondContact O-N 2.74Å |
| 110 | I | 97.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 175 | -60.2 | 172.3 | 0 | 0 | 0 | 110.1 | T107 S108 L114 T138 K141 W142 | T107-I110 HydrophobicContact CG2-CD1 4.49Å; T107-I110 PolarHBondContact O-N 3.25Å; S108-I110 VanDerWaalsContact C-N 3.31Å; S108-I110 PolarHBondContact O-N 2.81Å; I110-L114 HydrophobicContact CG2-CD1 4.27Å; I110-L114 WeakPolarHBondContact O-CD1 3.35Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.29Å; I110-L114 PolarHBondContact O-N 2.79Å; I110-L114 VanDerWaalsContact O-N 3.16Å; I110-T138 HydrophobicContact CB-CG2 4.48Å; I110-T138 HydrophobicContact CG2-CG2 3.95Å; I110-K141 HydrophobicContact CD1-CG 4.26Å; I110-K141 HydrophobicContact CG2-CD 3.84Å; I110-W142 HydrophobicContact CD1-CB 3.85Å; I110-W142 HydrophobicContact CD1-CG 4.35Å |
| 111 | A | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T107 S108 K115 I131 T138 | T107-A111 PolarHBondContact O-N 2.96Å; T107-A111 VanDerWaalsContact O-N 3.09Å; S108-A111 CarbonylContact O-C 3.58Å; S108-A111 WeakPolarHBondContact O-CB 3.37Å; S108-A111 PolarHBondContact O-N 2.81Å; S108-A111 VanDerWaalsContact O-N 3.1Å; A111-K115 WeakPolarHBondContact O-CE 2.88Å; A111-K115 WeakPolarHBondContact O-CG 3.27Å; A111-K115 PolarHBondContact O-N 3.36Å; A111-K115 VanDerWaalsContact O-N 3.14Å; A111-I131 HydrophobicContact CB-CG2 4.01Å; A111-I131 VanDerWaalsContact O-CG2 3.24Å; A111-I131 WeakPolarHBondContact O-CG2 3.34Å; A111-T138 HydrophobicContact CB-CG2 4.41Å |
| 112 | D | 95.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 177.7 | -71.6 | -14.4 | 0 | 0 | 0 | 111.1 | S108 D109 L114 K115 E116 | S108-D112 WeakPolarHBondContact O-CB 3.38Å; S108-D112 PolarHBondContact O-N 2.84Å; D109-D112 PolarHBondContact O-N 3.5Å; D112-L114 PolarHBondContact O-N 3.19Å; D112-K115 WeakPolarHBondContact O-CB 3.48Å; D112-K115 PolarHBondContact O-N 2.92Å; D112-K115 VanDerWaalsContact O-N 3.14Å; D112-K115 WeakPolarHBondContact OD1-CE 3.35Å; D112-K115 IonicContact OD1-NZ 3.59Å; D112-K115 PolarHBondContact OD1-NZ 2.64Å; D112-E116 WeakPolarHBondContact O-CG 3.3Å; D112-E116 PolarHBondContact O-N 2.86Å |
| 113 | E | 97.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 49.4 Ų | 49.4 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.4 | -178.3 | 177.7 | -172.3 | 0 | 0 | 112.2 | D109 K115 E116 Q117 | D109-E113 WeakPolarHBondContact O-CB 3.32Å; D109-E113 PolarHBondContact O-N 2.74Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.14Å; E113-E116 PolarHBondContact O-N 2.81Å; E113-Q117 VanDerWaalsContact CG-NE2 3.3Å; E113-Q117 WeakPolarHBondContact O-CB 3.26Å; E113-Q117 VanDerWaalsContact O-CG 3.26Å; E113-Q117 WeakPolarHBondContact O-CG 3.16Å; E113-Q117 PolarHBondContact O-N 3.4Å; E113-Q117 PolarHBondContact OE1-NE2 3.42Å; E113-Q117 VanDerWaalsContact OE1-NE2 3.07Å |
| 114 | L | 98.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 177.6 | -68.7 | 165.5 | 0 | 0 | 0 | 112.7 | I110 D112 G118 H119 I131 T138 M189 L205 L206 | I110-L114 HydrophobicContact CG2-CD1 4.27Å; I110-L114 WeakPolarHBondContact O-CD1 3.35Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.29Å; I110-L114 PolarHBondContact O-N 2.79Å; I110-L114 VanDerWaalsContact O-N 3.16Å; D112-L114 PolarHBondContact O-N 3.19Å; L114-G118 PolarHBondContact O-N 3.17Å; L114-H119 WeakPolarHBondContact O-CB 3.26Å; L114-H119 PolarHBondContact O-N 2.87Å; L114-H119 VanDerWaalsContact O-N 3.16Å; L114-I131 HydrophobicContact CB-CD1 4.05Å; L114-I131 HydrophobicContact CB-CG2 3.92Å; L114-I131 HydrophobicContact CD1-CG2 4.21Å; L114-T138 HydrophobicContact CD1-CG2 4.24Å; L114-M189 HydrophobicContact CD1-CE 4.41Å; L114-L205 HydrophobicContact CD2-CD1 4.31Å; L114-L205 HydrophobicContact CD2-CD2 3.93Å; L114-L205 HydrophobicContact CD2-CG 4.02Å; L114-L206 HydrophobicContact CD1-CD2 3.74Å; L114-L206 HydrophobicContact CD2-CD2 3.92Å; L114-L206 HydrophobicContact CG-CD2 4.37Å |
| 115 | K | 96.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 32% | 0.317 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 174.5 | -76.2 | 177.2 | -76.6 | 172.5 | 0 | 110.9 | A111 D112 E113 Q117 G118 I131 | A111-K115 WeakPolarHBondContact O-CE 2.88Å; A111-K115 WeakPolarHBondContact O-CG 3.27Å; A111-K115 PolarHBondContact O-N 3.36Å; A111-K115 VanDerWaalsContact O-N 3.14Å; D112-K115 WeakPolarHBondContact O-CB 3.48Å; D112-K115 PolarHBondContact O-N 2.92Å; D112-K115 VanDerWaalsContact O-N 3.14Å; D112-K115 WeakPolarHBondContact OD1-CE 3.35Å; D112-K115 IonicContact OD1-NZ 3.59Å; D112-K115 PolarHBondContact OD1-NZ 2.64Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.14Å; K115-Q117 VanDerWaalsContact C-N 3.25Å; K115-Q117 PolarHBondContact O-N 3.38Å; K115-G118 PolarHBondContact O-N 2.84Å; K115-I131 HydrophobicContact CD-CB 4.28Å; K115-I131 HydrophobicContact CD-CG2 4.47Å; K115-I131 HydrophobicContact CG-CB 3.78Å; K115-I131 HydrophobicContact CG-CD1 4.34Å; K115-I131 HydrophobicContact CG-CG2 3.9Å |
| 116 | E | 97.2 | Very high | 97.2 | Very high | 170 Ų | 170 | 55.9 Ų | 55.9 | 79% | 0.794 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | 177.6 | -72.1 | 178.8 | 179.7 | 0 | 0 | 112.6 | D112 E113 G118 | D112-E116 WeakPolarHBondContact O-CG 3.3Å; D112-E116 PolarHBondContact O-N 2.86Å; E113-E116 PolarHBondContact O-N 2.81Å; E116-G118 PolarHBondContact O-N 3.22Å |
| 117 | Q | 97.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3.5 | 174.6 | -69.3 | 172.2 | 5.2 | 0 | 0 | 113.8 | E113 K115 | E113-Q117 VanDerWaalsContact CG-NE2 3.3Å; E113-Q117 WeakPolarHBondContact O-CB 3.26Å; E113-Q117 VanDerWaalsContact O-CG 3.26Å; E113-Q117 WeakPolarHBondContact O-CG 3.16Å; E113-Q117 PolarHBondContact O-N 3.4Å; E113-Q117 PolarHBondContact OE1-NE2 3.42Å; E113-Q117 VanDerWaalsContact OE1-NE2 3.07Å; K115-Q117 VanDerWaalsContact C-N 3.25Å; K115-Q117 PolarHBondContact O-N 3.38Å |
| 118 | G | 98 | Very high | 97.4 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 21.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L114 K115 E116 S120 | L114-G118 PolarHBondContact O-N 3.17Å; K115-G118 PolarHBondContact O-N 2.84Å; E116-G118 PolarHBondContact O-N 3.22Å; G118-S120 VanDerWaalsContact C-N 3.34Å; G118-S120 PolarHBondContact O-N 2.95Å |
| 119 | H | 98.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 22% | 0.218 | 28% | 0.281 | C | S | . | . | trans | -82.9 | -4.8 | -177.1 | -64.9 | -59.2 | 0 | 0 | 0 | 114.9 | L114 D121 M122 I123 I131 L205 | L114-H119 WeakPolarHBondContact O-CB 3.26Å; L114-H119 PolarHBondContact O-N 2.87Å; L114-H119 VanDerWaalsContact O-N 3.16Å; H119-D121 PolarHBondContact O-N 2.52Å; H119-M122 HydrophobicContact CB-CE 4.45Å; H119-M122 PolarHBondContact O-N 2.77Å; H119-M122 VanDerWaalsContact O-N 3.16Å; H119-I123 HydrophobicContact CB-CG1 4.5Å; H119-I123 WeakPolarHBondContact O-CG1 3.09Å; H119-I123 PolarHBondContact O-N 3.16Å; H119-I131 HydrophobicContact CB-CD1 4.02Å; H119-L205 HydrophobicContact CB-CD2 4.22Å; H119-L205 WeakPolarHBondContact NE2-CD1 3.24Å | ||
| 120 | S | 97.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -53.6 | -51.1 | -173.7 | -57.4 | 0 | 0 | 0 | 0 | 113.5 | G118 M122 I123 Q124 | G118-S120 VanDerWaalsContact C-N 3.34Å; G118-S120 PolarHBondContact O-N 2.95Å; S120-M122 VanDerWaalsContact C-N 3.33Å; S120-M122 PolarHBondContact O-N 3.49Å; S120-I123 PolarHBondContact O-N 2.91Å; S120-Q124 WeakPolarHBondContact O-CB 3.41Å; S120-Q124 PolarHBondContact O-N 2.92Å |
| 121 | D | 97.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | -180 | -79.9 | 18.8 | 0 | 0 | 0 | 112.6 | H119 K125 | H119-D121 PolarHBondContact O-N 2.52Å; D121-K125 VanDerWaalsContact O-CB 3.3Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 WeakPolarHBondContact O-CD 3.45Å; D121-K125 VanDerWaalsContact O-CG 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.28Å; D121-K125 PolarHBondContact O-N 3.33Å |
| 122 | M | 98.2 | Very high | 97.5 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -48.2 | -178.9 | 178 | -82.1 | -78.7 | 0 | 0 | 110.2 | H119 S120 Q124 K125 K126 I202 L205 | H119-M122 HydrophobicContact CB-CE 4.45Å; H119-M122 PolarHBondContact O-N 2.77Å; H119-M122 VanDerWaalsContact O-N 3.16Å; S120-M122 VanDerWaalsContact C-N 3.33Å; S120-M122 PolarHBondContact O-N 3.49Å; M122-Q124 PolarHBondContact O-N 3.41Å; M122-K125 PolarHBondContact O-N 3.48Å; M122-K126 HydrophobicContact CG-CD 4.12Å; M122-K126 WeakPolarHBondContact O-CG 3.49Å; M122-K126 PolarHBondContact O-N 2.95Å; M122-K126 HydrophobicContact SD-CD 3.45Å; M122-K126 WeakPolarHBondContact SD-CD 3.37Å; M122-K126 WeakPolarHBondContact SD-CE 3.46Å; M122-I202 HydrophobicContact CE-CG1 4.43Å; M122-I202 HydrophobicContact SD-CG1 4.03Å; M122-L205 HydrophobicContact CE-CD2 3.64Å |
| 123 | I | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 178.2 | -67.2 | -64.5 | 0 | 0 | 0 | 110.5 | H119 S120 K125 K126 T127 I131 M189 I202 | H119-I123 HydrophobicContact CB-CG1 4.5Å; H119-I123 WeakPolarHBondContact O-CG1 3.09Å; H119-I123 PolarHBondContact O-N 3.16Å; S120-I123 PolarHBondContact O-N 2.91Å; I123-K125 PolarHBondContact O-N 3.49Å; I123-K126 PolarHBondContact O-N 3.18Å; I123-T127 HydrophobicContact CG2-CG2 4.48Å; I123-T127 WeakPolarHBondContact O-CB 3.32Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.24Å; I123-I131 HydrophobicContact CB-CD1 4.23Å; I123-I131 HydrophobicContact CB-CG1 3.95Å; I123-I131 HydrophobicContact CG1-CD1 3.81Å; I123-I131 HydrophobicContact CG1-CG1 3.91Å; I123-I131 HydrophobicContact CG2-CG1 3.99Å; I123-M189 HydrophobicContact CG2-CG 3.58Å; I123-M189 HydrophobicContact CG2-SD 3.91Å; I123-I202 HydrophobicContact CD1-CB 4.43Å; I123-I202 HydrophobicContact CD1-CD1 3.7Å; I123-I202 HydrophobicContact CD1-CG1 3.74Å; I123-I202 HydrophobicContact CD1-CG2 3.93Å |
| 124 | Q | 97.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | -178.2 | -156.1 | -166.8 | 10.9 | 0 | 0 | 112.1 | S120 M122 K126 G128 L129 L130 L280 S281 | S120-Q124 WeakPolarHBondContact O-CB 3.41Å; S120-Q124 PolarHBondContact O-N 2.92Å; M122-Q124 PolarHBondContact O-N 3.41Å; Q124-K126 PolarHBondContact O-N 3.09Å; Q124-G128 WeakPolarHBondContact O-CA 3.33Å; Q124-G128 PolarHBondContact O-N 3.3Å; Q124-L129 VanDerWaalsContact CA-O 3.24Å; Q124-L129 WeakPolarHBondContact CA-O 3.06Å; Q124-L130 HydrophobicContact CG-CD2 4.36Å; Q124-L280 HydrophobicContact CG-CD1 3.89Å; Q124-S281 PolarHBondContact NE2-O 2.87Å |
| 125 | K | 97.7 | Very high | 97.4 | Very high | 130 Ų | 130 | 42.3 Ų | 42.3 | 57% | 0.565 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.8 | -19.8 | 178.6 | -76.1 | 171 | -177.5 | 161.5 | 0 | 114.4 | D121 M122 I123 Y194 | D121-K125 VanDerWaalsContact O-CB 3.3Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 WeakPolarHBondContact O-CD 3.45Å; D121-K125 VanDerWaalsContact O-CG 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.28Å; D121-K125 PolarHBondContact O-N 3.33Å; M122-K125 PolarHBondContact O-N 3.48Å; I123-K125 PolarHBondContact O-N 3.49Å; K125-Y194 WeakPolarHBondContact O-CD2 3.21Å; K125-Y194 WeakPolarHBondContact O-CE2 3.44Å |
| 126 | K | 98.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 38.9 Ų | 38.9 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -98.3 | -41.1 | 177.7 | -70.7 | 165 | 176.7 | -89 | 0 | 112.5 | M122 I123 Q124 N192 I193 Y194 D199 E201 I202 | M122-K126 HydrophobicContact CG-CD 4.12Å; M122-K126 WeakPolarHBondContact O-CG 3.49Å; M122-K126 PolarHBondContact O-N 2.95Å; M122-K126 HydrophobicContact SD-CD 3.45Å; M122-K126 WeakPolarHBondContact SD-CD 3.37Å; M122-K126 WeakPolarHBondContact SD-CE 3.46Å; I123-K126 PolarHBondContact O-N 3.18Å; Q124-K126 PolarHBondContact O-N 3.09Å; K126-N192 CarbonylContact O-C 3.45Å; K126-N192 VanDerWaalsContact O-CA 3.29Å; K126-N192 WeakPolarHBondContact O-CA 3.38Å; K126-N192 PolarHBondContact O-OD1 3.11Å; K126-I193 PolarHBondContact O-N 3.39Å; K126-Y194 WeakPolarHBondContact O-CD2 3.46Å; K126-D199 WeakPolarHBondContact CD-OD2 3.5Å; K126-D199 VanDerWaalsContact NZ-CG 3.31Å; K126-D199 IonicContact NZ-OD1 2.98Å; K126-D199 PolarHBondContact NZ-OD1 3.13Å; K126-D199 IonicContact NZ-OD2 3.75Å; K126-D199 PolarHBondContact NZ-OD2 3.04Å; K126-E201 WeakPolarHBondContact CE-OE2 3.31Å; K126-E201 IonicContact NZ-OE2 3.03Å; K126-E201 PolarHBondContact NZ-OE2 3.39Å; K126-I202 HydrophobicContact CB-CD1 4.24Å; K126-I202 HydrophobicContact CD-CD1 4.04Å; K126-I202 HydrophobicContact CD-CG1 4.14Å |
| 127 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -107.5 | -18.7 | -168.5 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | I123 L129 I193 I202 | I123-T127 HydrophobicContact CG2-CG2 4.48Å; I123-T127 WeakPolarHBondContact O-CB 3.32Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 3.24Å; T127-L129 PolarHBondContact O-N 3.37Å; T127-L129 WeakPolarHBondContact OG1-CB 3.39Å; T127-L129 PolarHBondContact OG1-N 2.82Å; T127-L129 VanDerWaalsContact OG1-N 3.11Å; T127-I193 WeakPolarHBondContact O-CG2 3.32Å; T127-I202 HydrophobicContact CG2-CD1 3.53Å |
| 128 | G | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 74.2 | -0.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q124 T287 | Q124-G128 WeakPolarHBondContact O-CA 3.33Å; Q124-G128 PolarHBondContact O-N 3.3Å; G128-T287 CarbonylContact C-O 3.6Å; G128-T287 VanDerWaalsContact CA-O 3.3Å; G128-T287 WeakPolarHBondContact CA-O 3.29Å; G128-T287 PolarHBondContact O-N 2.65Å |
| 129 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -100.7 | 160.9 | -176 | -48.7 | -178.6 | 0 | 0 | 0 | 112.2 | Q124 T127 F135 S186 M189 L286 | Q124-L129 VanDerWaalsContact CA-O 3.24Å; Q124-L129 WeakPolarHBondContact CA-O 3.06Å; T127-L129 PolarHBondContact O-N 3.37Å; T127-L129 WeakPolarHBondContact OG1-CB 3.39Å; T127-L129 PolarHBondContact OG1-N 2.82Å; T127-L129 VanDerWaalsContact OG1-N 3.11Å; L129-F135 HydrophobicContact CB-CD2 4.38Å; L129-F135 HydrophobicContact CB-CE1 4.43Å; L129-F135 HydrophobicContact CB-CE2 4Å; L129-F135 HydrophobicContact CB-CZ 4.01Å; L129-F135 HydrophobicContact CD1-CD1 3.65Å; L129-F135 HydrophobicContact CD1-CD2 4.26Å; L129-F135 HydrophobicContact CD1-CE1 3.82Å; L129-F135 HydrophobicContact CD1-CE2 4.43Å; L129-F135 HydrophobicContact CD1-CG 3.87Å; L129-F135 HydrophobicContact CD1-CZ 4.21Å; L129-F135 HydrophobicContact CD2-CE1 4.05Å; L129-F135 HydrophobicContact CD2-CZ 4.22Å; L129-F135 HydrophobicContact CG-CE1 4.33Å; L129-F135 HydrophobicContact CG-CZ 4.38Å; L129-S186 WeakPolarHBondContact CD1-O 3.44Å; L129-M189 HydrophobicContact CD1-CB 4.01Å; L129-M189 HydrophobicContact CD1-CG 4.47Å; L129-L286 HydrophobicContact CD2-CB 4.24Å; L129-L286 HydrophobicContact CD2-CD1 4.48Å; L129-L286 HydrophobicContact CD2-CD2 4.35Å | ||
| 130 | L | 96.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 21 Ų | 21 | 22% | 0.215 | 11% | 0.105 | C | C | . | . | trans | -88 | 164.6 | 167.2 | -57 | 179.7 | 0 | 0 | 0 | 110.6 | Q124 D132 F135 L286 W355 | Q124-L130 HydrophobicContact CG-CD2 4.36Å; L130-D132 PolarHBondContact O-N 2.85Å; L130-F135 VanDerWaalsContact O-CD2 3.29Å; L130-F135 WeakPolarHBondContact O-CD2 3.33Å; L130-F135 WeakPolarHBondContact O-CE2 3.43Å; L130-L286 HydrophobicContact CG-CD2 4.27Å; L130-W355 HydrophobicContact CD1-CB 4.41Å; L130-W355 HydrophobicContact CD1-CD2 3.76Å; L130-W355 HydrophobicContact CD1-CG 3.6Å; L130-W355 HydrophobicContact CD1-CZ2 4.45Å | ||
| 131 | I | 96.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.046 | 10% | 0.099 | C | C | . | . | trans | -84.2 | 108 | 172.5 | -59.2 | 179.3 | 0 | 0 | 0 | 109.1 | A111 L114 K115 H119 I123 | A111-I131 HydrophobicContact CB-CG2 4.01Å; A111-I131 VanDerWaalsContact O-CG2 3.24Å; A111-I131 WeakPolarHBondContact O-CG2 3.34Å; L114-I131 HydrophobicContact CB-CD1 4.05Å; L114-I131 HydrophobicContact CB-CG2 3.92Å; L114-I131 HydrophobicContact CD1-CG2 4.21Å; K115-I131 HydrophobicContact CD-CB 4.28Å; K115-I131 HydrophobicContact CD-CG2 4.47Å; K115-I131 HydrophobicContact CG-CB 3.78Å; K115-I131 HydrophobicContact CG-CD1 4.34Å; K115-I131 HydrophobicContact CG-CG2 3.9Å; H119-I131 HydrophobicContact CB-CD1 4.02Å; I123-I131 HydrophobicContact CB-CD1 4.23Å; I123-I131 HydrophobicContact CB-CG1 3.95Å; I123-I131 HydrophobicContact CG1-CD1 3.81Å; I123-I131 HydrophobicContact CG1-CG1 3.91Å; I123-I131 HydrophobicContact CG2-CG1 3.99Å | ||
| 132 | D | 95.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | trans | -145.4 | 159.4 | 177.5 | -163.2 | -87.5 | 0 | 0 | 0 | 110.8 | K105 L130 Y134 F135 W355 Q357 | K105-D132 IonicContact NZ-OD1 3.78Å; K105-D132 PolarHBondContact NZ-OD1 3.34Å; K105-D132 VanDerWaalsContact NZ-OD1 3.16Å; L130-D132 PolarHBondContact O-N 2.85Å; D132-Y134 PolarHBondContact O-N 2.89Å; D132-Y134 WeakPolarHBondContact OD1-CB 3.42Å; D132-Y134 PolarHBondContact OD1-N 3.37Å; D132-F135 HydrophobicContact CB-CD2 4.39Å; D132-F135 HydrophobicContact CB-CE2 4.19Å; D132-W355 HydrophobicContact CB-CE3 4.33Å; D132-W355 HydrophobicContact CB-CZ3 4.21Å; D132-Q357 WeakPolarHBondContact OD2-CG 3.39Å; D132-Q357 PolarHBondContact OD2-NE2 2.88Å | ||
| 133 | S | 95.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.8 | 171.3 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | K105 T107 S108 F135 K139 Q357 | K105-S133 WeakPolarHBondContact CD-OG 3.43Å; K105-S133 PolarHBondContact NZ-OG 3.28Å; T107-S133 WeakPolarHBondContact OG1-CA 3.38Å; T107-S133 WeakPolarHBondContact OG1-CB 3.25Å; S108-S133 PolarHBondContact OG-OG 3.36Å; S108-S133 VanDerWaalsContact OG-OG 3.06Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.49Å; S133-K139 WeakPolarHBondContact O-CE 3.33Å; S133-K139 PolarHBondContact O-NZ 3.04Å; S133-Q357 PolarHBondContact OG-OE1 2.81Å |
| 134 | Y | 95.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -42.5 | 175 | -176.1 | -153 | 0 | 0 | 0 | 112.9 | R82 E83 W102 D132 K139 R187 L286 F306 W355 | R82-Y134 PolarHBondContact NH2-OH 3.06Å; E83-Y134 VanDerWaalsContact CB-O 3.3Å; E83-Y134 WeakPolarHBondContact CB-O 3.33Å; E83-Y134 VanDerWaalsContact CD-CZ 3.48Å; E83-Y134 HydrophobicContact CG-CD2 4.26Å; E83-Y134 HydrophobicContact CG-CE2 4.02Å; E83-Y134 PolarHBondContact OE1-OH 3.04Å; E83-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E83-Y134 VanDerWaalsContact OE2-CZ 3.23Å; E83-Y134 PolarHBondContact OE2-OH 3.26Å; W102-Y134 HydrophobicContact CB-CD2 3.95Å; W102-Y134 HydrophobicContact CB-CE2 3.74Å; W102-Y134 HydrophobicContact CD2-CE2 4.04Å; W102-Y134 AromaticContact CE3-CD2 3.97Å; W102-Y134 HydrophobicContact CE3-CD2 3.97Å; W102-Y134 AromaticContact CE3-CE2 3.54Å; W102-Y134 HydrophobicContact CE3-CE2 3.54Å; W102-Y134 HydrophobicContact CG-CE2 4.17Å; W102-Y134 HydrophobicContact CZ3-CE2 4.46Å; D132-Y134 PolarHBondContact O-N 2.89Å; D132-Y134 WeakPolarHBondContact OD1-CB 3.42Å; D132-Y134 PolarHBondContact OD1-N 3.37Å; Y134-K139 WeakPolarHBondContact O-CE 3.4Å; Y134-K139 PolarHBondContact O-NZ 3.26Å; Y134-R187 PolarHBondContact OH-NH2 3.13Å; Y134-L286 HydrophobicContact CE1-CD1 4.44Å; Y134-F306 HydrophobicContact CD1-CE1 4.25Å; Y134-F306 HydrophobicContact CE1-CE1 4.33Å; Y134-F306 HydrophobicContact CG-CE1 4.44Å; Y134-W355 HydrophobicContact CD1-CH2 4.06Å; Y134-W355 HydrophobicContact CD1-CZ3 4.2Å |
| 135 | F | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -88.8 | 157.8 | -169.3 | -50.7 | -65.9 | 0 | 0 | 0 | 114.5 | E83 L129 L130 D132 S133 A137 T138 R187 M189 L286 W355 | E83-F135 HydrophobicContact CG-CD1 3.94Å; L129-F135 HydrophobicContact CB-CD2 4.38Å; L129-F135 HydrophobicContact CB-CE1 4.43Å; L129-F135 HydrophobicContact CB-CE2 4Å; L129-F135 HydrophobicContact CB-CZ 4.01Å; L129-F135 HydrophobicContact CD1-CD1 3.65Å; L129-F135 HydrophobicContact CD1-CD2 4.26Å; L129-F135 HydrophobicContact CD1-CE1 3.82Å; L129-F135 HydrophobicContact CD1-CE2 4.43Å; L129-F135 HydrophobicContact CD1-CG 3.87Å; L129-F135 HydrophobicContact CD1-CZ 4.21Å; L129-F135 HydrophobicContact CD2-CE1 4.05Å; L129-F135 HydrophobicContact CD2-CZ 4.22Å; L129-F135 HydrophobicContact CG-CE1 4.33Å; L129-F135 HydrophobicContact CG-CZ 4.38Å; L130-F135 VanDerWaalsContact O-CD2 3.29Å; L130-F135 WeakPolarHBondContact O-CD2 3.33Å; L130-F135 WeakPolarHBondContact O-CE2 3.43Å; D132-F135 HydrophobicContact CB-CD2 4.39Å; D132-F135 HydrophobicContact CB-CE2 4.19Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-F135 PolarHBondContact O-N 3.49Å; F135-A137 PolarHBondContact O-N 2.84Å; F135-T138 PolarHBondContact O-OG1 3.31Å; F135-R187 WeakPolarHBondContact CD1-O 3.3Å; F135-M189 HydrophobicContact CB-CB 3.77Å; F135-M189 HydrophobicContact CD2-SD 4.28Å; F135-M189 HydrophobicContact CG-CB 4.34Å; F135-L286 HydrophobicContact CE1-CD1 4.03Å; F135-L286 HydrophobicContact CZ-CD1 3.8Å; F135-L286 HydrophobicContact CZ-CD2 3.84Å; F135-L286 HydrophobicContact CZ-CG 4.49Å; F135-W355 HydrophobicContact CZ-CH2 4.31Å |
| 136 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63 | -35.6 | -169.9 | -48.3 | 0 | 0 | 0 | 0 | 114.9 | E83 T85 T138 K139 V140 T188 | E83-S136 WeakPolarHBondContact CA-OG 3.4Å; E83-S136 PolarHBondContact O-OG 3.37Å; T85-S136 WeakPolarHBondContact OG1-CA 3.48Å; T85-S136 VanDerWaalsContact OG1-CB 3.26Å; T85-S136 WeakPolarHBondContact OG1-CB 3.24Å; S136-T138 VanDerWaalsContact C-N 3.32Å; S136-T138 PolarHBondContact O-N 2.8Å; S136-K139 CarbonylContact O-C 3.5Å; S136-K139 WeakPolarHBondContact O-CA 3.23Å; S136-K139 VanDerWaalsContact O-CB 3.29Å; S136-K139 WeakPolarHBondContact O-CB 3Å; S136-K139 PolarHBondContact O-N 3.47Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.42Å; S136-T188 PolarHBondContact N-O 3.36Å |
| 137 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.6 | -45.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F135 K139 V140 K141 T188 M189 M190 L206 | F135-A137 PolarHBondContact O-N 2.84Å; A137-K139 VanDerWaalsContact C-N 3.3Å; A137-K139 PolarHBondContact O-N 2.8Å; A137-V140 PolarHBondContact O-N 2.86Å; A137-K141 PolarHBondContact O-N 3.17Å; A137-T188 VanDerWaalsContact CB-O 3.27Å; A137-T188 WeakPolarHBondContact CB-O 3.39Å; A137-T188 PolarHBondContact N-O 3.44Å; A137-M189 HydrophobicContact CB-CB 3.92Å; A137-M189 HydrophobicContact CB-CE 3.66Å; A137-M190 HydrophobicContact CB-CG 3.54Å; A137-M190 HydrophobicContact CB-SD 4.21Å; A137-L206 HydrophobicContact CB-CD1 3.55Å |
| 138 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.3 | -30.5 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | T107 I110 A111 L114 F135 S136 W142 M189 | T107-T138 WeakPolarHBondContact CB-OG1 3.23Å; T107-T138 WeakPolarHBondContact CG2-O 3.28Å; T107-T138 PolarHBondContact OG1-OG1 2.83Å; I110-T138 HydrophobicContact CB-CG2 4.48Å; I110-T138 HydrophobicContact CG2-CG2 3.95Å; A111-T138 HydrophobicContact CB-CG2 4.41Å; L114-T138 HydrophobicContact CD1-CG2 4.24Å; F135-T138 PolarHBondContact O-OG1 3.31Å; S136-T138 VanDerWaalsContact C-N 3.32Å; S136-T138 PolarHBondContact O-N 2.8Å; T138-W142 VanDerWaalsContact O-CB 3.29Å; T138-W142 WeakPolarHBondContact O-CB 3.48Å; T138-W142 PolarHBondContact O-N 3.24Å; T138-M189 HydrophobicContact CG2-CE 4.12Å |
| 139 | K | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -43.2 | 176.1 | -52.7 | 175.6 | -165.5 | -67.6 | 0 | 111.3 | T85 I100 V101 T107 S133 Y134 S136 A137 W142 I143 | T85-K139 HydrophobicContact CG2-CB 4.09Å; I100-K139 HydrophobicContact CB-CB 4.1Å; I100-K139 HydrophobicContact CB-CD 4.16Å; I100-K139 HydrophobicContact CB-CG 4.27Å; I100-K139 HydrophobicContact CD1-CB 4.16Å; I100-K139 HydrophobicContact CG2-CB 4.1Å; I100-K139 HydrophobicContact CG2-CD 3.74Å; I100-K139 HydrophobicContact CG2-CG 3.76Å; V101-K139 PolarHBondContact O-NZ 2.82Å; T107-K139 HydrophobicContact CG2-CG 4.31Å; S133-K139 WeakPolarHBondContact O-CE 3.33Å; S133-K139 PolarHBondContact O-NZ 3.04Å; Y134-K139 WeakPolarHBondContact O-CE 3.4Å; Y134-K139 PolarHBondContact O-NZ 3.26Å; S136-K139 CarbonylContact O-C 3.5Å; S136-K139 WeakPolarHBondContact O-CA 3.23Å; S136-K139 VanDerWaalsContact O-CB 3.29Å; S136-K139 WeakPolarHBondContact O-CB 3Å; S136-K139 PolarHBondContact O-N 3.47Å; A137-K139 VanDerWaalsContact C-N 3.3Å; A137-K139 PolarHBondContact O-N 2.8Å; K139-W142 PolarHBondContact O-N 3.11Å; K139-I143 WeakPolarHBondContact O-CG1 3.47Å; K139-I143 PolarHBondContact O-N 3.36Å |
| 140 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 110 | T85 I87 S136 A137 W142 I143 L144 F161 M190 I208 I212 | T85-V140 HydrophobicContact CG2-CG2 3.67Å; I87-V140 HydrophobicContact CD1-CG1 4.11Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.42Å; A137-V140 PolarHBondContact O-N 2.86Å; V140-W142 VanDerWaalsContact C-N 3.28Å; V140-W142 PolarHBondContact O-N 2.85Å; V140-I143 PolarHBondContact O-N 2.67Å; V140-L144 HydrophobicContact CG1-CD1 3.97Å; V140-L144 HydrophobicContact CG1-CG 4.4Å; V140-L144 WeakPolarHBondContact O-CG 2.93Å; V140-L144 PolarHBondContact O-N 3.4Å; V140-F161 HydrophobicContact CG2-CD2 3.36Å; V140-F161 HydrophobicContact CG2-CE2 3.39Å; V140-F161 HydrophobicContact CG2-CG 4.1Å; V140-F161 HydrophobicContact CG2-CZ 4.15Å; V140-M190 HydrophobicContact CG2-CE 4.11Å; V140-I208 HydrophobicContact CB-CD1 4.03Å; V140-I208 HydrophobicContact CG1-CD1 3.85Å; V140-I208 HydrophobicContact CG1-CG1 4.02Å; V140-I208 HydrophobicContact CG1-CG2 3.86Å; V140-I212 HydrophobicContact CG1-CD1 3.89Å |
| 141 | K | 98.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.9 | -47 | 176.6 | 173 | 167.7 | 169.1 | 48.5 | 0 | 111.5 | I110 A137 I143 L144 D145 L206 | I110-K141 HydrophobicContact CD1-CG 4.26Å; I110-K141 HydrophobicContact CG2-CD 3.84Å; A137-K141 PolarHBondContact O-N 3.17Å; K141-I143 PolarHBondContact O-N 3.31Å; K141-L144 CarbonylContact O-C 3.52Å; K141-L144 PolarHBondContact O-N 2.97Å; K141-D145 VanDerWaalsContact CG-OD2 3.27Å; K141-D145 WeakPolarHBondContact CG-OD2 3.44Å; K141-D145 IonicContact NZ-OD1 3.78Å; K141-D145 IonicContact NZ-OD2 2.81Å; K141-D145 PolarHBondContact NZ-OD2 3.24Å; K141-D145 WeakPolarHBondContact O-CB 3.36Å; K141-D145 VanDerWaalsContact O-CG 3.26Å; K141-D145 PolarHBondContact O-N 3.12Å; K141-L206 HydrophobicContact CD-CB 4.3Å; K141-L206 HydrophobicContact CD-CD2 3.74Å |
| 142 | W | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 6% | 0.064 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 179.8 | -170.4 | 98.4 | 0 | 0 | 0 | 112.3 | W43 Y97 I100 T107 I110 T138 K139 V140 L144 D145 H146 | W43-W142 HydrophobicContact CH2-CH2 4.14Å; W43-W142 AromaticContact CH2-CZ2 3.49Å; W43-W142 HydrophobicContact CH2-CZ2 3.49Å; W43-W142 VanDerWaalsContact CH2-CZ2 3.49Å; W43-W142 HydrophobicContact CZ2-CZ2 4.36Å; W43-W142 HydrophobicContact CZ3-CH2 4Å; W43-W142 AromaticContact CZ3-CZ2 3.81Å; W43-W142 HydrophobicContact CZ3-CZ2 3.81Å; Y97-W142 HydrophobicContact CD1-CZ3 4.16Å; Y97-W142 HydrophobicContact CE1-CE3 4.44Å; Y97-W142 HydrophobicContact CE1-CH2 4.17Å; Y97-W142 AromaticContact CE1-CZ3 3.54Å; Y97-W142 HydrophobicContact CE1-CZ3 3.54Å; Y97-W142 HydrophobicContact CE2-CH2 4.47Å; Y97-W142 HydrophobicContact CE2-CZ3 4.24Å; Y97-W142 AromaticContact CZ-CH2 3.8Å; Y97-W142 AromaticContact CZ-CZ3 3.57Å; Y97-W142 WeakPolarHBondContact OH-CH2 3.49Å; I100-W142 HydrophobicContact CD1-CD2 4.29Å; I100-W142 HydrophobicContact CD1-CE3 3.66Å; I100-W142 HydrophobicContact CD1-CZ3 4.29Å; T107-W142 HydrophobicContact CG2-CB 3.6Å; T107-W142 HydrophobicContact CG2-CG 3.87Å; I110-W142 HydrophobicContact CD1-CB 3.85Å; I110-W142 HydrophobicContact CD1-CG 4.35Å; T138-W142 VanDerWaalsContact O-CB 3.29Å; T138-W142 WeakPolarHBondContact O-CB 3.48Å; T138-W142 PolarHBondContact O-N 3.24Å; K139-W142 PolarHBondContact O-N 3.11Å; V140-W142 VanDerWaalsContact C-N 3.28Å; V140-W142 PolarHBondContact O-N 2.85Å; W142-L144 VanDerWaalsContact C-N 3.34Å; W142-L144 PolarHBondContact O-N 3.01Å; W142-D145 PolarHBondContact O-N 3.47Å; W142-H146 AromaticContact CD1-CE1 3.56Å; W142-H146 AromaticContact CD1-ND1 3.79Å; W142-H146 HydrophobicContact CD2-CB 4.48Å; W142-H146 AromaticContact CD2-ND1 3.59Å; W142-H146 AromaticContact CE2-CD2 3.99Å; W142-H146 AromaticContact CE2-CE1 3.62Å; W142-H146 AromaticContact CE2-CG 3.75Å; W142-H146 AromaticContact CE2-ND1 3.5Å; W142-H146 AromaticContact CE2-NE2 3.9Å; W142-H146 HydrophobicContact CE3-CB 4.26Å; W142-H146 AromaticContact CG-ND1 3.76Å; W142-H146 HydrophobicContact CH2-CB 4Å; W142-H146 HydrophobicContact CZ2-CB 4.21Å; W142-H146 AromaticContact CZ2-CD2 3.79Å; W142-H146 AromaticContact CZ2-CG 3.74Å; W142-H146 AromaticContact CZ2-ND1 3.99Å; W142-H146 HydrophobicContact CZ3-CB 4.02Å; W142-H146 AromaticContact NE1-CE1 3.31Å; W142-H146 PolarHBondContact NE1-CE1 3.01Å; W142-H146 VanDerWaalsContact NE1-CE1 3.31Å; W142-H146 AromaticContact NE1-ND1 3.65Å; W142-H146 AromaticContact NE1-NE2 3.71Å; W142-H146 WeakPolarHBondContact O-CB 3.3Å; W142-H146 PolarHBondContact O-N 3.27Å; W142-H146 PolarHBondContact O-ND1 2.72Å |
| 143 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.7 | -66.2 | 169.7 | 0 | 0 | 0 | 110.1 | T85 I87 I96 Y97 I100 K139 V140 K141 D145 H146 V147 | T85-I143 HydrophobicContact CG2-CD1 4.16Å; I87-I143 HydrophobicContact CB-CG2 4.43Å; I87-I143 HydrophobicContact CD1-CB 3.96Å; I87-I143 HydrophobicContact CD1-CD1 4.21Å; I87-I143 HydrophobicContact CD1-CG2 3.83Å; I87-I143 HydrophobicContact CG1-CD1 4.18Å; I87-I143 HydrophobicContact CG1-CG2 4.43Å; I96-I143 HydrophobicContact CD1-CG2 3.74Å; I96-I143 HydrophobicContact CG1-CG2 4.19Å; Y97-I143 HydrophobicContact CD1-CD1 4.45Å; Y97-I143 HydrophobicContact CD1-CG1 4.12Å; I100-I143 HydrophobicContact CD1-CD1 3.82Å; I100-I143 HydrophobicContact CD1-CG1 3.51Å; I100-I143 HydrophobicContact CG1-CD1 4.2Å; I100-I143 HydrophobicContact CG1-CG1 4.31Å; K139-I143 WeakPolarHBondContact O-CG1 3.47Å; K139-I143 PolarHBondContact O-N 3.36Å; V140-I143 PolarHBondContact O-N 2.67Å; K141-I143 PolarHBondContact O-N 3.31Å; I143-D145 PolarHBondContact O-N 3.42Å; I143-H146 PolarHBondContact O-N 3.28Å; I143-V147 HydrophobicContact CG2-CB 4.47Å; I143-V147 HydrophobicContact CG2-CG2 3.81Å; I143-V147 WeakPolarHBondContact O-CB 3.45Å; I143-V147 PolarHBondContact O-N 2.76Å |
| 144 | L | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.6 | -19.9 | 179.4 | -64.7 | -178.7 | 0 | 0 | 0 | 113.8 | I87 V140 K141 W142 S150 R151 A154 I212 | I87-L144 HydrophobicContact CD1-CD2 4.18Å; I87-L144 HydrophobicContact CD1-CG 4.27Å; V140-L144 HydrophobicContact CG1-CD1 3.97Å; V140-L144 HydrophobicContact CG1-CG 4.4Å; V140-L144 WeakPolarHBondContact O-CG 2.93Å; V140-L144 PolarHBondContact O-N 3.4Å; K141-L144 CarbonylContact O-C 3.52Å; K141-L144 PolarHBondContact O-N 2.97Å; W142-L144 VanDerWaalsContact C-N 3.34Å; W142-L144 PolarHBondContact O-N 3.01Å; L144-S150 WeakPolarHBondContact CA-OG 3.39Å; L144-R151 PolarHBondContact O-NE 3.1Å; L144-R151 PolarHBondContact O-NH2 3.4Å; L144-A154 HydrophobicContact CD2-CB 4.1Å; L144-I212 HydrophobicContact CD1-CD1 4.49Å |
| 145 | D | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -86.3 | -30.7 | 174.7 | -74.9 | -27 | 0 | 0 | 0 | 111.9 | K141 W142 I143 R151 | K141-D145 VanDerWaalsContact CG-OD2 3.27Å; K141-D145 WeakPolarHBondContact CG-OD2 3.44Å; K141-D145 IonicContact NZ-OD1 3.78Å; K141-D145 IonicContact NZ-OD2 2.81Å; K141-D145 PolarHBondContact NZ-OD2 3.24Å; K141-D145 WeakPolarHBondContact O-CB 3.36Å; K141-D145 VanDerWaalsContact O-CG 3.26Å; K141-D145 PolarHBondContact O-N 3.12Å; W142-D145 PolarHBondContact O-N 3.47Å; I143-D145 PolarHBondContact O-N 3.42Å; D145-R151 IonicContact OD1-CZ 2.72Å; D145-R151 IonicContact OD1-NH1 3.93Å; D145-R151 IonicContact OD1-NH2 2.95Å; D145-R151 PolarHBondContact OD1-NH2 3.47Å |
| 146 | H | 98 | Very high | 98.4 | Very high | 115 Ų | 115 | 44.1 Ų | 44.1 | 53% | 0.532 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -108.6 | -23.9 | -169.1 | -67.6 | 78.4 | 0 | 0 | 0 | 115 | W142 I143 | W142-H146 AromaticContact CD1-CE1 3.56Å; W142-H146 AromaticContact CD1-ND1 3.79Å; W142-H146 HydrophobicContact CD2-CB 4.48Å; W142-H146 AromaticContact CD2-ND1 3.59Å; W142-H146 AromaticContact CE2-CD2 3.99Å; W142-H146 AromaticContact CE2-CE1 3.62Å; W142-H146 AromaticContact CE2-CG 3.75Å; W142-H146 AromaticContact CE2-ND1 3.5Å; W142-H146 AromaticContact CE2-NE2 3.9Å; W142-H146 HydrophobicContact CE3-CB 4.26Å; W142-H146 AromaticContact CG-ND1 3.76Å; W142-H146 HydrophobicContact CH2-CB 4Å; W142-H146 HydrophobicContact CZ2-CB 4.21Å; W142-H146 AromaticContact CZ2-CD2 3.79Å; W142-H146 AromaticContact CZ2-CG 3.74Å; W142-H146 AromaticContact CZ2-ND1 3.99Å; W142-H146 HydrophobicContact CZ3-CB 4.02Å; W142-H146 AromaticContact NE1-CE1 3.31Å; W142-H146 PolarHBondContact NE1-CE1 3.01Å; W142-H146 VanDerWaalsContact NE1-CE1 3.31Å; W142-H146 AromaticContact NE1-ND1 3.65Å; W142-H146 AromaticContact NE1-NE2 3.71Å; W142-H146 WeakPolarHBondContact O-CB 3.3Å; W142-H146 PolarHBondContact O-N 3.27Å; W142-H146 PolarHBondContact O-ND1 2.72Å; I143-H146 PolarHBondContact O-N 3.28Å |
| 147 | V | 98.3 | Very high | 98.3 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -87.9 | 115.5 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 109 | I96 Y97 I143 G149 S150 | I96-V147 HydrophobicContact CB-CG1 4.43Å; I96-V147 HydrophobicContact CD1-CB 4.28Å; I96-V147 HydrophobicContact CD1-CG1 4.09Å; I96-V147 HydrophobicContact CD1-CG2 4.46Å; Y97-V147 HydrophobicContact CD2-CG2 4.08Å; Y97-V147 HydrophobicContact CG-CG2 4.24Å; I143-V147 HydrophobicContact CG2-CB 4.47Å; I143-V147 HydrophobicContact CG2-CG2 3.81Å; I143-V147 WeakPolarHBondContact O-CB 3.45Å; I143-V147 PolarHBondContact O-N 2.76Å; V147-G149 PolarHBondContact O-N 3.49Å; V147-S150 VanDerWaalsContact O-CB 3.22Å; V147-S150 WeakPolarHBondContact O-CB 3.46Å; V147-S150 PolarHBondContact O-N 3.46Å; V147-S150 VanDerWaalsContact O-N 3.12Å; V147-S150 PolarHBondContact O-OG 3.39Å |
| 148 | E | 97.9 | Very high | 98.3 | Very high | 188 Ų | 188 | 49.1 Ų | 49.1 | 88% | 0.879 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 130.2 | -175 | -171.6 | 177.3 | 179.5 | 0 | 0 | 112.4 | S150 | E148-S150 PolarHBondContact O-N 2.89Š|
| 149 | G | 97.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -8.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V147 R151 E152 R153 | V147-G149 PolarHBondContact O-N 3.49Å; G149-R151 VanDerWaalsContact C-N 3.28Å; G149-R151 PolarHBondContact O-N 2.96Å; G149-E152 PolarHBondContact O-N 2.72Å; G149-R153 VanDerWaalsContact O-CG 3.32Å; G149-R153 WeakPolarHBondContact O-CG 3.42Å; G149-R153 PolarHBondContact O-N 3.07Å |
| 150 | S | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -37.5 | -173.8 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | L144 V147 E148 R153 A154 L159 | L144-S150 WeakPolarHBondContact CA-OG 3.39Å; V147-S150 VanDerWaalsContact O-CB 3.22Å; V147-S150 WeakPolarHBondContact O-CB 3.46Å; V147-S150 PolarHBondContact O-N 3.46Å; V147-S150 VanDerWaalsContact O-N 3.12Å; V147-S150 PolarHBondContact O-OG 3.39Å; E148-S150 PolarHBondContact O-N 2.89Å; S150-R153 PolarHBondContact O-N 3.38Å; S150-A154 WeakPolarHBondContact O-CB 3.33Å; S150-A154 PolarHBondContact O-N 2.87Å; S150-L159 VanDerWaalsContact O-CD1 3.24Å; S150-L159 WeakPolarHBondContact O-CD1 3.49Å |
| 151 | R | 98 | Very high | 98.3 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.9 | -167.1 | 164.6 | -55.1 | -129.3 | -11.6 | 113.8 | L144 D145 G149 A154 R155 D207 | L144-R151 PolarHBondContact O-NE 3.1Å; L144-R151 PolarHBondContact O-NH2 3.4Å; D145-R151 IonicContact OD1-CZ 2.72Å; D145-R151 IonicContact OD1-NH1 3.93Å; D145-R151 IonicContact OD1-NH2 2.95Å; D145-R151 PolarHBondContact OD1-NH2 3.47Å; G149-R151 VanDerWaalsContact C-N 3.28Å; G149-R151 PolarHBondContact O-N 2.96Å; R151-A154 WeakPolarHBondContact O-CB 3.37Å; R151-A154 PolarHBondContact O-N 2.92Å; R151-R155 WeakPolarHBondContact O-CG 3.49Å; R151-R155 PolarHBondContact O-N 3.35Å; R151-R155 VanDerWaalsContact O-N 3.07Å; R151-D207 VanDerWaalsContact CD-OD2 3.28Å; R151-D207 WeakPolarHBondContact CD-OD2 3.48Å; R151-D207 IonicContact CZ-OD2 3.17Å; R151-D207 IonicContact NE-OD2 3.91Å; R151-D207 VanDerWaalsContact NH1-CB 3.34Å; R151-D207 VanDerWaalsContact NH1-CG 3.28Å; R151-D207 PolarHBondContact NH1-O 3.03Å; R151-D207 IonicContact NH1-OD2 3.09Å; R151-D207 PolarHBondContact NH1-OD2 3.34Å |
| 152 | E | 98.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 178.2 | -171.6 | 61.1 | -169 | 0 | 0 | 110.5 | G149 A154 R155 N156 | G149-E152 PolarHBondContact O-N 2.72Å; E152-A154 VanDerWaalsContact C-N 3.3Å; E152-A154 PolarHBondContact O-N 3.45Å; E152-R155 PolarHBondContact O-N 3.16Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-NH1 2.72Å; E152-N156 VanDerWaalsContact O-CG 3.27Å; E152-N156 PolarHBondContact O-N 2.98Å; E152-N156 PolarHBondContact O-ND2 2.95Å |
| 153 | R | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 25% | 0.253 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -40 | 174.1 | -62.8 | 175.7 | 64.8 | -164.8 | 1.9 | 112.2 | E89 G149 S150 N156 G157 E158 L159 | E89-R153 IonicContact OE1-CZ 3.3Å; E89-R153 IonicContact OE1-NH1 2.74Å; E89-R153 PolarHBondContact OE1-NH1 2.71Å; E89-R153 IonicContact OE1-NH2 3.82Å; E89-R153 PolarHBondContact OE1-NH2 3.11Å; G149-R153 VanDerWaalsContact O-CG 3.32Å; G149-R153 WeakPolarHBondContact O-CG 3.42Å; G149-R153 PolarHBondContact O-N 3.07Å; S150-R153 PolarHBondContact O-N 3.38Å; R153-N156 PolarHBondContact O-N 3.38Å; R153-G157 PolarHBondContact O-N 3.44Å; R153-E158 HydrophobicContact CB-CB 4.21Å; R153-E158 WeakPolarHBondContact CB-OE2 3.21Å; R153-E158 VanDerWaalsContact CG-OE2 3.28Å; R153-E158 WeakPolarHBondContact CG-OE2 3.42Å; R153-E158 IonicContact NE-OE2 3.07Å; R153-E158 PolarHBondContact NE-OE2 3.08Å; R153-E158 WeakPolarHBondContact O-CB 3.3Å; R153-E158 PolarHBondContact O-N 2.82Å; R153-L159 HydrophobicContact CB-CD1 4.03Å; R153-L159 HydrophobicContact CB-CD2 4.49Å; R153-L159 HydrophobicContact CB-CG 3.94Å |
| 154 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 S150 R151 E152 N156 G157 L159 P209 I212 | L144-A154 HydrophobicContact CD2-CB 4.1Å; S150-A154 WeakPolarHBondContact O-CB 3.33Å; S150-A154 PolarHBondContact O-N 2.87Å; R151-A154 WeakPolarHBondContact O-CB 3.37Å; R151-A154 PolarHBondContact O-N 2.92Å; E152-A154 VanDerWaalsContact C-N 3.3Å; E152-A154 PolarHBondContact O-N 3.45Å; A154-N156 VanDerWaalsContact C-N 3.26Å; A154-N156 PolarHBondContact O-N 3.31Å; A154-G157 PolarHBondContact O-N 3.02Å; A154-L159 HydrophobicContact CB-CB 4.37Å; A154-L159 HydrophobicContact CB-CD1 4.22Å; A154-P209 HydrophobicContact CB-CB 4.41Å; A154-P209 HydrophobicContact CB-CG 3.9Å; A154-I212 HydrophobicContact CB-CG2 3.57Å |
| 155 | R | 97.9 | Very high | 98.3 | Very high | 108 Ų | 108 | 46.6 Ų | 46.6 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -30 | 175.7 | -69.7 | 177.1 | -178.3 | 143.8 | -0.3 | 113 | R151 E152 G157 D207 P209 | R151-R155 WeakPolarHBondContact O-CG 3.49Å; R151-R155 PolarHBondContact O-N 3.35Å; R151-R155 VanDerWaalsContact O-N 3.07Å; E152-R155 PolarHBondContact O-N 3.16Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 IonicContact OE2-NH1 2.72Å; R155-G157 PolarHBondContact O-N 3.38Å; R155-D207 IonicContact CZ-OD1 3.71Å; R155-D207 IonicContact NH2-OD1 3.33Å; R155-D207 PolarHBondContact NH2-OD1 3.42Å; R155-D207 IonicContact NH2-OD2 2.88Å; R155-D207 PolarHBondContact NH2-OD2 2.84Å; R155-P209 HydrophobicContact CG-CB 4Å; R155-P209 HydrophobicContact CG-CG 3.55Å |
| 156 | N | 98 | Very high | 98.4 | Very high | 97 Ų | 97 | 43 Ų | 43 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.5 | 174.2 | -67.4 | -20 | 0 | 0 | 0 | 113.7 | E152 R153 A154 E158 | E152-N156 VanDerWaalsContact O-CG 3.27Å; E152-N156 PolarHBondContact O-N 2.98Å; E152-N156 PolarHBondContact O-ND2 2.95Å; R153-N156 PolarHBondContact O-N 3.38Å; A154-N156 VanDerWaalsContact C-N 3.26Å; A154-N156 PolarHBondContact O-N 3.31Å; N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 HydrophobicContact CB-CG 3.91Å; N156-E158 WeakPolarHBondContact CB-OE1 3.37Å; N156-E158 PolarHBondContact ND2-OE1 3.28Å; N156-E158 VanDerWaalsContact ND2-OE1 3.15Å; N156-E158 PolarHBondContact O-N 3.18Å |
| 157 | G | 97.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 19.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R153 A154 R155 | R153-G157 PolarHBondContact O-N 3.44Å; A154-G157 PolarHBondContact O-N 3.02Å; R155-G157 PolarHBondContact O-N 3.38Å |
| 158 | E | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | trans | -82.8 | -21.1 | 178.6 | -58.9 | 169.2 | -149.4 | 0 | 0 | 112.5 | K90 R153 N156 | K90-E158 PolarHBondContact N-O 3.15Å; R153-E158 HydrophobicContact CB-CB 4.21Å; R153-E158 WeakPolarHBondContact CB-OE2 3.21Å; R153-E158 VanDerWaalsContact CG-OE2 3.28Å; R153-E158 WeakPolarHBondContact CG-OE2 3.42Å; R153-E158 IonicContact NE-OE2 3.07Å; R153-E158 PolarHBondContact NE-OE2 3.08Å; R153-E158 WeakPolarHBondContact O-CB 3.3Å; R153-E158 PolarHBondContact O-N 2.82Å; N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 HydrophobicContact CB-CG 3.91Å; N156-E158 WeakPolarHBondContact CB-OE1 3.37Å; N156-E158 PolarHBondContact ND2-OE1 3.28Å; N156-E158 VanDerWaalsContact ND2-OE1 3.15Å; N156-E158 PolarHBondContact O-N 3.18Å | ||
| 159 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.7 | -178 | -56.1 | -175.7 | 0 | 0 | 0 | 111.5 | I87 W88 E89 I96 S150 R153 A154 I212 | I87-L159 HydrophobicContact CG2-CB 4.1Å; I87-L159 HydrophobicContact CG2-CD1 4.12Å; W88-L159 CarbonylContact O-C 3.55Å; W88-L159 VanDerWaalsContact O-CA 3.31Å; W88-L159 WeakPolarHBondContact O-CA 3.33Å; E89-L159 HydrophobicContact CG-CD2 4.06Å; I96-L159 HydrophobicContact CD1-CD1 3.85Å; I96-L159 HydrophobicContact CG2-CD2 3.74Å; S150-L159 VanDerWaalsContact O-CD1 3.24Å; S150-L159 WeakPolarHBondContact O-CD1 3.49Å; R153-L159 HydrophobicContact CB-CD1 4.03Å; R153-L159 HydrophobicContact CB-CD2 4.49Å; R153-L159 HydrophobicContact CB-CG 3.94Å; A154-L159 HydrophobicContact CB-CB 4.37Å; A154-L159 HydrophobicContact CB-CD1 4.22Å; L159-I212 HydrophobicContact CB-CG2 4.48Å; L159-I212 WeakPolarHBondContact O-CG2 3.44Å |
| 160 | L | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148 | 172.2 | -60.1 | -179.8 | 0 | 0 | 0 | 109.8 | I87 W88 K90 W170 H178 | I87-L160 VanDerWaalsContact CA-O 3.26Å; I87-L160 WeakPolarHBondContact CA-O 3.44Å; I87-L160 WeakPolarHBondContact CG2-O 3.43Å; W88-L160 HydrophobicContact CD2-CB 4.17Å; W88-L160 HydrophobicContact CH2-CB 4.22Å; W88-L160 HydrophobicContact CZ2-CB 3.63Å; W88-L160 HydrophobicContact CZ2-CD1 4.03Å; W88-L160 HydrophobicContact CZ2-CG 4.5Å; W88-L160 PolarHBondContact N-O 2.91Å; W88-L160 PolarHBondContact O-N 2.61Å; K90-L160 HydrophobicContact CB-CD1 4.24Å; K90-L160 HydrophobicContact CB-CG 4.1Å; K90-L160 HydrophobicContact CD-CD2 4.36Å; K90-L160 HydrophobicContact CG-CD1 4.04Å; K90-L160 HydrophobicContact CG-CG 4.3Å; L160-W170 HydrophobicContact CD1-CD2 4.36Å; L160-W170 HydrophobicContact CD1-CE3 4.26Å; L160-W170 HydrophobicContact CD1-CH2 3.75Å; L160-W170 HydrophobicContact CD1-CZ2 3.86Å; L160-W170 HydrophobicContact CD1-CZ3 3.97Å; L160-H178 HydrophobicContact CD1-CB 4.48Å |
| 161 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 150.3 | 171.1 | 156.4 | -102.8 | 0 | 0 | 0 | 109.9 | T85 V86 V140 T163 H178 T188 M190 W198 I212 L213 | T85-F161 HydrophobicContact CG2-CD2 3.94Å; T85-F161 HydrophobicContact CG2-CE2 3.73Å; V86-F161 WeakPolarHBondContact O-CA 3.28Å; V140-F161 HydrophobicContact CG2-CD2 3.36Å; V140-F161 HydrophobicContact CG2-CE2 3.39Å; V140-F161 HydrophobicContact CG2-CG 4.1Å; V140-F161 HydrophobicContact CG2-CZ 4.15Å; F161-T163 HydrophobicContact CZ-CG2 4.46Å; F161-H178 PolarHBondContact O-NE2 3.45Å; F161-T188 HydrophobicContact CE1-CG2 4.24Å; F161-T188 HydrophobicContact CZ-CG2 4.04Å; F161-M190 HydrophobicContact CD1-CE 4.09Å; F161-M190 HydrophobicContact CE1-CE 3.45Å; F161-M190 VanDerWaalsContact CE1-CE 3.45Å; F161-M190 HydrophobicContact CE2-CE 4.29Å; F161-M190 HydrophobicContact CZ-CE 3.57Å; F161-W198 HydrophobicContact CE1-CH2 4.45Å; F161-I212 HydrophobicContact CB-CB 4.09Å; F161-I212 HydrophobicContact CB-CD1 3.74Å; F161-I212 HydrophobicContact CB-CG1 3.68Å; F161-I212 PolarHBondContact N-O 3.16Å; F161-L213 HydrophobicContact CD1-CD2 3.87Å; F161-L213 HydrophobicContact CE1-CD2 4.36Å |
| 162 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 150 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V86 W88 | V86-G162 PolarHBondContact N-O 3.07Å; V86-G162 PolarHBondContact O-N 2.67Å; W88-G162 VanDerWaalsContact CZ3-N 3.3Å |
| 163 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | trans | -68.9 | 174.9 | 151.2 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | T84 F161 D165 T166 W167 T188 | T84-T163 WeakPolarHBondContact O-CA 3.32Å; F161-T163 HydrophobicContact CZ-CG2 4.46Å; T163-D165 VanDerWaalsContact C-N 3.34Å; T163-D165 WeakPolarHBondContact CB-OD1 3.44Å; T163-D165 PolarHBondContact O-N 3.29Å; T163-D165 PolarHBondContact OG1-OD1 3.04Å; T163-T166 WeakPolarHBondContact O-CB 3.45Å; T163-T166 PolarHBondContact O-N 2.74Å; T163-W167 PolarHBondContact O-N 3.11Å; T163-T188 HydrophobicContact CG2-CG2 4.33Å | ||
| 164 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | -171.6 | -67.1 | -58.4 | 0 | 0 | 0 | 112.9 | Q10 I51 N80 Q81 T84 V86 T166 W167 L168 | Q10-I164 HydrophobicContact CB-CG2 3.88Å; Q10-I164 HydrophobicContact CG-CG2 3.74Å; I51-I164 HydrophobicContact CD1-CD1 4.06Å; N80-I164 HydrophobicContact CB-CB 3.73Å; N80-I164 HydrophobicContact CB-CG2 3.56Å; Q81-I164 HydrophobicContact CG-CG1 3.98Å; T84-I164 HydrophobicContact CG2-CD1 3.78Å; T84-I164 HydrophobicContact CG2-CG1 3.86Å; V86-I164 HydrophobicContact CG2-CD1 3.84Å; I164-T166 PolarHBondContact O-N 3.13Å; I164-W167 WeakPolarHBondContact O-CB 3.48Å; I164-W167 PolarHBondContact O-N 3.44Å; I164-L168 HydrophobicContact CG2-CD1 3.97Å; I164-L168 HydrophobicContact CG2-CG 4.1Å; I164-L168 VanDerWaalsContact O-CG 3.26Å; I164-L168 WeakPolarHBondContact O-CG 3.34Å; I164-L168 PolarHBondContact O-N 3.35Å |
| 165 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -52.6 | -52 | 171.8 | 54.1 | -50.1 | 0 | 0 | 0 | 111.8 | N80 T163 W167 L168 V169 S180 N184 M241 | N80-D165 WeakPolarHBondContact OD1-CB 3.46Å; T163-D165 VanDerWaalsContact C-N 3.34Å; T163-D165 WeakPolarHBondContact CB-OD1 3.44Å; T163-D165 PolarHBondContact O-N 3.29Å; T163-D165 PolarHBondContact OG1-OD1 3.04Å; D165-W167 VanDerWaalsContact C-N 3.33Å; D165-W167 PolarHBondContact O-N 2.92Å; D165-L168 PolarHBondContact O-N 2.88Å; D165-L168 VanDerWaalsContact O-N 3.16Å; D165-V169 WeakPolarHBondContact O-CG2 3.22Å; D165-V169 PolarHBondContact O-N 2.85Å; D165-S180 VanDerWaalsContact OD2-CA 3.32Å; D165-S180 WeakPolarHBondContact OD2-CA 3.43Å; D165-S180 WeakPolarHBondContact OD2-CB 3.17Å; D165-S180 PolarHBondContact OD2-OG 3.12Å; D165-N184 VanDerWaalsContact CG-CG 3.43Å; D165-N184 PolarHBondContact OD1-ND2 2.88Å; D165-N184 PolarHBondContact OD2-ND2 3.3Å; D165-M241 HydrophobicContact CB-SD 4.14Å |
| 166 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | W88 T163 I164 L168 V169 W170 H178 V179 S180 P214 | W88-T166 HydrophobicContact CH2-CG2 3.86Å; T163-T166 WeakPolarHBondContact O-CB 3.45Å; T163-T166 PolarHBondContact O-N 2.74Å; I164-T166 PolarHBondContact O-N 3.13Å; T166-L168 PolarHBondContact O-N 2.95Å; T166-V169 PolarHBondContact O-N 2.83Å; T166-W170 VanDerWaalsContact O-CB 3.28Å; T166-W170 WeakPolarHBondContact O-CB 3.26Å; T166-W170 PolarHBondContact O-N 2.95Å; T166-H178 WeakPolarHBondContact CG2-CD2 3.38Å; T166-V179 WeakPolarHBondContact CA-O 3.4Å; T166-V179 VanDerWaalsContact CB-O 3.27Å; T166-V179 WeakPolarHBondContact CB-O 3.42Å; T166-V179 WeakPolarHBondContact CG2-O 3.37Å; T166-V179 PolarHBondContact OG1-O 2.98Å; T166-S180 WeakPolarHBondContact OG1-CB 3.43Å; T166-P214 HydrophobicContact CG2-CB 3.85Å; T166-P214 HydrophobicContact CG2-CG 4.09Å |
| 167 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 175.5 | 171.1 | -117.4 | 0 | 0 | 0 | 111.3 | A48 V86 W88 G93 P95 T163 I164 D165 W170 K171 | A48-W167 HydrophobicContact CB-CZ2 4.05Å; A48-W167 PolarHBondContact O-NE1 3.47Å; V86-W167 HydrophobicContact CG1-CD2 4.48Å; V86-W167 HydrophobicContact CG1-CE3 4.4Å; V86-W167 HydrophobicContact CG2-CB 4.39Å; W88-W167 HydrophobicContact CB-CZ3 4.06Å; W88-W167 AromaticContact CD2-CE3 3.86Å; W88-W167 HydrophobicContact CD2-CE3 3.86Å; W88-W167 AromaticContact CD2-CZ3 3.93Å; W88-W167 HydrophobicContact CD2-CZ3 3.93Å; W88-W167 AromaticContact CE3-CE3 3.86Å; W88-W167 HydrophobicContact CE3-CE3 3.86Å; W88-W167 HydrophobicContact CE3-CZ3 4.28Å; W88-W167 HydrophobicContact CG-CE3 4.25Å; W88-W167 AromaticContact CG-CZ3 3.81Å; W88-W167 HydrophobicContact CG-CZ3 3.81Å; W88-W167 HydrophobicContact CZ3-CE3 4.28Å; G93-W167 WeakPolarHBondContact O-CH2 3.48Å; P95-W167 HydrophobicContact CG-CH2 3.96Å; P95-W167 HydrophobicContact CG-CZ2 4.35Å; T163-W167 PolarHBondContact O-N 3.11Å; I164-W167 WeakPolarHBondContact O-CB 3.48Å; I164-W167 PolarHBondContact O-N 3.44Å; D165-W167 VanDerWaalsContact C-N 3.33Å; D165-W167 PolarHBondContact O-N 2.92Å; W167-W170 WeakPolarHBondContact O-CB 3.4Å; W167-W170 PolarHBondContact O-N 3.01Å; W167-K171 HydrophobicContact CD2-CD 4.38Å; W167-K171 HydrophobicContact CD2-CG 4.06Å; W167-K171 HydrophobicContact CE3-CD 4.24Å; W167-K171 HydrophobicContact CE3-CG 4.33Å; W167-K171 HydrophobicContact CH2-CD 3.59Å; W167-K171 HydrophobicContact CH2-CG 4.26Å; W167-K171 HydrophobicContact CZ2-CD 3.69Å; W167-K171 HydrophobicContact CZ2-CG 3.93Å; W167-K171 HydrophobicContact CZ3-CD 3.86Å; W167-K171 HydrophobicContact CZ3-CG 4.42Å; W167-K171 WeakPolarHBondContact O-CG 3.4Å; W167-K171 PolarHBondContact O-N 3.37Å |
| 168 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | -178.4 | -66.6 | -177.7 | 0 | 0 | 0 | 112.6 | I8 Q10 I51 W52 V55 I78 I164 D165 T166 W170 K171 L172 | I8-L168 HydrophobicContact CG2-CD1 4.36Å; Q10-L168 HydrophobicContact CB-CD1 3.86Å; Q10-L168 HydrophobicContact CG-CD1 4.18Å; I51-L168 HydrophobicContact CG2-CD2 4.37Å; W52-L168 HydrophobicContact CE3-CD2 4.19Å; V55-L168 HydrophobicContact CB-CD2 4.39Å; V55-L168 HydrophobicContact CG1-CD2 4.46Å; V55-L168 HydrophobicContact CG2-CD1 4.3Å; V55-L168 HydrophobicContact CG2-CD2 3.86Å; I78-L168 HydrophobicContact CD1-CB 4.46Å; I78-L168 HydrophobicContact CG2-CB 4.33Å; I78-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 HydrophobicContact CG2-CD1 3.97Å; I164-L168 HydrophobicContact CG2-CG 4.1Å; I164-L168 VanDerWaalsContact O-CG 3.26Å; I164-L168 WeakPolarHBondContact O-CG 3.34Å; I164-L168 PolarHBondContact O-N 3.35Å; D165-L168 PolarHBondContact O-N 2.88Å; D165-L168 VanDerWaalsContact O-N 3.16Å; T166-L168 PolarHBondContact O-N 2.95Å; L168-W170 VanDerWaalsContact C-N 3.35Å; L168-K171 PolarHBondContact O-N 3.01Å; L168-L172 WeakPolarHBondContact O-CB 3.25Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.43Å |
| 169 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | I78 D165 T166 K171 L172 T173 V177 V179 I238 M241 | I78-V169 HydrophobicContact CD1-CG2 3.7Å; D165-V169 WeakPolarHBondContact O-CG2 3.22Å; D165-V169 PolarHBondContact O-N 2.85Å; T166-V169 PolarHBondContact O-N 2.83Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.71Å; V169-L172 PolarHBondContact O-N 2.53Å; V169-T173 HydrophobicContact CG1-CG2 3.97Å; V169-T173 WeakPolarHBondContact O-CB 3.48Å; V169-T173 VanDerWaalsContact O-CG2 3.29Å; V169-T173 WeakPolarHBondContact O-CG2 3.26Å; V169-T173 PolarHBondContact O-N 2.89Å; V169-T173 PolarHBondContact O-OG1 3.5Å; V169-V177 HydrophobicContact CG1-CB 4.04Å; V169-V177 HydrophobicContact CG1-CG1 3.94Å; V169-V179 HydrophobicContact CB-CG1 4.31Å; V169-V179 HydrophobicContact CG1-CG1 3.78Å; V169-V179 HydrophobicContact CG2-CG1 4.47Å; V169-I238 HydrophobicContact CG1-CD1 4.41Å; V169-I238 HydrophobicContact CG2-CG2 4.26Å; V169-M241 HydrophobicContact CG2-SD 3.56Å; V169-M241 VanDerWaalsContact CG2-SD 3.56Å |
| 170 | W | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 17.3 Ų | 17.3 | 8% | 0.076 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 175.9 | -176.2 | -105 | 0 | 0 | 0 | 111.5 | W88 K90 L160 T166 W167 L168 T173 G174 G175 H178 | W88-W170 AromaticContact CD1-NE1 3.72Å; W88-W170 AromaticContact CE2-CD1 3.82Å; W88-W170 HydrophobicContact CZ2-CB 4.14Å; W88-W170 HydrophobicContact CZ2-CD2 4.28Å; W88-W170 AromaticContact CZ2-CG 3.93Å; W88-W170 HydrophobicContact CZ2-CG 3.93Å; W88-W170 AromaticContact NE1-CD1 3.29Å; W88-W170 VanDerWaalsContact NE1-CD1 3.29Å; W88-W170 AromaticContact NE1-CD2 3.91Å; W88-W170 AromaticContact NE1-CE2 3.51Å; W88-W170 AromaticContact NE1-CG 3.79Å; W88-W170 AromaticContact NE1-NE1 3.11Å; W88-W170 VanDerWaalsContact NE1-NE1 3.11Å; K90-W170 HydrophobicContact CG-CH2 4.38Å; K90-W170 HydrophobicContact CG-CZ2 4.45Å; L160-W170 HydrophobicContact CD1-CD2 4.36Å; L160-W170 HydrophobicContact CD1-CE3 4.26Å; L160-W170 HydrophobicContact CD1-CH2 3.75Å; L160-W170 HydrophobicContact CD1-CZ2 3.86Å; L160-W170 HydrophobicContact CD1-CZ3 3.97Å; T166-W170 VanDerWaalsContact O-CB 3.28Å; T166-W170 WeakPolarHBondContact O-CB 3.26Å; T166-W170 PolarHBondContact O-N 2.95Å; W167-W170 WeakPolarHBondContact O-CB 3.4Å; W167-W170 PolarHBondContact O-N 3.01Å; L168-W170 VanDerWaalsContact C-N 3.35Å; W170-T173 PolarHBondContact O-OG1 3.21Å; W170-G174 PolarHBondContact O-N 3.16Å; W170-G175 WeakPolarHBondContact CH2-O 3.24Å; W170-G175 VanDerWaalsContact CZ3-C 3.44Å; W170-G175 WeakPolarHBondContact CZ3-O 3.08Å; W170-G175 PolarHBondContact O-N 3.48Å; W170-H178 HydrophobicContact CE3-CB 3.82Å; W170-H178 HydrophobicContact CZ3-CB 3.82Å |
| 171 | K | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 17 Ų | 17 | 17% | 0.165 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 176.2 | -61 | -55 | -76 | -170.5 | 0 | 112.4 | W52 W167 L168 V169 T173 G174 H230 | W52-K171 HydrophobicContact CD2-CB 3.7Å; W52-K171 HydrophobicContact CD2-CG 3.94Å; W52-K171 HydrophobicContact CE3-CB 3.7Å; W52-K171 HydrophobicContact CE3-CG 4.18Å; W52-K171 HydrophobicContact CG-CB 4.37Å; W52-K171 HydrophobicContact CG-CG 4.09Å; W52-K171 HydrophobicContact CH2-CB 4.03Å; W52-K171 HydrophobicContact CZ2-CB 4.02Å; W52-K171 HydrophobicContact CZ3-CB 3.87Å; W167-K171 HydrophobicContact CD2-CD 4.38Å; W167-K171 HydrophobicContact CD2-CG 4.06Å; W167-K171 HydrophobicContact CE3-CD 4.24Å; W167-K171 HydrophobicContact CE3-CG 4.33Å; W167-K171 HydrophobicContact CH2-CD 3.59Å; W167-K171 HydrophobicContact CH2-CG 4.26Å; W167-K171 HydrophobicContact CZ2-CD 3.69Å; W167-K171 HydrophobicContact CZ2-CG 3.93Å; W167-K171 HydrophobicContact CZ3-CD 3.86Å; W167-K171 HydrophobicContact CZ3-CG 4.42Å; W167-K171 WeakPolarHBondContact O-CG 3.4Å; W167-K171 PolarHBondContact O-N 3.37Å; L168-K171 PolarHBondContact O-N 3.01Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.71Å; K171-T173 VanDerWaalsContact C-N 3.27Å; K171-T173 PolarHBondContact O-N 2.71Å; K171-G174 PolarHBondContact O-N 2.99Å; K171-G174 VanDerWaalsContact O-N 3.16Å; K171-H230 PolarHBondContact O-CD2 3.01Å; K171-H230 PolarHBondContact O-NE2 2.85Å |
| 172 | L | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -34.2 | -177.2 | -77.3 | 165.8 | 0 | 0 | 0 | 112.7 | I8 W52 I59 I78 L168 V169 T226 A227 I238 | I8-L172 HydrophobicContact CD1-CD1 4.14Å; W52-L172 HydrophobicContact CH2-CD2 3.85Å; W52-L172 HydrophobicContact CH2-CG 4.13Å; W52-L172 HydrophobicContact CZ3-CD2 4.08Å; W52-L172 HydrophobicContact CZ3-CG 4.04Å; I59-L172 HydrophobicContact CD1-CD2 4.37Å; I78-L172 HydrophobicContact CD1-CD1 3.63Å; L168-L172 WeakPolarHBondContact O-CB 3.25Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.43Å; V169-L172 PolarHBondContact O-N 2.53Å; L172-T226 HydrophobicContact CB-CG2 4.47Å; L172-T226 HydrophobicContact CD2-CG2 4.28Å; L172-T226 CarbonylContact O-C 3.55Å; L172-T226 WeakPolarHBondContact O-CA 3.39Å; L172-A227 PolarHBondContact O-N 3.18Å; L172-I238 HydrophobicContact CB-CD1 3.74Å; L172-I238 HydrophobicContact CD1-CD1 4.18Å |
| 173 | T | 98.5 | Very high | 98.6 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1.9 | 180 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | V169 W170 K171 G175 V177 I238 | V169-T173 HydrophobicContact CG1-CG2 3.97Å; V169-T173 WeakPolarHBondContact O-CB 3.48Å; V169-T173 VanDerWaalsContact O-CG2 3.29Å; V169-T173 WeakPolarHBondContact O-CG2 3.26Å; V169-T173 PolarHBondContact O-N 2.89Å; V169-T173 PolarHBondContact O-OG1 3.5Å; W170-T173 PolarHBondContact O-OG1 3.21Å; K171-T173 VanDerWaalsContact C-N 3.27Å; K171-T173 PolarHBondContact O-N 2.71Å; T173-G175 VanDerWaalsContact C-N 3.31Å; T173-G175 PolarHBondContact O-N 2.97Å; T173-V177 HydrophobicContact CG2-CB 3.9Å; T173-V177 HydrophobicContact CG2-CG2 3.83Å; T173-V177 PolarHBondContact OG1-N 2.98Å; T173-I238 HydrophobicContact CG2-CD1 3.76Å |
| 174 | G | 97.5 | Very high | 98.6 | Very high | 33 Ų | 33 | 19.1 Ų | 19.1 | 34% | 0.34 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 22.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W170 K171 Y229 | W170-G174 PolarHBondContact O-N 3.16Å; K171-G174 PolarHBondContact O-N 2.99Å; K171-G174 VanDerWaalsContact O-N 3.16Å; G174-Y229 WeakPolarHBondContact CA-OH 3.46Å |
| 175 | G | 97.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 91 | 14.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | W170 T173 | W170-G175 WeakPolarHBondContact CH2-O 3.24Å; W170-G175 VanDerWaalsContact CZ3-C 3.44Å; W170-G175 WeakPolarHBondContact CZ3-O 3.08Å; W170-G175 PolarHBondContact O-N 3.48Å; T173-G175 VanDerWaalsContact C-N 3.31Å; T173-G175 PolarHBondContact O-N 2.97Å |
| 176 | E | 97.8 | Very high | 98.6 | Very high | 167 Ų | 167 | 19.1 Ų | 19.1 | 78% | 0.78 | 10% | 0.104 | S | C | * | . | S | Bend | trans | -90 | -27 | -179.9 | -66.8 | -67.5 | 142.1 | 0 | 0 | 113.1 | ||
| 177 | V | 98.6 | Very high | 98.6 | Very high | 30 Ų | 30 | 19.1 Ų | 19.1 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | trans | -127.2 | 117.5 | -173 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | V169 T173 V179 | V169-V177 HydrophobicContact CG1-CB 4.04Å; V169-V177 HydrophobicContact CG1-CG1 3.94Å; T173-V177 HydrophobicContact CG2-CB 3.9Å; T173-V177 HydrophobicContact CG2-CG2 3.83Å; T173-V177 PolarHBondContact OG1-N 2.98Å; V177-V179 HydrophobicContact CG1-CB 4.04Å; V177-V179 HydrophobicContact CG1-CG1 3.62Å | ||
| 178 | H | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 19.2 Ų | 19.2 | 15% | 0.153 | 10% | 0.104 | C | C | . | . | trans | -114.8 | 94.7 | 176.6 | -179 | -137.4 | 0 | 0 | 0 | 110.1 | W88 L160 F161 T166 W170 I212 P214 E215 | W88-H178 AromaticContact CH2-NE2 3.95Å; W88-H178 AromaticContact CZ2-CD2 3.81Å; W88-H178 AromaticContact CZ2-NE2 4Å; L160-H178 HydrophobicContact CD1-CB 4.48Å; F161-H178 PolarHBondContact O-NE2 3.45Å; T166-H178 WeakPolarHBondContact CG2-CD2 3.38Å; W170-H178 HydrophobicContact CE3-CB 3.82Å; W170-H178 HydrophobicContact CZ3-CB 3.82Å; H178-I212 PolarHBondContact CE1-O 3.18Å; H178-I212 VanDerWaalsContact CE1-O 3.25Å; H178-P214 VanDerWaalsContact CE1-CA 3.41Å; H178-P214 WeakPolarHBondContact CE1-CA 3.47Å; H178-P214 VanDerWaalsContact CE1-N 3.33Å; H178-E215 PolarHBondContact O-N 2.6Å | ||
| 179 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 152.2 | -167.3 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | T166 V169 V177 E215 K217 M241 | T166-V179 WeakPolarHBondContact CA-O 3.4Å; T166-V179 VanDerWaalsContact CB-O 3.27Å; T166-V179 WeakPolarHBondContact CB-O 3.42Å; T166-V179 WeakPolarHBondContact CG2-O 3.37Å; T166-V179 PolarHBondContact OG1-O 2.98Å; V169-V179 HydrophobicContact CB-CG1 4.31Å; V169-V179 HydrophobicContact CG1-CG1 3.78Å; V169-V179 HydrophobicContact CG2-CG1 4.47Å; V177-V179 HydrophobicContact CG1-CB 4.04Å; V177-V179 HydrophobicContact CG1-CG1 3.62Å; V179-E215 CarbonylContact C-O 3.57Å; V179-E215 VanDerWaalsContact CA-O 3.28Å; V179-E215 WeakPolarHBondContact CA-O 3.46Å; V179-E215 HydrophobicContact CG2-CB 4.48Å; V179-E215 WeakPolarHBondContact CG2-O 3.25Å; V179-K217 HydrophobicContact CG2-CB 4.02Å; V179-K217 HydrophobicContact CG2-CD 3.69Å; V179-K217 HydrophobicContact CG2-CG 3.62Å; V179-M241 HydrophobicContact CG1-CE 3.82Å; V179-M241 HydrophobicContact CG2-CE 4.2Å |
| 180 | S | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 162.8 | 166.6 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | D165 T166 N184 E215 V216 K217 | D165-S180 VanDerWaalsContact OD2-CA 3.32Å; D165-S180 WeakPolarHBondContact OD2-CA 3.43Å; D165-S180 WeakPolarHBondContact OD2-CB 3.17Å; D165-S180 PolarHBondContact OD2-OG 3.12Å; T166-S180 WeakPolarHBondContact OG1-CB 3.43Å; S180-N184 WeakPolarHBondContact OG-CB 3.26Å; S180-E215 PolarHBondContact N-O 3.23Å; S180-V216 CarbonylContact O-C 3.58Å; S180-V216 WeakPolarHBondContact O-CA 3.2Å; S180-K217 PolarHBondContact O-N 3.35Å |
| 181 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 165.9 | 171.8 | 79.9 | -79.1 | 0 | 0 | 0 | 112.3 | T183 N184 A185 K217 N219 M241 | D181-T183 PolarHBondContact O-N 2.96Å; D181-T183 WeakPolarHBondContact OD2-CA 3.25Å; D181-T183 VanDerWaalsContact OD2-CB 3.23Å; D181-T183 WeakPolarHBondContact OD2-CB 3.25Å; D181-T183 PolarHBondContact OD2-N 3.41Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å; D181-N184 PolarHBondContact O-N 2.82Å; D181-N184 PolarHBondContact OD1-ND2 3.39Å; D181-A185 VanDerWaalsContact O-CB 3.31Å; D181-A185 WeakPolarHBondContact O-CB 3.36Å; D181-A185 PolarHBondContact O-N 3.2Å; D181-K217 CarbonylContact C-O 3.55Å; D181-K217 WeakPolarHBondContact CA-O 3.46Å; D181-N219 PolarHBondContact OD2-ND2 3.46Å; D181-N219 PolarHBondContact OD2-OD1 3.33Å; D181-M241 HydrophobicContact CB-CB 3.78Å; D181-M241 HydrophobicContact CB-CE 4.33Å |
| 182 | Y | 98.9 | Very high | 98.6 | Very high | 48 Ų | 48 | 17.1 Ų | 17.1 | 19% | 0.188 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.6 | -35.5 | -180 | -68 | -55.3 | 0 | 0 | 0 | 114 | S186 Y191 L196 V216 K217 I289 V297 | Y182-S186 VanDerWaalsContact O-CB 3.26Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 3Å; Y182-S186 PolarHBondContact O-OG 2.91Å; Y182-Y191 HydrophobicContact CD1-CE1 4.2Å; Y182-Y191 WeakPolarHBondContact CD1-OH 3.49Å; Y182-Y191 VanDerWaalsContact CE1-OH 3.3Å; Y182-Y191 WeakPolarHBondContact CE1-OH 3.33Å; Y182-L196 HydrophobicContact CD1-CD2 4.44Å; Y182-L196 HydrophobicContact CE1-CB 4.46Å; Y182-L196 HydrophobicContact CE1-CD2 4.48Å; Y182-V216 HydrophobicContact CD1-CG1 3.6Å; Y182-V216 HydrophobicContact CE1-CG1 4Å; Y182-V216 HydrophobicContact CG-CG1 4.4Å; Y182-K217 WeakPolarHBondContact CD2-O 3.31Å; Y182-K217 PolarHBondContact N-O 3.22Å; Y182-I289 HydrophobicContact CD1-CD1 4.49Å; Y182-I289 HydrophobicContact CG-CD1 4.48Å; Y182-V297 HydrophobicContact CD2-CG2 4.42Å; Y182-V297 HydrophobicContact CE2-CG2 4.28Å |
| 183 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71 | -50.2 | -176.6 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | D181 S186 R187 N219 A242 G243 Q246 I289 G290 | D181-T183 PolarHBondContact O-N 2.96Å; D181-T183 WeakPolarHBondContact OD2-CA 3.25Å; D181-T183 VanDerWaalsContact OD2-CB 3.23Å; D181-T183 WeakPolarHBondContact OD2-CB 3.25Å; D181-T183 PolarHBondContact OD2-N 3.41Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å; T183-S186 PolarHBondContact O-N 3.38Å; T183-S186 PolarHBondContact O-OG 3.12Å; T183-R187 WeakPolarHBondContact O-CG 3.47Å; T183-R187 PolarHBondContact O-N 3.15Å; T183-N219 WeakPolarHBondContact CG2-ND2 3.28Å; T183-A242 WeakPolarHBondContact OG1-CA 3.35Å; T183-G243 PolarHBondContact OG1-N 3.19Å; T183-Q246 HydrophobicContact CG2-CB 3.82Å; T183-Q246 HydrophobicContact CG2-CG 3.69Å; T183-I289 HydrophobicContact CG2-CG2 4.35Å; T183-G290 VanDerWaalsContact CG2-C 3.49Å; T183-G290 WeakPolarHBondContact CG2-O 3.39Å |
| 184 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 175 | -83.7 | -62.6 | 0 | 0 | 0 | 111.9 | N80 D165 S180 D181 S186 R187 G243 | N80-N184 PolarHBondContact ND2-OD1 3.27Å; N80-N184 PolarHBondContact OD1-ND2 3.36Å; N80-N184 PolarHBondContact OD1-OD1 3.07Å; D165-N184 VanDerWaalsContact CG-CG 3.43Å; D165-N184 PolarHBondContact OD1-ND2 2.88Å; D165-N184 PolarHBondContact OD2-ND2 3.3Å; S180-N184 WeakPolarHBondContact OG-CB 3.26Å; D181-N184 PolarHBondContact O-N 2.82Å; D181-N184 PolarHBondContact OD1-ND2 3.39Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 3.36Å; N184-R187 WeakPolarHBondContact O-CB 3.44Å; N184-R187 PolarHBondContact O-N 2.9Å; N184-G243 PolarHBondContact ND2-N 2.98Å; N184-G243 VanDerWaalsContact ND2-N 3.2Å |
| 185 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D181 R187 T188 Y191 W198 V216 | D181-A185 VanDerWaalsContact O-CB 3.31Å; D181-A185 WeakPolarHBondContact O-CB 3.36Å; D181-A185 PolarHBondContact O-N 3.2Å; A185-R187 PolarHBondContact O-N 3.37Å; A185-R187 VanDerWaalsContact O-N 3.11Å; A185-T188 WeakPolarHBondContact O-CB 3.49Å; A185-T188 WeakPolarHBondContact O-CG2 3.42Å; A185-T188 PolarHBondContact O-N 2.89Å; A185-T188 VanDerWaalsContact O-N 3.07Å; A185-T188 PolarHBondContact O-OG1 3.34Å; A185-Y191 HydrophobicContact CB-CD1 4.09Å; A185-Y191 HydrophobicContact CB-CD2 4.06Å; A185-Y191 HydrophobicContact CB-CE1 4.44Å; A185-Y191 HydrophobicContact CB-CE2 4.44Å; A185-Y191 HydrophobicContact CB-CG 3.87Å; A185-Y191 WeakPolarHBondContact O-CB 3.26Å; A185-W198 HydrophobicContact CB-CH2 4.15Å; A185-W198 HydrophobicContact CB-CZ2 4.49Å; A185-V216 HydrophobicContact CB-CB 4.39Å; A185-V216 HydrophobicContact CB-CG1 3.65Å; A185-V216 HydrophobicContact CB-CG2 3.75Å |
| 186 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -19.4 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | L129 Y182 T183 N184 T288 I289 | L129-S186 WeakPolarHBondContact CD1-O 3.44Å; Y182-S186 VanDerWaalsContact O-CB 3.26Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 3Å; Y182-S186 PolarHBondContact O-OG 2.91Å; T183-S186 PolarHBondContact O-N 3.38Å; T183-S186 PolarHBondContact O-OG 3.12Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 3.36Å; S186-T288 PolarHBondContact OG-OG1 3.37Å; S186-I289 PolarHBondContact OG-N 3.23Å |
| 187 | R | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.3 | 178.1 | -59.9 | -43.5 | -64.7 | -146.2 | -25.7 | 114.7 | R82 E83 Y134 F135 T183 N184 A185 M189 T288 E302 | R82-R187 HydrophobicContact CB-CG 4.29Å; E83-R187 HydrophobicContact CG-CB 4.08Å; E83-R187 VanDerWaalsContact OE1-CB 3.3Å; E83-R187 WeakPolarHBondContact OE1-CB 3.31Å; E83-R187 WeakPolarHBondContact OE1-CG 3.43Å; E83-R187 IonicContact OE1-CZ 3.87Å; E83-R187 IonicContact OE1-NE 3.13Å; E83-R187 PolarHBondContact OE1-NE 2.82Å; E83-R187 IonicContact OE1-NH2 3.82Å; E83-R187 PolarHBondContact OE1-NH2 3.46Å; Y134-R187 PolarHBondContact OH-NH2 3.13Å; F135-R187 WeakPolarHBondContact CD1-O 3.3Å; T183-R187 WeakPolarHBondContact O-CG 3.47Å; T183-R187 PolarHBondContact O-N 3.15Å; N184-R187 WeakPolarHBondContact O-CB 3.44Å; N184-R187 PolarHBondContact O-N 2.9Å; A185-R187 PolarHBondContact O-N 3.37Å; A185-R187 VanDerWaalsContact O-N 3.11Å; R187-M189 VanDerWaalsContact C-N 3.3Å; R187-M189 PolarHBondContact O-N 2.9Å; R187-T288 VanDerWaalsContact CD-OG1 3.26Å; R187-T288 WeakPolarHBondContact CD-OG1 3.49Å; R187-T288 PolarHBondContact NH1-OG1 2.91Å; R187-E302 IonicContact CZ-OE1 2.64Å; R187-E302 IonicContact CZ-OE2 3.56Å; R187-E302 IonicContact NH1-OE1 2.72Å; R187-E302 IonicContact NH1-OE2 3.33Å; R187-E302 PolarHBondContact NH1-OE2 3.01Å; R187-E302 IonicContact NH2-OE1 2.56Å; R187-E302 PolarHBondContact NH2-OE1 2.88Å; R187-E302 IonicContact NH2-OE2 2.81Å; R187-E302 PolarHBondContact NH2-OE2 3.32Å |
| 188 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -76.5 | -19 | -176 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | S136 A137 F161 T163 A185 M190 Y191 W198 | S136-T188 PolarHBondContact N-O 3.36Å; A137-T188 VanDerWaalsContact CB-O 3.27Å; A137-T188 WeakPolarHBondContact CB-O 3.39Å; A137-T188 PolarHBondContact N-O 3.44Å; F161-T188 HydrophobicContact CE1-CG2 4.24Å; F161-T188 HydrophobicContact CZ-CG2 4.04Å; T163-T188 HydrophobicContact CG2-CG2 4.33Å; A185-T188 WeakPolarHBondContact O-CB 3.49Å; A185-T188 WeakPolarHBondContact O-CG2 3.42Å; A185-T188 PolarHBondContact O-N 2.89Å; A185-T188 VanDerWaalsContact O-N 3.07Å; A185-T188 PolarHBondContact O-OG1 3.34Å; T188-M190 HydrophobicContact CG2-CE 4.33Å; T188-M190 PolarHBondContact O-N 2.81Å; T188-M190 PolarHBondContact OG1-N 2.97Å; T188-Y191 PolarHBondContact OG1-N 3.13Å; T188-W198 HydrophobicContact CG2-CH2 4.03Å; T188-W198 HydrophobicContact CG2-CZ3 4.09Å; T188-W198 WeakPolarHBondContact OG1-CZ3 3.41Å |
| 189 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 63 | 10.7 | -163.5 | -159 | -176 | 81 | 0 | 0 | 113.6 | L114 I123 L129 F135 A137 T138 R187 I202 L206 | L114-M189 HydrophobicContact CD1-CE 4.41Å; I123-M189 HydrophobicContact CG2-CG 3.58Å; I123-M189 HydrophobicContact CG2-SD 3.91Å; L129-M189 HydrophobicContact CD1-CB 4.01Å; L129-M189 HydrophobicContact CD1-CG 4.47Å; F135-M189 HydrophobicContact CB-CB 3.77Å; F135-M189 HydrophobicContact CD2-SD 4.28Å; F135-M189 HydrophobicContact CG-CB 4.34Å; A137-M189 HydrophobicContact CB-CB 3.92Å; A137-M189 HydrophobicContact CB-CE 3.66Å; T138-M189 HydrophobicContact CG2-CE 4.12Å; R187-M189 VanDerWaalsContact C-N 3.3Å; R187-M189 PolarHBondContact O-N 2.9Å; M189-I202 WeakPolarHBondContact O-CG2 3.47Å; M189-L206 HydrophobicContact CE-CD1 4.4Å |
| 190 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -114.8 | -7.5 | 177.1 | -56 | -178.1 | -74.5 | 0 | 0 | 112.9 | A137 V140 F161 T188 W198 D199 L203 I208 L213 | A137-M190 HydrophobicContact CB-CG 3.54Å; A137-M190 HydrophobicContact CB-SD 4.21Å; V140-M190 HydrophobicContact CG2-CE 4.11Å; F161-M190 HydrophobicContact CD1-CE 4.09Å; F161-M190 HydrophobicContact CE1-CE 3.45Å; F161-M190 VanDerWaalsContact CE1-CE 3.45Å; F161-M190 HydrophobicContact CE2-CE 4.29Å; F161-M190 HydrophobicContact CZ-CE 3.57Å; T188-M190 HydrophobicContact CG2-CE 4.33Å; T188-M190 PolarHBondContact O-N 2.81Å; T188-M190 PolarHBondContact OG1-N 2.97Å; M190-W198 HydrophobicContact CB-CE3 3.92Å; M190-W198 HydrophobicContact CB-CZ3 3.94Å; M190-W198 HydrophobicContact CE-CZ3 4.47Å; M190-D199 PolarHBondContact O-N 2.98Å; M190-L203 HydrophobicContact CB-CD2 4.18Å; M190-L203 HydrophobicContact CG-CD2 4.37Å; M190-L203 HydrophobicContact SD-CD2 4.03Å; M190-I208 HydrophobicContact SD-CD1 3.52Å; M190-I208 VanDerWaalsContact SD-CD1 3.52Å; M190-I208 HydrophobicContact SD-CG2 4.22Å; M190-L213 HydrophobicContact CE-CD2 4.23Å; M190-L213 HydrophobicContact SD-CD2 4.48Å |
| 191 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.6 | -176.4 | -166.5 | -105 | 0 | 0 | 0 | 110.8 | Y182 A185 T188 I193 L196 K197 W198 V216 I289 | Y182-Y191 HydrophobicContact CD1-CE1 4.2Å; Y182-Y191 WeakPolarHBondContact CD1-OH 3.49Å; Y182-Y191 VanDerWaalsContact CE1-OH 3.3Å; Y182-Y191 WeakPolarHBondContact CE1-OH 3.33Å; A185-Y191 HydrophobicContact CB-CD1 4.09Å; A185-Y191 HydrophobicContact CB-CD2 4.06Å; A185-Y191 HydrophobicContact CB-CE1 4.44Å; A185-Y191 HydrophobicContact CB-CE2 4.44Å; A185-Y191 HydrophobicContact CB-CG 3.87Å; A185-Y191 WeakPolarHBondContact O-CB 3.26Å; T188-Y191 PolarHBondContact OG1-N 3.13Å; Y191-I193 PolarHBondContact O-N 3.17Å; Y191-L196 HydrophobicContact CE1-CD2 4.36Å; Y191-L196 VanDerWaalsContact OH-CA 3.32Å; Y191-L196 WeakPolarHBondContact OH-CA 3.02Å; Y191-L196 PolarHBondContact OH-O 3.39Å; Y191-K197 VanDerWaalsContact CE2-CA 3.45Å; Y191-W198 AromaticContact CD2-CD2 3.87Å; Y191-W198 HydrophobicContact CD2-CD2 3.87Å; Y191-W198 AromaticContact CD2-CE3 3.89Å; Y191-W198 HydrophobicContact CD2-CE3 3.89Å; Y191-W198 HydrophobicContact CD2-CG 4.29Å; Y191-W198 HydrophobicContact CD2-CZ3 4.26Å; Y191-W198 HydrophobicContact CG-CE3 4.45Å; Y191-V216 HydrophobicContact CD2-CG2 4.03Å; Y191-V216 HydrophobicContact CE1-CG1 4.42Å; Y191-V216 HydrophobicContact CE2-CB 3.84Å; Y191-V216 HydrophobicContact CE2-CG1 3.89Å; Y191-V216 HydrophobicContact CE2-CG2 3.64Å; Y191-I289 HydrophobicContact CE1-CD1 4.14Å |
| 192 | N | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 113.4 | 174.6 | -169.7 | -50.6 | 0 | 0 | 0 | 109.4 | K126 Y194 D195 L196 K197 D199 | K126-N192 CarbonylContact O-C 3.45Å; K126-N192 VanDerWaalsContact O-CA 3.29Å; K126-N192 WeakPolarHBondContact O-CA 3.38Å; K126-N192 PolarHBondContact O-OD1 3.11Å; N192-Y194 VanDerWaalsContact C-N 3.26Å; N192-Y194 PolarHBondContact O-N 3.13Å; N192-Y194 PolarHBondContact OD1-N 3.23Å; N192-D195 HydrophobicContact CB-CB 4.24Å; N192-D195 PolarHBondContact OD1-N 2.84Å; N192-L196 WeakPolarHBondContact O-CA 3.23Å; N192-L196 PolarHBondContact O-N 3.39Å; N192-K197 WeakPolarHBondContact CB-O 3.31Å; N192-K197 PolarHBondContact N-O 2.84Å; N192-K197 PolarHBondContact O-N 2.95Å; N192-D199 HydrophobicContact CB-CB 4.1Å; N192-D199 PolarHBondContact ND2-OD2 2.79Å |
| 193 | I | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.5 | -173.5 | 66.8 | 166.7 | 0 | 0 | 0 | 113.2 | K126 T127 Y191 L196 T287 I289 Y299 | K126-I193 PolarHBondContact O-N 3.39Å; T127-I193 WeakPolarHBondContact O-CG2 3.32Å; Y191-I193 PolarHBondContact O-N 3.17Å; I193-L196 WeakPolarHBondContact O-CD2 3.48Å; I193-T287 HydrophobicContact CD1-CG2 3.97Å; I193-I289 HydrophobicContact CB-CD1 4.16Å; I193-I289 HydrophobicContact CB-CG1 4.07Å; I193-I289 HydrophobicContact CG2-CD1 4.2Å; I193-I289 HydrophobicContact CG2-CG1 4.13Å; I193-Y299 HydrophobicContact CB-CE1 4.19Å; I193-Y299 HydrophobicContact CD1-CD1 4.33Å; I193-Y299 HydrophobicContact CD1-CE1 4.16Å; I193-Y299 HydrophobicContact CG1-CE1 4.3Å; I193-Y299 WeakPolarHBondContact O-CE1 3.29Å; I193-Y299 PolarHBondContact O-OH 2.82Å |
| 194 | Y | 97.5 | Very high | 98.6 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -45.1 | -179.9 | -53.3 | -88.7 | 0 | 0 | 0 | 110.9 | K125 K126 N192 L196 P278 | K125-Y194 WeakPolarHBondContact O-CD2 3.21Å; K125-Y194 WeakPolarHBondContact O-CE2 3.44Å; K126-Y194 WeakPolarHBondContact O-CD2 3.46Å; N192-Y194 VanDerWaalsContact C-N 3.26Å; N192-Y194 PolarHBondContact O-N 3.13Å; N192-Y194 PolarHBondContact OD1-N 3.23Å; Y194-L196 VanDerWaalsContact C-N 3.33Å; Y194-P278 HydrophobicContact CD1-CG 3.93Å; Y194-P278 HydrophobicContact CE1-CB 4.08Å; Y194-P278 HydrophobicContact CE1-CG 3.54Å |
| 195 | D | 97.8 | Very high | 98.6 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 49% | 0.492 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.8 | 177.2 | -77.6 | 0.4 | 0 | 0 | 0 | 113.1 | N192 K197 | N192-D195 HydrophobicContact CB-CB 4.24Å; N192-D195 PolarHBondContact OD1-N 2.84Å; D195-K197 HydrophobicContact CB-CD 4.02Å; D195-K197 HydrophobicContact CB-CG 3.95Å; D195-K197 PolarHBondContact O-N 2.97Å; D195-K197 WeakPolarHBondContact OD2-CE 3.38Å; D195-K197 IonicContact OD2-NZ 3.71Å; D195-K197 PolarHBondContact OD2-NZ 3.29Å |
| 196 | L | 98.4 | Very high | 98.6 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 49.4 | -177.3 | -56.9 | 176.3 | 0 | 0 | 0 | 113.1 | Y182 Y191 N192 I193 Y194 I289 V297 | Y182-L196 HydrophobicContact CD1-CD2 4.44Å; Y182-L196 HydrophobicContact CE1-CB 4.46Å; Y182-L196 HydrophobicContact CE1-CD2 4.48Å; Y191-L196 HydrophobicContact CE1-CD2 4.36Å; Y191-L196 VanDerWaalsContact OH-CA 3.32Å; Y191-L196 WeakPolarHBondContact OH-CA 3.02Å; Y191-L196 PolarHBondContact OH-O 3.39Å; N192-L196 WeakPolarHBondContact O-CA 3.23Å; N192-L196 PolarHBondContact O-N 3.39Å; I193-L196 WeakPolarHBondContact O-CD2 3.48Å; Y194-L196 VanDerWaalsContact C-N 3.33Å; L196-I289 HydrophobicContact CD2-CD1 3.72Å; L196-V297 HydrophobicContact CD1-CG2 3.7Å; L196-V297 HydrophobicContact CD2-CG1 4.42Å; L196-V297 HydrophobicContact CD2-CG2 4.21Å |
| 197 | K | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 40 Ų | 40 | 47% | 0.47 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.7 | 177.7 | 68.7 | -168.9 | -179.3 | -149.7 | 0 | 111.7 | Y191 N192 D195 D199 | Y191-K197 VanDerWaalsContact CE2-CA 3.45Å; N192-K197 WeakPolarHBondContact CB-O 3.31Å; N192-K197 PolarHBondContact N-O 2.84Å; N192-K197 PolarHBondContact O-N 2.95Å; D195-K197 HydrophobicContact CB-CD 4.02Å; D195-K197 HydrophobicContact CB-CG 3.95Å; D195-K197 PolarHBondContact O-N 2.97Å; D195-K197 WeakPolarHBondContact OD2-CE 3.38Å; D195-K197 IonicContact OD2-NZ 3.71Å; D195-K197 PolarHBondContact OD2-NZ 3.29Å; K197-D199 PolarHBondContact O-N 2.98Å |
| 198 | W | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 130.4 | 167.2 | -62.6 | 117.1 | 0 | 0 | 0 | 110.5 | F161 A185 T188 M190 Y191 Q200 L203 L213 P214 V216 | F161-W198 HydrophobicContact CE1-CH2 4.45Å; A185-W198 HydrophobicContact CB-CH2 4.15Å; A185-W198 HydrophobicContact CB-CZ2 4.49Å; T188-W198 HydrophobicContact CG2-CH2 4.03Å; T188-W198 HydrophobicContact CG2-CZ3 4.09Å; T188-W198 WeakPolarHBondContact OG1-CZ3 3.41Å; M190-W198 HydrophobicContact CB-CE3 3.92Å; M190-W198 HydrophobicContact CB-CZ3 3.94Å; M190-W198 HydrophobicContact CE-CZ3 4.47Å; Y191-W198 AromaticContact CD2-CD2 3.87Å; Y191-W198 HydrophobicContact CD2-CD2 3.87Å; Y191-W198 AromaticContact CD2-CE3 3.89Å; Y191-W198 HydrophobicContact CD2-CE3 3.89Å; Y191-W198 HydrophobicContact CD2-CG 4.29Å; Y191-W198 HydrophobicContact CD2-CZ3 4.26Å; Y191-W198 HydrophobicContact CG-CE3 4.45Å; W198-Q200 PolarHBondContact O-N 2.66Å; W198-L203 HydrophobicContact CB-CD1 4.34Å; W198-L213 HydrophobicContact CB-CD1 3.9Å; W198-L213 HydrophobicContact CD2-CB 4.3Å; W198-L213 HydrophobicContact CD2-CD1 3.84Å; W198-L213 HydrophobicContact CD2-CD2 4.41Å; W198-L213 HydrophobicContact CD2-CG 4.41Å; W198-L213 HydrophobicContact CE3-CD1 4.26Å; W198-L213 HydrophobicContact CE3-CD2 4.36Å; W198-L213 HydrophobicContact CG-CB 4.41Å; W198-L213 HydrophobicContact CG-CD1 3.65Å; W198-L213 HydrophobicContact CZ2-CB 4.42Å; W198-L213 HydrophobicContact CZ3-CD2 4.47Å; W198-P214 HydrophobicContact CZ2-CG 4.03Å; W198-P214 PolarHBondContact NE1-O 2.74Å; W198-V216 HydrophobicContact CH2-CG2 4.31Å; W198-V216 HydrophobicContact CZ2-CG2 3.42Å; W198-V216 VanDerWaalsContact CZ2-CG2 3.42Å |
| 199 | D | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | trans | -89.7 | 108.1 | -173 | -162.2 | -74.8 | 0 | 0 | 0 | 111.3 | K126 M190 N192 K197 E201 I202 L203 | K126-D199 WeakPolarHBondContact CD-OD2 3.5Å; K126-D199 VanDerWaalsContact NZ-CG 3.31Å; K126-D199 IonicContact NZ-OD1 2.98Å; K126-D199 PolarHBondContact NZ-OD1 3.13Å; K126-D199 IonicContact NZ-OD2 3.75Å; K126-D199 PolarHBondContact NZ-OD2 3.04Å; M190-D199 PolarHBondContact O-N 2.98Å; N192-D199 HydrophobicContact CB-CB 4.1Å; N192-D199 PolarHBondContact ND2-OD2 2.79Å; K197-D199 PolarHBondContact O-N 2.98Å; D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 2.63Å; D199-E201 WeakPolarHBondContact OD1-CB 3.15Å; D199-E201 PolarHBondContact OD1-N 3.4Å; D199-E201 VanDerWaalsContact OD1-N 3.17Å; D199-I202 HydrophobicContact CB-CB 4.33Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 4.03Å; D199-I202 PolarHBondContact O-N 3.13Å; D199-I202 PolarHBondContact OD1-N 3.26Å; D199-L203 WeakPolarHBondContact O-CG 3.47Å; D199-L203 PolarHBondContact O-N 3.21Å; D199-L203 VanDerWaalsContact O-N 3.07Å | ||
| 200 | Q | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.2 | -33.7 | -176.1 | -169.1 | 63.4 | 56.5 | 0 | 0 | 113.1 | W198 I202 L203 D204 | W198-Q200 PolarHBondContact O-N 2.66Å; Q200-I202 VanDerWaalsContact C-N 3.33Å; Q200-I202 PolarHBondContact O-N 3.23Å; Q200-L203 PolarHBondContact O-N 3.25Å; Q200-D204 PolarHBondContact NE2-OD1 3.42Å; Q200-D204 WeakPolarHBondContact O-CB 3.32Å; Q200-D204 PolarHBondContact O-N 2.86Å |
| 201 | E | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | -179.8 | -172.2 | -179.3 | 169.9 | 0 | 0 | 111.3 | K126 D199 L205 | K126-E201 WeakPolarHBondContact CE-OE2 3.31Å; K126-E201 IonicContact NZ-OE2 3.03Å; K126-E201 PolarHBondContact NZ-OE2 3.39Å; D199-E201 VanDerWaalsContact C-N 3.26Å; D199-E201 PolarHBondContact O-N 2.63Å; D199-E201 WeakPolarHBondContact OD1-CB 3.15Å; D199-E201 PolarHBondContact OD1-N 3.4Å; D199-E201 VanDerWaalsContact OD1-N 3.17Å; E201-L205 VanDerWaalsContact O-CB 3.28Å; E201-L205 WeakPolarHBondContact O-CB 3.27Å; E201-L205 PolarHBondContact O-N 3.33Å |
| 202 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.9 | -40.7 | 176.4 | -56.3 | 178.2 | 0 | 0 | 0 | 111.1 | M122 I123 K126 T127 M189 D199 Q200 L205 L206 | M122-I202 HydrophobicContact CE-CG1 4.43Å; M122-I202 HydrophobicContact SD-CG1 4.03Å; I123-I202 HydrophobicContact CD1-CB 4.43Å; I123-I202 HydrophobicContact CD1-CD1 3.7Å; I123-I202 HydrophobicContact CD1-CG1 3.74Å; I123-I202 HydrophobicContact CD1-CG2 3.93Å; K126-I202 HydrophobicContact CB-CD1 4.24Å; K126-I202 HydrophobicContact CD-CD1 4.04Å; K126-I202 HydrophobicContact CD-CG1 4.14Å; T127-I202 HydrophobicContact CG2-CD1 3.53Å; M189-I202 WeakPolarHBondContact O-CG2 3.47Å; D199-I202 HydrophobicContact CB-CB 4.33Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 4.03Å; D199-I202 PolarHBondContact O-N 3.13Å; D199-I202 PolarHBondContact OD1-N 3.26Å; Q200-I202 VanDerWaalsContact C-N 3.33Å; Q200-I202 PolarHBondContact O-N 3.23Å; I202-L205 PolarHBondContact O-N 2.91Å; I202-L206 HydrophobicContact CG2-CD1 4.03Å; I202-L206 PolarHBondContact O-N 2.86Å; I202-L206 VanDerWaalsContact O-N 3.1Å |
| 203 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 176.6 | -65.7 | 175.5 | 0 | 0 | 0 | 111.3 | M190 W198 D199 Q200 L206 D207 I208 K210 L213 | M190-L203 HydrophobicContact CB-CD2 4.18Å; M190-L203 HydrophobicContact CG-CD2 4.37Å; M190-L203 HydrophobicContact SD-CD2 4.03Å; W198-L203 HydrophobicContact CB-CD1 4.34Å; D199-L203 WeakPolarHBondContact O-CG 3.47Å; D199-L203 PolarHBondContact O-N 3.21Å; D199-L203 VanDerWaalsContact O-N 3.07Å; Q200-L203 PolarHBondContact O-N 3.25Å; L203-L206 PolarHBondContact O-N 3.14Å; L203-D207 WeakPolarHBondContact O-CA 3.48Å; L203-D207 PolarHBondContact O-N 3.49Å; L203-I208 HydrophobicContact CD2-CB 4.01Å; L203-I208 HydrophobicContact CD2-CG2 3.92Å; L203-I208 PolarHBondContact O-N 3.36Å; L203-K210 HydrophobicContact CD1-CB 4.18Å; L203-L213 HydrophobicContact CD1-CD1 3.58Å; L203-L213 HydrophobicContact CD2-CD1 3.85Å; L203-L213 HydrophobicContact CD2-CD2 4.5Å; L203-L213 HydrophobicContact CG-CD1 4.37Å |
| 204 | D | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 51 Ų | 51 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.5 | -42.6 | 176.9 | -68.5 | -14.7 | 0 | 0 | 0 | 111.2 | Q200 L206 D207 | Q200-D204 PolarHBondContact NE2-OD1 3.42Å; Q200-D204 WeakPolarHBondContact O-CB 3.32Å; Q200-D204 PolarHBondContact O-N 2.86Å; D204-L206 VanDerWaalsContact C-N 3.28Å; D204-L206 PolarHBondContact O-N 3.21Å; D204-D207 PolarHBondContact O-N 2.86Å |
| 205 | L | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 177.5 | 175.2 | 61.7 | 0 | 0 | 0 | 112.5 | L114 H119 M122 E201 I202 | L114-L205 HydrophobicContact CD2-CD1 4.31Å; L114-L205 HydrophobicContact CD2-CD2 3.93Å; L114-L205 HydrophobicContact CD2-CG 4.02Å; H119-L205 HydrophobicContact CB-CD2 4.22Å; H119-L205 WeakPolarHBondContact NE2-CD1 3.24Å; M122-L205 HydrophobicContact CE-CD2 3.64Å; E201-L205 VanDerWaalsContact O-CB 3.28Å; E201-L205 WeakPolarHBondContact O-CB 3.27Å; E201-L205 PolarHBondContact O-N 3.33Å; I202-L205 PolarHBondContact O-N 2.91Å |
| 206 | L | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -95.4 | -1.3 | -178.4 | -63.9 | 172.9 | 0 | 0 | 0 | 113.6 | L114 A137 K141 M189 I202 L203 D204 I208 | L114-L206 HydrophobicContact CD1-CD2 3.74Å; L114-L206 HydrophobicContact CD2-CD2 3.92Å; L114-L206 HydrophobicContact CG-CD2 4.37Å; A137-L206 HydrophobicContact CB-CD1 3.55Å; K141-L206 HydrophobicContact CD-CB 4.3Å; K141-L206 HydrophobicContact CD-CD2 3.74Å; M189-L206 HydrophobicContact CE-CD1 4.4Å; I202-L206 HydrophobicContact CG2-CD1 4.03Å; I202-L206 PolarHBondContact O-N 2.86Å; I202-L206 VanDerWaalsContact O-N 3.1Å; L203-L206 PolarHBondContact O-N 3.14Å; D204-L206 VanDerWaalsContact C-N 3.28Å; D204-L206 PolarHBondContact O-N 3.21Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CD1 3.68Å; L206-I208 HydrophobicContact CB-CG1 3.77Å; L206-I208 HydrophobicContact CD1-CD1 3.98Å; L206-I208 PolarHBondContact O-N 3.2Å |
| 207 | D | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 50.9 | -172.7 | -177 | 34.3 | 0 | 0 | 0 | 111.7 | R151 R155 L203 D204 | R151-D207 VanDerWaalsContact CD-OD2 3.28Å; R151-D207 WeakPolarHBondContact CD-OD2 3.48Å; R151-D207 IonicContact CZ-OD2 3.17Å; R151-D207 IonicContact NE-OD2 3.91Å; R151-D207 VanDerWaalsContact NH1-CB 3.34Å; R151-D207 VanDerWaalsContact NH1-CG 3.28Å; R151-D207 PolarHBondContact NH1-O 3.03Å; R151-D207 IonicContact NH1-OD2 3.09Å; R151-D207 PolarHBondContact NH1-OD2 3.34Å; R155-D207 IonicContact CZ-OD1 3.71Å; R155-D207 IonicContact NH2-OD1 3.33Å; R155-D207 PolarHBondContact NH2-OD1 3.42Å; R155-D207 IonicContact NH2-OD2 2.88Å; R155-D207 PolarHBondContact NH2-OD2 2.84Å; L203-D207 WeakPolarHBondContact O-CA 3.48Å; L203-D207 PolarHBondContact O-N 3.49Å; D204-D207 PolarHBondContact O-N 2.86Å |
| 208 | I | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -100.2 | 114.4 | 176.9 | -62.6 | 175.2 | 0 | 0 | 0 | 108.7 | V140 M190 L203 L206 K210 I212 | V140-I208 HydrophobicContact CB-CD1 4.03Å; V140-I208 HydrophobicContact CG1-CD1 3.85Å; V140-I208 HydrophobicContact CG1-CG1 4.02Å; V140-I208 HydrophobicContact CG1-CG2 3.86Å; M190-I208 HydrophobicContact SD-CD1 3.52Å; M190-I208 VanDerWaalsContact SD-CD1 3.52Å; M190-I208 HydrophobicContact SD-CG2 4.22Å; L203-I208 HydrophobicContact CD2-CB 4.01Å; L203-I208 HydrophobicContact CD2-CG2 3.92Å; L203-I208 PolarHBondContact O-N 3.36Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CD1 3.68Å; L206-I208 HydrophobicContact CB-CG1 3.77Å; L206-I208 HydrophobicContact CD1-CD1 3.98Å; L206-I208 PolarHBondContact O-N 3.2Å; I208-K210 PolarHBondContact O-N 3.35Å; I208-I212 HydrophobicContact CG2-CD1 3.79Å; I208-I212 HydrophobicContact CG2-CG1 4.46Å | ||
| 209 | P | 98.2 | Very high | 98.6 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | trans | -62.8 | 130.8 | 177.8 | -22.3 | 34.7 | 0 | 0 | 0 | 111 | A154 R155 E211 I212 | A154-P209 HydrophobicContact CB-CB 4.41Å; A154-P209 HydrophobicContact CB-CG 3.9Å; R155-P209 HydrophobicContact CG-CB 4Å; R155-P209 HydrophobicContact CG-CG 3.55Å; P209-E211 WeakPolarHBondContact CB-OE2 3.26Å; P209-E211 PolarHBondContact O-N 3.01Å; P209-I212 WeakPolarHBondContact O-CG1 3.46Å; P209-I212 PolarHBondContact O-N 3.4Å | ||
| 210 | K | 98.1 | Very high | 98.6 | Very high | 120 Ų | 120 | 43.7 Ų | 43.7 | 52% | 0.522 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -65.8 | -20.7 | -179.5 | 66.8 | -179.3 | -178.4 | -176.7 | 0 | 113.1 | L203 I208 I212 L213 | L203-K210 HydrophobicContact CD1-CB 4.18Å; I208-K210 PolarHBondContact O-N 3.35Å; K210-I212 PolarHBondContact O-N 2.99Å; K210-L213 HydrophobicContact CB-CD1 4.26Å; K210-L213 WeakPolarHBondContact O-CB 3.47Å; K210-L213 WeakPolarHBondContact O-CG 3.49Å; K210-L213 PolarHBondContact O-N 3.41Å; K210-L213 VanDerWaalsContact O-N 3.13Å |
| 211 | E | 97.9 | Very high | 98.6 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.421 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -62.4 | -21.5 | -176.8 | -68.2 | 68.6 | -151.3 | 0 | 0 | 112.9 | P209 | P209-E211 WeakPolarHBondContact CB-OE2 3.26Å; P209-E211 PolarHBondContact O-N 3.01Å |
| 212 | I | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -85.1 | -11.7 | 179.1 | 75.9 | -177.6 | 0 | 0 | 0 | 113.1 | V140 L144 A154 L159 F161 H178 I208 P209 K210 | V140-I212 HydrophobicContact CG1-CD1 3.89Å; L144-I212 HydrophobicContact CD1-CD1 4.49Å; A154-I212 HydrophobicContact CB-CG2 3.57Å; L159-I212 HydrophobicContact CB-CG2 4.48Å; L159-I212 WeakPolarHBondContact O-CG2 3.44Å; F161-I212 HydrophobicContact CB-CB 4.09Å; F161-I212 HydrophobicContact CB-CD1 3.74Å; F161-I212 HydrophobicContact CB-CG1 3.68Å; F161-I212 PolarHBondContact N-O 3.16Å; H178-I212 PolarHBondContact CE1-O 3.18Å; H178-I212 VanDerWaalsContact CE1-O 3.25Å; I208-I212 HydrophobicContact CG2-CD1 3.79Å; I208-I212 HydrophobicContact CG2-CG1 4.46Å; P209-I212 WeakPolarHBondContact O-CG1 3.46Å; P209-I212 PolarHBondContact O-N 3.4Å; K210-I212 PolarHBondContact O-N 2.99Å |
| 213 | L | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 138.1 | -167.7 | -58.7 | 173 | 0 | 0 | 0 | 111.6 | F161 M190 W198 L203 K210 | F161-L213 HydrophobicContact CD1-CD2 3.87Å; F161-L213 HydrophobicContact CE1-CD2 4.36Å; M190-L213 HydrophobicContact CE-CD2 4.23Å; M190-L213 HydrophobicContact SD-CD2 4.48Å; W198-L213 HydrophobicContact CB-CD1 3.9Å; W198-L213 HydrophobicContact CD2-CB 4.3Å; W198-L213 HydrophobicContact CD2-CD1 3.84Å; W198-L213 HydrophobicContact CD2-CD2 4.41Å; W198-L213 HydrophobicContact CD2-CG 4.41Å; W198-L213 HydrophobicContact CE3-CD1 4.26Å; W198-L213 HydrophobicContact CE3-CD2 4.36Å; W198-L213 HydrophobicContact CG-CB 4.41Å; W198-L213 HydrophobicContact CG-CD1 3.65Å; W198-L213 HydrophobicContact CZ2-CB 4.42Å; W198-L213 HydrophobicContact CZ3-CD2 4.47Å; L203-L213 HydrophobicContact CD1-CD1 3.58Å; L203-L213 HydrophobicContact CD2-CD1 3.85Å; L203-L213 HydrophobicContact CD2-CD2 4.5Å; L203-L213 HydrophobicContact CG-CD1 4.37Å; K210-L213 HydrophobicContact CB-CD1 4.26Å; K210-L213 WeakPolarHBondContact O-CB 3.47Å; K210-L213 WeakPolarHBondContact O-CG 3.49Å; K210-L213 PolarHBondContact O-N 3.41Å; K210-L213 VanDerWaalsContact O-N 3.13Å |
| 214 | P | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 160.7 | 175.7 | 28.1 | -31.4 | 0 | 0 | 0 | 112.1 | T166 H178 W198 | T166-P214 HydrophobicContact CG2-CB 3.85Å; T166-P214 HydrophobicContact CG2-CG 4.09Å; H178-P214 VanDerWaalsContact CE1-CA 3.41Å; H178-P214 WeakPolarHBondContact CE1-CA 3.47Å; H178-P214 VanDerWaalsContact CE1-N 3.33Å; W198-P214 HydrophobicContact CZ2-CG 4.03Å; W198-P214 PolarHBondContact NE1-O 2.74Å |
| 215 | E | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140.6 | 162.3 | -67.4 | -174.8 | 178.5 | 0 | 0 | 109.8 | H178 V179 S180 K217 | H178-E215 PolarHBondContact O-N 2.6Å; V179-E215 CarbonylContact C-O 3.57Å; V179-E215 VanDerWaalsContact CA-O 3.28Å; V179-E215 WeakPolarHBondContact CA-O 3.46Å; V179-E215 HydrophobicContact CG2-CB 4.48Å; V179-E215 WeakPolarHBondContact CG2-O 3.25Å; S180-E215 PolarHBondContact N-O 3.23Å; E215-K217 WeakPolarHBondContact OE2-CE 3.49Å; E215-K217 IonicContact OE2-NZ 3.99Å |
| 216 | V | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 40 Ų | 40 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.1 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | S180 Y182 A185 Y191 W198 | S180-V216 CarbonylContact O-C 3.58Å; S180-V216 WeakPolarHBondContact O-CA 3.2Å; Y182-V216 HydrophobicContact CD1-CG1 3.6Å; Y182-V216 HydrophobicContact CE1-CG1 4Å; Y182-V216 HydrophobicContact CG-CG1 4.4Å; A185-V216 HydrophobicContact CB-CB 4.39Å; A185-V216 HydrophobicContact CB-CG1 3.65Å; A185-V216 HydrophobicContact CB-CG2 3.75Å; Y191-V216 HydrophobicContact CD2-CG2 4.03Å; Y191-V216 HydrophobicContact CE1-CG1 4.42Å; Y191-V216 HydrophobicContact CE2-CB 3.84Å; Y191-V216 HydrophobicContact CE2-CG1 3.89Å; Y191-V216 HydrophobicContact CE2-CG2 3.64Å; W198-V216 HydrophobicContact CH2-CG2 4.31Å; W198-V216 HydrophobicContact CZ2-CG2 3.42Å; W198-V216 VanDerWaalsContact CZ2-CG2 3.42Å |
| 217 | K | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 176 | -174.5 | -66.6 | -163.2 | -177.8 | -172.5 | 0 | 112.2 | V179 S180 D181 Y182 E215 E221 Y223 | V179-K217 HydrophobicContact CG2-CB 4.02Å; V179-K217 HydrophobicContact CG2-CD 3.69Å; V179-K217 HydrophobicContact CG2-CG 3.62Å; S180-K217 PolarHBondContact O-N 3.35Å; D181-K217 CarbonylContact C-O 3.55Å; D181-K217 WeakPolarHBondContact CA-O 3.46Å; Y182-K217 WeakPolarHBondContact CD2-O 3.31Å; Y182-K217 PolarHBondContact N-O 3.22Å; E215-K217 WeakPolarHBondContact OE2-CE 3.49Å; E215-K217 IonicContact OE2-NZ 3.99Å; K217-E221 WeakPolarHBondContact CD-OE2 3.35Å; K217-Y223 HydrophobicContact CB-CD1 4.29Å; K217-Y223 HydrophobicContact CB-CE1 4.23Å; K217-Y223 HydrophobicContact CD-CD1 4.2Å |
| 218 | S | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -68.4 | 172.8 | 174.3 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | E221 Y223 | S218-E221 VanDerWaalsContact CB-OE1 3.32Å; S218-E221 WeakPolarHBondContact CB-OE1 3.23Å; S218-E221 PolarHBondContact N-OE1 3.44Å; S218-E221 WeakPolarHBondContact OG-CG 3.45Å; S218-E221 PolarHBondContact OG-OE1 3.21Å; S218-Y223 WeakPolarHBondContact O-CE1 3.23Å; S218-Y223 PolarHBondContact O-OH 3.21Å; S218-Y223 VanDerWaalsContact O-OH 3.1Å | ||
| 219 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -87.6 | -12.6 | -176.3 | -69.3 | 54.3 | 0 | 0 | 0 | 113 | D181 T183 Y223 G240 M241 G292 L445 | D181-N219 PolarHBondContact OD2-ND2 3.46Å; D181-N219 PolarHBondContact OD2-OD1 3.33Å; T183-N219 WeakPolarHBondContact CG2-ND2 3.28Å; N219-Y223 PolarHBondContact O-OH 2.64Å; N219-G240 WeakPolarHBondContact O-CA 3.39Å; N219-M241 WeakPolarHBondContact CA-O 3.3Å; N219-M241 VanDerWaalsContact CB-O 3.3Å; N219-M241 WeakPolarHBondContact CB-O 3.14Å; N219-M241 PolarHBondContact ND2-O 3.46Å; N219-M241 PolarHBondContact O-N 2.95Å; N219-G292 WeakPolarHBondContact CB-O 3.26Å; N219-G292 PolarHBondContact N-O 3.49Å; N219-G292 PolarHBondContact OD1-N 3.16Å; N219-L445 HydrophobicContact CB-CD1 4.15Å; N219-L445 HydrophobicContact CB-CD2 4.17Å |
| 220 | S | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 82.7 | -175.2 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | L445 A449 | S220-L445 PolarHBondContact OG-O 3.44Å; S220-A449 PolarHBondContact OG-N 3.42Å |
| 221 | E | 98.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 29% | 0.29 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 160.2 | 172.6 | 63.5 | 177.9 | 92.7 | 0 | 0 | 109.9 | K217 S218 Y223 A239 | K217-E221 WeakPolarHBondContact CD-OE2 3.35Å; S218-E221 VanDerWaalsContact CB-OE1 3.32Å; S218-E221 WeakPolarHBondContact CB-OE1 3.23Å; S218-E221 PolarHBondContact N-OE1 3.44Å; S218-E221 WeakPolarHBondContact OG-CG 3.45Å; S218-E221 PolarHBondContact OG-OE1 3.21Å; E221-Y223 HydrophobicContact CG-CD1 3.72Å; E221-Y223 HydrophobicContact CG-CE1 3.39Å; E221-Y223 WeakPolarHBondContact O-CE2 3.41Å; E221-Y223 PolarHBondContact O-N 3.32Å; E221-Y223 VanDerWaalsContact O-N 3.16Å; E221-A239 PolarHBondContact N-O 3.03Å; E221-A239 CarbonylContact O-C 3.4Å; E221-A239 WeakPolarHBondContact O-CA 3.4Å |
| 222 | V | 98.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 103.8 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 110 | Y225 P237 A239 V450 | V222-Y225 HydrophobicContact CG1-CE2 4.32Å; V222-P237 HydrophobicContact CG1-CB 4.05Å; V222-P237 HydrophobicContact CG2-CB 4.46Å; V222-A239 HydrophobicContact CG2-CB 4.26Å; V222-V450 HydrophobicContact CG2-CG1 4.4Å |
| 223 | Y | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -31.4 | 179.9 | -44.3 | -67.5 | 0 | 0 | 0 | 112.7 | K217 S218 N219 E221 I238 M241 | K217-Y223 HydrophobicContact CB-CD1 4.29Å; K217-Y223 HydrophobicContact CB-CE1 4.23Å; K217-Y223 HydrophobicContact CD-CD1 4.2Å; S218-Y223 WeakPolarHBondContact O-CE1 3.23Å; S218-Y223 PolarHBondContact O-OH 3.21Å; S218-Y223 VanDerWaalsContact O-OH 3.1Å; N219-Y223 PolarHBondContact O-OH 2.64Å; E221-Y223 HydrophobicContact CG-CD1 3.72Å; E221-Y223 HydrophobicContact CG-CE1 3.39Å; E221-Y223 WeakPolarHBondContact O-CE2 3.41Å; E221-Y223 PolarHBondContact O-N 3.32Å; E221-Y223 VanDerWaalsContact O-N 3.16Å; Y223-I238 HydrophobicContact CD2-CB 4.43Å; Y223-I238 HydrophobicContact CD2-CG2 4.04Å; Y223-I238 WeakPolarHBondContact CD2-O 3.22Å; Y223-I238 PolarHBondContact N-O 3Å; Y223-M241 HydrophobicContact CD1-CE 3.63Å; Y223-M241 HydrophobicContact CD2-CE 3.8Å; Y223-M241 HydrophobicContact CD2-CG 4.12Å; Y223-M241 HydrophobicContact CD2-SD 4.34Å; Y223-M241 HydrophobicContact CE1-CE 3.51Å; Y223-M241 HydrophobicContact CE2-CB 3.95Å; Y223-M241 HydrophobicContact CE2-CE 3.72Å; Y223-M241 HydrophobicContact CE2-CG 3.54Å; Y223-M241 HydrophobicContact CE2-SD 4.24Å; Y223-M241 HydrophobicContact CG-CE 3.77Å; Y223-M241 PolarHBondContact OH-N 3.04Å; Y223-M241 VanDerWaalsContact OH-N 3.07Å |
| 224 | G | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -168.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I238 | G224-I238 PolarHBondContact O-N 3.12Å |
| 225 | Y | 98.7 | Very high | 97.5 | Very high | 132 Ų | 132 | 56.3 Ų | 56.3 | 52% | 0.518 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.8 | 179.9 | -61.9 | -94.5 | 0 | 0 | 0 | 109.9 | V222 V236 P237 | V222-Y225 HydrophobicContact CG1-CE2 4.32Å; Y225-V236 WeakPolarHBondContact CA-O 3.45Å; Y225-P237 HydrophobicContact CD1-CB 4.03Å; Y225-P237 HydrophobicContact CE1-CB 3.81Å; Y225-P237 HydrophobicContact CE1-CG 4.46Å |
| 226 | T | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | trans | -55.2 | 142.5 | 169.9 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | I76 L172 F231 N234 V236 I238 | I76-T226 HydrophobicContact CD1-CG2 3.63Å; L172-T226 HydrophobicContact CB-CG2 4.47Å; L172-T226 HydrophobicContact CD2-CG2 4.28Å; L172-T226 CarbonylContact O-C 3.55Å; L172-T226 WeakPolarHBondContact O-CA 3.39Å; T226-F231 HydrophobicContact CG2-CB 4.19Å; T226-F231 HydrophobicContact CG2-CD2 4.21Å; T226-F231 HydrophobicContact CG2-CG 4.32Å; T226-F231 WeakPolarHBondContact OG1-CB 3.49Å; T226-N234 PolarHBondContact OG1-O 3.08Å; T226-V236 HydrophobicContact CG2-CB 4.38Å; T226-V236 PolarHBondContact N-O 2.82Å; T226-V236 PolarHBondContact OG1-N 3.49Å; T226-I238 HydrophobicContact CG2-CD1 4.31Å; T226-I238 HydrophobicContact CG2-CG1 4.14Å | ||
| 227 | A | 97.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 12% | 0.116 | 25% | 0.25 | C | S | . | . | trans | -61.4 | 138.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | L172 Y229 H230 F231 | L172-A227 PolarHBondContact O-N 3.18Å; A227-Y229 VanDerWaalsContact C-N 3.28Å; A227-Y229 HydrophobicContact CB-CD1 4.05Å; A227-Y229 HydrophobicContact CB-CE1 3.6Å; A227-Y229 HydrophobicContact CB-CE2 4.14Å; A227-Y229 HydrophobicContact CB-CG 4.48Å; A227-Y229 PolarHBondContact O-N 3.15Å; A227-H230 HydrophobicContact CB-CB 4.36Å; A227-H230 PolarHBondContact O-N 2.91Å; A227-F231 PolarHBondContact O-N 3.38Å | ||
| 228 | D | 94.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -59.2 | -40.1 | -175.2 | 53.8 | 6.7 | 0 | 0 | 0 | 112.1 | H230 F231 Y232 G233 N234 K235 | D228-H230 VanDerWaalsContact C-N 3.25Å; D228-H230 PolarHBondContact O-N 2.52Å; D228-F231 CarbonylContact O-C 3.39Å; D228-F231 PolarHBondContact O-N 2.9Å; D228-Y232 PolarHBondContact O-N 3.44Å; D228-G233 WeakPolarHBondContact O-CA 3.28Å; D228-G233 PolarHBondContact O-N 2.92Å; D228-N234 WeakPolarHBondContact CA-O 3.27Å; D228-K235 HydrophobicContact CB-CG 4.38Å |
| 229 | Y | 94.7 | Very high | 97.5 | Very high | 152 Ų | 152 | 46.6 Ų | 46.6 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -70.2 | -16.1 | 176.7 | 60.5 | -96.5 | 0 | 0 | 0 | 114.2 | G174 A227 | G174-Y229 WeakPolarHBondContact CA-OH 3.46Å; A227-Y229 VanDerWaalsContact C-N 3.28Å; A227-Y229 HydrophobicContact CB-CD1 4.05Å; A227-Y229 HydrophobicContact CB-CE1 3.6Å; A227-Y229 HydrophobicContact CB-CE2 4.14Å; A227-Y229 HydrophobicContact CB-CG 4.48Å; A227-Y229 PolarHBondContact O-N 3.15Å |
| 230 | H | 92.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -91.7 | -18.4 | 172.8 | -77.9 | -42.3 | 0 | 0 | 0 | 113.3 | W52 K171 A227 D228 | W52-H230 AromaticContact CZ2-ND1 3.94Å; K171-H230 PolarHBondContact O-CD2 3.01Å; K171-H230 PolarHBondContact O-NE2 2.85Å; A227-H230 HydrophobicContact CB-CB 4.36Å; A227-H230 PolarHBondContact O-N 2.91Å; D228-H230 VanDerWaalsContact C-N 3.25Å; D228-H230 PolarHBondContact O-N 2.52Å |
| 231 | F | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 50 | 179.3 | -146.9 | -93.4 | 0 | 0 | 0 | 112.2 | M6 I59 P70 I73 I76 T226 A227 D228 G233 N234 V236 | M6-F231 HydrophobicContact CE-CZ 4.09Å; M6-F231 HydrophobicContact SD-CE2 4.06Å; M6-F231 HydrophobicContact SD-CZ 4.08Å; I59-F231 HydrophobicContact CG2-CD2 4.39Å; I59-F231 HydrophobicContact CG2-CE2 3.79Å; P70-F231 HydrophobicContact CB-CD1 4.04Å; P70-F231 HydrophobicContact CB-CE1 3.93Å; I73-F231 HydrophobicContact CB-CE1 4.28Å; I73-F231 HydrophobicContact CB-CZ 4.4Å; I73-F231 HydrophobicContact CG1-CE1 4.18Å; I73-F231 HydrophobicContact CG1-CZ 4.14Å; I73-F231 HydrophobicContact CG2-CZ 4.47Å; I76-F231 HydrophobicContact CD1-CD2 4.11Å; I76-F231 HydrophobicContact CD1-CE2 3.71Å; I76-F231 HydrophobicContact CD1-CZ 4.11Å; T226-F231 HydrophobicContact CG2-CB 4.19Å; T226-F231 HydrophobicContact CG2-CD2 4.21Å; T226-F231 HydrophobicContact CG2-CG 4.32Å; T226-F231 WeakPolarHBondContact OG1-CB 3.49Å; A227-F231 PolarHBondContact O-N 3.38Å; D228-F231 CarbonylContact O-C 3.39Å; D228-F231 PolarHBondContact O-N 2.9Å; F231-G233 VanDerWaalsContact C-N 3.34Å; F231-G233 PolarHBondContact O-N 2.86Å; F231-N234 HydrophobicContact CD1-CB 4.42Å; F231-N234 WeakPolarHBondContact O-CB 3.24Å; F231-N234 PolarHBondContact O-N 2.88Å; F231-V236 HydrophobicContact CD1-CB 4.17Å; F231-V236 HydrophobicContact CD1-CG2 3.37Å; F231-V236 HydrophobicContact CE1-CB 4.26Å; F231-V236 HydrophobicContact CE1-CG2 3.48Å; F231-V236 VanDerWaalsContact CE1-CG2 3.48Å; F231-V236 HydrophobicContact CG-CG2 4.22Å; F231-V236 HydrophobicContact CZ-CG2 4.39Å |
| 232 | Y | 96.7 | Very high | 97.5 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 45% | 0.451 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.5 | 166.8 | -44.9 | -77.8 | 0 | 0 | 0 | 114.8 | I59 A60 L63 P70 D228 N234 | I59-Y232 HydrophobicContact CG2-CE2 4.06Å; A60-Y232 VanDerWaalsContact CA-OH 3.23Å; A60-Y232 WeakPolarHBondContact CA-OH 3.43Å; A60-Y232 VanDerWaalsContact CB-OH 3.24Å; A60-Y232 WeakPolarHBondContact CB-OH 3.46Å; A60-Y232 PolarHBondContact N-OH 2.84Å; L63-Y232 HydrophobicContact CD1-CD2 3.9Å; L63-Y232 HydrophobicContact CD1-CE2 3.45Å; L63-Y232 VanDerWaalsContact CD1-CE2 3.45Å; P70-Y232 HydrophobicContact CB-CD2 4.02Å; P70-Y232 HydrophobicContact CB-CG 4.5Å; P70-Y232 HydrophobicContact CG-CD2 3.66Å; P70-Y232 HydrophobicContact CG-CG 3.86Å; D228-Y232 PolarHBondContact O-N 3.44Å; Y232-N234 PolarHBondContact O-ND2 3.44Å; Y232-N234 VanDerWaalsContact O-ND2 3.12Å |
| 233 | G | 96.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 40 Ų | 40 | 62% | 0.619 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 4.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D228 F231 | D228-G233 WeakPolarHBondContact O-CA 3.28Å; D228-G233 PolarHBondContact O-N 2.92Å; F231-G233 VanDerWaalsContact C-N 3.34Å; F231-G233 PolarHBondContact O-N 2.86Å |
| 234 | N | 96.9 | Very high | 97.4 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | trans | -115.8 | 148.3 | -176.3 | -63.6 | -85.1 | 0 | 0 | 0 | 111.8 | T226 D228 F231 Y232 V236 | T226-N234 PolarHBondContact OG1-O 3.08Å; D228-N234 WeakPolarHBondContact CA-O 3.27Å; F231-N234 HydrophobicContact CD1-CB 4.42Å; F231-N234 WeakPolarHBondContact O-CB 3.24Å; F231-N234 PolarHBondContact O-N 2.88Å; Y232-N234 PolarHBondContact O-ND2 3.44Å; Y232-N234 VanDerWaalsContact O-ND2 3.12Å; N234-V236 HydrophobicContact CB-CG2 4.26Å | ||
| 235 | K | 97.3 | Very high | 97.3 | Very high | 147 Ų | 147 | 40.2 Ų | 40.2 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | trans | -105.1 | 97.1 | 172.2 | -67.5 | -170.8 | 176 | -172 | 0 | 108.7 | D228 | D228-K235 HydrophobicContact CB-CG 4.38Š| ||
| 236 | V | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | trans | -98.3 | 134 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | I73 I76 Y225 T226 F231 N234 I238 | I73-V236 HydrophobicContact CB-CG1 4.24Å; I73-V236 HydrophobicContact CG2-CG1 3.81Å; I76-V236 HydrophobicContact CD1-CB 4.08Å; I76-V236 HydrophobicContact CD1-CG1 3.78Å; I76-V236 HydrophobicContact CG1-CG1 3.75Å; Y225-V236 WeakPolarHBondContact CA-O 3.45Å; T226-V236 HydrophobicContact CG2-CB 4.38Å; T226-V236 PolarHBondContact N-O 2.82Å; T226-V236 PolarHBondContact OG1-N 3.49Å; F231-V236 HydrophobicContact CD1-CB 4.17Å; F231-V236 HydrophobicContact CD1-CG2 3.37Å; F231-V236 HydrophobicContact CE1-CB 4.26Å; F231-V236 HydrophobicContact CE1-CG2 3.48Å; F231-V236 VanDerWaalsContact CE1-CG2 3.48Å; F231-V236 HydrophobicContact CG-CG2 4.22Å; F231-V236 HydrophobicContact CZ-CG2 4.39Å; N234-V236 HydrophobicContact CB-CG2 4.26Å; V236-I238 PolarHBondContact O-N 3.35Å | ||
| 237 | P | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.1 | 179.7 | 27.2 | -33.1 | 0 | 0 | 0 | 110.7 | E74 G75 I76 V222 Y225 V450 | E74-P237 WeakPolarHBondContact O-CD 3.24Å; E74-P237 WeakPolarHBondContact O-CG 3.38Å; G75-P237 WeakPolarHBondContact CA-O 3.39Å; I76-P237 PolarHBondContact N-O 2.92Å; V222-P237 HydrophobicContact CG1-CB 4.05Å; V222-P237 HydrophobicContact CG2-CB 4.46Å; Y225-P237 HydrophobicContact CD1-CB 4.03Å; Y225-P237 HydrophobicContact CE1-CB 3.81Å; Y225-P237 HydrophobicContact CE1-CG 4.46Å; P237-V450 HydrophobicContact CB-CG1 4.26Å; P237-V450 HydrophobicContact CG-CG1 3.88Å |
| 238 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.7 | 168.6 | -50.2 | 173.2 | 0 | 0 | 0 | 105.7 | I78 V169 L172 T173 Y223 G224 T226 V236 | I78-I238 HydrophobicContact CD1-CG2 3.63Å; I78-I238 HydrophobicContact CG1-CG2 4.22Å; V169-I238 HydrophobicContact CG1-CD1 4.41Å; V169-I238 HydrophobicContact CG2-CG2 4.26Å; L172-I238 HydrophobicContact CB-CD1 3.74Å; L172-I238 HydrophobicContact CD1-CD1 4.18Å; T173-I238 HydrophobicContact CG2-CD1 3.76Å; Y223-I238 HydrophobicContact CD2-CB 4.43Å; Y223-I238 HydrophobicContact CD2-CG2 4.04Å; Y223-I238 WeakPolarHBondContact CD2-O 3.22Å; Y223-I238 PolarHBondContact N-O 3Å; G224-I238 PolarHBondContact O-N 3.12Å; T226-I238 HydrophobicContact CG2-CD1 4.31Å; T226-I238 HydrophobicContact CG2-CG1 4.14Å; V236-I238 PolarHBondContact O-N 3.35Å |
| 239 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | -4.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I76 E221 V222 A446 A449 V450 | I76-A239 PolarHBondContact O-N 2.87Å; E221-A239 PolarHBondContact N-O 3.03Å; E221-A239 CarbonylContact O-C 3.4Å; E221-A239 WeakPolarHBondContact O-CA 3.4Å; V222-A239 HydrophobicContact CG2-CB 4.26Å; A239-A446 HydrophobicContact CB-CB 4.23Å; A239-A449 HydrophobicContact CB-CB 3.83Å; A239-A449 WeakPolarHBondContact O-CB 3.3Å; A239-V450 HydrophobicContact CB-CG1 3.57Å |
| 240 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I76 G77 I78 N219 | I76-G240 PolarHBondContact O-N 3.45Å; G77-G240 CarbonylContact C-O 3.56Å; G77-G240 WeakPolarHBondContact CA-O 3.29Å; I78-G240 PolarHBondContact N-O 2.86Å; N219-G240 WeakPolarHBondContact O-CA 3.39Å |
| 241 | M | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.4 | 174.1 | -79.2 | -167.1 | -57.2 | 0 | 0 | 109.7 | I78 D165 V169 V179 D181 N219 Y223 | I78-M241 HydrophobicContact CB-CG 4.31Å; I78-M241 WeakPolarHBondContact O-CA 3.46Å; D165-M241 HydrophobicContact CB-SD 4.14Å; V169-M241 HydrophobicContact CG2-SD 3.56Å; V169-M241 VanDerWaalsContact CG2-SD 3.56Å; V179-M241 HydrophobicContact CG1-CE 3.82Å; V179-M241 HydrophobicContact CG2-CE 4.2Å; D181-M241 HydrophobicContact CB-CB 3.78Å; D181-M241 HydrophobicContact CB-CE 4.33Å; N219-M241 WeakPolarHBondContact CA-O 3.3Å; N219-M241 VanDerWaalsContact CB-O 3.3Å; N219-M241 WeakPolarHBondContact CB-O 3.14Å; N219-M241 PolarHBondContact ND2-O 3.46Å; N219-M241 PolarHBondContact O-N 2.95Å; Y223-M241 HydrophobicContact CD1-CE 3.63Å; Y223-M241 HydrophobicContact CD2-CE 3.8Å; Y223-M241 HydrophobicContact CD2-CG 4.12Å; Y223-M241 HydrophobicContact CD2-SD 4.34Å; Y223-M241 HydrophobicContact CE1-CE 3.51Å; Y223-M241 HydrophobicContact CE2-CB 3.95Å; Y223-M241 HydrophobicContact CE2-CE 3.72Å; Y223-M241 HydrophobicContact CE2-CG 3.54Å; Y223-M241 HydrophobicContact CE2-SD 4.24Å; Y223-M241 HydrophobicContact CG-CE 3.77Å; Y223-M241 PolarHBondContact OH-N 3.04Å; Y223-M241 VanDerWaalsContact OH-N 3.07Å |
| 242 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 149.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I78 T79 T183 A247 V442 L445 | I78-A242 PolarHBondContact O-N 3.37Å; T79-A242 VanDerWaalsContact CA-O 3.27Å; T79-A242 WeakPolarHBondContact CA-O 3.39Å; T79-A242 PolarHBondContact OG1-O 2.67Å; T183-A242 WeakPolarHBondContact OG1-CA 3.35Å; A242-A247 HydrophobicContact CB-CB 4.02Å; A242-V442 HydrophobicContact CB-CG1 4.07Å; A242-L445 HydrophobicContact CB-CD1 3.81Å |
| 243 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 144.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R82 T183 N184 Q245 Q246 A247 | R82-G243 VanDerWaalsContact CG-CA 3.47Å; T183-G243 PolarHBondContact OG1-N 3.19Å; N184-G243 PolarHBondContact ND2-N 2.98Å; N184-G243 VanDerWaalsContact ND2-N 3.2Å; G243-Q245 VanDerWaalsContact C-N 3.31Å; G243-Q245 PolarHBondContact O-N 2.92Å; G243-Q245 VanDerWaalsContact O-N 3.12Å; G243-Q246 CarbonylContact O-C 3.53Å; G243-Q246 WeakPolarHBondContact O-CA 3.48Å; G243-Q246 WeakPolarHBondContact O-CB 3.29Å; G243-Q246 PolarHBondContact O-N 3.49Å; G243-A247 PolarHBondContact O-N 3.5Å |
| 244 | D | 96.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 13.6 Ų | 13.6 | 10% | 0.102 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -48.3 | -44.4 | -172.3 | 59.5 | -1.2 | 0 | 0 | 0 | 115.6 | T79 N80 R82 Q246 A247 A248 T438 | T79-D244 WeakPolarHBondContact OG1-CA 3.48Å; T79-D244 PolarHBondContact OG1-N 2.99Å; N80-D244 VanDerWaalsContact O-CB 3.25Å; N80-D244 WeakPolarHBondContact O-CB 3.3Å; N80-D244 VanDerWaalsContact O-CG 3.26Å; N80-D244 PolarHBondContact O-N 3.17Å; R82-D244 IonicContact NE-OD1 3.74Å; R82-D244 PolarHBondContact NE-OD1 2.85Å; D244-Q246 VanDerWaalsContact C-N 3.34Å; D244-Q246 PolarHBondContact O-N 2.77Å; D244-A247 WeakPolarHBondContact O-CB 3.5Å; D244-A247 PolarHBondContact O-N 2.74Å; D244-A248 WeakPolarHBondContact O-CB 3.48Å; D244-A248 PolarHBondContact O-N 3.03Å; D244-T438 HydrophobicContact CB-CG2 3.74Å; D244-T438 WeakPolarHBondContact O-CG2 3.28Å |
| 245 | Q | 96.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.9 | -31.4 | -178 | -52.4 | -46.5 | -42.9 | 0 | 0 | 113 | R82 G243 L249 K261 F269 V271 | R82-Q245 VanDerWaalsContact CZ-CG 3.42Å; R82-Q245 VanDerWaalsContact NH2-CG 3.3Å; G243-Q245 VanDerWaalsContact C-N 3.31Å; G243-Q245 PolarHBondContact O-N 2.92Å; G243-Q245 VanDerWaalsContact O-N 3.12Å; Q245-L249 PolarHBondContact O-N 2.71Å; Q245-L249 VanDerWaalsContact O-N 3.15Å; Q245-K261 WeakPolarHBondContact O-CE 3.41Å; Q245-K261 PolarHBondContact O-NZ 2.7Å; Q245-K261 VanDerWaalsContact O-NZ 3.13Å; Q245-K261 VanDerWaalsContact OE1-NZ 3.09Å; Q245-F269 HydrophobicContact CB-CB 4.27Å; Q245-F269 HydrophobicContact CG-CB 3.63Å; Q245-F269 HydrophobicContact CG-CD1 3.99Å; Q245-F269 HydrophobicContact CG-CD2 3.9Å; Q245-F269 HydrophobicContact CG-CG 3.58Å; Q245-V271 HydrophobicContact CB-CG2 4.1Å |
| 246 | Q | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -75.9 | -37.7 | 173.1 | -79.2 | 89.3 | -26.4 | 0 | 0 | 111.5 | R82 T183 G243 D244 A248 L249 V250 T288 I289 G290 | R82-Q246 VanDerWaalsContact CD-OE1 3.25Å; T183-Q246 HydrophobicContact CG2-CB 3.82Å; T183-Q246 HydrophobicContact CG2-CG 3.69Å; G243-Q246 CarbonylContact O-C 3.53Å; G243-Q246 WeakPolarHBondContact O-CA 3.48Å; G243-Q246 WeakPolarHBondContact O-CB 3.29Å; G243-Q246 PolarHBondContact O-N 3.49Å; D244-Q246 VanDerWaalsContact C-N 3.34Å; D244-Q246 PolarHBondContact O-N 2.77Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 2.95Å; Q246-L249 VanDerWaalsContact O-CB 3.31Å; Q246-L249 WeakPolarHBondContact O-CB 3.02Å; Q246-L249 PolarHBondContact O-N 3.33Å; Q246-L249 VanDerWaalsContact O-N 3.12Å; Q246-V250 PolarHBondContact O-N 2.9Å; Q246-T288 PolarHBondContact NE2-OG1 3.07Å; Q246-I289 WeakPolarHBondContact CG-O 3.47Å; Q246-I289 PolarHBondContact NE2-O 3.05Å; Q246-G290 VanDerWaalsContact CB-O 3.26Å; Q246-G290 WeakPolarHBondContact CB-O 3.22Å; Q246-G290 WeakPolarHBondContact CG-O 3.37Å |
| 247 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T79 A242 G243 D244 L249 V250 G251 T438 G441 V442 | T79-A247 WeakPolarHBondContact OG1-CB 3.39Å; A242-A247 HydrophobicContact CB-CB 4.02Å; G243-A247 PolarHBondContact O-N 3.5Å; D244-A247 WeakPolarHBondContact O-CB 3.5Å; D244-A247 PolarHBondContact O-N 2.74Å; A247-L249 VanDerWaalsContact C-N 3.3Å; A247-L249 PolarHBondContact O-N 2.85Å; A247-V250 WeakPolarHBondContact O-CB 3.16Å; A247-V250 PolarHBondContact O-N 3.21Å; A247-V250 VanDerWaalsContact O-N 3.13Å; A247-G251 PolarHBondContact O-N 3.4Å; A247-T438 HydrophobicContact CB-CG2 4.16Å; A247-T438 WeakPolarHBondContact CB-O 3.26Å; A247-G441 WeakPolarHBondContact O-CA 3.44Å; A247-V442 HydrophobicContact CB-CG1 3.84Å |
| 248 | A | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.1 | -34.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D244 Q246 G251 Q252 K261 | D244-A248 WeakPolarHBondContact O-CB 3.48Å; D244-A248 PolarHBondContact O-N 3.03Å; Q246-A248 VanDerWaalsContact C-N 3.31Å; Q246-A248 PolarHBondContact O-N 2.95Å; A248-G251 PolarHBondContact O-N 3.07Å; A248-Q252 VanDerWaalsContact O-CB 3.32Å; A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 VanDerWaalsContact O-CG 3.23Å; A248-Q252 WeakPolarHBondContact O-CG 3.49Å; A248-Q252 PolarHBondContact O-N 3.45Å; A248-K261 HydrophobicContact CB-CD 4.44Å |
| 249 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.6 | -173.8 | 74.1 | 0 | 0 | 0 | 111.3 | Q245 Q246 A247 Q252 A254 K261 V271 N273 Y291 | Q245-L249 PolarHBondContact O-N 2.71Å; Q245-L249 VanDerWaalsContact O-N 3.15Å; Q246-L249 VanDerWaalsContact O-CB 3.31Å; Q246-L249 WeakPolarHBondContact O-CB 3.02Å; Q246-L249 PolarHBondContact O-N 3.33Å; Q246-L249 VanDerWaalsContact O-N 3.12Å; A247-L249 VanDerWaalsContact C-N 3.3Å; A247-L249 PolarHBondContact O-N 2.85Å; L249-Q252 PolarHBondContact O-N 2.75Å; L249-A254 HydrophobicContact CD1-CB 3.49Å; L249-A254 VanDerWaalsContact CD1-CB 3.49Å; L249-A254 HydrophobicContact CG-CB 3.95Å; L249-A254 WeakPolarHBondContact O-CB 3.32Å; L249-A254 PolarHBondContact O-N 2.56Å; L249-A254 VanDerWaalsContact O-N 3.09Å; L249-K261 HydrophobicContact CB-CG 4.49Å; L249-K261 HydrophobicContact CD1-CG 3.9Å; L249-V271 HydrophobicContact CD1-CB 4.31Å; L249-V271 HydrophobicContact CD1-CG1 4.15Å; L249-V271 HydrophobicContact CD2-CG1 3.95Å; L249-V271 HydrophobicContact CG-CG1 4.45Å; L249-N273 HydrophobicContact CD2-CB 4.44Å; L249-Y291 HydrophobicContact CD2-CE1 4.26Å |
| 250 | V | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 175 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | Q246 A247 Q252 L253 F255 Y291 L445 | Q246-V250 PolarHBondContact O-N 2.9Å; A247-V250 WeakPolarHBondContact O-CB 3.16Å; A247-V250 PolarHBondContact O-N 3.21Å; A247-V250 VanDerWaalsContact O-N 3.13Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.97Å; V250-L253 WeakPolarHBondContact O-CA 3.3Å; V250-L253 PolarHBondContact O-N 3.08Å; V250-F255 HydrophobicContact CG1-CE1 4.09Å; V250-F255 HydrophobicContact CG1-CZ 3.84Å; V250-Y291 HydrophobicContact CG2-CD1 3.63Å; V250-Y291 HydrophobicContact CG2-CE1 4.17Å; V250-Y291 HydrophobicContact CG2-CG 4.17Å; V250-L445 HydrophobicContact CG1-CD2 4.3Å; V250-L445 HydrophobicContact CG1-CG 4.2Å; V250-L445 HydrophobicContact CG2-CD2 4.48Å |
| 251 | G | 96.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 18 Ų | 18 | 7% | 0.072 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.5 | -27.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | A247 A248 L253 T437 | A247-G251 PolarHBondContact O-N 3.4Å; A248-G251 PolarHBondContact O-N 3.07Å; G251-L253 PolarHBondContact O-N 2.96Å; G251-T437 WeakPolarHBondContact CA-O 3.46Å |
| 252 | Q | 95.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 18 Ų | 18 | 7% | 0.065 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 3 | 168.9 | -75.3 | -79.3 | 12.1 | 0 | 0 | 113.3 | A248 L249 V250 A254 K261 R406 V407 D408 T437 | A248-Q252 VanDerWaalsContact O-CB 3.32Å; A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 VanDerWaalsContact O-CG 3.23Å; A248-Q252 WeakPolarHBondContact O-CG 3.49Å; A248-Q252 PolarHBondContact O-N 3.45Å; L249-Q252 PolarHBondContact O-N 2.75Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.97Å; Q252-A254 HydrophobicContact CB-CB 4.49Å; Q252-A254 PolarHBondContact O-N 2.94Å; Q252-K261 HydrophobicContact CB-CB 4.34Å; Q252-K261 HydrophobicContact CG-CB 3.96Å; Q252-K261 HydrophobicContact CG-CG 4.35Å; Q252-R406 PolarHBondContact O-NH1 3.32Å; Q252-V407 PolarHBondContact NE2-O 2.8Å; Q252-D408 WeakPolarHBondContact CG-OD2 3.47Å; Q252-D408 PolarHBondContact NE2-OD2 2.72Å; Q252-T437 HydrophobicContact CG-CG2 4.18Å |
| 253 | L | 95.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 18.5 Ų | 18.5 | 8% | 0.084 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 32.4 | -176.4 | -53.9 | 172.4 | 0 | 0 | 0 | 112.3 | V250 G251 F255 Y444 I459 A463 | V250-L253 WeakPolarHBondContact O-CA 3.3Å; V250-L253 PolarHBondContact O-N 3.08Å; G251-L253 PolarHBondContact O-N 2.96Å; L253-F255 HydrophobicContact CB-CD2 4.29Å; L253-F255 HydrophobicContact CB-CE2 4.16Å; L253-F255 HydrophobicContact CD2-CE2 3.77Å; L253-F255 PolarHBondContact O-N 2.9Å; L253-Y444 HydrophobicContact CD2-CD2 4.11Å; L253-Y444 HydrophobicContact CD2-CE2 3.66Å; L253-I459 HydrophobicContact CD2-CD1 4.15Å; L253-I459 HydrophobicContact CD2-CG1 4.2Å; L253-A463 HydrophobicContact CD1-CB 3.64Å |
| 254 | A | 95.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | trans | -82.3 | 60.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L249 Q252 M259 N273 | L249-A254 HydrophobicContact CD1-CB 3.49Å; L249-A254 VanDerWaalsContact CD1-CB 3.49Å; L249-A254 HydrophobicContact CG-CB 3.95Å; L249-A254 WeakPolarHBondContact O-CB 3.32Å; L249-A254 PolarHBondContact O-N 2.56Å; L249-A254 VanDerWaalsContact O-N 3.09Å; Q252-A254 HydrophobicContact CB-CB 4.49Å; Q252-A254 PolarHBondContact O-N 2.94Å; A254-M259 HydrophobicContact CB-CB 3.77Å; A254-M259 HydrophobicContact CB-CE 4.28Å; A254-M259 HydrophobicContact CB-SD 4.45Å; A254-N273 PolarHBondContact O-ND2 2.95Å | ||
| 255 | F | 95.8 | Very high | 96 | Very high | 22 Ų | 22 | 18.9 Ų | 18.9 | 10% | 0.096 | 11% | 0.105 | C | C | . | . | trans | -84 | -21.9 | -176.6 | -64.8 | -70.7 | 0 | 0 | 0 | 113.9 | V250 L253 N273 Y291 I293 I456 I459 | V250-F255 HydrophobicContact CG1-CE1 4.09Å; V250-F255 HydrophobicContact CG1-CZ 3.84Å; L253-F255 HydrophobicContact CB-CD2 4.29Å; L253-F255 HydrophobicContact CB-CE2 4.16Å; L253-F255 HydrophobicContact CD2-CE2 3.77Å; L253-F255 PolarHBondContact O-N 2.9Å; F255-N273 PolarHBondContact O-ND2 3.2Å; F255-Y291 WeakPolarHBondContact CA-OH 3.48Å; F255-Y291 HydrophobicContact CD1-CE1 4.44Å; F255-Y291 HydrophobicContact CD1-CE2 4.33Å; F255-Y291 AromaticContact CD1-CZ 3.85Å; F255-Y291 PolarHBondContact O-OH 2.73Å; F255-I293 HydrophobicContact CE1-CD1 4.44Å; F255-I456 HydrophobicContact CB-CG2 4.43Å; F255-I456 HydrophobicContact CD1-CD1 3.96Å; F255-I456 HydrophobicContact CD1-CG2 4.25Å; F255-I456 HydrophobicContact CD2-CG2 3.54Å; F255-I456 HydrophobicContact CE1-CD1 4.05Å; F255-I456 HydrophobicContact CE1-CG1 4.34Å; F255-I456 HydrophobicContact CE1-CG2 4.42Å; F255-I456 HydrophobicContact CE2-CG2 3.72Å; F255-I456 HydrophobicContact CG-CD1 4.48Å; F255-I456 HydrophobicContact CG-CG2 3.81Å; F255-I456 HydrophobicContact CZ-CG1 4.44Å; F255-I456 HydrophobicContact CZ-CG2 4.17Å; F255-I459 HydrophobicContact CE2-CD1 3.69Å; F255-I459 HydrophobicContact CE2-CG1 4.44Å; F255-I459 HydrophobicContact CZ-CD1 3.58Å | ||
| 256 | D | 94.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 20.1 Ų | 20.1 | 47% | 0.471 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -92.9 | 143.8 | -176.2 | -56.5 | -59.7 | 0 | 0 | 0 | 111.3 | G258 M259 K460 | D256-G258 PolarHBondContact O-N 3.35Å; D256-M259 HydrophobicContact CB-CG 4.18Å; D256-M259 HydrophobicContact CB-SD 3.75Å; D256-M259 WeakPolarHBondContact O-CB 3.2Å; D256-M259 VanDerWaalsContact O-CG 3.3Å; D256-M259 WeakPolarHBondContact O-CG 3.4Å; D256-M259 PolarHBondContact O-N 3.48Å; D256-K460 IonicContact OD1-NZ 3.11Å; D256-K460 IonicContact OD2-NZ 2.72Å; D256-K460 PolarHBondContact OD2-NZ 2.92Å; D256-K460 VanDerWaalsContact OD2-NZ 3.11Å |
| 257 | K | 95.2 | Very high | 95.1 | Very high | 135 Ų | 135 | 20.1 Ų | 20.1 | 59% | 0.587 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.7 | 178.8 | 177.4 | 174.1 | -177.9 | 165 | 0 | 110.9 | M259 T274 | K257-M259 VanDerWaalsContact C-N 3.33Å; K257-T274 WeakPolarHBondContact CD-O 3.11Å; K257-T274 WeakPolarHBondContact CE-O 3.41Å |
| 258 | G | 94.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 20% | 0.196 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -6.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D256 V260 N273 | D256-G258 PolarHBondContact O-N 3.35Å; G258-V260 WeakPolarHBondContact O-CG2 3.3Å; G258-V260 PolarHBondContact O-N 3.17Å; G258-N273 PolarHBondContact N-O 2.83Å |
| 259 | M | 96 | Very high | 94.9 | Very high | 43 Ų | 43 | 20.8 Ų | 20.8 | 21% | 0.212 | 12% | 0.117 | C | C | . | . | trans | -69.3 | 131 | 171 | -66.6 | -176.8 | 75.6 | 0 | 0 | 110.2 | A254 D256 K257 M272 N273 | A254-M259 HydrophobicContact CB-CB 3.77Å; A254-M259 HydrophobicContact CB-CE 4.28Å; A254-M259 HydrophobicContact CB-SD 4.45Å; D256-M259 HydrophobicContact CB-CG 4.18Å; D256-M259 HydrophobicContact CB-SD 3.75Å; D256-M259 WeakPolarHBondContact O-CB 3.2Å; D256-M259 VanDerWaalsContact O-CG 3.3Å; D256-M259 WeakPolarHBondContact O-CG 3.4Å; D256-M259 PolarHBondContact O-N 3.48Å; K257-M259 VanDerWaalsContact C-N 3.33Å; M259-M272 WeakPolarHBondContact O-CA 3.3Å; M259-N273 PolarHBondContact O-N 3.2Å | ||
| 260 | V | 97 | Very high | 94.9 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.03 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.1 | -176.1 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | G258 I270 V271 M272 M394 I402 L405 R406 | G258-V260 WeakPolarHBondContact O-CG2 3.3Å; G258-V260 PolarHBondContact O-N 3.17Å; V260-I270 HydrophobicContact CG1-CG2 3.58Å; V260-V271 WeakPolarHBondContact CA-O 3.13Å; V260-M272 HydrophobicContact CG1-CB 4.44Å; V260-M272 HydrophobicContact CG2-CB 3.83Å; V260-M272 HydrophobicContact CG2-CE 3.44Å; V260-M272 VanDerWaalsContact CG2-CE 3.44Å; V260-M272 HydrophobicContact CG2-CG 3.86Å; V260-M394 HydrophobicContact CG1-SD 4.32Å; V260-I402 HydrophobicContact CB-CG2 4.39Å; V260-I402 HydrophobicContact CG2-CD1 3.94Å; V260-I402 HydrophobicContact CG2-CG1 3.81Å; V260-I402 HydrophobicContact CG2-CG2 4.06Å; V260-L405 HydrophobicContact CB-CD1 4.34Å; V260-L405 HydrophobicContact CG1-CD1 3.81Å; V260-R406 PolarHBondContact O-N 3.47Å; V260-R406 VanDerWaalsContact O-N 3.14Å |
| 261 | K | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 157.2 | 168.6 | 71 | 85.2 | 174.3 | 175.4 | 0 | 111.7 | Q245 A248 L249 Q252 T263 F269 I270 V271 R406 | Q245-K261 WeakPolarHBondContact O-CE 3.41Å; Q245-K261 PolarHBondContact O-NZ 2.7Å; Q245-K261 VanDerWaalsContact O-NZ 3.13Å; Q245-K261 VanDerWaalsContact OE1-NZ 3.09Å; A248-K261 HydrophobicContact CB-CD 4.44Å; L249-K261 HydrophobicContact CB-CG 4.49Å; L249-K261 HydrophobicContact CD1-CG 3.9Å; Q252-K261 HydrophobicContact CB-CB 4.34Å; Q252-K261 HydrophobicContact CG-CB 3.96Å; Q252-K261 HydrophobicContact CG-CG 4.35Å; K261-T263 PolarHBondContact NZ-OG1 2.8Å; K261-F269 PolarHBondContact NZ-O 2.86Å; K261-I270 CarbonylContact O-C 3.22Å; K261-I270 VanDerWaalsContact O-CA 3.27Å; K261-I270 WeakPolarHBondContact O-CA 3.18Å; K261-V271 PolarHBondContact N-O 2.83Å; K261-V271 PolarHBondContact O-N 3.32Å; K261-R406 CarbonylContact C-O 3.59Å; K261-R406 WeakPolarHBondContact CA-O 3.18Å; K261-R406 HydrophobicContact CB-CB 4.34Å |
| 262 | N | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125.4 | 164.8 | -172.9 | 16.7 | 0 | 0 | 0 | 111 | Y264 F269 I270 T387 L405 R406 V407 D408 | N262-Y264 HydrophobicContact CB-CE2 4.26Å; N262-Y264 WeakPolarHBondContact ND2-CE1 3.4Å; N262-Y264 WeakPolarHBondContact ND2-CE2 3.37Å; N262-Y264 PolarHBondContact ND2-OH 3.14Å; N262-F269 WeakPolarHBondContact CA-O 3.43Å; N262-F269 PolarHBondContact OD1-N 3.06Å; N262-F269 PolarHBondContact OD1-O 3.26Å; N262-I270 HydrophobicContact CB-CG1 4.07Å; N262-T387 WeakPolarHBondContact ND2-CG2 3.44Å; N262-T387 PolarHBondContact ND2-OG1 3Å; N262-T387 VanDerWaalsContact ND2-OG1 3.15Å; N262-L405 HydrophobicContact CB-CD1 4.08Å; N262-L405 HydrophobicContact CB-CD2 4.36Å; N262-L405 HydrophobicContact CB-CG 4.46Å; N262-R406 PolarHBondContact N-O 3.16Å; N262-V407 HydrophobicContact CB-CG1 4.38Å; N262-V407 VanDerWaalsContact O-CA 3.27Å; N262-V407 WeakPolarHBondContact O-CA 3.3Å; N262-D408 PolarHBondContact O-N 2.92Å; N262-D408 VanDerWaalsContact O-N 3.1Å |
| 263 | T | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.1 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | K261 G265 A268 F269 D408 | K261-T263 PolarHBondContact NZ-OG1 2.8Å; T263-G265 PolarHBondContact O-N 2.79Å; T263-A268 VanDerWaalsContact O-CA 3.3Å; T263-A268 WeakPolarHBondContact O-CA 3.27Å; T263-F269 PolarHBondContact N-O 2.79Å; T263-F269 PolarHBondContact O-N 3.42Å; T263-D408 WeakPolarHBondContact CA-OD1 3.2Å; T263-D408 WeakPolarHBondContact CB-OD1 3.38Å; T263-D408 WeakPolarHBondContact CG2-OD1 3.27Å; T263-D408 PolarHBondContact OG1-OD1 2.6Å |
| 264 | Y | 94 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 82.1 | 175.4 | -64.7 | -88.3 | 0 | 0 | 0 | 111.4 | N262 A268 T387 V407 D408 G409 G410 A411 L417 L418 Q421 | N262-Y264 HydrophobicContact CB-CE2 4.26Å; N262-Y264 WeakPolarHBondContact ND2-CE1 3.4Å; N262-Y264 WeakPolarHBondContact ND2-CE2 3.37Å; N262-Y264 PolarHBondContact ND2-OH 3.14Å; Y264-A268 HydrophobicContact CD1-CB 4.13Å; Y264-A268 HydrophobicContact CE1-CB 4.42Å; Y264-T387 PolarHBondContact OH-OG1 2.81Å; Y264-V407 HydrophobicContact CD2-CB 4.2Å; Y264-V407 HydrophobicContact CD2-CG1 4.46Å; Y264-V407 HydrophobicContact CE2-CB 3.93Å; Y264-V407 HydrophobicContact CE2-CG1 3.71Å; Y264-D408 PolarHBondContact N-O 2.95Å; Y264-G409 CarbonylContact O-C 3.6Å; Y264-G409 VanDerWaalsContact O-C 3.29Å; Y264-G410 PolarHBondContact O-N 3.48Å; Y264-G410 VanDerWaalsContact O-N 3.11Å; Y264-A411 PolarHBondContact O-N 2.77Å; Y264-L417 HydrophobicContact CD1-CD2 4.4Å; Y264-L418 HydrophobicContact CE2-CD2 4.29Å; Y264-Q421 VanDerWaalsContact OH-CD 3.29Å; Y264-Q421 WeakPolarHBondContact OH-CG 3.49Å; Y264-Q421 PolarHBondContact OH-OE1 3.27Å |
| 265 | G | 89.4 | Confident | 95.3 | Very high | 28 Ų | 28 | 19.8 Ų | 19.8 | 29% | 0.289 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -103.4 | -138.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T263 G267 G309 | T263-G265 PolarHBondContact O-N 2.79Å; G265-G267 VanDerWaalsContact C-N 3.34Å; G265-G267 CarbonylContact C-O 3.56Å; G265-G267 WeakPolarHBondContact CA-O 3.31Å; G265-G267 PolarHBondContact N-O 2.95Å; G265-G309 WeakPolarHBondContact O-CA 3.5Å; G265-G309 PolarHBondContact O-N 3.46Å |
| 266 | T | 85.9 | Confident | 95.4 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 20% | 0.202 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -58.6 | -47.7 | 171.1 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | A308 G309 S310 | T266-A308 PolarHBondContact O-N 3.35Å; T266-G309 PolarHBondContact O-N 3.19Å; T266-S310 PolarHBondContact O-N 3.05Å; T266-S310 PolarHBondContact O-OG 3.36Å |
| 267 | G | 90.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -104.3 | 178.5 | 162 | 0 | 0 | 0 | 0 | 0 | 111.2 | G265 V305 | G265-G267 VanDerWaalsContact C-N 3.34Å; G265-G267 CarbonylContact C-O 3.56Å; G265-G267 WeakPolarHBondContact CA-O 3.31Å; G265-G267 PolarHBondContact N-O 2.95Å; G267-V305 CarbonylContact C-O 3.58Å; G267-V305 WeakPolarHBondContact CA-O 3.41Å |
| 268 | A | 94.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T263 Y264 V305 A308 | T263-A268 VanDerWaalsContact O-CA 3.3Å; T263-A268 WeakPolarHBondContact O-CA 3.27Å; Y264-A268 HydrophobicContact CD1-CB 4.13Å; Y264-A268 HydrophobicContact CE1-CB 4.42Å; A268-V305 HydrophobicContact CB-CB 4.05Å; A268-V305 HydrophobicContact CB-CG1 4.49Å; A268-V305 PolarHBondContact N-O 2.89Å; A268-V305 WeakPolarHBondContact O-CA 3.47Å; A268-V305 VanDerWaalsContact O-CB 3.32Å; A268-V305 WeakPolarHBondContact O-CB 3.25Å; A268-V305 PolarHBondContact O-N 3.27Å; A268-A308 HydrophobicContact CB-CB 3.76Å |
| 269 | F | 95.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 22.2 Ų | 22.2 | 5% | 0.053 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 108.7 | -176.6 | -61.7 | -89.3 | 0 | 0 | 0 | 109.6 | W102 Q245 K261 N262 T263 | W102-F269 HydrophobicContact CH2-CZ 4.24Å; W102-F269 HydrophobicContact CZ3-CZ 4.49Å; Q245-F269 HydrophobicContact CB-CB 4.27Å; Q245-F269 HydrophobicContact CG-CB 3.63Å; Q245-F269 HydrophobicContact CG-CD1 3.99Å; Q245-F269 HydrophobicContact CG-CD2 3.9Å; Q245-F269 HydrophobicContact CG-CG 3.58Å; K261-F269 PolarHBondContact NZ-O 2.86Å; N262-F269 WeakPolarHBondContact CA-O 3.43Å; N262-F269 PolarHBondContact OD1-N 3.06Å; N262-F269 PolarHBondContact OD1-O 3.26Å; T263-F269 PolarHBondContact N-O 2.79Å; T263-F269 PolarHBondContact O-N 3.42Å |
| 270 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.1 | 177.6 | -53.1 | 68.8 | 0 | 0 | 0 | 106.7 | V260 K261 N262 E302 G303 V305 T387 V390 V391 M394 | V260-I270 HydrophobicContact CG1-CG2 3.58Å; K261-I270 CarbonylContact O-C 3.22Å; K261-I270 VanDerWaalsContact O-CA 3.27Å; K261-I270 WeakPolarHBondContact O-CA 3.18Å; N262-I270 HydrophobicContact CB-CG1 4.07Å; I270-E302 VanDerWaalsContact O-CA 3.3Å; I270-E302 WeakPolarHBondContact O-CA 3.29Å; I270-G303 PolarHBondContact N-O 3.46Å; I270-G303 VanDerWaalsContact N-O 3.07Å; I270-G303 PolarHBondContact O-N 3.19Å; I270-V305 HydrophobicContact CD1-CG2 4.2Å; I270-T387 HydrophobicContact CD1-CG2 4.3Å; I270-T387 HydrophobicContact CG1-CG2 4.05Å; I270-V390 HydrophobicContact CB-CG1 3.67Å; I270-V390 HydrophobicContact CD1-CB 3.96Å; I270-V390 HydrophobicContact CD1-CG1 3.84Å; I270-V390 HydrophobicContact CD1-CG2 4.24Å; I270-V390 HydrophobicContact CG1-CB 4.18Å; I270-V390 HydrophobicContact CG1-CG1 3.77Å; I270-V390 HydrophobicContact CG2-CG1 4.24Å; I270-V391 HydrophobicContact CG1-CG2 4.39Å; I270-V391 HydrophobicContact CG2-CG2 4.1Å; I270-M394 HydrophobicContact CB-CE 3.92Å; I270-M394 HydrophobicContact CB-SD 4.34Å; I270-M394 HydrophobicContact CG2-CE 3.69Å; I270-M394 HydrophobicContact CG2-SD 3.5Å; I270-M394 VanDerWaalsContact CG2-SD 3.5Å; I270-M394 WeakPolarHBondContact O-CE 3.33Å |
| 271 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.5 | -179.6 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | Q245 L249 V260 K261 A300 L301 E302 | Q245-V271 HydrophobicContact CB-CG2 4.1Å; L249-V271 HydrophobicContact CD1-CB 4.31Å; L249-V271 HydrophobicContact CD1-CG1 4.15Å; L249-V271 HydrophobicContact CD2-CG1 3.95Å; L249-V271 HydrophobicContact CG-CG1 4.45Å; V260-V271 WeakPolarHBondContact CA-O 3.13Å; K261-V271 PolarHBondContact N-O 2.83Å; K261-V271 PolarHBondContact O-N 3.32Å; V271-A300 HydrophobicContact CG1-CB 3.74Å; V271-L301 WeakPolarHBondContact CA-O 3.48Å; V271-E302 HydrophobicContact CG2-CG 4.23Å |
| 272 | M | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.2 | 175.5 | 172.7 | -175.7 | -73.3 | 0 | 0 | 109.7 | M259 V260 T274 A300 L301 M394 I402 | M259-M272 WeakPolarHBondContact O-CA 3.3Å; V260-M272 HydrophobicContact CG1-CB 4.44Å; V260-M272 HydrophobicContact CG2-CB 3.83Å; V260-M272 HydrophobicContact CG2-CE 3.44Å; V260-M272 VanDerWaalsContact CG2-CE 3.44Å; V260-M272 HydrophobicContact CG2-CG 3.86Å; M272-T274 PolarHBondContact O-N 3.37Å; M272-A300 CarbonylContact O-C 3.53Å; M272-A300 WeakPolarHBondContact O-CA 3.39Å; M272-A300 VanDerWaalsContact O-CB 3.25Å; M272-A300 WeakPolarHBondContact O-CB 3.16Å; M272-L301 HydrophobicContact CB-CB 4.39Å; M272-L301 PolarHBondContact N-O 3.24Å; M272-L301 PolarHBondContact O-N 2.92Å; M272-M394 HydrophobicContact CB-SD 4.02Å; M272-M394 HydrophobicContact CE-CB 4.23Å; M272-I402 HydrophobicContact CE-CD1 3.43Å; M272-I402 VanDerWaalsContact CE-CD1 3.43Å; M272-I402 HydrophobicContact CE-CG1 3.43Å; M272-I402 VanDerWaalsContact CE-CG1 3.43Å |
| 273 | N | 98 | Very high | 95 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.6 | 169.5 | -178.7 | -32.9 | 0 | 0 | 0 | 110.3 | L249 A254 F255 G258 M259 G275 Y291 T298 | L249-N273 HydrophobicContact CD2-CB 4.44Å; A254-N273 PolarHBondContact O-ND2 2.95Å; F255-N273 PolarHBondContact O-ND2 3.2Å; G258-N273 PolarHBondContact N-O 2.83Å; M259-N273 PolarHBondContact O-N 3.2Å; N273-G275 PolarHBondContact OD1-N 2.86Å; N273-Y291 PolarHBondContact ND2-OH 2.9Å; N273-T298 VanDerWaalsContact OD1-CG2 3.26Å; N273-T298 WeakPolarHBondContact OD1-CG2 3.26Å |
| 274 | T | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 0.3 | 179.1 | 64 | 0 | 0 | 0 | 0 | 114 | K257 M272 E277 I279 Y299 L301 | K257-T274 WeakPolarHBondContact CD-O 3.11Å; K257-T274 WeakPolarHBondContact CE-O 3.41Å; M272-T274 PolarHBondContact O-N 3.37Å; T274-E277 PolarHBondContact OG1-O 3.47Å; T274-I279 HydrophobicContact CG2-CB 4.44Å; T274-I279 HydrophobicContact CG2-CD1 3.79Å; T274-I279 HydrophobicContact CG2-CG1 4.05Å; T274-Y299 PolarHBondContact N-O 3.22Å; T274-Y299 VanDerWaalsContact OG1-C 3.27Å; T274-Y299 VanDerWaalsContact OG1-CB 3.29Å; T274-Y299 WeakPolarHBondContact OG1-CB 3.04Å; T274-Y299 PolarHBondContact OG1-O 3.38Å; T274-L301 HydrophobicContact CG2-CB 4.26Å; T274-L301 HydrophobicContact CG2-CD1 4.28Å; T274-L301 HydrophobicContact CG2-CG 3.97Å |
| 275 | G | 97.1 | Very high | 95 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.5 | -156.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N273 E277 Y299 | N273-G275 PolarHBondContact OD1-N 2.86Å; G275-E277 PolarHBondContact O-N 2.84Å; G275-Y299 PolarHBondContact O-N 2.75Å |
| 276 | E | 97.3 | Very high | 95.4 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7.7 | -178.9 | -58.9 | -176.3 | -139.1 | 0 | 0 | 113.3 | K296 V297 Y299 | E276-K296 IonicContact OE1-NZ 2.79Å; E276-K296 PolarHBondContact OE1-NZ 2.77Å; E276-V297 WeakPolarHBondContact CA-O 3.43Å; E276-Y299 WeakPolarHBondContact O-CD2 3.44Å; E276-Y299 WeakPolarHBondContact O-CE2 3.32Å |
| 277 | E | 96 | Very high | 96 | Very high | 138 Ų | 138 | 31.6 Ų | 31.6 | 65% | 0.645 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -106.5 | 121.3 | 178.5 | -65.3 | -66.7 | 158.1 | 0 | 0 | 110.5 | T274 G275 | T274-E277 PolarHBondContact OG1-O 3.47Å; G275-E277 PolarHBondContact O-N 2.84Å |
| 278 | P | 96.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 22% | 0.221 | 16% | 0.163 | C | C | . | . | trans | -71.2 | 143.7 | 175.2 | 28.2 | -31.4 | 0 | 0 | 0 | 110.9 | Y194 T287 Y299 | Y194-P278 HydrophobicContact CD1-CG 3.93Å; Y194-P278 HydrophobicContact CE1-CB 4.08Å; Y194-P278 HydrophobicContact CE1-CG 3.54Å; P278-T287 HydrophobicContact CB-CG2 3.83Å; P278-Y299 HydrophobicContact CB-CD1 3.75Å; P278-Y299 HydrophobicContact CB-CD2 4.08Å; P278-Y299 HydrophobicContact CB-CE1 4.08Å; P278-Y299 HydrophobicContact CB-CE2 4.39Å; P278-Y299 HydrophobicContact CB-CG 3.75Å; P278-Y299 HydrophobicContact CG-CD1 4.47Å; P278-Y299 HydrophobicContact CG-CD2 4.3Å; P278-Y299 HydrophobicContact CG-CE1 4.37Å; P278-Y299 HydrophobicContact CG-CE2 4.21Å; P278-Y299 HydrophobicContact CG-CG 4.43Å | ||
| 279 | I | 96.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 17% | 0.174 | 16% | 0.162 | C | C | . | . | trans | -107.7 | 113.5 | 170 | -57.9 | 179.7 | 0 | 0 | 0 | 107.3 | T274 S281 T287 L301 D397 | T274-I279 HydrophobicContact CG2-CB 4.44Å; T274-I279 HydrophobicContact CG2-CD1 3.79Å; T274-I279 HydrophobicContact CG2-CG1 4.05Å; I279-S281 PolarHBondContact O-N 2.79Å; I279-T287 WeakPolarHBondContact O-CB 3.44Å; I279-T287 VanDerWaalsContact O-CG2 3.22Å; I279-T287 WeakPolarHBondContact O-CG2 3.37Å; I279-T287 PolarHBondContact O-OG1 3.38Å; I279-L301 HydrophobicContact CB-CD1 3.98Å; I279-L301 HydrophobicContact CB-CD2 4.46Å; I279-L301 HydrophobicContact CB-CG 4.19Å; I279-L301 HydrophobicContact CD1-CD1 4.32Å; I279-L301 HydrophobicContact CG2-CD1 3.93Å; I279-L301 WeakPolarHBondContact O-CD2 3.34Å; I279-D397 WeakPolarHBondContact CG2-O 3.36Å | ||
| 280 | L | 95.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 37% | 0.366 | 16% | 0.16 | S | C | . | . | trans | -73.7 | 121.3 | 173.5 | -173.9 | 65.1 | 0 | 0 | 0 | 109.4 | Q124 T287 | Q124-L280 HydrophobicContact CG-CD1 3.89Å; L280-T287 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 281 | S | 94.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | trans | -72.2 | 134 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | Q124 I279 N283 G284 L285 T287 D397 | Q124-S281 PolarHBondContact NE2-O 2.87Å; I279-S281 PolarHBondContact O-N 2.79Å; S281-N283 PolarHBondContact OG-N 2.66Å; S281-G284 PolarHBondContact OG-N 3.4Å; S281-L285 VanDerWaalsContact CB-O 3.28Å; S281-L285 WeakPolarHBondContact CB-O 3.47Å; S281-L285 WeakPolarHBondContact OG-CA 3.05Å; S281-L285 WeakPolarHBondContact OG-CB 3.44Å; S281-L285 PolarHBondContact OG-N 3.02Å; S281-T287 PolarHBondContact N-OG1 2.69Å; S281-D397 VanDerWaalsContact CB-OD2 3.29Å; S281-D397 WeakPolarHBondContact CB-OD2 3.17Å; S281-D397 PolarHBondContact OG-OD2 2.81Å | ||
| 282 | E | 92.1 | Very high | 96.8 | Very high | 179 Ų | 179 | 31.4 Ų | 31.4 | 84% | 0.836 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -102.8 | -3.9 | 170.6 | -62.6 | -174 | 165.2 | 0 | 0 | 112.4 | D397 | E282-D397 PolarHBondContact N-OD1 3.24Š|
| 283 | N | 93.8 | Very high | 96.7 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -125.4 | 20.1 | -169.3 | -64.3 | -82.6 | 0 | 0 | 0 | 113.9 | S281 T393 K396 D397 | S281-N283 PolarHBondContact OG-N 2.66Å; N283-T393 HydrophobicContact CB-CG2 3.54Å; N283-T393 WeakPolarHBondContact O-CG2 3.19Å; N283-K396 WeakPolarHBondContact OD1-CE 3.26Å; N283-K396 PolarHBondContact OD1-NZ 3.23Å; N283-D397 WeakPolarHBondContact CB-OD1 3.38Å; N283-D397 PolarHBondContact ND2-OD1 3.16Å |
| 284 | G | 93.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 89.7 | 26.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S281 W355 | S281-G284 PolarHBondContact OG-N 3.4Å; G284-W355 PolarHBondContact O-NE1 3.42Å |
| 285 | L | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -95.5 | 170.6 | 164.1 | -57.1 | 179.4 | 0 | 0 | 0 | 110.6 | S281 L301 A352 V390 T393 M394 D397 | S281-L285 VanDerWaalsContact CB-O 3.28Å; S281-L285 WeakPolarHBondContact CB-O 3.47Å; S281-L285 WeakPolarHBondContact OG-CA 3.05Å; S281-L285 WeakPolarHBondContact OG-CB 3.44Å; S281-L285 PolarHBondContact OG-N 3.02Å; L285-L301 HydrophobicContact CB-CD2 4.29Å; L285-A352 HydrophobicContact CD2-CB 4.29Å; L285-V390 HydrophobicContact CD2-CG1 4.08Å; L285-T393 HydrophobicContact CD1-CG2 3.99Å; L285-T393 HydrophobicContact CD2-CG2 4.03Å; L285-T393 HydrophobicContact CG-CG2 3.71Å; L285-M394 HydrophobicContact CD1-CB 4.08Å; L285-M394 HydrophobicContact CD1-CG 3.35Å; L285-M394 HydrophobicContact CD2-CG 4.47Å; L285-D397 HydrophobicContact CD1-CB 4.35Å; L285-D397 WeakPolarHBondContact CD1-OD2 3.4Å |
| 286 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.7 | 175 | -53.8 | 177 | 0 | 0 | 0 | 109.6 | L129 L130 Y134 F135 L301 E302 W355 | L129-L286 HydrophobicContact CD2-CB 4.24Å; L129-L286 HydrophobicContact CD2-CD1 4.48Å; L129-L286 HydrophobicContact CD2-CD2 4.35Å; L130-L286 HydrophobicContact CG-CD2 4.27Å; Y134-L286 HydrophobicContact CE1-CD1 4.44Å; F135-L286 HydrophobicContact CE1-CD1 4.03Å; F135-L286 HydrophobicContact CZ-CD1 3.8Å; F135-L286 HydrophobicContact CZ-CD2 3.84Å; F135-L286 HydrophobicContact CZ-CG 4.49Å; L286-L301 CarbonylContact O-C 3.55Å; L286-L301 WeakPolarHBondContact O-CA 3.26Å; L286-E302 HydrophobicContact CB-CB 4.36Å; L286-E302 PolarHBondContact N-O 2.84Å; L286-E302 PolarHBondContact O-N 3.24Å; L286-W355 HydrophobicContact CD1-CH2 3.98Å; L286-W355 HydrophobicContact CD1-CZ2 4.04Å; L286-W355 HydrophobicContact CD2-CH2 3.97Å; L286-W355 HydrophobicContact CD2-CZ2 3.63Å; L286-W355 HydrophobicContact CG-CH2 4.23Å; L286-W355 HydrophobicContact CG-CZ2 3.82Å |
| 287 | T | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.9 | 164.9 | -47 | 0 | 0 | 0 | 0 | 107.5 | G128 I193 P278 I279 L280 S281 | G128-T287 CarbonylContact C-O 3.6Å; G128-T287 VanDerWaalsContact CA-O 3.3Å; G128-T287 WeakPolarHBondContact CA-O 3.29Å; G128-T287 PolarHBondContact O-N 2.65Å; I193-T287 HydrophobicContact CD1-CG2 3.97Å; P278-T287 HydrophobicContact CB-CG2 3.83Å; I279-T287 WeakPolarHBondContact O-CB 3.44Å; I279-T287 VanDerWaalsContact O-CG2 3.22Å; I279-T287 WeakPolarHBondContact O-CG2 3.37Å; I279-T287 PolarHBondContact O-OG1 3.38Å; L280-T287 WeakPolarHBondContact CA-OG1 3.45Å; S281-T287 PolarHBondContact N-OG1 2.69Å |
| 288 | T | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 165.3 | -173.7 | -161.7 | 0 | 0 | 0 | 0 | 110.2 | S186 R187 Q246 Y299 A300 E302 | S186-T288 PolarHBondContact OG-OG1 3.37Å; R187-T288 VanDerWaalsContact CD-OG1 3.26Å; R187-T288 WeakPolarHBondContact CD-OG1 3.49Å; R187-T288 PolarHBondContact NH1-OG1 2.91Å; Q246-T288 PolarHBondContact NE2-OG1 3.07Å; T288-Y299 WeakPolarHBondContact O-CA 3.38Å; T288-A300 HydrophobicContact CG2-CB 3.94Å; T288-A300 PolarHBondContact N-O 2.88Å; T288-A300 PolarHBondContact O-N 3.42Å; T288-E302 HydrophobicContact CG2-CB 4.4Å |
| 289 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.1 | 166.6 | -61.1 | 174.4 | 0 | 0 | 0 | 108.3 | Y182 T183 S186 Y191 I193 L196 Q246 V297 Y299 | Y182-I289 HydrophobicContact CD1-CD1 4.49Å; Y182-I289 HydrophobicContact CG-CD1 4.48Å; T183-I289 HydrophobicContact CG2-CG2 4.35Å; S186-I289 PolarHBondContact OG-N 3.23Å; Y191-I289 HydrophobicContact CE1-CD1 4.14Å; I193-I289 HydrophobicContact CB-CD1 4.16Å; I193-I289 HydrophobicContact CB-CG1 4.07Å; I193-I289 HydrophobicContact CG2-CD1 4.2Å; I193-I289 HydrophobicContact CG2-CG1 4.13Å; L196-I289 HydrophobicContact CD2-CD1 3.72Å; Q246-I289 WeakPolarHBondContact CG-O 3.47Å; Q246-I289 PolarHBondContact NE2-O 3.05Å; I289-V297 HydrophobicContact CD1-CG1 4.31Å; I289-V297 HydrophobicContact CG1-CG1 4.2Å; I289-V297 HydrophobicContact CG2-CG1 3.73Å; I289-Y299 HydrophobicContact CG1-CD1 4.19Å; I289-Y299 HydrophobicContact CG1-CE1 4.02Å |
| 290 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -48.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T183 Q246 T298 | T183-G290 VanDerWaalsContact CG2-C 3.49Å; T183-G290 WeakPolarHBondContact CG2-O 3.39Å; Q246-G290 VanDerWaalsContact CB-O 3.26Å; Q246-G290 WeakPolarHBondContact CB-O 3.22Å; Q246-G290 WeakPolarHBondContact CG-O 3.37Å; G290-T298 VanDerWaalsContact CA-O 3.29Å; G290-T298 WeakPolarHBondContact CA-O 3.49Å; G290-T298 PolarHBondContact N-O 2.68Å |
| 291 | Y | 98.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | 157.2 | 170.6 | 45.9 | -96.5 | 0 | 0 | 0 | 110.3 | L249 V250 F255 N273 I293 T298 | L249-Y291 HydrophobicContact CD2-CE1 4.26Å; V250-Y291 HydrophobicContact CG2-CD1 3.63Å; V250-Y291 HydrophobicContact CG2-CE1 4.17Å; V250-Y291 HydrophobicContact CG2-CG 4.17Å; F255-Y291 WeakPolarHBondContact CA-OH 3.48Å; F255-Y291 HydrophobicContact CD1-CE1 4.44Å; F255-Y291 HydrophobicContact CD1-CE2 4.33Å; F255-Y291 AromaticContact CD1-CZ 3.85Å; F255-Y291 PolarHBondContact O-OH 2.73Å; N273-Y291 PolarHBondContact ND2-OH 2.9Å; Y291-I293 HydrophobicContact CD2-CD1 3.66Å; Y291-I293 HydrophobicContact CD2-CG1 3.85Å; Y291-I293 HydrophobicContact CE2-CD1 4.1Å; Y291-I293 HydrophobicContact CG-CD1 4.28Å; Y291-T298 HydrophobicContact CE1-CG2 4.18Å; Y291-T298 HydrophobicContact CE2-CG2 4.14Å; Y291-T298 WeakPolarHBondContact CE2-OG1 3.27Å; Y291-T298 PolarHBondContact N-O 3.3Å; Y291-T298 VanDerWaalsContact N-O 3.14Å; Y291-T298 PolarHBondContact O-N 2.73Å |
| 292 | G | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112 | N219 K296 | N219-G292 WeakPolarHBondContact CB-O 3.26Å; N219-G292 PolarHBondContact N-O 3.49Å; N219-G292 PolarHBondContact OD1-N 3.16Å; G292-K296 CarbonylContact C-O 3.59Å; G292-K296 VanDerWaalsContact CA-O 3.23Å; G292-K296 WeakPolarHBondContact CA-O 3.45Å |
| 293 | I | 97.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.9 | 178.4 | -57.4 | 172.8 | 0 | 0 | 0 | 107.9 | F255 Y291 G295 K296 L445 | F255-I293 HydrophobicContact CE1-CD1 4.44Å; Y291-I293 HydrophobicContact CD2-CD1 3.66Å; Y291-I293 HydrophobicContact CD2-CG1 3.85Å; Y291-I293 HydrophobicContact CE2-CD1 4.1Å; Y291-I293 HydrophobicContact CG-CD1 4.28Å; I293-G295 PolarHBondContact O-N 3.38Å; I293-G295 VanDerWaalsContact O-N 3.17Å; I293-K296 PolarHBondContact N-O 3.07Å; I293-K296 PolarHBondContact O-N 3Å; I293-L445 HydrophobicContact CD1-CD2 3.57Å; I293-L445 HydrophobicContact CG1-CD2 3.96Å |
| 294 | D | 93.4 | Very high | 97.2 | Very high | 148 Ų | 148 | 20.7 Ų | 20.7 | 79% | 0.791 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.6 | 177.1 | -63.1 | -30.5 | 0 | 0 | 0 | 114.5 | K296 | D294-K296 PolarHBondContact O-N 3.46Š|
| 295 | G | 94.5 | Very high | 97.3 | Very high | 85 Ų | 85 | 20 Ų | 20 | 88% | 0.876 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I293 | I293-G295 PolarHBondContact O-N 3.38Å; I293-G295 VanDerWaalsContact O-N 3.17Å |
| 296 | K | 97.2 | Very high | 96.9 | Very high | 112 Ų | 112 | 20.5 Ų | 20.5 | 49% | 0.487 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 143.2 | 175.7 | -65.9 | -179.5 | 164.3 | -141.6 | 0 | 110.8 | E276 G292 I293 D294 | E276-K296 IonicContact OE1-NZ 2.79Å; E276-K296 PolarHBondContact OE1-NZ 2.77Å; G292-K296 CarbonylContact C-O 3.59Å; G292-K296 VanDerWaalsContact CA-O 3.23Å; G292-K296 WeakPolarHBondContact CA-O 3.45Å; I293-K296 PolarHBondContact N-O 3.07Å; I293-K296 PolarHBondContact O-N 3Å; D294-K296 PolarHBondContact O-N 3.46Å |
| 297 | V | 98.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 12% | 0.115 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.4 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | Y182 L196 E276 I289 Y299 | Y182-V297 HydrophobicContact CD2-CG2 4.42Å; Y182-V297 HydrophobicContact CE2-CG2 4.28Å; L196-V297 HydrophobicContact CD1-CG2 3.7Å; L196-V297 HydrophobicContact CD2-CG1 4.42Å; L196-V297 HydrophobicContact CD2-CG2 4.21Å; E276-V297 WeakPolarHBondContact CA-O 3.43Å; I289-V297 HydrophobicContact CD1-CG1 4.31Å; I289-V297 HydrophobicContact CG1-CG1 4.2Å; I289-V297 HydrophobicContact CG2-CG1 3.73Å; V297-Y299 HydrophobicContact CG1-CE1 4.42Å; V297-Y299 HydrophobicContact CG1-CE2 4.13Å |
| 298 | T | 98.7 | Very high | 96.3 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.1 | 170.9 | -63.6 | 0 | 0 | 0 | 0 | 108.7 | N273 G290 Y291 | N273-T298 VanDerWaalsContact OD1-CG2 3.26Å; N273-T298 WeakPolarHBondContact OD1-CG2 3.26Å; G290-T298 VanDerWaalsContact CA-O 3.29Å; G290-T298 WeakPolarHBondContact CA-O 3.49Å; G290-T298 PolarHBondContact N-O 2.68Å; Y291-T298 HydrophobicContact CE1-CG2 4.18Å; Y291-T298 HydrophobicContact CE2-CG2 4.14Å; Y291-T298 WeakPolarHBondContact CE2-OG1 3.27Å; Y291-T298 PolarHBondContact N-O 3.3Å; Y291-T298 VanDerWaalsContact N-O 3.14Å; Y291-T298 PolarHBondContact O-N 2.73Å |
| 299 | Y | 98.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 21.4 Ų | 21.4 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 165.4 | 175.9 | -66 | -86.6 | 0 | 0 | 0 | 112 | I193 T274 G275 E276 P278 T288 I289 V297 | I193-Y299 HydrophobicContact CB-CE1 4.19Å; I193-Y299 HydrophobicContact CD1-CD1 4.33Å; I193-Y299 HydrophobicContact CD1-CE1 4.16Å; I193-Y299 HydrophobicContact CG1-CE1 4.3Å; I193-Y299 WeakPolarHBondContact O-CE1 3.29Å; I193-Y299 PolarHBondContact O-OH 2.82Å; T274-Y299 PolarHBondContact N-O 3.22Å; T274-Y299 VanDerWaalsContact OG1-C 3.27Å; T274-Y299 VanDerWaalsContact OG1-CB 3.29Å; T274-Y299 WeakPolarHBondContact OG1-CB 3.04Å; T274-Y299 PolarHBondContact OG1-O 3.38Å; G275-Y299 PolarHBondContact O-N 2.75Å; E276-Y299 WeakPolarHBondContact O-CD2 3.44Å; E276-Y299 WeakPolarHBondContact O-CE2 3.32Å; P278-Y299 HydrophobicContact CB-CD1 3.75Å; P278-Y299 HydrophobicContact CB-CD2 4.08Å; P278-Y299 HydrophobicContact CB-CE1 4.08Å; P278-Y299 HydrophobicContact CB-CE2 4.39Å; P278-Y299 HydrophobicContact CB-CG 3.75Å; P278-Y299 HydrophobicContact CG-CD1 4.47Å; P278-Y299 HydrophobicContact CG-CD2 4.3Å; P278-Y299 HydrophobicContact CG-CE1 4.37Å; P278-Y299 HydrophobicContact CG-CE2 4.21Å; P278-Y299 HydrophobicContact CG-CG 4.43Å; T288-Y299 WeakPolarHBondContact O-CA 3.38Å; I289-Y299 HydrophobicContact CG1-CD1 4.19Å; I289-Y299 HydrophobicContact CG1-CE1 4.02Å; V297-Y299 HydrophobicContact CG1-CE1 4.42Å; V297-Y299 HydrophobicContact CG1-CE2 4.13Å |
| 300 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V271 M272 T288 | V271-A300 HydrophobicContact CG1-CB 3.74Å; M272-A300 CarbonylContact O-C 3.53Å; M272-A300 WeakPolarHBondContact O-CA 3.39Å; M272-A300 VanDerWaalsContact O-CB 3.25Å; M272-A300 WeakPolarHBondContact O-CB 3.16Å; T288-A300 HydrophobicContact CG2-CB 3.94Å; T288-A300 PolarHBondContact N-O 2.88Å; T288-A300 PolarHBondContact O-N 3.42Å |
| 301 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.5 | 160.3 | -83.2 | 173.8 | 0 | 0 | 0 | 108.8 | V271 M272 T274 I279 L285 L286 M394 D397 | V271-L301 WeakPolarHBondContact CA-O 3.48Å; M272-L301 HydrophobicContact CB-CB 4.39Å; M272-L301 PolarHBondContact N-O 3.24Å; M272-L301 PolarHBondContact O-N 2.92Å; T274-L301 HydrophobicContact CG2-CB 4.26Å; T274-L301 HydrophobicContact CG2-CD1 4.28Å; T274-L301 HydrophobicContact CG2-CG 3.97Å; I279-L301 HydrophobicContact CB-CD1 3.98Å; I279-L301 HydrophobicContact CB-CD2 4.46Å; I279-L301 HydrophobicContact CB-CG 4.19Å; I279-L301 HydrophobicContact CD1-CD1 4.32Å; I279-L301 HydrophobicContact CG2-CD1 3.93Å; I279-L301 WeakPolarHBondContact O-CD2 3.34Å; L285-L301 HydrophobicContact CB-CD2 4.29Å; L286-L301 CarbonylContact O-C 3.55Å; L286-L301 WeakPolarHBondContact O-CA 3.26Å; L301-M394 HydrophobicContact CB-CE 4.5Å; L301-M394 VanDerWaalsContact O-CE 3.3Å; L301-M394 WeakPolarHBondContact O-CE 3.41Å; L301-D397 HydrophobicContact CD1-CB 4.2Å |
| 302 | E | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.5 | -179.8 | 179.4 | -174.3 | 148.7 | 0 | 0 | 111.6 | R82 R187 I270 V271 L286 T288 S304 | R82-E302 IonicContact CZ-OE1 2.99Å; R82-E302 IonicContact CZ-OE2 2.83Å; R82-E302 IonicContact NH1-OE1 3.16Å; R82-E302 PolarHBondContact NH1-OE1 3.33Å; R82-E302 IonicContact NH1-OE2 2.77Å; R82-E302 PolarHBondContact NH1-OE2 3.26Å; R82-E302 IonicContact NH2-OE1 2.67Å; R82-E302 PolarHBondContact NH2-OE1 3.45Å; R82-E302 IonicContact NH2-OE2 2.65Å; R187-E302 IonicContact CZ-OE1 2.64Å; R187-E302 IonicContact CZ-OE2 3.56Å; R187-E302 IonicContact NH1-OE1 2.72Å; R187-E302 IonicContact NH1-OE2 3.33Å; R187-E302 PolarHBondContact NH1-OE2 3.01Å; R187-E302 IonicContact NH2-OE1 2.56Å; R187-E302 PolarHBondContact NH2-OE1 2.88Å; R187-E302 IonicContact NH2-OE2 2.81Å; R187-E302 PolarHBondContact NH2-OE2 3.32Å; I270-E302 VanDerWaalsContact O-CA 3.3Å; I270-E302 WeakPolarHBondContact O-CA 3.29Å; V271-E302 HydrophobicContact CG2-CG 4.23Å; L286-E302 HydrophobicContact CB-CB 4.36Å; L286-E302 PolarHBondContact N-O 2.84Å; L286-E302 PolarHBondContact O-N 3.24Å; T288-E302 HydrophobicContact CG2-CB 4.4Å; E302-S304 PolarHBondContact OE1-OG 3.23Å |
| 303 | G | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I270 | I270-G303 PolarHBondContact N-O 3.46Å; I270-G303 VanDerWaalsContact N-O 3.07Å; I270-G303 PolarHBondContact O-N 3.19Å |
| 304 | S | 92.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.7 | -174.6 | -41.2 | 0 | 0 | 0 | 0 | 110.2 | E302 G351 A352 | E302-S304 PolarHBondContact OE1-OG 3.23Å; S304-G351 CarbonylContact O-C 3.46Å; S304-G351 WeakPolarHBondContact O-CA 3.33Å; S304-A352 PolarHBondContact O-N 2.85Å |
| 305 | V | 94 | Very high | 95 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 105.2 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | G267 A268 I270 V307 Q386 V390 | G267-V305 CarbonylContact C-O 3.58Å; G267-V305 WeakPolarHBondContact CA-O 3.41Å; A268-V305 HydrophobicContact CB-CB 4.05Å; A268-V305 HydrophobicContact CB-CG1 4.49Å; A268-V305 PolarHBondContact N-O 2.89Å; A268-V305 WeakPolarHBondContact O-CA 3.47Å; A268-V305 VanDerWaalsContact O-CB 3.32Å; A268-V305 WeakPolarHBondContact O-CB 3.25Å; A268-V305 PolarHBondContact O-N 3.27Å; I270-V305 HydrophobicContact CD1-CG2 4.2Å; V305-V307 VanDerWaalsContact C-N 3.28Å; V305-V307 PolarHBondContact O-N 2.82Å; V305-Q386 HydrophobicContact CG1-CB 3.76Å; V305-Q386 HydrophobicContact CG1-CG 4.22Å; V305-Q386 HydrophobicContact CG2-CB 3.99Å; V305-V390 HydrophobicContact CG2-CG2 4.01Å |
| 306 | F | 89.3 | Confident | 95.1 | Very high | 10 Ų | 10 | 22 Ų | 22 | 4% | 0.044 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -65.8 | -28.3 | -169.5 | -56 | -38.3 | 0 | 0 | 0 | 114.3 | W102 Y134 G351 W355 | W102-F306 AromaticContact CZ3-CD1 3.98Å; W102-F306 HydrophobicContact CZ3-CD1 3.98Å; Y134-F306 HydrophobicContact CD1-CE1 4.25Å; Y134-F306 HydrophobicContact CE1-CE1 4.33Å; Y134-F306 HydrophobicContact CG-CE1 4.44Å; F306-G351 VanDerWaalsContact CE2-CA 3.41Å; F306-W355 HydrophobicContact CZ-CH2 4.46Å; F306-W355 AromaticContact CZ-CZ3 3.99Å; F306-W355 HydrophobicContact CZ-CZ3 3.99Å |
| 307 | V | 89.3 | Confident | 94.9 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.036 | 10% | 0.102 | C | C | . | . | trans | -124.6 | 107.4 | -174.3 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | V305 S310 A311 P345 F347 Q386 | V305-V307 VanDerWaalsContact C-N 3.28Å; V305-V307 PolarHBondContact O-N 2.82Å; V307-S310 WeakPolarHBondContact CG1-OG 3.43Å; V307-A311 HydrophobicContact CG1-CB 3.96Å; V307-P345 HydrophobicContact CB-CB 4.5Å; V307-P345 WeakPolarHBondContact CB-O 3.48Å; V307-P345 HydrophobicContact CG1-CB 3.8Å; V307-P345 HydrophobicContact CG1-CG 4.28Å; V307-P345 VanDerWaalsContact CG1-O 3.28Å; V307-P345 WeakPolarHBondContact CG1-O 3.44Å; V307-P345 WeakPolarHBondContact CG2-O 3.39Å; V307-F347 HydrophobicContact CG1-CD2 3.65Å; V307-F347 HydrophobicContact CG1-CE2 3.79Å; V307-F347 HydrophobicContact CG2-CB 4.28Å; V307-F347 HydrophobicContact CG2-CD2 4.19Å; V307-Q386 PolarHBondContact O-NE2 3.36Å | ||
| 308 | A | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -128.6 | -88.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T266 A268 S310 A311 L383 | T266-A308 PolarHBondContact O-N 3.35Å; A268-A308 HydrophobicContact CB-CB 3.76Å; A308-S310 PolarHBondContact O-N 2.67Å; A308-A311 VanDerWaalsContact O-CB 3.3Å; A308-A311 WeakPolarHBondContact O-CB 3.41Å; A308-A311 PolarHBondContact O-N 2.7Å; A308-L383 HydrophobicContact CB-CD2 4.02Å; A308-L383 HydrophobicContact CB-CG 3.95Å |
| 309 | G | 90.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -28 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G265 T266 A311 I312 Q313 | G265-G309 WeakPolarHBondContact O-CA 3.5Å; G265-G309 PolarHBondContact O-N 3.46Å; T266-G309 PolarHBondContact O-N 3.19Å; G309-A311 VanDerWaalsContact C-N 3.25Å; G309-A311 PolarHBondContact O-N 3.01Å; G309-I312 PolarHBondContact O-N 3.21Å; G309-I312 VanDerWaalsContact O-N 3.11Å; G309-Q313 PolarHBondContact O-N 2.8Å |
| 310 | S | 89.8 | Confident | 94.5 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -24.1 | 173.6 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | T266 V307 A308 Q313 W314 | T266-S310 PolarHBondContact O-N 3.05Å; T266-S310 PolarHBondContact O-OG 3.36Å; V307-S310 WeakPolarHBondContact CG1-OG 3.43Å; A308-S310 PolarHBondContact O-N 2.67Å; S310-Q313 PolarHBondContact O-N 2.88Å; S310-W314 WeakPolarHBondContact O-CB 3.45Å; S310-W314 PolarHBondContact O-N 2.71Å |
| 311 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V307 A308 G309 W314 L315 P345 F347 T379 L383 | V307-A311 HydrophobicContact CG1-CB 3.96Å; A308-A311 VanDerWaalsContact O-CB 3.3Å; A308-A311 WeakPolarHBondContact O-CB 3.41Å; A308-A311 PolarHBondContact O-N 2.7Å; G309-A311 VanDerWaalsContact C-N 3.25Å; G309-A311 PolarHBondContact O-N 3.01Å; A311-W314 WeakPolarHBondContact O-CB 3.37Å; A311-W314 PolarHBondContact O-N 3.45Å; A311-L315 WeakPolarHBondContact O-CG 3.03Å; A311-L315 PolarHBondContact O-N 2.88Å; A311-P345 HydrophobicContact CB-CB 4.04Å; A311-F347 HydrophobicContact CB-CE2 4.48Å; A311-T379 HydrophobicContact CB-CG2 3.79Å; A311-L383 HydrophobicContact CB-CD1 4.32Å |
| 312 | I | 96.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.7 | -37.1 | 177 | -54.1 | -54 | 0 | 0 | 0 | 110.9 | G309 L315 R316 F322 A325 T379 L380 | G309-I312 PolarHBondContact O-N 3.21Å; G309-I312 VanDerWaalsContact O-N 3.11Å; I312-L315 HydrophobicContact CD1-CD1 4.33Å; I312-L315 PolarHBondContact O-N 3.34Å; I312-R316 PolarHBondContact O-N 2.93Å; I312-R316 VanDerWaalsContact O-N 3.13Å; I312-F322 HydrophobicContact CG2-CE2 4.09Å; I312-F322 HydrophobicContact CG2-CZ 3.77Å; I312-F322 WeakPolarHBondContact O-CZ 3.45Å; I312-A325 HydrophobicContact CG2-CB 3.96Å; I312-T379 HydrophobicContact CD1-CG2 4.09Å; I312-L380 HydrophobicContact CD1-CD2 3.55Å; I312-L380 HydrophobicContact CD1-CG 3.96Å; I312-L380 HydrophobicContact CG1-CD2 4.18Å |
| 313 | Q | 92.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 170.8 | -67.9 | 174.5 | -16.1 | 0 | 0 | 111.6 | G309 S310 L315 R316 D317 | G309-Q313 PolarHBondContact O-N 2.8Å; S310-Q313 PolarHBondContact O-N 2.88Å; Q313-L315 VanDerWaalsContact C-N 3.35Å; Q313-L315 PolarHBondContact O-N 3.46Å; Q313-R316 CarbonylContact O-C 3.58Å; Q313-R316 WeakPolarHBondContact O-CA 3.33Å; Q313-R316 WeakPolarHBondContact O-CB 3.46Å; Q313-R316 PolarHBondContact O-N 3.2Å; Q313-D317 PolarHBondContact O-N 3.16Å |
| 314 | W | 94.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 28% | 0.284 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.5 | 166.6 | 75.1 | 0 | 0 | 0 | 112.4 | S310 A311 R316 G318 L319 F347 F375 | S310-W314 WeakPolarHBondContact O-CB 3.45Å; S310-W314 PolarHBondContact O-N 2.71Å; A311-W314 WeakPolarHBondContact O-CB 3.37Å; A311-W314 PolarHBondContact O-N 3.45Å; W314-R316 VanDerWaalsContact C-N 3.26Å; W314-R316 PolarHBondContact O-N 2.95Å; W314-G318 VanDerWaalsContact O-CA 3.3Å; W314-G318 WeakPolarHBondContact O-CA 3.37Å; W314-G318 PolarHBondContact O-N 3.2Å; W314-L319 HydrophobicContact CD2-CD1 4.49Å; W314-L319 HydrophobicContact CD2-CG 4.33Å; W314-L319 HydrophobicContact CE3-CD1 4.4Å; W314-L319 HydrophobicContact CH2-CD1 3.37Å; W314-L319 HydrophobicContact CH2-CG 4.09Å; W314-L319 HydrophobicContact CZ2-CD1 3.41Å; W314-L319 VanDerWaalsContact CZ2-CD1 3.41Å; W314-L319 HydrophobicContact CZ2-CD2 4Å; W314-L319 HydrophobicContact CZ2-CG 3.63Å; W314-L319 HydrophobicContact CZ3-CD1 3.88Å; W314-L319 PolarHBondContact O-N 3.04Å; W314-F347 HydrophobicContact CB-CE2 3.88Å; W314-F347 HydrophobicContact CB-CZ 4.22Å; W314-F347 HydrophobicContact CD2-CE1 4.33Å; W314-F347 HydrophobicContact CD2-CE2 4.16Å; W314-F347 AromaticContact CD2-CZ 3.57Å; W314-F347 HydrophobicContact CD2-CZ 3.57Å; W314-F347 HydrophobicContact CE3-CE1 4.49Å; W314-F347 HydrophobicContact CE3-CE2 4.36Å; W314-F347 AromaticContact CE3-CZ 3.62Å; W314-F347 HydrophobicContact CE3-CZ 3.62Å; W314-F347 AromaticContact CG-CE2 3.96Å; W314-F347 HydrophobicContact CG-CE2 3.96Å; W314-F347 AromaticContact CG-CZ 3.85Å; W314-F347 HydrophobicContact CG-CZ 3.85Å; W314-F347 HydrophobicContact CZ3-CZ 4.12Å; W314-F375 HydrophobicContact CH2-CE1 4.12Å; W314-F375 HydrophobicContact CH2-CZ 4.03Å; W314-F375 HydrophobicContact CZ3-CE1 4.05Å; W314-F375 HydrophobicContact CZ3-CZ 4.39Å |
| 315 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 172 | -67.6 | -176.6 | 0 | 0 | 0 | 112 | A311 I312 Q313 L319 R320 M321 F322 F375 I376 T379 | A311-L315 WeakPolarHBondContact O-CG 3.03Å; A311-L315 PolarHBondContact O-N 2.88Å; I312-L315 HydrophobicContact CD1-CD1 4.33Å; I312-L315 PolarHBondContact O-N 3.34Å; Q313-L315 VanDerWaalsContact C-N 3.35Å; Q313-L315 PolarHBondContact O-N 3.46Å; L315-L319 HydrophobicContact CD2-CD1 4.12Å; L315-R320 PolarHBondContact O-N 3.44Å; L315-M321 HydrophobicContact CB-CB 4.4Å; L315-M321 HydrophobicContact CD2-CG 4.33Å; L315-M321 WeakPolarHBondContact O-CB 3.41Å; L315-M321 PolarHBondContact O-N 3.37Å; L315-F322 HydrophobicContact CB-CE1 3.62Å; L315-F322 HydrophobicContact CB-CE2 4.44Å; L315-F322 HydrophobicContact CB-CZ 3.51Å; L315-F322 HydrophobicContact CD1-CE1 3.81Å; L315-F322 HydrophobicContact CD1-CZ 4.08Å; L315-F322 HydrophobicContact CG-CE1 4.39Å; L315-F322 HydrophobicContact CG-CZ 4.45Å; L315-F375 HydrophobicContact CD2-CD1 3.89Å; L315-F375 HydrophobicContact CD2-CE1 3.55Å; L315-I376 HydrophobicContact CD1-CG1 4.22Å; L315-I376 HydrophobicContact CD1-CG2 4.46Å; L315-T379 HydrophobicContact CD1-CG2 3.76Å; L315-T379 HydrophobicContact CG-CG2 4.16Å |
| 316 | R | 96.2 | Very high | 94.2 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 30% | 0.302 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.6 | -52.1 | 179 | -171.5 | -171.1 | 64.9 | -169.1 | -4.5 | 112.8 | I312 Q313 W314 R320 F322 Q323 | I312-R316 PolarHBondContact O-N 2.93Å; I312-R316 VanDerWaalsContact O-N 3.13Å; Q313-R316 CarbonylContact O-C 3.58Å; Q313-R316 WeakPolarHBondContact O-CA 3.33Å; Q313-R316 WeakPolarHBondContact O-CB 3.46Å; Q313-R316 PolarHBondContact O-N 3.2Å; W314-R316 VanDerWaalsContact C-N 3.26Å; W314-R316 PolarHBondContact O-N 2.95Å; R316-R320 VanDerWaalsContact O-CA 3.25Å; R316-R320 WeakPolarHBondContact O-CA 3.45Å; R316-F322 HydrophobicContact CB-CD2 4.03Å; R316-F322 HydrophobicContact CB-CE2 3.71Å; R316-F322 HydrophobicContact CG-CD2 4.25Å; R316-F322 HydrophobicContact CG-CE2 4.34Å; R316-F322 WeakPolarHBondContact CG-O 3.43Å; R316-Q323 WeakPolarHBondContact CD-O 3.23Å |
| 317 | D | 92.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -97.1 | -43.3 | -165.8 | -59 | -28.5 | 0 | 0 | 0 | 112 | Q313 | Q313-D317 PolarHBondContact O-N 3.16Å |
| 318 | G | 92.5 | Very high | 95 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -61.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W314 | W314-G318 VanDerWaalsContact O-CA 3.3Å; W314-G318 WeakPolarHBondContact O-CA 3.37Å; W314-G318 PolarHBondContact O-N 3.2Å |
| 319 | L | 96.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 61 Ų | 61 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -87.2 | -12.4 | -177.6 | -63.7 | -168.2 | 0 | 0 | 0 | 114.3 | W314 L315 M321 F375 | W314-L319 HydrophobicContact CD2-CD1 4.49Å; W314-L319 HydrophobicContact CD2-CG 4.33Å; W314-L319 HydrophobicContact CE3-CD1 4.4Å; W314-L319 HydrophobicContact CH2-CD1 3.37Å; W314-L319 HydrophobicContact CH2-CG 4.09Å; W314-L319 HydrophobicContact CZ2-CD1 3.41Å; W314-L319 VanDerWaalsContact CZ2-CD1 3.41Å; W314-L319 HydrophobicContact CZ2-CD2 4Å; W314-L319 HydrophobicContact CZ2-CG 3.63Å; W314-L319 HydrophobicContact CZ3-CD1 3.88Å; W314-L319 PolarHBondContact O-N 3.04Å; L315-L319 HydrophobicContact CD2-CD1 4.12Å; L319-M321 HydrophobicContact CB-CE 4.16Å; L319-M321 HydrophobicContact CB-CG 3.81Å; L319-M321 HydrophobicContact CD1-CE 3.96Å; L319-M321 PolarHBondContact O-N 3.02Å; L319-F375 HydrophobicContact CD1-CE1 3.78Å; L319-F375 HydrophobicContact CD1-CZ 3.88Å |
| 320 | R | 97.3 | Very high | 95.5 | Very high | 211 Ų | 211 | 65.1 Ų | 65.1 | 80% | 0.796 | 33% | 0.325 | S | S | * | . | trans | 54.3 | 35.8 | 178.9 | -55.6 | 178.6 | -177.4 | 178.1 | -0.6 | 113.2 | L315 R316 F322 | L315-R320 PolarHBondContact O-N 3.44Å; R316-R320 VanDerWaalsContact O-CA 3.25Å; R316-R320 WeakPolarHBondContact O-CA 3.45Å; R320-F322 VanDerWaalsContact C-N 3.32Å | ||
| 321 | M | 97.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -69.3 | -31.7 | 177.9 | -66.6 | -66 | -175.3 | 0 | 0 | 110.8 | L315 L319 K372 I376 | L315-M321 HydrophobicContact CB-CB 4.4Å; L315-M321 HydrophobicContact CD2-CG 4.33Å; L315-M321 WeakPolarHBondContact O-CB 3.41Å; L315-M321 PolarHBondContact O-N 3.37Å; L319-M321 HydrophobicContact CB-CE 4.16Å; L319-M321 HydrophobicContact CB-CG 3.81Å; L319-M321 HydrophobicContact CD1-CE 3.96Å; L319-M321 PolarHBondContact O-N 3.02Å; M321-K372 WeakPolarHBondContact O-CE 3.39Å; M321-K372 PolarHBondContact O-NZ 3.41Å; M321-K372 HydrophobicContact SD-CD 4.45Å; M321-K372 HydrophobicContact SD-CG 4.01Å; M321-I376 HydrophobicContact CB-CD1 4.37Å |
| 322 | F | 96.9 | Very high | 96 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | trans | -150.9 | 166 | 174.7 | 45.2 | -102.9 | 0 | 0 | 0 | 110.3 | I312 L315 R316 R320 K324 Q327 Y331 I376 | I312-F322 HydrophobicContact CG2-CE2 4.09Å; I312-F322 HydrophobicContact CG2-CZ 3.77Å; I312-F322 WeakPolarHBondContact O-CZ 3.45Å; L315-F322 HydrophobicContact CB-CE1 3.62Å; L315-F322 HydrophobicContact CB-CE2 4.44Å; L315-F322 HydrophobicContact CB-CZ 3.51Å; L315-F322 HydrophobicContact CD1-CE1 3.81Å; L315-F322 HydrophobicContact CD1-CZ 4.08Å; L315-F322 HydrophobicContact CG-CE1 4.39Å; L315-F322 HydrophobicContact CG-CZ 4.45Å; R316-F322 HydrophobicContact CB-CD2 4.03Å; R316-F322 HydrophobicContact CB-CE2 3.71Å; R316-F322 HydrophobicContact CG-CD2 4.25Å; R316-F322 HydrophobicContact CG-CE2 4.34Å; R316-F322 WeakPolarHBondContact CG-O 3.43Å; R320-F322 VanDerWaalsContact C-N 3.32Å; F322-K324 VanDerWaalsContact CD2-O 3.22Å; F322-K324 WeakPolarHBondContact CD2-O 3.29Å; F322-Q327 HydrophobicContact CB-CB 4.02Å; F322-Q327 HydrophobicContact CG-CB 4.4Å; F322-Y331 HydrophobicContact CB-CD2 4.25Å; F322-Y331 HydrophobicContact CB-CE2 3.91Å; F322-Y331 HydrophobicContact CD1-CD2 4.41Å; F322-I376 HydrophobicContact CD1-CD1 3.87Å; F322-I376 HydrophobicContact CD1-CG1 4.36Å; F322-I376 HydrophobicContact CE1-CD1 4.2Å; F322-I376 HydrophobicContact CE1-CG1 4.19Å; F322-I376 HydrophobicContact CE1-CG2 4.28Å | ||
| 323 | Q | 95.9 | Very high | 96.1 | Very high | 164 Ų | 164 | 71 Ų | 71 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -88.4 | -32.3 | -175.3 | -66 | -178.1 | -17 | 0 | 0 | 112.4 | R316 | R316-Q323 WeakPolarHBondContact CD-O 3.23Š|
| 324 | K | 95.1 | Very high | 96.3 | Very high | 143 Ų | 143 | 74.9 Ų | 74.9 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -131.3 | 138.5 | -178.1 | -58 | -176.2 | 179.7 | -178.1 | 0 | 110.1 | F322 P326 Q327 | F322-K324 VanDerWaalsContact CD2-O 3.22Å; F322-K324 WeakPolarHBondContact CD2-O 3.29Å; K324-P326 VanDerWaalsContact C-CD 3.44Å; K324-P326 VanDerWaalsContact C-N 3.33Å; K324-Q327 HydrophobicContact CB-CG 4.24Å; K324-Q327 VanDerWaalsContact O-CB 3.27Å; K324-Q327 WeakPolarHBondContact O-CB 3.32Å; K324-Q327 WeakPolarHBondContact O-CG 3.31Å; K324-Q327 PolarHBondContact O-N 3.15Å |
| 325 | A | 93 | Very high | 96.5 | Very high | 34 Ų | 34 | 72.2 Ų | 72.2 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I312 Q327 S328 | I312-A325 HydrophobicContact CG2-CB 3.96Å; A325-Q327 PolarHBondContact O-N 3.32Å; A325-Q327 VanDerWaalsContact O-N 3.14Å; A325-S328 VanDerWaalsContact O-CB 3.29Å; A325-S328 WeakPolarHBondContact O-CB 3.47Å; A325-S328 PolarHBondContact O-N 3.01Å; A325-S328 PolarHBondContact O-OG 2.87Å |
| 326 | P | 95.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 79.8 Ų | 79.8 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.7 | 177.1 | -26.9 | 36.7 | 0 | 0 | 0 | 114.6 | K324 S328 E329 | K324-P326 VanDerWaalsContact C-CD 3.44Å; K324-P326 VanDerWaalsContact C-N 3.33Å; P326-S328 PolarHBondContact O-N 3.44Å; P326-S328 VanDerWaalsContact O-N 3.16Å; P326-E329 PolarHBondContact O-N 3.07Å |
| 327 | Q | 97.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 78.4 Ų | 78.4 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -17.8 | 177.3 | -59.7 | 180 | -65.4 | 0 | 0 | 112.4 | F322 K324 A325 E329 D330 Y331 | F322-Q327 HydrophobicContact CB-CB 4.02Å; F322-Q327 HydrophobicContact CG-CB 4.4Å; K324-Q327 HydrophobicContact CB-CG 4.24Å; K324-Q327 VanDerWaalsContact O-CB 3.27Å; K324-Q327 WeakPolarHBondContact O-CB 3.32Å; K324-Q327 WeakPolarHBondContact O-CG 3.31Å; K324-Q327 PolarHBondContact O-N 3.15Å; A325-Q327 PolarHBondContact O-N 3.32Å; A325-Q327 VanDerWaalsContact O-N 3.14Å; Q327-E329 PolarHBondContact O-N 3.35Å; Q327-D330 PolarHBondContact O-N 3.2Å; Q327-Y331 HydrophobicContact CB-CD2 4.32Å; Q327-Y331 HydrophobicContact CB-CE2 4.32Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.41Å; Q327-Y331 PolarHBondContact O-N 2.96Å |
| 328 | S | 97.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.4 | -37.9 | 174 | 60.1 | 0 | 0 | 0 | 0 | 112 | A325 P326 A332 I376 | A325-S328 VanDerWaalsContact O-CB 3.29Å; A325-S328 WeakPolarHBondContact O-CB 3.47Å; A325-S328 PolarHBondContact O-N 3.01Å; A325-S328 PolarHBondContact O-OG 2.87Å; P326-S328 PolarHBondContact O-N 3.44Å; P326-S328 VanDerWaalsContact O-N 3.16Å; S328-A332 VanDerWaalsContact O-CB 3.3Å; S328-A332 WeakPolarHBondContact O-CB 3.4Å; S328-A332 PolarHBondContact O-N 2.96Å; S328-I376 VanDerWaalsContact O-CG2 3.31Å; S328-I376 WeakPolarHBondContact O-CG2 3.4Å |
| 329 | E | 97.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -47.2 | 176.6 | -171.4 | 172.2 | 179.6 | 0 | 0 | 111.7 | P326 Q327 Y331 A332 K333 D415 L416 | P326-E329 PolarHBondContact O-N 3.07Å; Q327-E329 PolarHBondContact O-N 3.35Å; E329-Y331 VanDerWaalsContact C-N 3.26Å; E329-Y331 PolarHBondContact O-N 3.07Å; E329-A332 PolarHBondContact O-N 2.77Å; E329-K333 HydrophobicContact CG-CD 4.13Å; E329-K333 WeakPolarHBondContact O-CB 3.35Å; E329-K333 WeakPolarHBondContact O-CG 3.25Å; E329-K333 PolarHBondContact O-N 3.5Å; E329-K333 WeakPolarHBondContact OE1-CE 3.43Å; E329-K333 IonicContact OE1-NZ 2.7Å; E329-K333 PolarHBondContact OE1-NZ 3.15Å; E329-D415 PolarHBondContact OE1-N 2.92Å; E329-L416 HydrophobicContact CG-CB 4.3Å |
| 330 | D | 97.6 | Very high | 96.6 | Very high | 97 Ų | 97 | 77.8 Ų | 77.8 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 178.7 | -66.4 | -30.4 | 0 | 0 | 0 | 112.6 | Q327 R334 | Q327-D330 PolarHBondContact O-N 3.2Å; D330-R334 WeakPolarHBondContact O-CG 3.39Å; D330-R334 PolarHBondContact O-NE 2.79Å |
| 331 | Y | 98.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.8 | -43.8 | 175.7 | -80.7 | -68.5 | 0 | 0 | 0 | 111.7 | F322 Q327 E329 K333 R334 K372 E373 I376 | F322-Y331 HydrophobicContact CB-CD2 4.25Å; F322-Y331 HydrophobicContact CB-CE2 3.91Å; F322-Y331 HydrophobicContact CD1-CD2 4.41Å; Q327-Y331 HydrophobicContact CB-CD2 4.32Å; Q327-Y331 HydrophobicContact CB-CE2 4.32Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.41Å; Q327-Y331 PolarHBondContact O-N 2.96Å; E329-Y331 VanDerWaalsContact C-N 3.26Å; E329-Y331 PolarHBondContact O-N 3.07Å; Y331-K333 VanDerWaalsContact C-N 3.28Å; Y331-K333 PolarHBondContact O-N 3.34Å; Y331-R334 WeakPolarHBondContact O-CB 3.3Å; Y331-R334 PolarHBondContact O-N 3.43Å; Y331-K372 HydrophobicContact CE1-CD 4.44Å; Y331-K372 PolarHBondContact OH-NZ 2.7Å; Y331-E373 HydrophobicContact CD1-CG 4.22Å; Y331-E373 WeakPolarHBondContact CD1-OE1 3.47Å; Y331-E373 WeakPolarHBondContact O-CG 3.21Å; Y331-I376 HydrophobicContact CD1-CD1 4.37Å; Y331-I376 HydrophobicContact CD2-CD1 3.93Å; Y331-I376 HydrophobicContact CG-CD1 3.7Å |
| 332 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -31.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S328 E329 R334 V335 I376 R377 L380 L416 | S328-A332 VanDerWaalsContact O-CB 3.3Å; S328-A332 WeakPolarHBondContact O-CB 3.4Å; S328-A332 PolarHBondContact O-N 2.96Å; E329-A332 PolarHBondContact O-N 2.77Å; A332-R334 PolarHBondContact O-N 3.41Å; A332-V335 WeakPolarHBondContact O-CG2 3.37Å; A332-I376 HydrophobicContact CB-CG2 4.44Å; A332-R377 HydrophobicContact CB-CB 3.91Å; A332-R377 HydrophobicContact CB-CG 4.37Å; A332-R377 WeakPolarHBondContact O-CD 3.48Å; A332-L380 HydrophobicContact CB-CD1 3.66Å; A332-L416 HydrophobicContact CB-CD1 3.97Å; A332-L416 HydrophobicContact CB-CD2 4.37Å |
| 333 | K | 97.7 | Very high | 96.9 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.2 | 176 | -75.2 | 179.7 | -179.3 | 173.1 | 0 | 114.9 | E329 Y331 V335 L416 | E329-K333 HydrophobicContact CG-CD 4.13Å; E329-K333 WeakPolarHBondContact O-CB 3.35Å; E329-K333 WeakPolarHBondContact O-CG 3.25Å; E329-K333 PolarHBondContact O-N 3.5Å; E329-K333 WeakPolarHBondContact OE1-CE 3.43Å; E329-K333 IonicContact OE1-NZ 2.7Å; E329-K333 PolarHBondContact OE1-NZ 3.15Å; Y331-K333 VanDerWaalsContact C-N 3.28Å; Y331-K333 PolarHBondContact O-N 3.34Å; K333-V335 VanDerWaalsContact C-N 3.29Å; K333-L416 HydrophobicContact CB-CD1 4.47Å; K333-L416 HydrophobicContact CG-CD1 3.56Å |
| 334 | R | 97.9 | Very high | 97 | Very high | 155 Ų | 155 | 58 Ų | 58 | 59% | 0.585 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.8 | 179.7 | -68.2 | 169.5 | -167.8 | -155.9 | -4.5 | 113.7 | D330 Y331 A332 E373 | D330-R334 WeakPolarHBondContact O-CG 3.39Å; D330-R334 PolarHBondContact O-NE 2.79Å; Y331-R334 WeakPolarHBondContact O-CB 3.3Å; Y331-R334 PolarHBondContact O-N 3.43Å; A332-R334 PolarHBondContact O-N 3.41Å; R334-E373 HydrophobicContact CB-CB 4.5Å; R334-E373 HydrophobicContact CB-CG 3.82Å |
| 335 | V | 97.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -129.8 | 144 | 179.1 | -67.1 | 0 | 0 | 0 | 0 | 108.3 | A332 K333 S337 E373 H374 R377 | A332-V335 WeakPolarHBondContact O-CG2 3.37Å; K333-V335 VanDerWaalsContact C-N 3.29Å; V335-S337 VanDerWaalsContact C-N 3.33Å; V335-S337 WeakPolarHBondContact CG2-O 3.41Å; V335-E373 HydrophobicContact CB-CB 4.42Å; V335-E373 HydrophobicContact CG1-CB 3.52Å; V335-E373 HydrophobicContact CG1-CG 4.42Å; V335-E373 HydrophobicContact CG2-CB 4.01Å; V335-H374 VanDerWaalsContact CG1-CD2 3.49Å; V335-H374 WeakPolarHBondContact CG1-CD2 3.43Å; V335-H374 VanDerWaalsContact CG1-NE2 3.31Å; V335-H374 WeakPolarHBondContact CG1-NE2 3.47Å; V335-R377 HydrophobicContact CG2-CB 4.23Å; V335-R377 PolarHBondContact O-NH1 3.48Å |
| 336 | D | 94.7 | Very high | 97.2 | Very high | 159 Ų | 159 | 49.6 Ų | 49.6 | 85% | 0.85 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -74.9 | -26.7 | -175.4 | -63 | -35 | 0 | 0 | 0 | 112.1 | R377 | D336-R377 PolarHBondContact O-NH1 3.04Å; D336-R377 PolarHBondContact O-NH2 3.06Å |
| 337 | S | 96.4 | Very high | 97 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -149.4 | 178.4 | 178.5 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | V335 E339 H374 | V335-S337 VanDerWaalsContact C-N 3.33Å; V335-S337 WeakPolarHBondContact CG2-O 3.41Å; S337-E339 VanDerWaalsContact C-N 3.28Å; S337-E339 PolarHBondContact OG-N 2.92Å; S337-E339 VanDerWaalsContact OG-N 3.1Å; S337-H374 PolarHBondContact O-CD2 3.1Å; S337-H374 VanDerWaalsContact O-CD2 3.31Å |
| 338 | S | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | trans | -81.2 | -0.4 | 168 | 49.7 | 0 | 0 | 0 | 0 | 114 | N340 V341 E381 | S338-N340 VanDerWaalsContact C-N 3.34Å; S338-N340 PolarHBondContact O-N 3.23Å; S338-V341 VanDerWaalsContact O-CB 3.22Å; S338-V341 WeakPolarHBondContact O-CB 3.41Å; S338-V341 VanDerWaalsContact O-CG2 3.24Å; S338-V341 WeakPolarHBondContact O-CG2 3.27Å; S338-V341 PolarHBondContact O-N 3.08Å; S338-E381 WeakPolarHBondContact CB-OE2 3.4Å; S338-E381 PolarHBondContact OG-OE2 2.72Å | ||
| 339 | E | 95.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 45.8 | -177.4 | -64 | -170 | 156.4 | 0 | 0 | 113.8 | S337 V341 H374 | S337-E339 VanDerWaalsContact C-N 3.28Å; S337-E339 PolarHBondContact OG-N 2.92Å; S337-E339 VanDerWaalsContact OG-N 3.1Å; E339-V341 PolarHBondContact O-N 3.19Å; E339-H374 IonicContact OE1-CE1 3.44Å; E339-H374 IonicContact OE1-NE2 3.05Å; E339-H374 IonicContact OE2-CE1 2.74Å; E339-H374 PolarHBondContact OE2-CE1 3.31Å; E339-H374 IonicContact OE2-ND1 3.4Å; E339-H374 PolarHBondContact OE2-ND1 3.23Å; E339-H374 IonicContact OE2-NE2 3.52Å |
| 340 | N | 95.9 | Very high | 96 | Very high | 93 Ų | 93 | 46 Ų | 46 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 16.7 | -175.6 | -77.7 | -33.4 | 0 | 0 | 0 | 115.2 | S338 Y342 G365 | S338-N340 VanDerWaalsContact C-N 3.34Å; S338-N340 PolarHBondContact O-N 3.23Å; N340-Y342 HydrophobicContact CB-CE2 4.42Å; N340-Y342 VanDerWaalsContact O-CD2 3.26Å; N340-Y342 WeakPolarHBondContact O-CD2 3.07Å; N340-G365 WeakPolarHBondContact O-CA 3.3Å |
| 341 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -78 | 123.6 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | S338 E339 I363 F364 L366 T370 A378 | S338-V341 VanDerWaalsContact O-CB 3.22Å; S338-V341 WeakPolarHBondContact O-CB 3.41Å; S338-V341 VanDerWaalsContact O-CG2 3.24Å; S338-V341 WeakPolarHBondContact O-CG2 3.27Å; S338-V341 PolarHBondContact O-N 3.08Å; E339-V341 PolarHBondContact O-N 3.19Å; V341-I363 HydrophobicContact CG1-CG2 4.31Å; V341-F364 WeakPolarHBondContact CA-O 3.14Å; V341-L366 HydrophobicContact CG1-CD2 3.92Å; V341-L366 HydrophobicContact CG2-CD2 4.29Å; V341-T370 HydrophobicContact CG2-CG2 3.76Å; V341-A378 HydrophobicContact CB-CB 4.11Å; V341-A378 HydrophobicContact CG1-CB 3.83Å; V341-A378 WeakPolarHBondContact O-CB 3.22Å | ||
| 342 | Y | 98.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.7 | 175 | -66.9 | -85.4 | 0 | 0 | 0 | 109.8 | N340 I363 F364 Y385 L481 W485 A488 | N340-Y342 HydrophobicContact CB-CE2 4.42Å; N340-Y342 VanDerWaalsContact O-CD2 3.26Å; N340-Y342 WeakPolarHBondContact O-CD2 3.07Å; Y342-I363 CarbonylContact O-C 3.59Å; Y342-I363 VanDerWaalsContact O-CA 3.32Å; Y342-I363 WeakPolarHBondContact O-CA 3.18Å; Y342-F364 PolarHBondContact N-O 3.33Å; Y342-F364 VanDerWaalsContact N-O 3.1Å; Y342-F364 PolarHBondContact O-N 3.26Å; Y342-Y385 HydrophobicContact CD1-CE2 4.07Å; Y342-Y385 AromaticContact CE1-CE2 3.87Å; Y342-Y385 HydrophobicContact CE1-CE2 3.87Å; Y342-Y385 AromaticContact CE1-CZ 3.95Å; Y342-L481 PolarHBondContact OH-O 3.04Å; Y342-L481 VanDerWaalsContact OH-O 3.06Å; Y342-W485 HydrophobicContact CD1-CB 4.1Å; Y342-W485 HydrophobicContact CD1-CE3 4.41Å; Y342-W485 HydrophobicContact CE1-CB 3.92Å; Y342-W485 VanDerWaalsContact CE1-N 3.3Å; Y342-A488 HydrophobicContact CG-CB 4.11Å |
| 343 | V | 98.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.2 | 170.9 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | P345 I363 A378 S382 | V343-P345 WeakPolarHBondContact O-CD 3.22Å; V343-I363 HydrophobicContact CG2-CG1 4.37Å; V343-I363 HydrophobicContact CG2-CG2 4.2Å; V343-A378 HydrophobicContact CG2-CB 3.87Å; V343-S382 WeakPolarHBondContact O-CB 3.28Å |
| 344 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 98.2 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | A346 L350 G361 A362 F364 W485 A488 V489 T492 | V344-A346 HydrophobicContact CG1-CB 4.41Å; V344-A346 PolarHBondContact O-N 3.11Å; V344-L350 HydrophobicContact CG1-CD2 4.09Å; V344-G361 VanDerWaalsContact O-CA 3.27Å; V344-G361 WeakPolarHBondContact O-CA 3.36Å; V344-A362 PolarHBondContact N-O 3.36Å; V344-A362 PolarHBondContact O-N 3.09Å; V344-F364 HydrophobicContact CG2-CE2 4.39Å; V344-W485 HydrophobicContact CB-CZ3 4.46Å; V344-W485 HydrophobicContact CG1-CH2 4.3Å; V344-W485 HydrophobicContact CG2-CE3 4.47Å; V344-W485 HydrophobicContact CG2-CH2 4.31Å; V344-W485 HydrophobicContact CG2-CZ3 3.86Å; V344-A488 HydrophobicContact CG2-CB 3.99Å; V344-V489 HydrophobicContact CG1-CG2 4.32Å; V344-V489 HydrophobicContact CG2-CG2 4.28Å; V344-T492 HydrophobicContact CB-CG2 4.43Å; V344-T492 HydrophobicContact CG1-CG2 3.98Å |
| 345 | P | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -83.6 | 49.1 | -168.3 | 36.8 | -39.4 | 0 | 0 | 0 | 113 | V307 A311 V343 F347 | V307-P345 HydrophobicContact CB-CB 4.5Å; V307-P345 WeakPolarHBondContact CB-O 3.48Å; V307-P345 HydrophobicContact CG1-CB 3.8Å; V307-P345 HydrophobicContact CG1-CG 4.28Å; V307-P345 VanDerWaalsContact CG1-O 3.28Å; V307-P345 WeakPolarHBondContact CG1-O 3.44Å; V307-P345 WeakPolarHBondContact CG2-O 3.39Å; A311-P345 HydrophobicContact CB-CB 4.04Å; V343-P345 WeakPolarHBondContact O-CD 3.22Å; P345-F347 HydrophobicContact CB-CE1 4.4Å; P345-F347 HydrophobicContact CB-CE2 4.33Å; P345-F347 HydrophobicContact CB-CZ 4.06Å; P345-F347 PolarHBondContact O-N 3.33Å | ||
| 346 | A | 95.3 | Very high | 95 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | trans | -76 | 45.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | V344 T348 G349 L350 A359 R360 G361 | V344-A346 HydrophobicContact CG1-CB 4.41Å; V344-A346 PolarHBondContact O-N 3.11Å; A346-T348 PolarHBondContact O-N 2.97Å; A346-T348 VanDerWaalsContact O-N 3.14Å; A346-G349 PolarHBondContact O-N 2.81Å; A346-G349 VanDerWaalsContact O-N 3.11Å; A346-L350 HydrophobicContact CB-CD2 3.69Å; A346-L350 HydrophobicContact CB-CG 3.71Å; A346-A359 HydrophobicContact CB-CB 4.21Å; A346-R360 CarbonylContact O-C 3.59Å; A346-R360 WeakPolarHBondContact O-CA 3.48Å; A346-G361 PolarHBondContact O-N 2.9Å | ||
| 347 | F | 90.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 25.8 Ų | 25.8 | 29% | 0.285 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.6 | -171.1 | -54.9 | -35.1 | 0 | 0 | 0 | 113.9 | V307 A311 W314 P345 | V307-F347 HydrophobicContact CG1-CD2 3.65Å; V307-F347 HydrophobicContact CG1-CE2 3.79Å; V307-F347 HydrophobicContact CG2-CB 4.28Å; V307-F347 HydrophobicContact CG2-CD2 4.19Å; A311-F347 HydrophobicContact CB-CE2 4.48Å; W314-F347 HydrophobicContact CB-CE2 3.88Å; W314-F347 HydrophobicContact CB-CZ 4.22Å; W314-F347 HydrophobicContact CD2-CE1 4.33Å; W314-F347 HydrophobicContact CD2-CE2 4.16Å; W314-F347 AromaticContact CD2-CZ 3.57Å; W314-F347 HydrophobicContact CD2-CZ 3.57Å; W314-F347 HydrophobicContact CE3-CE1 4.49Å; W314-F347 HydrophobicContact CE3-CE2 4.36Å; W314-F347 AromaticContact CE3-CZ 3.62Å; W314-F347 HydrophobicContact CE3-CZ 3.62Å; W314-F347 AromaticContact CG-CE2 3.96Å; W314-F347 HydrophobicContact CG-CE2 3.96Å; W314-F347 AromaticContact CG-CZ 3.85Å; W314-F347 HydrophobicContact CG-CZ 3.85Å; W314-F347 HydrophobicContact CZ3-CZ 4.12Å; P345-F347 HydrophobicContact CB-CE1 4.4Å; P345-F347 HydrophobicContact CB-CE2 4.33Å; P345-F347 HydrophobicContact CB-CZ 4.06Å; P345-F347 PolarHBondContact O-N 3.33Å |
| 348 | T | 85.8 | Confident | 94.3 | Very high | 41 Ų | 41 | 27.5 Ų | 27.5 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 28.3 | 179.7 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | K105 A346 | K105-T348 VanDerWaalsContact CE-O 3.23Å; K105-T348 WeakPolarHBondContact CE-O 3.46Å; A346-T348 PolarHBondContact O-N 2.97Å; A346-T348 VanDerWaalsContact O-N 3.14Å |
| 349 | G | 91.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | trans | 91.8 | 172.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A346 D356 A359 | A346-G349 PolarHBondContact O-N 2.81Å; A346-G349 VanDerWaalsContact O-N 3.11Å; G349-D356 CarbonylContact C-O 3.42Å; G349-D356 VanDerWaalsContact CA-O 3.26Å; G349-D356 WeakPolarHBondContact CA-O 3.36Å; G349-A359 WeakPolarHBondContact CA-O 3.39Å; G349-A359 PolarHBondContact N-O 3.11Å | ||
| 350 | L | 94.8 | Very high | 94 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -94.2 | 132.8 | 170.1 | -71.5 | 166.2 | 0 | 0 | 0 | 109.5 | V344 A346 Y354 W355 D356 A359 V489 M493 | V344-L350 HydrophobicContact CG1-CD2 4.09Å; A346-L350 HydrophobicContact CB-CD2 3.69Å; A346-L350 HydrophobicContact CB-CG 3.71Å; L350-Y354 HydrophobicContact CB-CD2 4.18Å; L350-Y354 HydrophobicContact CB-CG 4.35Å; L350-Y354 HydrophobicContact CD1-CD2 4.28Å; L350-Y354 HydrophobicContact CD1-CG 4.23Å; L350-Y354 HydrophobicContact CD2-CD2 4.37Å; L350-W355 WeakPolarHBondContact O-CA 3.23Å; L350-D356 HydrophobicContact CB-CB 4.29Å; L350-D356 PolarHBondContact N-O 2.65Å; L350-D356 PolarHBondContact O-N 3.37Å; L350-A359 HydrophobicContact CB-CB 4.44Å; L350-A359 HydrophobicContact CD1-CB 3.88Å; L350-A359 HydrophobicContact CG-CB 3.89Å; L350-V489 HydrophobicContact CD1-CG1 3.84Å; L350-M493 HydrophobicContact CD1-CG 3.75Å; L350-M493 HydrophobicContact CD1-SD 4.19Å |
| 351 | G | 93.6 | Very high | 94 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | trans | -82.9 | -147.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S304 F306 Y354 W355 | S304-G351 CarbonylContact O-C 3.46Å; S304-G351 WeakPolarHBondContact O-CA 3.33Å; F306-G351 VanDerWaalsContact CE2-CA 3.41Å; G351-Y354 PolarHBondContact O-N 3.06Å; G351-W355 PolarHBondContact O-N 3.32Å | ||
| 352 | A | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 146.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L285 S304 Y354 W355 V390 | L285-A352 HydrophobicContact CD2-CB 4.29Å; S304-A352 PolarHBondContact O-N 2.85Å; A352-Y354 VanDerWaalsContact C-N 3.32Å; A352-W355 HydrophobicContact CB-CZ2 4.27Å; A352-V390 HydrophobicContact CB-CG2 4.18Å |
| 353 | P | 96.4 | Very high | 94 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.1 | 3.3 | -5.8 | 35 | -36.4 | 0 | 0 | 0 | 114 | D389 T393 | P353-D389 HydrophobicContact CG-CB 4.18Å; P353-T393 HydrophobicContact CB-CG2 4.22Å |
| 354 | Y | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -40.5 | -167.3 | -53.1 | -73.4 | 0 | 0 | 0 | 114.8 | L350 G351 A352 D356 D389 Q486 V489 M493 | L350-Y354 HydrophobicContact CB-CD2 4.18Å; L350-Y354 HydrophobicContact CB-CG 4.35Å; L350-Y354 HydrophobicContact CD1-CD2 4.28Å; L350-Y354 HydrophobicContact CD1-CG 4.23Å; L350-Y354 HydrophobicContact CD2-CD2 4.37Å; G351-Y354 PolarHBondContact O-N 3.06Å; A352-Y354 VanDerWaalsContact C-N 3.32Å; Y354-D356 VanDerWaalsContact C-N 3.33Å; Y354-D356 PolarHBondContact O-N 2.87Å; Y354-D389 HydrophobicContact CE2-CB 4.42Å; Y354-D389 WeakPolarHBondContact CE2-OD2 3.47Å; Y354-D389 PolarHBondContact OH-OD2 2.92Å; Y354-Q486 PolarHBondContact OH-NE2 3.32Å; Y354-V489 HydrophobicContact CD1-CG1 3.95Å; Y354-V489 HydrophobicContact CD2-CG1 4.34Å; Y354-V489 HydrophobicContact CE1-CB 4.49Å; Y354-V489 HydrophobicContact CE1-CG1 3.53Å; Y354-V489 HydrophobicContact CE2-CG1 3.95Å; Y354-V489 HydrophobicContact CG-CG1 4.33Å; Y354-M493 HydrophobicContact CD1-CE 4.08Å; Y354-M493 HydrophobicContact CD1-SD 4.01Å; Y354-M493 HydrophobicContact CG-SD 4.39Å |
| 355 | W | 93.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | trans | 51.8 | 45.7 | -178.4 | -65.6 | 97.3 | 0 | 0 | 0 | 114.8 | L130 D132 Y134 F135 G284 L286 F306 L350 G351 A352 | L130-W355 HydrophobicContact CD1-CB 4.41Å; L130-W355 HydrophobicContact CD1-CD2 3.76Å; L130-W355 HydrophobicContact CD1-CG 3.6Å; L130-W355 HydrophobicContact CD1-CZ2 4.45Å; D132-W355 HydrophobicContact CB-CE3 4.33Å; D132-W355 HydrophobicContact CB-CZ3 4.21Å; Y134-W355 HydrophobicContact CD1-CH2 4.06Å; Y134-W355 HydrophobicContact CD1-CZ3 4.2Å; F135-W355 HydrophobicContact CZ-CH2 4.31Å; G284-W355 PolarHBondContact O-NE1 3.42Å; L286-W355 HydrophobicContact CD1-CH2 3.98Å; L286-W355 HydrophobicContact CD1-CZ2 4.04Å; L286-W355 HydrophobicContact CD2-CH2 3.97Å; L286-W355 HydrophobicContact CD2-CZ2 3.63Å; L286-W355 HydrophobicContact CG-CH2 4.23Å; L286-W355 HydrophobicContact CG-CZ2 3.82Å; F306-W355 HydrophobicContact CZ-CH2 4.46Å; F306-W355 AromaticContact CZ-CZ3 3.99Å; F306-W355 HydrophobicContact CZ-CZ3 3.99Å; L350-W355 WeakPolarHBondContact O-CA 3.23Å; G351-W355 PolarHBondContact O-N 3.32Å; A352-W355 HydrophobicContact CB-CZ2 4.27Å | ||
| 356 | D | 92.4 | Very high | 94 | Very high | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -105.1 | 94.5 | -178.4 | -171.8 | -20.6 | 0 | 0 | 0 | 111.2 | G349 L350 Y354 Q358 A359 M493 K496 | G349-D356 CarbonylContact C-O 3.42Å; G349-D356 VanDerWaalsContact CA-O 3.26Å; G349-D356 WeakPolarHBondContact CA-O 3.36Å; L350-D356 HydrophobicContact CB-CB 4.29Å; L350-D356 PolarHBondContact N-O 2.65Å; L350-D356 PolarHBondContact O-N 3.37Å; Y354-D356 VanDerWaalsContact C-N 3.33Å; Y354-D356 PolarHBondContact O-N 2.87Å; D356-Q358 PolarHBondContact O-N 2.63Å; D356-Q358 PolarHBondContact OD1-N 3.38Å; D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.09Å; D356-M493 HydrophobicContact CB-CG 4.48Å; D356-M493 HydrophobicContact CB-SD 4.4Å; D356-M493 VanDerWaalsContact OD2-CG 3.3Å; D356-M493 WeakPolarHBondContact OD2-CG 3.31Å; D356-K496 IonicContact OD1-NZ 3.49Å; D356-K496 PolarHBondContact OD1-NZ 3.41Å; D356-K496 IonicContact OD2-NZ 3.35Å; D356-K496 PolarHBondContact OD2-NZ 3.15Å |
| 357 | Q | 87.3 | Confident | 94.1 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.4 | 180 | -59.9 | -176.7 | 41.8 | 0 | 0 | 113.5 | S108 D132 S133 R360 | S108-Q357 PolarHBondContact OG-OE1 3.4Å; D132-Q357 WeakPolarHBondContact OD2-CG 3.39Å; D132-Q357 PolarHBondContact OD2-NE2 2.88Å; S133-Q357 PolarHBondContact OG-OE1 2.81Å; Q357-R360 PolarHBondContact O-NH1 3.24Å |
| 358 | Q | 89.3 | Confident | 94.5 | Very high | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -16.4 | -177.2 | -61.3 | -171.6 | 18.5 | 0 | 0 | 113 | D356 R360 K496 | D356-Q358 PolarHBondContact O-N 2.63Å; D356-Q358 PolarHBondContact OD1-N 3.38Å; Q358-R360 PolarHBondContact O-NH1 2.99Å; Q358-K496 HydrophobicContact CB-CD 3.6Å |
| 359 | A | 92.8 | Very high | 95 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -57.3 | 146.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A346 G349 L350 D356 T492 | A346-A359 HydrophobicContact CB-CB 4.21Å; G349-A359 WeakPolarHBondContact CA-O 3.39Å; G349-A359 PolarHBondContact N-O 3.11Å; L350-A359 HydrophobicContact CB-CB 4.44Å; L350-A359 HydrophobicContact CD1-CB 3.88Å; L350-A359 HydrophobicContact CG-CB 3.89Å; D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.09Å; A359-T492 HydrophobicContact CB-CG2 4.41Å | ||
| 360 | R | 92.5 | Very high | 95.4 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | trans | -133.9 | 161.8 | 178.6 | -67 | -63.5 | -179.7 | -90.1 | 0.9 | 110.1 | A346 Q357 Q358 A362 T492 | A346-R360 CarbonylContact O-C 3.59Å; A346-R360 WeakPolarHBondContact O-CA 3.48Å; Q357-R360 PolarHBondContact O-NH1 3.24Å; Q358-R360 PolarHBondContact O-NH1 2.99Å; R360-A362 PolarHBondContact O-N 3.25Å; R360-T492 WeakPolarHBondContact O-CG2 3.42Å | ||
| 361 | G | 95.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | trans | -55.3 | 130 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V344 A346 | V344-G361 VanDerWaalsContact O-CA 3.27Å; V344-G361 WeakPolarHBondContact O-CA 3.36Å; A346-G361 PolarHBondContact O-N 2.9Å | ||
| 362 | A | 98.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V344 R360 F364 T492 | V344-A362 PolarHBondContact N-O 3.36Å; V344-A362 PolarHBondContact O-N 3.09Å; R360-A362 PolarHBondContact O-N 3.25Å; A362-F364 HydrophobicContact CB-CE2 3.56Å; A362-F364 HydrophobicContact CB-CZ 3.83Å; A362-T492 HydrophobicContact CB-CG2 3.96Å |
| 363 | I | 98.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 60 Ų | 60 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.9 | -177 | -48.8 | -177.5 | 0 | 0 | 0 | 109.2 | V341 Y342 V343 L366 F375 | V341-I363 HydrophobicContact CG1-CG2 4.31Å; Y342-I363 CarbonylContact O-C 3.59Å; Y342-I363 VanDerWaalsContact O-CA 3.32Å; Y342-I363 WeakPolarHBondContact O-CA 3.18Å; V343-I363 HydrophobicContact CG2-CG1 4.37Å; V343-I363 HydrophobicContact CG2-CG2 4.2Å; I363-L366 HydrophobicContact CG2-CD1 4.19Å; I363-L366 HydrophobicContact CG2-CD2 3.97Å; I363-L366 HydrophobicContact CG2-CG 4.08Å; I363-F375 HydrophobicContact CD1-CE1 4.44Å; I363-F375 HydrophobicContact CD1-CE2 3.31Å; I363-F375 HydrophobicContact CD1-CZ 3.27Å; I363-F375 HydrophobicContact CG2-CE2 4.34Å |
| 364 | F | 98.7 | Very high | 96 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 165 | -176.5 | -56.6 | -85.7 | 0 | 0 | 0 | 111.4 | V341 Y342 V344 A362 L366 A488 A491 T492 | V341-F364 WeakPolarHBondContact CA-O 3.14Å; Y342-F364 PolarHBondContact N-O 3.33Å; Y342-F364 VanDerWaalsContact N-O 3.1Å; Y342-F364 PolarHBondContact O-N 3.26Å; V344-F364 HydrophobicContact CG2-CE2 4.39Å; A362-F364 HydrophobicContact CB-CE2 3.56Å; A362-F364 HydrophobicContact CB-CZ 3.83Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 2.95Å; F364-A488 HydrophobicContact CD2-CB 3.79Å; F364-A488 HydrophobicContact CE2-CB 4.34Å; F364-A488 WeakPolarHBondContact CE2-O 3.48Å; F364-A488 HydrophobicContact CG-CB 4.42Å; F364-A491 HydrophobicContact CD1-CB 4.48Å; F364-A491 HydrophobicContact CE1-CB 3.71Å; F364-A491 HydrophobicContact CE2-CB 4.45Å; F364-A491 HydrophobicContact CZ-CB 3.69Å; F364-T492 WeakPolarHBondContact CE2-OG1 3.42Å |
| 365 | G | 98 | Very high | 96.1 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | trans | 76.3 | 10.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N340 T367 | N340-G365 WeakPolarHBondContact O-CA 3.3Å; G365-T367 PolarHBondContact O-N 3.36Å | ||
| 366 | L | 98.3 | Very high | 96.3 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | trans | -64.6 | 129.9 | 179.1 | -61.1 | 178.9 | 0 | 0 | 0 | 111.6 | V341 I363 F364 T370 | V341-L366 HydrophobicContact CG1-CD2 3.92Å; V341-L366 HydrophobicContact CG2-CD2 4.29Å; I363-L366 HydrophobicContact CG2-CD1 4.19Å; I363-L366 HydrophobicContact CG2-CD2 3.97Å; I363-L366 HydrophobicContact CG2-CG 4.08Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 2.95Å; L366-T370 HydrophobicContact CD2-CG2 3.81Å | ||
| 367 | T | 98.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | trans | -119.8 | 175.3 | 170.6 | 77.3 | 0 | 0 | 0 | 0 | 110.3 | G365 G369 T370 | G365-T367 PolarHBondContact O-N 3.36Å; T367-G369 PolarHBondContact O-N 3.39Å; T367-G369 PolarHBondContact OG1-N 3.14Å; T367-G369 VanDerWaalsContact OG1-N 3.15Å; T367-T370 PolarHBondContact N-OG1 3.4Å; T367-T370 PolarHBondContact O-N 3.14Å; T367-T370 PolarHBondContact O-OG1 3.16Å | ||
| 368 | R | 97.3 | Very high | 97.1 | Very high | 250 Ų | 250 | 55.9 Ų | 55.9 | 94% | 0.943 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | 174.1 | -172.3 | 54.1 | 177.7 | 156.7 | 1.3 | 112.9 | ||
| 369 | G | 97.5 | Very high | 97.6 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T367 T371 | T367-G369 PolarHBondContact O-N 3.39Å; T367-G369 PolarHBondContact OG1-N 3.14Å; T367-G369 VanDerWaalsContact OG1-N 3.15Å; G369-T371 PolarHBondContact O-N 2.94Å |
| 370 | T | 98.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | trans | -59.9 | 123.5 | -178.5 | -57 | 0 | 0 | 0 | 0 | 111.3 | V341 L366 T367 H374 | V341-T370 HydrophobicContact CG2-CG2 3.76Å; L366-T370 HydrophobicContact CD2-CG2 3.81Å; T367-T370 PolarHBondContact N-OG1 3.4Å; T367-T370 PolarHBondContact O-N 3.14Å; T367-T370 PolarHBondContact O-OG1 3.16Å; T370-H374 HydrophobicContact CG2-CB 4.04Å | ||
| 371 | T | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | trans | -100.2 | 173.2 | 178.3 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | G369 E373 H374 F375 | G369-T371 PolarHBondContact O-N 2.94Å; T371-E373 WeakPolarHBondContact CB-OE2 3.13Å; T371-E373 PolarHBondContact O-N 2.8Å; T371-E373 PolarHBondContact OG1-N 2.67Å; T371-E373 PolarHBondContact OG1-OE2 3.1Å; T371-H374 PolarHBondContact N-ND1 3.4Å; T371-H374 PolarHBondContact O-N 3.09Å; T371-H374 PolarHBondContact OG1-N 3.35Å; T371-H374 PolarHBondContact OG1-ND1 3.16Å; T371-F375 PolarHBondContact O-N 2.92Å | ||
| 372 | K | 97.9 | Very high | 98.2 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 30% | 0.3 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -38.3 | 170.7 | 176.9 | -174.1 | 175.8 | -173.2 | 0 | 111.4 | M321 Y331 F375 I376 | M321-K372 WeakPolarHBondContact O-CE 3.39Å; M321-K372 PolarHBondContact O-NZ 3.41Å; M321-K372 HydrophobicContact SD-CD 4.45Å; M321-K372 HydrophobicContact SD-CG 4.01Å; Y331-K372 HydrophobicContact CE1-CD 4.44Å; Y331-K372 PolarHBondContact OH-NZ 2.7Å; K372-F375 WeakPolarHBondContact O-CB 3.24Å; K372-F375 PolarHBondContact O-N 2.9Å; K372-I376 HydrophobicContact CD-CD1 4.46Å; K372-I376 HydrophobicContact CG-CD1 3.81Å; K372-I376 VanDerWaalsContact O-CG1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.5Å; K372-I376 PolarHBondContact O-N 3.05Å |
| 373 | E | 98.5 | Very high | 98.2 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 178.7 | -68.3 | 67.6 | -158.8 | 0 | 0 | 111.2 | Y331 R334 V335 T371 F375 I376 R377 | Y331-E373 HydrophobicContact CD1-CG 4.22Å; Y331-E373 WeakPolarHBondContact CD1-OE1 3.47Å; Y331-E373 WeakPolarHBondContact O-CG 3.21Å; R334-E373 HydrophobicContact CB-CB 4.5Å; R334-E373 HydrophobicContact CB-CG 3.82Å; V335-E373 HydrophobicContact CB-CB 4.42Å; V335-E373 HydrophobicContact CG1-CB 3.52Å; V335-E373 HydrophobicContact CG1-CG 4.42Å; V335-E373 HydrophobicContact CG2-CB 4.01Å; T371-E373 WeakPolarHBondContact CB-OE2 3.13Å; T371-E373 PolarHBondContact O-N 2.8Å; T371-E373 PolarHBondContact OG1-N 2.67Å; T371-E373 PolarHBondContact OG1-OE2 3.1Å; E373-F375 VanDerWaalsContact C-N 3.31Å; E373-F375 PolarHBondContact O-N 3.35Å; E373-I376 PolarHBondContact O-N 3.16Å; E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 PolarHBondContact O-N 3.27Å |
| 374 | H | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 174.1 | -63 | 143.2 | 0 | 0 | 0 | 111.7 | V335 S337 E339 T370 T371 R377 A378 | V335-H374 VanDerWaalsContact CG1-CD2 3.49Å; V335-H374 WeakPolarHBondContact CG1-CD2 3.43Å; V335-H374 VanDerWaalsContact CG1-NE2 3.31Å; V335-H374 WeakPolarHBondContact CG1-NE2 3.47Å; S337-H374 PolarHBondContact O-CD2 3.1Å; S337-H374 VanDerWaalsContact O-CD2 3.31Å; E339-H374 IonicContact OE1-CE1 3.44Å; E339-H374 IonicContact OE1-NE2 3.05Å; E339-H374 IonicContact OE2-CE1 2.74Å; E339-H374 PolarHBondContact OE2-CE1 3.31Å; E339-H374 IonicContact OE2-ND1 3.4Å; E339-H374 PolarHBondContact OE2-ND1 3.23Å; E339-H374 IonicContact OE2-NE2 3.52Å; T370-H374 HydrophobicContact CG2-CB 4.04Å; T371-H374 PolarHBondContact N-ND1 3.4Å; T371-H374 PolarHBondContact O-N 3.09Å; T371-H374 PolarHBondContact OG1-N 3.35Å; T371-H374 PolarHBondContact OG1-ND1 3.16Å; H374-R377 PolarHBondContact O-N 2.61Å; H374-A378 WeakPolarHBondContact O-CB 3.11Å; H374-A378 PolarHBondContact O-N 3.04Å |
| 375 | F | 98 | Very high | 98.2 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 179.8 | -166.1 | -79.8 | 0 | 0 | 0 | 113 | W314 L315 L319 I363 T371 K372 E373 T379 | W314-F375 HydrophobicContact CH2-CE1 4.12Å; W314-F375 HydrophobicContact CH2-CZ 4.03Å; W314-F375 HydrophobicContact CZ3-CE1 4.05Å; W314-F375 HydrophobicContact CZ3-CZ 4.39Å; L315-F375 HydrophobicContact CD2-CD1 3.89Å; L315-F375 HydrophobicContact CD2-CE1 3.55Å; L319-F375 HydrophobicContact CD1-CE1 3.78Å; L319-F375 HydrophobicContact CD1-CZ 3.88Å; I363-F375 HydrophobicContact CD1-CE1 4.44Å; I363-F375 HydrophobicContact CD1-CE2 3.31Å; I363-F375 HydrophobicContact CD1-CZ 3.27Å; I363-F375 HydrophobicContact CG2-CE2 4.34Å; T371-F375 PolarHBondContact O-N 2.92Å; K372-F375 WeakPolarHBondContact O-CB 3.24Å; K372-F375 PolarHBondContact O-N 2.9Å; E373-F375 VanDerWaalsContact C-N 3.31Å; E373-F375 PolarHBondContact O-N 3.35Å; F375-T379 PolarHBondContact O-N 3.39Å; F375-T379 VanDerWaalsContact O-N 3.07Å; F375-T379 PolarHBondContact O-OG1 3.42Å |
| 376 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 177.4 | -67.8 | 166.3 | 0 | 0 | 0 | 110 | L315 M321 F322 S328 Y331 A332 K372 E373 T379 L380 | L315-I376 HydrophobicContact CD1-CG1 4.22Å; L315-I376 HydrophobicContact CD1-CG2 4.46Å; M321-I376 HydrophobicContact CB-CD1 4.37Å; F322-I376 HydrophobicContact CD1-CD1 3.87Å; F322-I376 HydrophobicContact CD1-CG1 4.36Å; F322-I376 HydrophobicContact CE1-CD1 4.2Å; F322-I376 HydrophobicContact CE1-CG1 4.19Å; F322-I376 HydrophobicContact CE1-CG2 4.28Å; S328-I376 VanDerWaalsContact O-CG2 3.31Å; S328-I376 WeakPolarHBondContact O-CG2 3.4Å; Y331-I376 HydrophobicContact CD1-CD1 4.37Å; Y331-I376 HydrophobicContact CD2-CD1 3.93Å; Y331-I376 HydrophobicContact CG-CD1 3.7Å; A332-I376 HydrophobicContact CB-CG2 4.44Å; K372-I376 HydrophobicContact CD-CD1 4.46Å; K372-I376 HydrophobicContact CG-CD1 3.81Å; K372-I376 VanDerWaalsContact O-CG1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.5Å; K372-I376 PolarHBondContact O-N 3.05Å; E373-I376 PolarHBondContact O-N 3.16Å; I376-T379 WeakPolarHBondContact O-CB 3.16Å; I376-T379 PolarHBondContact O-N 3.16Å; I376-L380 PolarHBondContact O-N 3.25Å |
| 377 | R | 98.4 | Very high | 98.2 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -49 | 176.7 | -179.2 | 142.4 | -177 | 171.2 | -2 | 111.9 | A332 V335 D336 E373 H374 T379 L380 E381 | A332-R377 HydrophobicContact CB-CB 3.91Å; A332-R377 HydrophobicContact CB-CG 4.37Å; A332-R377 WeakPolarHBondContact O-CD 3.48Å; V335-R377 HydrophobicContact CG2-CB 4.23Å; V335-R377 PolarHBondContact O-NH1 3.48Å; D336-R377 PolarHBondContact O-NH1 3.04Å; D336-R377 PolarHBondContact O-NH2 3.06Å; E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 PolarHBondContact O-N 3.27Å; H374-R377 PolarHBondContact O-N 2.61Å; R377-T379 PolarHBondContact O-N 2.58Å; R377-L380 PolarHBondContact O-N 3.25Å; R377-E381 HydrophobicContact CG-CG 4.17Å; R377-E381 WeakPolarHBondContact CG-OE1 3.39Å; R377-E381 IonicContact CZ-OE1 3.67Å; R377-E381 IonicContact NE-OE1 3.7Å; R377-E381 PolarHBondContact NE-OE1 3.24Å; R377-E381 IonicContact NH2-OE1 2.77Å; R377-E381 WeakPolarHBondContact O-CG 3.23Å; R377-E381 PolarHBondContact O-N 2.97Å |
| 378 | A | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.4 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V341 V343 H374 S382 | V341-A378 HydrophobicContact CB-CB 4.11Å; V341-A378 HydrophobicContact CG1-CB 3.83Å; V341-A378 WeakPolarHBondContact O-CB 3.22Å; V343-A378 HydrophobicContact CG2-CB 3.87Å; H374-A378 WeakPolarHBondContact O-CB 3.11Å; H374-A378 PolarHBondContact O-N 3.04Å; A378-S382 WeakPolarHBondContact O-CB 3.21Å; A378-S382 PolarHBondContact O-N 2.93Å |
| 379 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | A311 I312 L315 F375 I376 R377 S382 L383 | A311-T379 HydrophobicContact CB-CG2 3.79Å; I312-T379 HydrophobicContact CD1-CG2 4.09Å; L315-T379 HydrophobicContact CD1-CG2 3.76Å; L315-T379 HydrophobicContact CG-CG2 4.16Å; F375-T379 PolarHBondContact O-N 3.39Å; F375-T379 VanDerWaalsContact O-N 3.07Å; F375-T379 PolarHBondContact O-OG1 3.42Å; I376-T379 WeakPolarHBondContact O-CB 3.16Å; I376-T379 PolarHBondContact O-N 3.16Å; R377-T379 PolarHBondContact O-N 2.58Å; T379-S382 WeakPolarHBondContact O-CB 3.23Å; T379-S382 PolarHBondContact O-N 2.91Å; T379-S382 PolarHBondContact O-OG 3.48Å; T379-L383 WeakPolarHBondContact O-CD1 3.42Å |
| 380 | L | 98 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.9 | -75.6 | 167.7 | 0 | 0 | 0 | 111.8 | I312 A332 I376 R377 S382 L383 N414 L416 L417 | I312-L380 HydrophobicContact CD1-CD2 3.55Å; I312-L380 HydrophobicContact CD1-CG 3.96Å; I312-L380 HydrophobicContact CG1-CD2 4.18Å; A332-L380 HydrophobicContact CB-CD1 3.66Å; I376-L380 PolarHBondContact O-N 3.25Å; R377-L380 PolarHBondContact O-N 3.25Å; L380-S382 PolarHBondContact O-N 2.8Å; L380-L383 WeakPolarHBondContact O-CB 3.37Å; L380-L383 PolarHBondContact O-N 2.91Å; L380-L383 VanDerWaalsContact O-N 3.09Å; L380-N414 WeakPolarHBondContact CD1-ND2 3.42Å; L380-N414 WeakPolarHBondContact CD2-ND2 3.4Å; L380-L416 HydrophobicContact CD1-CD2 4.41Å; L380-L417 WeakPolarHBondContact O-CD1 3.18Å |
| 381 | E | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.8 | -33.4 | 178.2 | -68.5 | 175.1 | -179.9 | 0 | 0 | 111.5 | S338 R377 L383 A384 Y385 F420 | S338-E381 WeakPolarHBondContact CB-OE2 3.4Å; S338-E381 PolarHBondContact OG-OE2 2.72Å; R377-E381 HydrophobicContact CG-CG 4.17Å; R377-E381 WeakPolarHBondContact CG-OE1 3.39Å; R377-E381 IonicContact CZ-OE1 3.67Å; R377-E381 IonicContact NE-OE1 3.7Å; R377-E381 PolarHBondContact NE-OE1 3.24Å; R377-E381 IonicContact NH2-OE1 2.77Å; R377-E381 WeakPolarHBondContact O-CG 3.23Å; R377-E381 PolarHBondContact O-N 2.97Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 3.45Å; E381-A384 WeakPolarHBondContact O-CA 3.43Å; E381-A384 WeakPolarHBondContact O-CB 3.38Å; E381-A384 PolarHBondContact O-N 2.82Å; E381-Y385 HydrophobicContact CB-CD2 4.26Å; E381-Y385 HydrophobicContact CB-CE2 3.79Å; E381-Y385 WeakPolarHBondContact O-CD2 3.42Å; E381-Y385 PolarHBondContact O-N 3.39Å; E381-F420 HydrophobicContact CB-CD1 4.11Å; E381-F420 HydrophobicContact CB-CE1 3.61Å; E381-F420 HydrophobicContact CB-CZ 4.03Å; E381-F420 HydrophobicContact CG-CD1 3.83Å; E381-F420 HydrophobicContact CG-CD2 4.32Å; E381-F420 HydrophobicContact CG-CE1 3.63Å; E381-F420 HydrophobicContact CG-CE2 4.12Å; E381-F420 HydrophobicContact CG-CG 4.18Å; E381-F420 HydrophobicContact CG-CZ 3.78Å |
| 382 | S | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.8 | -29.9 | 175.2 | 81.7 | 0 | 0 | 0 | 0 | 114.8 | V343 A378 T379 L380 A384 Q386 | V343-S382 WeakPolarHBondContact O-CB 3.28Å; A378-S382 WeakPolarHBondContact O-CB 3.21Å; A378-S382 PolarHBondContact O-N 2.93Å; T379-S382 WeakPolarHBondContact O-CB 3.23Å; T379-S382 PolarHBondContact O-N 2.91Å; T379-S382 PolarHBondContact O-OG 3.48Å; L380-S382 PolarHBondContact O-N 2.8Å; S382-A384 VanDerWaalsContact C-N 3.31Å; S382-Q386 WeakPolarHBondContact O-CG 3.36Å; S382-Q386 PolarHBondContact O-N 2.85Å; S382-Q386 VanDerWaalsContact O-N 3.12Å; S382-Q386 PolarHBondContact O-NE2 3.38Å |
| 383 | L | 97.9 | Very high | 98 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.2 | -81.7 | 62.3 | 0 | 0 | 0 | 110 | A308 A311 T379 L380 E381 T387 L417 | A308-L383 HydrophobicContact CB-CD2 4.02Å; A308-L383 HydrophobicContact CB-CG 3.95Å; A311-L383 HydrophobicContact CB-CD1 4.32Å; T379-L383 WeakPolarHBondContact O-CD1 3.42Å; L380-L383 WeakPolarHBondContact O-CB 3.37Å; L380-L383 PolarHBondContact O-N 2.91Å; L380-L383 VanDerWaalsContact O-N 3.09Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 3.45Å; L383-T387 WeakPolarHBondContact O-CB 3.42Å; L383-T387 PolarHBondContact O-N 3.14Å; L383-T387 VanDerWaalsContact O-N 3.14Å; L383-T387 PolarHBondContact O-OG1 3.24Å; L383-L417 HydrophobicContact CB-CD1 4.01Å; L383-L417 HydrophobicContact CD2-CD2 4.14Å |
| 384 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -73.2 | -39.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E381 S382 T387 A388 L417 F420 Q421 I424 | E381-A384 WeakPolarHBondContact O-CA 3.43Å; E381-A384 WeakPolarHBondContact O-CB 3.38Å; E381-A384 PolarHBondContact O-N 2.82Å; S382-A384 VanDerWaalsContact C-N 3.31Å; A384-T387 PolarHBondContact O-N 3.38Å; A384-A388 WeakPolarHBondContact O-CB 3.19Å; A384-A388 PolarHBondContact O-N 2.98Å; A384-L417 HydrophobicContact CB-CD1 4.19Å; A384-F420 HydrophobicContact CB-CD1 3.56Å; A384-F420 HydrophobicContact CB-CE1 3.97Å; A384-Q421 HydrophobicContact CB-CB 4.31Å; A384-Q421 PolarHBondContact O-NE2 3.23Å; A384-I424 HydrophobicContact CB-CG2 4.17Å |
| 385 | Y | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.9 | -67.7 | -55.6 | 0 | 0 | 0 | 112.6 | Y342 E381 T387 A388 D389 F420 I424 L481 Y482 W485 | Y342-Y385 HydrophobicContact CD1-CE2 4.07Å; Y342-Y385 AromaticContact CE1-CE2 3.87Å; Y342-Y385 HydrophobicContact CE1-CE2 3.87Å; Y342-Y385 AromaticContact CE1-CZ 3.95Å; E381-Y385 HydrophobicContact CB-CD2 4.26Å; E381-Y385 HydrophobicContact CB-CE2 3.79Å; E381-Y385 WeakPolarHBondContact O-CD2 3.42Å; E381-Y385 PolarHBondContact O-N 3.39Å; Y385-T387 VanDerWaalsContact C-N 3.28Å; Y385-T387 PolarHBondContact O-N 3.02Å; Y385-A388 WeakPolarHBondContact O-CA 3.48Å; Y385-A388 WeakPolarHBondContact O-CB 3.45Å; Y385-A388 PolarHBondContact O-N 2.94Å; Y385-D389 PolarHBondContact O-N 2.92Å; Y385-F420 HydrophobicContact CE1-CE1 4.19Å; Y385-F420 HydrophobicContact CE1-CZ 4.02Å; Y385-F420 HydrophobicContact CE2-CE1 4.31Å; Y385-F420 HydrophobicContact CE2-CZ 4.33Å; Y385-F420 AromaticContact CZ-CZ 3.72Å; Y385-I424 HydrophobicContact CD1-CD1 4.05Å; Y385-I424 HydrophobicContact CD1-CG1 3.79Å; Y385-I424 HydrophobicContact CE1-CD1 3.63Å; Y385-I424 HydrophobicContact CE1-CG1 3.85Å; Y385-L481 HydrophobicContact CE1-CB 4.33Å; Y385-L481 WeakPolarHBondContact OH-CB 3.13Å; Y385-Y482 HydrophobicContact CD1-CD2 4.18Å; Y385-W485 VanDerWaalsContact CB-CE2 3.44Å; Y385-W485 HydrophobicContact CD1-CB 3.83Å; Y385-W485 AromaticContact CD1-CG 3.96Å; Y385-W485 HydrophobicContact CD1-CG 3.96Å; Y385-W485 HydrophobicContact CD2-CB 4.07Å; Y385-W485 AromaticContact CD2-CD2 3.94Å; Y385-W485 HydrophobicContact CD2-CD2 3.94Å; Y385-W485 AromaticContact CD2-CE3 3.73Å; Y385-W485 HydrophobicContact CD2-CE3 3.73Å; Y385-W485 HydrophobicContact CD2-CG 4.08Å; Y385-W485 HydrophobicContact CD2-CZ3 4.48Å; Y385-W485 HydrophobicContact CE1-CB 4.11Å; Y385-W485 HydrophobicContact CE2-CB 4.35Å; Y385-W485 HydrophobicContact CG-CB 3.83Å; Y385-W485 AromaticContact CG-CD2 3.73Å; Y385-W485 HydrophobicContact CG-CD2 3.73Å; Y385-W485 HydrophobicContact CG-CE3 4.01Å; Y385-W485 AromaticContact CG-CG 3.62Å; Y385-W485 HydrophobicContact CG-CG 3.62Å |
| 386 | Q | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 5% | 0.051 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.9 | -38.8 | 175.8 | -72.9 | 177.4 | 104.9 | 0 | 0 | 111.8 | V305 V307 S382 A388 D389 V390 W485 | V305-Q386 HydrophobicContact CG1-CB 3.76Å; V305-Q386 HydrophobicContact CG1-CG 4.22Å; V305-Q386 HydrophobicContact CG2-CB 3.99Å; V307-Q386 PolarHBondContact O-NE2 3.36Å; S382-Q386 WeakPolarHBondContact O-CG 3.36Å; S382-Q386 PolarHBondContact O-N 2.85Å; S382-Q386 VanDerWaalsContact O-N 3.12Å; S382-Q386 PolarHBondContact O-NE2 3.38Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; Q386-D389 PolarHBondContact O-N 2.82Å; Q386-V390 PolarHBondContact O-N 3.28Å; Q386-W485 HydrophobicContact CB-CZ2 4.42Å; Q386-W485 HydrophobicContact CG-CH2 3.57Å; Q386-W485 HydrophobicContact CG-CZ2 3.44Å; Q386-W485 VanDerWaalsContact CG-CZ2 3.44Å |
| 387 | T | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 111 | N262 Y264 I270 L383 A384 Y385 D389 V390 V391 L405 Q421 | N262-T387 WeakPolarHBondContact ND2-CG2 3.44Å; N262-T387 PolarHBondContact ND2-OG1 3Å; N262-T387 VanDerWaalsContact ND2-OG1 3.15Å; Y264-T387 PolarHBondContact OH-OG1 2.81Å; I270-T387 HydrophobicContact CD1-CG2 4.3Å; I270-T387 HydrophobicContact CG1-CG2 4.05Å; L383-T387 WeakPolarHBondContact O-CB 3.42Å; L383-T387 PolarHBondContact O-N 3.14Å; L383-T387 VanDerWaalsContact O-N 3.14Å; L383-T387 PolarHBondContact O-OG1 3.24Å; A384-T387 PolarHBondContact O-N 3.38Å; Y385-T387 VanDerWaalsContact C-N 3.28Å; Y385-T387 PolarHBondContact O-N 3.02Å; T387-D389 VanDerWaalsContact C-N 3.35Å; T387-D389 PolarHBondContact O-N 3.1Å; T387-V390 PolarHBondContact O-N 3.49Å; T387-V391 HydrophobicContact CG2-CG2 4.02Å; T387-V391 WeakPolarHBondContact O-CB 3.44Å; T387-V391 VanDerWaalsContact O-CG2 3.29Å; T387-V391 WeakPolarHBondContact O-CG2 3.43Å; T387-V391 PolarHBondContact O-N 2.91Å; T387-L405 HydrophobicContact CG2-CD2 4.06Å; T387-Q421 PolarHBondContact OG1-OE1 2.85Å |
| 388 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A384 Y385 Q386 V390 V391 K392 I424 L425 Y482 | A384-A388 WeakPolarHBondContact O-CB 3.19Å; A384-A388 PolarHBondContact O-N 2.98Å; Y385-A388 WeakPolarHBondContact O-CA 3.48Å; Y385-A388 WeakPolarHBondContact O-CB 3.45Å; Y385-A388 PolarHBondContact O-N 2.94Å; Q386-A388 VanDerWaalsContact C-N 3.33Å; A388-V390 VanDerWaalsContact C-N 3.31Å; A388-V390 PolarHBondContact O-N 3.21Å; A388-V391 PolarHBondContact O-N 3.41Å; A388-K392 VanDerWaalsContact O-CB 3.23Å; A388-K392 WeakPolarHBondContact O-CB 3.5Å; A388-K392 WeakPolarHBondContact O-CG 3.38Å; A388-K392 PolarHBondContact O-N 3.41Å; A388-I424 HydrophobicContact CB-CG1 4.4Å; A388-I424 HydrophobicContact CB-CG2 4.15Å; A388-L425 HydrophobicContact CB-CD2 3.9Å; A388-Y482 HydrophobicContact CB-CE2 4.08Å |
| 389 | D | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 174.1 | -61.6 | -25.8 | 0 | 0 | 0 | 111.3 | P353 Y354 Y385 Q386 T387 T393 Y482 W485 Q486 | P353-D389 HydrophobicContact CG-CB 4.18Å; Y354-D389 HydrophobicContact CE2-CB 4.42Å; Y354-D389 WeakPolarHBondContact CE2-OD2 3.47Å; Y354-D389 PolarHBondContact OH-OD2 2.92Å; Y385-D389 PolarHBondContact O-N 2.92Å; Q386-D389 PolarHBondContact O-N 2.82Å; T387-D389 VanDerWaalsContact C-N 3.35Å; T387-D389 PolarHBondContact O-N 3.1Å; D389-T393 WeakPolarHBondContact O-CB 3.42Å; D389-T393 PolarHBondContact O-N 2.6Å; D389-T393 PolarHBondContact O-OG1 3.48Å; D389-Y482 WeakPolarHBondContact OD1-CE2 3.33Å; D389-Y482 VanDerWaalsContact OD1-CZ 3.22Å; D389-Y482 PolarHBondContact OD1-OH 3.19Å; D389-W485 PolarHBondContact OD1-NE1 3.31Å; D389-W485 PolarHBondContact OD2-NE1 3.34Å; D389-Q486 PolarHBondContact OD1-NE2 3.21Å |
| 390 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.8 | -47.5 | -179.9 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | I270 L285 V305 A352 Q386 T387 A388 T393 M394 | I270-V390 HydrophobicContact CB-CG1 3.67Å; I270-V390 HydrophobicContact CD1-CB 3.96Å; I270-V390 HydrophobicContact CD1-CG1 3.84Å; I270-V390 HydrophobicContact CD1-CG2 4.24Å; I270-V390 HydrophobicContact CG1-CB 4.18Å; I270-V390 HydrophobicContact CG1-CG1 3.77Å; I270-V390 HydrophobicContact CG2-CG1 4.24Å; L285-V390 HydrophobicContact CD2-CG1 4.08Å; V305-V390 HydrophobicContact CG2-CG2 4.01Å; A352-V390 HydrophobicContact CB-CG2 4.18Å; Q386-V390 PolarHBondContact O-N 3.28Å; T387-V390 PolarHBondContact O-N 3.49Å; A388-V390 VanDerWaalsContact C-N 3.31Å; A388-V390 PolarHBondContact O-N 3.21Å; V390-T393 CarbonylContact O-C 3.52Å; V390-T393 WeakPolarHBondContact O-CB 3.47Å; V390-T393 PolarHBondContact O-N 3.3Å; V390-M394 HydrophobicContact CG1-CE 4.02Å; V390-M394 HydrophobicContact CG1-CG 4.47Å; V390-M394 HydrophobicContact CG1-SD 4.45Å; V390-M394 WeakPolarHBondContact O-CG 3.24Å; V390-M394 PolarHBondContact O-N 3.23Å |
| 391 | V | 97 | Very high | 96 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | -178.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | I270 T387 A388 T393 M394 N395 I402 L405 L425 | I270-V391 HydrophobicContact CG1-CG2 4.39Å; I270-V391 HydrophobicContact CG2-CG2 4.1Å; T387-V391 HydrophobicContact CG2-CG2 4.02Å; T387-V391 WeakPolarHBondContact O-CB 3.44Å; T387-V391 VanDerWaalsContact O-CG2 3.29Å; T387-V391 WeakPolarHBondContact O-CG2 3.43Å; T387-V391 PolarHBondContact O-N 2.91Å; A388-V391 PolarHBondContact O-N 3.41Å; V391-T393 VanDerWaalsContact C-N 3.3Å; V391-T393 PolarHBondContact O-N 2.84Å; V391-M394 WeakPolarHBondContact O-CB 3.44Å; V391-M394 PolarHBondContact O-N 2.9Å; V391-N395 PolarHBondContact O-N 2.98Å; V391-I402 HydrophobicContact CG1-CD1 3.79Å; V391-L405 HydrophobicContact CG2-CD2 4.45Å; V391-L425 HydrophobicContact CB-CD2 3.73Å; V391-L425 HydrophobicContact CG1-CD1 4.45Å; V391-L425 HydrophobicContact CG1-CD2 3.67Å; V391-L425 HydrophobicContact CG2-CD1 4.43Å; V391-L425 HydrophobicContact CG2-CD2 4.29Å |
| 392 | K | 95.7 | Very high | 95.8 | Very high | 70 Ų | 70 | 27.2 Ų | 27.2 | 30% | 0.304 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 174.4 | -71 | 176.6 | -177.3 | -176.1 | 0 | 111.2 | A388 N395 K396 Y482 | A388-K392 VanDerWaalsContact O-CB 3.23Å; A388-K392 WeakPolarHBondContact O-CB 3.5Å; A388-K392 WeakPolarHBondContact O-CG 3.38Å; A388-K392 PolarHBondContact O-N 3.41Å; K392-N395 PolarHBondContact O-N 2.98Å; K392-K396 PolarHBondContact O-N 3.07Å; K392-Y482 HydrophobicContact CD-CE1 3.85Å; K392-Y482 HydrophobicContact CD-CE2 4.47Å |
| 393 | T | 96.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 173.5 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | N283 L285 P353 D389 V390 V391 K396 D397 | N283-T393 HydrophobicContact CB-CG2 3.54Å; N283-T393 WeakPolarHBondContact O-CG2 3.19Å; L285-T393 HydrophobicContact CD1-CG2 3.99Å; L285-T393 HydrophobicContact CD2-CG2 4.03Å; L285-T393 HydrophobicContact CG-CG2 3.71Å; P353-T393 HydrophobicContact CB-CG2 4.22Å; D389-T393 WeakPolarHBondContact O-CB 3.42Å; D389-T393 PolarHBondContact O-N 2.6Å; D389-T393 PolarHBondContact O-OG1 3.48Å; V390-T393 CarbonylContact O-C 3.52Å; V390-T393 WeakPolarHBondContact O-CB 3.47Å; V390-T393 PolarHBondContact O-N 3.3Å; V391-T393 VanDerWaalsContact C-N 3.3Å; V391-T393 PolarHBondContact O-N 2.84Å; T393-K396 WeakPolarHBondContact O-CB 3.45Å; T393-K396 PolarHBondContact O-N 3.2Å; T393-K396 VanDerWaalsContact O-N 3.15Å; T393-D397 PolarHBondContact O-N 3.32Å |
| 394 | M | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.6 | -79.6 | -174 | 176.4 | 0 | 0 | 112.4 | V260 I270 M272 L285 L301 V390 V391 K396 D397 S398 I402 | V260-M394 HydrophobicContact CG1-SD 4.32Å; I270-M394 HydrophobicContact CB-CE 3.92Å; I270-M394 HydrophobicContact CB-SD 4.34Å; I270-M394 HydrophobicContact CG2-CE 3.69Å; I270-M394 HydrophobicContact CG2-SD 3.5Å; I270-M394 VanDerWaalsContact CG2-SD 3.5Å; I270-M394 WeakPolarHBondContact O-CE 3.33Å; M272-M394 HydrophobicContact CB-SD 4.02Å; M272-M394 HydrophobicContact CE-CB 4.23Å; L285-M394 HydrophobicContact CD1-CB 4.08Å; L285-M394 HydrophobicContact CD1-CG 3.35Å; L285-M394 HydrophobicContact CD2-CG 4.47Å; L301-M394 HydrophobicContact CB-CE 4.5Å; L301-M394 VanDerWaalsContact O-CE 3.3Å; L301-M394 WeakPolarHBondContact O-CE 3.41Å; V390-M394 HydrophobicContact CG1-CE 4.02Å; V390-M394 HydrophobicContact CG1-CG 4.47Å; V390-M394 HydrophobicContact CG1-SD 4.45Å; V390-M394 WeakPolarHBondContact O-CG 3.24Å; V390-M394 PolarHBondContact O-N 3.23Å; V391-M394 WeakPolarHBondContact O-CB 3.44Å; V391-M394 PolarHBondContact O-N 2.9Å; M394-K396 VanDerWaalsContact C-N 3.25Å; M394-K396 PolarHBondContact O-N 3.19Å; M394-D397 PolarHBondContact O-N 2.74Å; M394-S398 VanDerWaalsContact O-CB 3.24Å; M394-S398 WeakPolarHBondContact O-CB 3.36Å; M394-S398 PolarHBondContact O-N 3.04Å; M394-S398 PolarHBondContact O-OG 3.14Å; M394-I402 HydrophobicContact CB-CD1 4.04Å |
| 395 | N | 94.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.2 | -43.2 | 173.1 | -81 | -23.2 | 0 | 0 | 0 | 111 | V391 K392 G399 T400 I402 | V391-N395 PolarHBondContact O-N 2.98Å; K392-N395 PolarHBondContact O-N 2.98Å; N395-G399 WeakPolarHBondContact O-CA 3.45Å; N395-G399 PolarHBondContact O-N 3.04Å; N395-G399 VanDerWaalsContact O-N 3.08Å; N395-T400 WeakPolarHBondContact CA-O 3.21Å; N395-T400 PolarHBondContact OD1-O 3.38Å; N395-I402 WeakPolarHBondContact OD1-CB 3.5Å; N395-I402 WeakPolarHBondContact OD1-CD1 3.44Å; N395-I402 WeakPolarHBondContact OD1-CG1 3.47Å; N395-I402 PolarHBondContact OD1-N 3.18Å |
| 396 | K | 94.9 | Very high | 95.5 | Very high | 142 Ų | 142 | 38.6 Ų | 38.6 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66 | -49.9 | 179.3 | -173.1 | -176.6 | 177.6 | -169.5 | 0 | 112.4 | N283 K392 T393 M394 | N283-K396 WeakPolarHBondContact OD1-CE 3.26Å; N283-K396 PolarHBondContact OD1-NZ 3.23Å; K392-K396 PolarHBondContact O-N 3.07Å; T393-K396 WeakPolarHBondContact O-CB 3.45Å; T393-K396 PolarHBondContact O-N 3.2Å; T393-K396 VanDerWaalsContact O-N 3.15Å; M394-K396 VanDerWaalsContact C-N 3.25Å; M394-K396 PolarHBondContact O-N 3.19Å |
| 397 | D | 94.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | -177.5 | -80.4 | -17.4 | 0 | 0 | 0 | 112.6 | I279 S281 E282 N283 L285 L301 T393 M394 | I279-D397 WeakPolarHBondContact CG2-O 3.36Å; S281-D397 VanDerWaalsContact CB-OD2 3.29Å; S281-D397 WeakPolarHBondContact CB-OD2 3.17Å; S281-D397 PolarHBondContact OG-OD2 2.81Å; E282-D397 PolarHBondContact N-OD1 3.24Å; N283-D397 WeakPolarHBondContact CB-OD1 3.38Å; N283-D397 PolarHBondContact ND2-OD1 3.16Å; L285-D397 HydrophobicContact CD1-CB 4.35Å; L285-D397 WeakPolarHBondContact CD1-OD2 3.4Å; L301-D397 HydrophobicContact CD1-CB 4.2Å; T393-D397 PolarHBondContact O-N 3.32Å; M394-D397 PolarHBondContact O-N 2.74Å |
| 398 | S | 93.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.1 | -16.6 | -177.1 | 68 | 0 | 0 | 0 | 0 | 114 | M394 T400 | M394-S398 VanDerWaalsContact O-CB 3.24Å; M394-S398 WeakPolarHBondContact O-CB 3.36Å; M394-S398 PolarHBondContact O-N 3.04Å; M394-S398 PolarHBondContact O-OG 3.14Å; S398-T400 PolarHBondContact O-N 3.27Å; S398-T400 VanDerWaalsContact O-N 3.08Å; S398-T400 PolarHBondContact O-OG1 2.94Å; S398-T400 WeakPolarHBondContact OG-CB 3.39Å; S398-T400 PolarHBondContact OG-N 3.33Å; S398-T400 VanDerWaalsContact OG-N 3.13Å |
| 399 | G | 92.4 | Very high | 94.9 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 75% | 0.753 | 21% | 0.209 | S | C | * | . | trans | 58.7 | 15 | -168 | 0 | 0 | 0 | 0 | 0 | 113.7 | N395 | N395-G399 WeakPolarHBondContact O-CA 3.45Å; N395-G399 PolarHBondContact O-N 3.04Å; N395-G399 VanDerWaalsContact O-N 3.08Å | ||
| 400 | T | 89 | Confident | 94.4 | Very high | 51 Ų | 51 | 41 Ų | 41 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | trans | -106 | 133.5 | -177 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | N395 S398 I402 | N395-T400 WeakPolarHBondContact CA-O 3.21Å; N395-T400 PolarHBondContact OD1-O 3.38Å; S398-T400 PolarHBondContact O-N 3.27Å; S398-T400 VanDerWaalsContact O-N 3.08Å; S398-T400 PolarHBondContact O-OG1 2.94Å; S398-T400 WeakPolarHBondContact OG-CB 3.39Å; S398-T400 PolarHBondContact OG-N 3.33Å; S398-T400 VanDerWaalsContact OG-N 3.13Å; T400-I402 PolarHBondContact O-N 2.82Å | ||
| 401 | D | 91.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | trans | -84.6 | 101.9 | 177.3 | -174.1 | -12.9 | 0 | 0 | 0 | 109.5 | K403 | D401-K403 VanDerWaalsContact CG-CE 3.42Å; D401-K403 PolarHBondContact O-N 3.4Å; D401-K403 VanDerWaalsContact O-N 3.16Å; D401-K403 WeakPolarHBondContact OD1-CE 3.34Å; D401-K403 IonicContact OD1-NZ 2.74Å; D401-K403 PolarHBondContact OD1-NZ 2.99Å; D401-K403 VanDerWaalsContact OD2-CE 3.27Å; D401-K403 WeakPolarHBondContact OD2-CE 3.35Å; D401-K403 IonicContact OD2-NZ 3.67Å; D401-K403 PolarHBondContact OD2-NZ 3.42Å | ||
| 402 | I | 94.3 | Very high | 94 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -65.6 | 112 | -179.4 | -65.3 | 162 | 0 | 0 | 0 | 109.7 | V260 M272 V391 M394 N395 T400 T427 | V260-I402 HydrophobicContact CB-CG2 4.39Å; V260-I402 HydrophobicContact CG2-CD1 3.94Å; V260-I402 HydrophobicContact CG2-CG1 3.81Å; V260-I402 HydrophobicContact CG2-CG2 4.06Å; M272-I402 HydrophobicContact CE-CD1 3.43Å; M272-I402 VanDerWaalsContact CE-CD1 3.43Å; M272-I402 HydrophobicContact CE-CG1 3.43Å; M272-I402 VanDerWaalsContact CE-CG1 3.43Å; V391-I402 HydrophobicContact CG1-CD1 3.79Å; M394-I402 HydrophobicContact CB-CD1 4.04Å; N395-I402 WeakPolarHBondContact OD1-CB 3.5Å; N395-I402 WeakPolarHBondContact OD1-CD1 3.44Å; N395-I402 WeakPolarHBondContact OD1-CG1 3.47Å; N395-I402 PolarHBondContact OD1-N 3.18Å; T400-I402 PolarHBondContact O-N 2.82Å; I402-T427 VanDerWaalsContact O-CG2 3.31Å; I402-T427 WeakPolarHBondContact O-CG2 3.17Å | ||
| 403 | K | 94.4 | Very high | 93.9 | Very high | 139 Ų | 139 | 44.8 Ų | 44.8 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | trans | -92.8 | -12.5 | -177.6 | -62.9 | -49.1 | -172.1 | -172.1 | 0 | 115.6 | D401 P428 | D401-K403 VanDerWaalsContact CG-CE 3.42Å; D401-K403 PolarHBondContact O-N 3.4Å; D401-K403 VanDerWaalsContact O-N 3.16Å; D401-K403 WeakPolarHBondContact OD1-CE 3.34Å; D401-K403 IonicContact OD1-NZ 2.74Å; D401-K403 PolarHBondContact OD1-NZ 2.99Å; D401-K403 VanDerWaalsContact OD2-CE 3.27Å; D401-K403 WeakPolarHBondContact OD2-CE 3.35Å; D401-K403 IonicContact OD2-NZ 3.67Å; D401-K403 PolarHBondContact OD2-NZ 3.42Å; K403-P428 WeakPolarHBondContact O-CD 3.46Å | ||
| 404 | L | 96.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -155.8 | 130 | -177.5 | -179.9 | 65.2 | 0 | 0 | 0 | 108.4 | R406 P428 E430 | L404-R406 HydrophobicContact CD2-CG 4.31Å; L404-R406 HydrophobicContact CG-CG 4.47Å; L404-P428 HydrophobicContact CD1-CB 3.97Å; L404-E430 HydrophobicContact CD1-CB 3.86Å | ||
| 405 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.5 | 167.6 | -179 | 64.8 | 0 | 0 | 0 | 109.3 | V260 N262 T387 V391 V407 Q421 L425 P428 V429 E430 | V260-L405 HydrophobicContact CB-CD1 4.34Å; V260-L405 HydrophobicContact CG1-CD1 3.81Å; N262-L405 HydrophobicContact CB-CD1 4.08Å; N262-L405 HydrophobicContact CB-CD2 4.36Å; N262-L405 HydrophobicContact CB-CG 4.46Å; T387-L405 HydrophobicContact CG2-CD2 4.06Å; V391-L405 HydrophobicContact CG2-CD2 4.45Å; L405-V407 HydrophobicContact CD2-CG1 4.16Å; L405-V407 HydrophobicContact CG-CG1 3.98Å; L405-Q421 HydrophobicContact CD2-CG 4.28Å; L405-L425 HydrophobicContact CD2-CD1 3.6Å; L405-P428 PolarHBondContact N-O 3.17Å; L405-V429 HydrophobicContact CB-CG2 4.37Å; L405-V429 WeakPolarHBondContact O-CA 3.28Å; L405-E430 PolarHBondContact O-N 3.02Å |
| 406 | R | 97.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 141.7 | 169.9 | -70.7 | -173.7 | 171.3 | 163.8 | 6.1 | 110.3 | Q252 V260 K261 N262 L404 E430 | Q252-R406 PolarHBondContact O-NH1 3.32Å; V260-R406 PolarHBondContact O-N 3.47Å; V260-R406 VanDerWaalsContact O-N 3.14Å; K261-R406 CarbonylContact C-O 3.59Å; K261-R406 WeakPolarHBondContact CA-O 3.18Å; K261-R406 HydrophobicContact CB-CB 4.34Å; N262-R406 PolarHBondContact N-O 3.16Å; L404-R406 HydrophobicContact CD2-CG 4.31Å; L404-R406 HydrophobicContact CG-CG 4.47Å; R406-E430 CarbonylContact C-O 3.57Å; R406-E430 WeakPolarHBondContact CA-O 3.46Å; R406-E430 IonicContact CZ-OE1 2.71Å; R406-E430 IonicContact NE-OE1 2.94Å; R406-E430 PolarHBondContact NE-OE1 2.96Å; R406-E430 VanDerWaalsContact NE-OE1 3.13Å; R406-E430 IonicContact NH2-OE1 2.56Å |
| 407 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.9 | -177.2 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | Q252 N262 Y264 L405 L418 V429 E430 R431 A432 | Q252-V407 PolarHBondContact NE2-O 2.8Å; N262-V407 HydrophobicContact CB-CG1 4.38Å; N262-V407 VanDerWaalsContact O-CA 3.27Å; N262-V407 WeakPolarHBondContact O-CA 3.3Å; Y264-V407 HydrophobicContact CD2-CB 4.2Å; Y264-V407 HydrophobicContact CD2-CG1 4.46Å; Y264-V407 HydrophobicContact CE2-CB 3.93Å; Y264-V407 HydrophobicContact CE2-CG1 3.71Å; L405-V407 HydrophobicContact CD2-CG1 4.16Å; L405-V407 HydrophobicContact CG-CG1 3.98Å; V407-L418 HydrophobicContact CB-CD2 4.47Å; V407-L418 HydrophobicContact CG2-CD1 3.83Å; V407-L418 HydrophobicContact CG2-CD2 3.79Å; V407-L418 HydrophobicContact CG2-CG 4.49Å; V407-V429 HydrophobicContact CB-CG1 4.35Å; V407-V429 HydrophobicContact CG1-CG1 3.63Å; V407-V429 HydrophobicContact CG2-CG1 3.72Å; V407-E430 PolarHBondContact N-O 2.86Å; V407-R431 HydrophobicContact CG2-CB 4.01Å; V407-A432 PolarHBondContact O-N 2.8Å |
| 408 | D | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -172.1 | 174.7 | 57.1 | 59.7 | 0 | 0 | 0 | 110.8 | Q252 N262 T263 Y264 A432 T437 | Q252-D408 WeakPolarHBondContact CG-OD2 3.47Å; Q252-D408 PolarHBondContact NE2-OD2 2.72Å; N262-D408 PolarHBondContact O-N 2.92Å; N262-D408 VanDerWaalsContact O-N 3.1Å; T263-D408 WeakPolarHBondContact CA-OD1 3.2Å; T263-D408 WeakPolarHBondContact CB-OD1 3.38Å; T263-D408 WeakPolarHBondContact CG2-OD1 3.27Å; T263-D408 PolarHBondContact OG1-OD1 2.6Å; Y264-D408 PolarHBondContact N-O 2.95Å; D408-A432 HydrophobicContact CB-CB 4.17Å; D408-T437 HydrophobicContact CB-CG2 3.75Å; D408-T437 PolarHBondContact OD1-OG1 2.67Å; D408-T437 PolarHBondContact OD2-OG1 3.03Å |
| 409 | G | 89.2 | Confident | 94.7 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 86.3 | 165.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y264 A411 S412 L435 | Y264-G409 CarbonylContact O-C 3.6Å; Y264-G409 VanDerWaalsContact O-C 3.29Å; G409-A411 PolarHBondContact O-N 3.31Å; G409-S412 WeakPolarHBondContact O-CB 3.39Å; G409-S412 PolarHBondContact O-N 3.47Å; G409-S412 VanDerWaalsContact O-N 3.16Å; G409-S412 PolarHBondContact O-OG 3.38Å; G409-L435 PolarHBondContact N-O 3.21Å |
| 410 | G | 88.3 | Confident | 95 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 54% | 0.536 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -62.4 | -36.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y264 S412 K413 | Y264-G410 PolarHBondContact O-N 3.48Å; Y264-G410 VanDerWaalsContact O-N 3.11Å; G410-S412 VanDerWaalsContact C-N 3.29Å; G410-S412 PolarHBondContact O-N 3.21Å; G410-K413 WeakPolarHBondContact O-CB 3.4Å; G410-K413 WeakPolarHBondContact O-CG 3.49Å; G410-K413 PolarHBondContact O-N 2.95Å |
| 411 | A | 91.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -77.1 | -15.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y264 G409 K413 N414 | Y264-A411 PolarHBondContact O-N 2.77Å; G409-A411 PolarHBondContact O-N 3.31Å; A411-K413 PolarHBondContact O-N 2.99Å; A411-K413 VanDerWaalsContact O-N 3.16Å; A411-N414 WeakPolarHBondContact O-CB 3.43Å; A411-N414 PolarHBondContact O-N 3.25Å |
| 412 | S | 93.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -67.1 | -9.9 | 171.6 | 76.9 | 0 | 0 | 0 | 0 | 113.3 | G409 G410 N414 L418 R431 L435 | G409-S412 WeakPolarHBondContact O-CB 3.39Å; G409-S412 PolarHBondContact O-N 3.47Å; G409-S412 VanDerWaalsContact O-N 3.16Å; G409-S412 PolarHBondContact O-OG 3.38Å; G410-S412 VanDerWaalsContact C-N 3.29Å; G410-S412 PolarHBondContact O-N 3.21Å; S412-N414 PolarHBondContact O-N 3.16Å; S412-L418 WeakPolarHBondContact O-CD1 3.2Å; S412-R431 WeakPolarHBondContact O-CD 3.33Å; S412-R431 PolarHBondContact O-NH1 3.35Å; S412-L435 WeakPolarHBondContact OG-CD2 3.37Å |
| 413 | K | 93.7 | Very high | 95.9 | Very high | 128 Ų | 128 | 29.8 Ų | 29.8 | 56% | 0.557 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -65.9 | -15.4 | 171.5 | -68.8 | -176.1 | 179.2 | 179.6 | 0 | 113.6 | G410 A411 D415 R431 L435 | G410-K413 WeakPolarHBondContact O-CB 3.4Å; G410-K413 WeakPolarHBondContact O-CG 3.49Å; G410-K413 PolarHBondContact O-N 2.95Å; A411-K413 PolarHBondContact O-N 2.99Å; A411-K413 VanDerWaalsContact O-N 3.16Å; K413-D415 PolarHBondContact O-N 3.23Å; K413-R431 PolarHBondContact O-NH1 2.84Å; K413-L435 HydrophobicContact CD-CD1 3.98Å; K413-L435 HydrophobicContact CG-CD1 3.51Å |
| 414 | N | 96.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -84.4 | 109.8 | -179.6 | -176.2 | -37.4 | 0 | 0 | 0 | 110.3 | L380 A411 S412 L416 L417 L418 | L380-N414 WeakPolarHBondContact CD1-ND2 3.42Å; L380-N414 WeakPolarHBondContact CD2-ND2 3.4Å; A411-N414 WeakPolarHBondContact O-CB 3.43Å; A411-N414 PolarHBondContact O-N 3.25Å; S412-N414 PolarHBondContact O-N 3.16Å; N414-L416 VanDerWaalsContact C-N 3.35Å; N414-L416 PolarHBondContact O-N 2.81Å; N414-L416 WeakPolarHBondContact OD1-CB 3.38Å; N414-L416 PolarHBondContact OD1-N 2.79Å; N414-L416 VanDerWaalsContact OD1-N 3.1Å; N414-L417 HydrophobicContact CB-CB 3.93Å; N414-L417 PolarHBondContact O-N 3.4Å; N414-L417 PolarHBondContact OD1-N 3.37Å; N414-L418 PolarHBondContact O-N 3.27Å | ||
| 415 | D | 97.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 22 Ų | 22 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.3 | -31.6 | -175.3 | -68.1 | -21.1 | 0 | 0 | 0 | 112.2 | E329 K413 L418 Q419 R431 Y469 | E329-D415 PolarHBondContact OE1-N 2.92Å; K413-D415 PolarHBondContact O-N 3.23Å; D415-L418 PolarHBondContact O-N 2.79Å; D415-Q419 WeakPolarHBondContact O-CB 3.3Å; D415-Q419 PolarHBondContact O-N 2.56Å; D415-R431 IonicContact OD1-CZ 3.45Å; D415-R431 IonicContact OD1-NH1 3.55Å; D415-R431 PolarHBondContact OD1-NH1 3.47Å; D415-R431 IonicContact OD1-NH2 3.59Å; D415-R431 PolarHBondContact OD1-NH2 2.98Å; D415-Y469 HydrophobicContact CB-CE1 4.18Å; D415-Y469 PolarHBondContact OD1-OH 3.07Å |
| 416 | L | 97.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 9% | 0.094 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.1 | 178.9 | 153.6 | 0 | 0 | 0 | 111 | E329 A332 K333 L380 N414 F420 | E329-L416 HydrophobicContact CG-CB 4.3Å; A332-L416 HydrophobicContact CB-CD1 3.97Å; A332-L416 HydrophobicContact CB-CD2 4.37Å; K333-L416 HydrophobicContact CB-CD1 4.47Å; K333-L416 HydrophobicContact CG-CD1 3.56Å; L380-L416 HydrophobicContact CD1-CD2 4.41Å; N414-L416 VanDerWaalsContact C-N 3.35Å; N414-L416 PolarHBondContact O-N 2.81Å; N414-L416 WeakPolarHBondContact OD1-CB 3.38Å; N414-L416 PolarHBondContact OD1-N 2.79Å; N414-L416 VanDerWaalsContact OD1-N 3.1Å; L416-F420 VanDerWaalsContact O-CB 3.32Å; L416-F420 WeakPolarHBondContact O-CB 3.36Å; L416-F420 PolarHBondContact O-N 3.11Å |
| 417 | L | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 176.6 | 172.2 | 63.6 | 0 | 0 | 0 | 110.8 | Y264 L380 L383 A384 N414 F420 Q421 | Y264-L417 HydrophobicContact CD1-CD2 4.4Å; L380-L417 WeakPolarHBondContact O-CD1 3.18Å; L383-L417 HydrophobicContact CB-CD1 4.01Å; L383-L417 HydrophobicContact CD2-CD2 4.14Å; A384-L417 HydrophobicContact CB-CD1 4.19Å; N414-L417 HydrophobicContact CB-CB 3.93Å; N414-L417 PolarHBondContact O-N 3.4Å; N414-L417 PolarHBondContact OD1-N 3.37Å; L417-F420 PolarHBondContact O-N 3.14Å; L417-Q421 WeakPolarHBondContact O-CB 3.43Å; L417-Q421 PolarHBondContact O-N 2.93Å |
| 418 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.3 | -37 | -176.8 | -66.2 | -165.5 | 0 | 0 | 0 | 113.2 | Y264 V407 S412 N414 D415 Q421 A422 V429 R431 Y469 | Y264-L418 HydrophobicContact CE2-CD2 4.29Å; V407-L418 HydrophobicContact CB-CD2 4.47Å; V407-L418 HydrophobicContact CG2-CD1 3.83Å; V407-L418 HydrophobicContact CG2-CD2 3.79Å; V407-L418 HydrophobicContact CG2-CG 4.49Å; S412-L418 WeakPolarHBondContact O-CD1 3.2Å; N414-L418 PolarHBondContact O-N 3.27Å; D415-L418 PolarHBondContact O-N 2.79Å; L418-Q421 PolarHBondContact O-N 3.24Å; L418-A422 PolarHBondContact O-N 3.45Å; L418-V429 HydrophobicContact CD2-CG1 4.33Å; L418-R431 HydrophobicContact CD1-CB 3.78Å; L418-R431 HydrophobicContact CD1-CG 4.22Å; L418-Y469 HydrophobicContact CB-CD1 4.16Å; L418-Y469 HydrophobicContact CB-CD2 3.88Å; L418-Y469 HydrophobicContact CB-CE1 4.04Å; L418-Y469 HydrophobicContact CB-CE2 3.8Å; L418-Y469 HydrophobicContact CB-CG 4.08Å; L418-Y469 HydrophobicContact CD1-CD2 4.15Å; L418-Y469 HydrophobicContact CD1-CE2 3.5Å; L418-Y469 VanDerWaalsContact CD1-CE2 3.5Å; L418-Y469 HydrophobicContact CG-CE2 4.32Å |
| 419 | Q | 98.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 24.1 Ų | 24.1 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 171.8 | -176.2 | 58.7 | 57.2 | 0 | 0 | 110.7 | D415 Q421 A422 D423 Y469 E470 | D415-Q419 WeakPolarHBondContact O-CB 3.3Å; D415-Q419 PolarHBondContact O-N 2.56Å; Q419-Q421 VanDerWaalsContact C-N 3.27Å; Q419-Q421 PolarHBondContact O-N 3.49Å; Q419-A422 PolarHBondContact O-N 3.25Å; Q419-A422 VanDerWaalsContact O-N 3.14Å; Q419-D423 PolarHBondContact NE2-OD1 3.07Å; Q419-D423 PolarHBondContact O-N 2.73Å; Q419-Y469 HydrophobicContact CB-CD1 4.27Å; Q419-E470 PolarHBondContact NE2-O 3.13Å |
| 420 | F | 98.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -33 | 178.2 | -172.6 | -99.3 | 0 | 0 | 0 | 112.4 | E381 A384 Y385 L416 L417 D423 I424 M473 L481 | E381-F420 HydrophobicContact CB-CD1 4.11Å; E381-F420 HydrophobicContact CB-CE1 3.61Å; E381-F420 HydrophobicContact CB-CZ 4.03Å; E381-F420 HydrophobicContact CG-CD1 3.83Å; E381-F420 HydrophobicContact CG-CD2 4.32Å; E381-F420 HydrophobicContact CG-CE1 3.63Å; E381-F420 HydrophobicContact CG-CE2 4.12Å; E381-F420 HydrophobicContact CG-CG 4.18Å; E381-F420 HydrophobicContact CG-CZ 3.78Å; A384-F420 HydrophobicContact CB-CD1 3.56Å; A384-F420 HydrophobicContact CB-CE1 3.97Å; Y385-F420 HydrophobicContact CE1-CE1 4.19Å; Y385-F420 HydrophobicContact CE1-CZ 4.02Å; Y385-F420 HydrophobicContact CE2-CE1 4.31Å; Y385-F420 HydrophobicContact CE2-CZ 4.33Å; Y385-F420 AromaticContact CZ-CZ 3.72Å; L416-F420 VanDerWaalsContact O-CB 3.32Å; L416-F420 WeakPolarHBondContact O-CB 3.36Å; L416-F420 PolarHBondContact O-N 3.11Å; L417-F420 PolarHBondContact O-N 3.14Å; F420-D423 PolarHBondContact O-N 3.44Å; F420-I424 HydrophobicContact CE1-CB 4.43Å; F420-I424 WeakPolarHBondContact O-CB 3.32Å; F420-I424 WeakPolarHBondContact O-CG2 3.42Å; F420-I424 PolarHBondContact O-N 3.12Å; F420-M473 HydrophobicContact CD2-CE 4.15Å; F420-M473 HydrophobicContact CE2-CE 4.08Å; F420-L481 HydrophobicContact CE2-CD1 4.16Å; F420-L481 HydrophobicContact CZ-CD1 4.44Å |
| 421 | Q | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.4 | -177.1 | 65.7 | 81.5 | 0 | 0 | 112.2 | Y264 A384 T387 L405 L417 L418 Q419 L425 V429 | Y264-Q421 VanDerWaalsContact OH-CD 3.29Å; Y264-Q421 WeakPolarHBondContact OH-CG 3.49Å; Y264-Q421 PolarHBondContact OH-OE1 3.27Å; A384-Q421 HydrophobicContact CB-CB 4.31Å; A384-Q421 PolarHBondContact O-NE2 3.23Å; T387-Q421 PolarHBondContact OG1-OE1 2.85Å; L405-Q421 HydrophobicContact CD2-CG 4.28Å; L417-Q421 WeakPolarHBondContact O-CB 3.43Å; L417-Q421 PolarHBondContact O-N 2.93Å; L418-Q421 PolarHBondContact O-N 3.24Å; Q419-Q421 VanDerWaalsContact C-N 3.27Å; Q419-Q421 PolarHBondContact O-N 3.49Å; Q421-L425 HydrophobicContact CG-CD1 4.05Å; Q421-L425 VanDerWaalsContact NE2-CD1 3.28Å; Q421-L425 VanDerWaalsContact NE2-CG 3.33Å; Q421-L425 WeakPolarHBondContact O-CB 3.19Å; Q421-L425 WeakPolarHBondContact O-CG 2.97Å; Q421-L425 PolarHBondContact O-N 3.22Å; Q421-V429 HydrophobicContact CB-CG2 4.33Å; Q421-V429 HydrophobicContact CG-CG2 3.94Å |
| 422 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L418 Q419 L425 Q426 T427 V429 | L418-A422 PolarHBondContact O-N 3.45Å; Q419-A422 PolarHBondContact O-N 3.25Å; Q419-A422 VanDerWaalsContact O-N 3.14Å; A422-L425 PolarHBondContact O-N 3.41Å; A422-Q426 WeakPolarHBondContact O-CA 3.3Å; A422-Q426 PolarHBondContact O-N 2.92Å; A422-T427 WeakPolarHBondContact CA-O 3.3Å; A422-T427 PolarHBondContact O-N 2.62Å; A422-V429 HydrophobicContact CB-CB 4.13Å; A422-V429 HydrophobicContact CB-CG2 3.77Å |
| 423 | D | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -56.1 | 176.7 | -66.1 | -23.5 | 0 | 0 | 0 | 111.5 | Q419 F420 L425 Q426 A472 M473 T478 | Q419-D423 PolarHBondContact NE2-OD1 3.07Å; Q419-D423 PolarHBondContact O-N 2.73Å; F420-D423 PolarHBondContact O-N 3.44Å; D423-L425 VanDerWaalsContact C-N 3.27Å; D423-L425 PolarHBondContact O-N 2.85Å; D423-Q426 WeakPolarHBondContact O-CG 3.3Å; D423-Q426 PolarHBondContact O-N 2.98Å; D423-Q426 VanDerWaalsContact O-N 3.1Å; D423-Q426 PolarHBondContact O-NE2 3.25Å; D423-A472 PolarHBondContact OD1-N 3.41Å; D423-M473 HydrophobicContact CB-CB 3.72Å; D423-M473 HydrophobicContact CB-CE 4.33Å; D423-M473 PolarHBondContact OD1-N 2.9Å; D423-T478 WeakPolarHBondContact O-CG2 3.29Å |
| 424 | I | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.8 | -24.8 | -174.5 | -161.1 | 60.2 | 0 | 0 | 0 | 113.6 | A384 Y385 A388 F420 L481 Y482 | A384-I424 HydrophobicContact CB-CG2 4.17Å; Y385-I424 HydrophobicContact CD1-CD1 4.05Å; Y385-I424 HydrophobicContact CD1-CG1 3.79Å; Y385-I424 HydrophobicContact CE1-CD1 3.63Å; Y385-I424 HydrophobicContact CE1-CG1 3.85Å; A388-I424 HydrophobicContact CB-CG1 4.4Å; A388-I424 HydrophobicContact CB-CG2 4.15Å; F420-I424 HydrophobicContact CE1-CB 4.43Å; F420-I424 WeakPolarHBondContact O-CB 3.32Å; F420-I424 WeakPolarHBondContact O-CG2 3.42Å; F420-I424 PolarHBondContact O-N 3.12Å; I424-L481 HydrophobicContact CD1-CB 4.49Å; I424-Y482 HydrophobicContact CG1-CD2 4.47Å |
| 425 | L | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 24.1 Ų | 24.1 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -87 | -17.7 | 174.3 | -74.6 | 176.2 | 0 | 0 | 0 | 113.5 | A388 V391 L405 Q421 A422 D423 T427 | A388-L425 HydrophobicContact CB-CD2 3.9Å; V391-L425 HydrophobicContact CB-CD2 3.73Å; V391-L425 HydrophobicContact CG1-CD1 4.45Å; V391-L425 HydrophobicContact CG1-CD2 3.67Å; V391-L425 HydrophobicContact CG2-CD1 4.43Å; V391-L425 HydrophobicContact CG2-CD2 4.29Å; L405-L425 HydrophobicContact CD2-CD1 3.6Å; Q421-L425 HydrophobicContact CG-CD1 4.05Å; Q421-L425 VanDerWaalsContact NE2-CD1 3.28Å; Q421-L425 VanDerWaalsContact NE2-CG 3.33Å; Q421-L425 WeakPolarHBondContact O-CB 3.19Å; Q421-L425 WeakPolarHBondContact O-CG 2.97Å; Q421-L425 PolarHBondContact O-N 3.22Å; A422-L425 PolarHBondContact O-N 3.41Å; D423-L425 VanDerWaalsContact C-N 3.27Å; D423-L425 PolarHBondContact O-N 2.85Å; L425-T427 PolarHBondContact O-N 3.1Å; L425-T427 VanDerWaalsContact O-N 3.15Å; L425-T427 PolarHBondContact O-OG1 3.05Å |
| 426 | Q | 97.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 24 Ų | 24 | 31% | 0.308 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.6 | -168.6 | -64 | -74.2 | -48.7 | 0 | 0 | 111.9 | A422 D423 P471 M473 | A422-Q426 WeakPolarHBondContact O-CA 3.3Å; A422-Q426 PolarHBondContact O-N 2.92Å; D423-Q426 WeakPolarHBondContact O-CG 3.3Å; D423-Q426 PolarHBondContact O-N 2.98Å; D423-Q426 VanDerWaalsContact O-N 3.1Å; D423-Q426 PolarHBondContact O-NE2 3.25Å; Q426-P471 VanDerWaalsContact C-CG 3.49Å; Q426-M473 PolarHBondContact NE2-O 3.09Å |
| 427 | T | 97.2 | Very high | 96 | Very high | 15 Ų | 15 | 23.2 Ų | 23.2 | 9% | 0.092 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -138.7 | 137 | -175.3 | -58 | 0 | 0 | 0 | 0 | 108.8 | I402 A422 L425 V429 | I402-T427 VanDerWaalsContact O-CG2 3.31Å; I402-T427 WeakPolarHBondContact O-CG2 3.17Å; A422-T427 WeakPolarHBondContact CA-O 3.3Å; A422-T427 PolarHBondContact O-N 2.62Å; L425-T427 PolarHBondContact O-N 3.1Å; L425-T427 VanDerWaalsContact O-N 3.15Å; L425-T427 PolarHBondContact O-OG1 3.05Å; T427-V429 PolarHBondContact O-N 3.27Å |
| 428 | P | 97.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | trans | -55 | 140.1 | 175.2 | -22.8 | 30.1 | 0 | 0 | 0 | 112.6 | K403 L404 L405 Y469 E470 | K403-P428 WeakPolarHBondContact O-CD 3.46Å; L404-P428 HydrophobicContact CD1-CB 3.97Å; L405-P428 PolarHBondContact N-O 3.17Å; P428-Y469 WeakPolarHBondContact CA-O 3.42Å; P428-E470 WeakPolarHBondContact CG-OE2 3.32Å | ||
| 429 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.1 | 175 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | L405 V407 L418 Q421 A422 T427 R468 Y469 | L405-V429 HydrophobicContact CB-CG2 4.37Å; L405-V429 WeakPolarHBondContact O-CA 3.28Å; V407-V429 HydrophobicContact CB-CG1 4.35Å; V407-V429 HydrophobicContact CG1-CG1 3.63Å; V407-V429 HydrophobicContact CG2-CG1 3.72Å; L418-V429 HydrophobicContact CD2-CG1 4.33Å; Q421-V429 HydrophobicContact CB-CG2 4.33Å; Q421-V429 HydrophobicContact CG-CG2 3.94Å; A422-V429 HydrophobicContact CB-CB 4.13Å; A422-V429 HydrophobicContact CB-CG2 3.77Å; T427-V429 PolarHBondContact O-N 3.27Å; V429-R468 CarbonylContact O-C 3.59Å; V429-R468 WeakPolarHBondContact O-CA 3.44Å; V429-Y469 PolarHBondContact N-O 3.02Å; V429-Y469 PolarHBondContact O-N 3.43Å |
| 430 | E | 97.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 114.6 | -178.9 | 177.4 | 176.1 | 84.2 | 0 | 0 | 110.6 | L404 L405 R406 V407 | L404-E430 HydrophobicContact CD1-CB 3.86Å; L405-E430 PolarHBondContact O-N 3.02Å; R406-E430 CarbonylContact C-O 3.57Å; R406-E430 WeakPolarHBondContact CA-O 3.46Å; R406-E430 IonicContact CZ-OE1 2.71Å; R406-E430 IonicContact NE-OE1 2.94Å; R406-E430 PolarHBondContact NE-OE1 2.96Å; R406-E430 VanDerWaalsContact NE-OE1 3.13Å; R406-E430 IonicContact NH2-OE1 2.56Å; V407-E430 PolarHBondContact N-O 2.86Å |
| 431 | R | 97.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 14% | 0.136 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.8 | 177.5 | 177.2 | 166 | 67.2 | -160.7 | 0.5 | 110.7 | V407 S412 K413 D415 L418 L435 G466 Q467 Y469 | V407-R431 HydrophobicContact CG2-CB 4.01Å; S412-R431 WeakPolarHBondContact O-CD 3.33Å; S412-R431 PolarHBondContact O-NH1 3.35Å; K413-R431 PolarHBondContact O-NH1 2.84Å; D415-R431 IonicContact OD1-CZ 3.45Å; D415-R431 IonicContact OD1-NH1 3.55Å; D415-R431 PolarHBondContact OD1-NH1 3.47Å; D415-R431 IonicContact OD1-NH2 3.59Å; D415-R431 PolarHBondContact OD1-NH2 2.98Å; L418-R431 HydrophobicContact CD1-CB 3.78Å; L418-R431 HydrophobicContact CD1-CG 4.22Å; R431-L435 HydrophobicContact CG-CD2 3.82Å; R431-G466 WeakPolarHBondContact O-CA 3.47Å; R431-Q467 PolarHBondContact N-O 3.3Å; R431-Q467 PolarHBondContact O-N 3.18Å; R431-Y469 HydrophobicContact CB-CE2 4.26Å; R431-Y469 PolarHBondContact NH1-OH 2.87Å; R431-Y469 PolarHBondContact NH2-OH 3.38Å; R431-Y469 VanDerWaalsContact NH2-OH 3.09Å |
| 432 | A | 94.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | trans | -54.7 | 138.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V407 D408 Y434 L435 T437 | V407-A432 PolarHBondContact O-N 2.8Å; D408-A432 HydrophobicContact CB-CB 4.17Å; A432-Y434 VanDerWaalsContact C-N 3.25Å; A432-Y434 VanDerWaalsContact CB-O 3.26Å; A432-Y434 WeakPolarHBondContact CB-O 3.21Å; A432-Y434 PolarHBondContact O-N 3.11Å; A432-L435 WeakPolarHBondContact O-CD2 3.5Å; A432-T437 HydrophobicContact CB-CG2 3.79Å | ||
| 433 | P | 90.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 21.3 Ų | 21.3 | 57% | 0.565 | 11% | 0.111 | S | C | * | . | S | Bend | trans | -64.3 | -32.5 | 178.1 | 27.7 | -37.1 | 0 | 0 | 0 | 112.2 | S464 | P433-S464 VanDerWaalsContact CG-OG 3.26Å; P433-S464 WeakPolarHBondContact CG-OG 3.21Å |
| 434 | Y | 89.9 | Confident | 95.6 | Very high | 52 Ų | 52 | 21.1 Ų | 21.1 | 20% | 0.204 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -115.2 | 126.3 | 170.9 | -175.7 | -112.6 | 0 | 0 | 0 | 108.3 | I18 F20 E26 A432 E436 T437 L440 | I18-Y434 WeakPolarHBondContact CD1-OH 3.38Å; F20-Y434 AromaticContact CE1-CE1 3.83Å; F20-Y434 HydrophobicContact CE1-CE1 3.83Å; F20-Y434 AromaticContact CE1-CZ 3.98Å; F20-Y434 AromaticContact CZ-CE1 3.96Å; F20-Y434 HydrophobicContact CZ-CE1 3.96Å; E26-Y434 HydrophobicContact CB-CE2 4.27Å; E26-Y434 VanDerWaalsContact OE2-CE2 3.3Å; E26-Y434 WeakPolarHBondContact OE2-CE2 2.96Å; E26-Y434 PolarHBondContact OE2-OH 2.97Å; A432-Y434 VanDerWaalsContact C-N 3.25Å; A432-Y434 VanDerWaalsContact CB-O 3.26Å; A432-Y434 WeakPolarHBondContact CB-O 3.21Å; A432-Y434 PolarHBondContact O-N 3.11Å; Y434-E436 HydrophobicContact CD1-CB 4.27Å; Y434-E436 HydrophobicContact CE1-CB 3.54Å; Y434-E436 WeakPolarHBondContact CE1-O 3.27Å; Y434-E436 HydrophobicContact CE2-CB 4.45Å; Y434-T437 VanDerWaalsContact O-CG2 3.24Å; Y434-T437 WeakPolarHBondContact O-CG2 3.29Å; Y434-L440 HydrophobicContact CD1-CB 4.29Å; Y434-L440 HydrophobicContact CD1-CD2 4.11Å; Y434-L440 HydrophobicContact CE1-CB 4.29Å |
| 435 | L | 87.9 | Confident | 95.6 | Very high | 23 Ų | 23 | 20.9 Ų | 20.9 | 12% | 0.12 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -90.1 | -18.3 | -166.7 | -62.6 | 175.7 | 0 | 0 | 0 | 113.2 | G409 S412 K413 R431 A432 T437 | G409-L435 PolarHBondContact N-O 3.21Å; S412-L435 WeakPolarHBondContact OG-CD2 3.37Å; K413-L435 HydrophobicContact CD-CD1 3.98Å; K413-L435 HydrophobicContact CG-CD1 3.51Å; R431-L435 HydrophobicContact CG-CD2 3.82Å; A432-L435 WeakPolarHBondContact O-CD2 3.5Å; L435-T437 PolarHBondContact O-N 3.1Å; L435-T437 VanDerWaalsContact O-N 3.11Å |
| 436 | E | 89.7 | Confident | 95.7 | Very high | 53 Ų | 53 | 20 Ų | 20 | 25% | 0.248 | 10% | 0.104 | C | C | . | . | trans | -87.6 | 46.9 | 179.1 | -65.4 | 66.3 | -159.8 | 0 | 0 | 109.8 | I18 Y434 T438 A439 L440 | I18-E436 HydrophobicContact CD1-CB 4.2Å; I18-E436 HydrophobicContact CD1-CG 4.46Å; Y434-E436 HydrophobicContact CD1-CB 4.27Å; Y434-E436 HydrophobicContact CE1-CB 3.54Å; Y434-E436 WeakPolarHBondContact CE1-O 3.27Å; Y434-E436 HydrophobicContact CE2-CB 4.45Å; E436-T438 PolarHBondContact O-N 3.14Å; E436-A439 PolarHBondContact O-N 2.64Å; E436-A439 VanDerWaalsContact O-N 3.13Å; E436-L440 PolarHBondContact O-N 3.07Å | ||
| 437 | T | 94.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59 | -30.4 | -179 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | G251 Q252 D408 A432 Y434 L435 L440 G441 | G251-T437 WeakPolarHBondContact CA-O 3.46Å; Q252-T437 HydrophobicContact CG-CG2 4.18Å; D408-T437 HydrophobicContact CB-CG2 3.75Å; D408-T437 PolarHBondContact OD1-OG1 2.67Å; D408-T437 PolarHBondContact OD2-OG1 3.03Å; A432-T437 HydrophobicContact CB-CG2 3.79Å; Y434-T437 VanDerWaalsContact O-CG2 3.24Å; Y434-T437 WeakPolarHBondContact O-CG2 3.29Å; L435-T437 PolarHBondContact O-N 3.1Å; L435-T437 VanDerWaalsContact O-N 3.11Å; T437-L440 PolarHBondContact O-N 2.56Å; T437-G441 PolarHBondContact O-N 2.72Å |
| 438 | T | 95.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 9% | 0.086 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53.5 | -54.5 | 172.1 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | T79 D244 A247 E436 G441 V442 | T79-T438 HydrophobicContact CG2-CG2 3.73Å; T79-T438 WeakPolarHBondContact OG1-CG2 3.06Å; D244-T438 HydrophobicContact CB-CG2 3.74Å; D244-T438 WeakPolarHBondContact O-CG2 3.28Å; A247-T438 HydrophobicContact CB-CG2 4.16Å; A247-T438 WeakPolarHBondContact CB-O 3.26Å; E436-T438 PolarHBondContact O-N 3.14Å; T438-G441 PolarHBondContact O-N 3.5Å; T438-V442 PolarHBondContact O-N 3.31Å |
| 439 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | S7 D9 I18 F20 E436 G441 V442 A443 | S7-A439 VanDerWaalsContact CB-O 3.25Å; S7-A439 WeakPolarHBondContact CB-O 3.44Å; D9-A439 HydrophobicContact CB-CB 4.49Å; I18-A439 HydrophobicContact CD1-CB 3.64Å; I18-A439 HydrophobicContact CG1-CB 4.26Å; F20-A439 HydrophobicContact CE2-CB 4.45Å; F20-A439 HydrophobicContact CZ-CB 4.39Å; E436-A439 PolarHBondContact O-N 2.64Å; E436-A439 VanDerWaalsContact O-N 3.13Å; A439-G441 VanDerWaalsContact C-N 3.31Å; A439-G441 PolarHBondContact O-N 3.41Å; A439-V442 WeakPolarHBondContact O-CG2 3.47Å; A439-V442 PolarHBondContact O-N 3.24Å; A439-A443 PolarHBondContact O-N 3.36Å |
| 440 | L | 95.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 20 Ų | 20 | 7% | 0.068 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.2 | -174.9 | 60.5 | 0 | 0 | 0 | 112.2 | F20 Y434 E436 T437 A443 Y444 | F20-L440 HydrophobicContact CD1-CD1 4.05Å; F20-L440 HydrophobicContact CE1-CD1 3.9Å; F20-L440 HydrophobicContact CZ-CB 4.32Å; F20-L440 HydrophobicContact CZ-CD1 4.28Å; Y434-L440 HydrophobicContact CD1-CB 4.29Å; Y434-L440 HydrophobicContact CD1-CD2 4.11Å; Y434-L440 HydrophobicContact CE1-CB 4.29Å; E436-L440 PolarHBondContact O-N 3.07Å; T437-L440 PolarHBondContact O-N 2.56Å; L440-A443 WeakPolarHBondContact O-CB 3.21Å; L440-A443 PolarHBondContact O-N 2.99Å; L440-Y444 HydrophobicContact CD1-CD1 4.5Å; L440-Y444 HydrophobicContact CD1-CE1 3.83Å; L440-Y444 HydrophobicContact CD1-CE2 4.07Å; L440-Y444 HydrophobicContact CD2-CE2 3.95Å; L440-Y444 HydrophobicContact CG-CD2 4.22Å; L440-Y444 HydrophobicContact CG-CE1 4.29Å; L440-Y444 HydrophobicContact CG-CE2 3.58Å; L440-Y444 PolarHBondContact O-N 3.4Å |
| 441 | G | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A247 T437 T438 A439 A443 Y444 L445 | A247-G441 WeakPolarHBondContact O-CA 3.44Å; T437-G441 PolarHBondContact O-N 2.72Å; T438-G441 PolarHBondContact O-N 3.5Å; A439-G441 VanDerWaalsContact C-N 3.31Å; A439-G441 PolarHBondContact O-N 3.41Å; G441-A443 VanDerWaalsContact C-N 3.33Å; G441-Y444 WeakPolarHBondContact O-CB 3.49Å; G441-Y444 PolarHBondContact O-N 3.01Å; G441-L445 WeakPolarHBondContact O-CG 3.46Å; G441-L445 PolarHBondContact O-N 3.42Å |
| 442 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.5 | -25 | 175.1 | -73.4 | 0 | 0 | 0 | 0 | 113.4 | I78 T79 A242 A247 T438 A439 L445 A446 | I78-V442 WeakPolarHBondContact O-CG1 3.49Å; T79-V442 HydrophobicContact CG2-CG1 4.37Å; T79-V442 HydrophobicContact CG2-CG2 3.58Å; A242-V442 HydrophobicContact CB-CG1 4.07Å; A247-V442 HydrophobicContact CB-CG1 3.84Å; T438-V442 PolarHBondContact O-N 3.31Å; A439-V442 WeakPolarHBondContact O-CG2 3.47Å; A439-V442 PolarHBondContact O-N 3.24Å; V442-L445 HydrophobicContact CG1-CD1 4.17Å; V442-L445 PolarHBondContact O-N 3.04Å; V442-A446 WeakPolarHBondContact O-CB 3.17Å; V442-A446 PolarHBondContact O-N 3.2Å |
| 443 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I5 F20 A439 L440 G441 L445 A446 G447 W453 | I5-A443 HydrophobicContact CG2-CB 3.83Å; F20-A443 HydrophobicContact CD2-CB 3.51Å; F20-A443 HydrophobicContact CE2-CB 3.87Å; F20-A443 HydrophobicContact CG-CB 4.26Å; A439-A443 PolarHBondContact O-N 3.36Å; L440-A443 WeakPolarHBondContact O-CB 3.21Å; L440-A443 PolarHBondContact O-N 2.99Å; G441-A443 VanDerWaalsContact C-N 3.33Å; A443-L445 PolarHBondContact O-N 3.43Å; A443-A446 PolarHBondContact O-N 3.1Å; A443-G447 PolarHBondContact O-N 3.25Å; A443-W453 WeakPolarHBondContact O-CZ3 3.49Å |
| 444 | Y | 97.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 175.1 | -66 | -32.7 | 0 | 0 | 0 | 112.7 | L253 L440 G441 A446 G447 L448 W453 I459 F462 | L253-Y444 HydrophobicContact CD2-CD2 4.11Å; L253-Y444 HydrophobicContact CD2-CE2 3.66Å; L440-Y444 HydrophobicContact CD1-CD1 4.5Å; L440-Y444 HydrophobicContact CD1-CE1 3.83Å; L440-Y444 HydrophobicContact CD1-CE2 4.07Å; L440-Y444 HydrophobicContact CD2-CE2 3.95Å; L440-Y444 HydrophobicContact CG-CD2 4.22Å; L440-Y444 HydrophobicContact CG-CE1 4.29Å; L440-Y444 HydrophobicContact CG-CE2 3.58Å; L440-Y444 PolarHBondContact O-N 3.4Å; G441-Y444 WeakPolarHBondContact O-CB 3.49Å; G441-Y444 PolarHBondContact O-N 3.01Å; Y444-A446 PolarHBondContact O-N 3.41Å; Y444-G447 PolarHBondContact O-N 2.88Å; Y444-L448 WeakPolarHBondContact O-CB 3.4Å; Y444-L448 VanDerWaalsContact O-CG 3.25Å; Y444-L448 WeakPolarHBondContact O-CG 3.46Å; Y444-L448 PolarHBondContact O-N 3.4Å; Y444-W453 HydrophobicContact CD1-CD2 4.44Å; Y444-W453 AromaticContact CD1-CE3 3.97Å; Y444-W453 HydrophobicContact CD1-CE3 3.97Å; Y444-W453 AromaticContact CD1-CH2 3.83Å; Y444-W453 HydrophobicContact CD1-CH2 3.83Å; Y444-W453 HydrophobicContact CD1-CZ2 4.29Å; Y444-W453 AromaticContact CD1-CZ3 3.67Å; Y444-W453 HydrophobicContact CD1-CZ3 3.67Å; Y444-W453 HydrophobicContact CE1-CH2 4.17Å; Y444-W453 HydrophobicContact CE1-CZ2 4.28Å; Y444-W453 HydrophobicContact CE1-CZ3 4.44Å; Y444-I459 HydrophobicContact CD1-CB 4.12Å; Y444-I459 HydrophobicContact CD1-CG2 3.75Å; Y444-I459 HydrophobicContact CD2-CD1 4.27Å; Y444-I459 HydrophobicContact CE1-CB 4.2Å; Y444-I459 HydrophobicContact CE1-CG2 4.16Å; Y444-I459 HydrophobicContact CG-CB 4.4Å; Y444-I459 HydrophobicContact CG-CD1 4.15Å; Y444-I459 HydrophobicContact CG-CG2 4.23Å; Y444-F462 HydrophobicContact CE1-CD2 4.18Å |
| 445 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 177.4 | -67.7 | 170.4 | 0 | 0 | 0 | 112.3 | N219 S220 A242 V250 I293 G441 V442 A443 A449 | N219-L445 HydrophobicContact CB-CD1 4.15Å; N219-L445 HydrophobicContact CB-CD2 4.17Å; S220-L445 PolarHBondContact OG-O 3.44Å; A242-L445 HydrophobicContact CB-CD1 3.81Å; V250-L445 HydrophobicContact CG1-CD2 4.3Å; V250-L445 HydrophobicContact CG1-CG 4.2Å; V250-L445 HydrophobicContact CG2-CD2 4.48Å; I293-L445 HydrophobicContact CD1-CD2 3.57Å; I293-L445 HydrophobicContact CG1-CD2 3.96Å; G441-L445 WeakPolarHBondContact O-CG 3.46Å; G441-L445 PolarHBondContact O-N 3.42Å; V442-L445 HydrophobicContact CG1-CD1 4.17Å; V442-L445 PolarHBondContact O-N 3.04Å; A443-L445 PolarHBondContact O-N 3.43Å; L445-A449 PolarHBondContact O-N 3.03Å |
| 446 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I5 A239 V442 A443 Y444 A449 V450 | I5-A446 HydrophobicContact CG2-CB 4.2Å; A239-A446 HydrophobicContact CB-CB 4.23Å; V442-A446 WeakPolarHBondContact O-CB 3.17Å; V442-A446 PolarHBondContact O-N 3.2Å; A443-A446 PolarHBondContact O-N 3.1Å; Y444-A446 PolarHBondContact O-N 3.41Å; A446-A449 PolarHBondContact O-N 3.48Å; A446-V450 WeakPolarHBondContact O-CG2 3.44Å; A446-V450 PolarHBondContact O-N 3.35Å; A446-V450 VanDerWaalsContact O-N 3.11Å |
| 447 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A443 Y444 G451 Y452 W453 | A443-G447 PolarHBondContact O-N 3.25Å; Y444-G447 PolarHBondContact O-N 2.88Å; G447-G451 CarbonylContact O-C 3.56Å; G447-G451 PolarHBondContact O-N 3.13Å; G447-G451 VanDerWaalsContact O-N 3.13Å; G447-Y452 WeakPolarHBondContact O-CA 3.39Å; G447-Y452 WeakPolarHBondContact O-CB 3.38Å; G447-Y452 PolarHBondContact O-N 3.3Å; G447-W453 PolarHBondContact O-N 2.97Å |
| 448 | L | 98 | Very high | 97 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 171.9 | -72 | 170.1 | 0 | 0 | 0 | 111 | Y444 V450 G451 W453 D455 I456 I459 | Y444-L448 WeakPolarHBondContact O-CB 3.4Å; Y444-L448 VanDerWaalsContact O-CG 3.25Å; Y444-L448 WeakPolarHBondContact O-CG 3.46Å; Y444-L448 PolarHBondContact O-N 3.4Å; L448-V450 VanDerWaalsContact C-N 3.33Å; L448-V450 PolarHBondContact O-N 3.44Å; L448-G451 PolarHBondContact O-N 2.95Å; L448-W453 HydrophobicContact CD2-CB 4.34Å; L448-D455 VanDerWaalsContact CD2-C 3.48Å; L448-I456 HydrophobicContact CD1-CG1 4.3Å; L448-I459 HydrophobicContact CD1-CD1 4.31Å |
| 449 | A | 98.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.9 | -33.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S220 A239 L445 A446 | S220-A449 PolarHBondContact OG-N 3.42Å; A239-A449 HydrophobicContact CB-CB 3.83Å; A239-A449 WeakPolarHBondContact O-CB 3.3Å; L445-A449 PolarHBondContact O-N 3.03Å; A446-A449 PolarHBondContact O-N 3.48Å |
| 450 | V | 98.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 26% | 0.255 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.6 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | I5 V222 P237 A239 A446 L448 Y452 | I5-V450 HydrophobicContact CD1-CG2 4.02Å; V222-V450 HydrophobicContact CG2-CG1 4.4Å; P237-V450 HydrophobicContact CB-CG1 4.26Å; P237-V450 HydrophobicContact CG-CG1 3.88Å; A239-V450 HydrophobicContact CB-CG1 3.57Å; A446-V450 WeakPolarHBondContact O-CG2 3.44Å; A446-V450 PolarHBondContact O-N 3.35Å; A446-V450 VanDerWaalsContact O-N 3.11Å; L448-V450 VanDerWaalsContact C-N 3.33Å; L448-V450 PolarHBondContact O-N 3.44Å; V450-Y452 VanDerWaalsContact C-N 3.33Å |
| 451 | G | 97.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 38 Ų | 38 | 59% | 0.588 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 21.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G447 L448 W453 | G447-G451 CarbonylContact O-C 3.56Å; G447-G451 PolarHBondContact O-N 3.13Å; G447-G451 VanDerWaalsContact O-N 3.13Å; L448-G451 PolarHBondContact O-N 2.95Å; G451-W453 VanDerWaalsContact C-N 3.32Å |
| 452 | Y | 97.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -64.2 | -40.3 | 170.6 | -168.9 | -105.1 | 0 | 0 | 0 | 111.2 | S3 I5 D21 K22 E74 G447 V450 | S3-Y452 WeakPolarHBondContact O-CE2 3.47Å; S3-Y452 PolarHBondContact O-OH 3.13Å; I5-Y452 HydrophobicContact CD1-CD1 4.31Å; I5-Y452 HydrophobicContact CD1-CD2 4.25Å; I5-Y452 HydrophobicContact CD1-CG 3.96Å; I5-Y452 HydrophobicContact CG1-CD1 3.55Å; I5-Y452 HydrophobicContact CG1-CD2 4.17Å; I5-Y452 HydrophobicContact CG1-CE1 3.85Å; I5-Y452 HydrophobicContact CG1-CE2 4.43Å; I5-Y452 HydrophobicContact CG1-CG 3.71Å; D21-Y452 WeakPolarHBondContact CA-OH 3.47Å; K22-Y452 HydrophobicContact CB-CE1 4.28Å; K22-Y452 HydrophobicContact CD-CE2 4.38Å; K22-Y452 HydrophobicContact CG-CE1 3.73Å; K22-Y452 HydrophobicContact CG-CE2 3.74Å; K22-Y452 WeakPolarHBondContact CG-OH 3.47Å; K22-Y452 PolarHBondContact N-OH 3.04Å; E74-Y452 HydrophobicContact CB-CD2 4.35Å; E74-Y452 VanDerWaalsContact OE2-CD2 3.32Å; E74-Y452 WeakPolarHBondContact OE2-CD2 3.35Å; G447-Y452 WeakPolarHBondContact O-CA 3.39Å; G447-Y452 WeakPolarHBondContact O-CB 3.38Å; G447-Y452 PolarHBondContact O-N 3.3Å; V450-Y452 VanDerWaalsContact C-N 3.33Å |
| 453 | W | 97 | Very high | 94.9 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -115.3 | 146.9 | 164.1 | -63.1 | -65.2 | 0 | 0 | 0 | 109.6 | I5 K22 A443 Y444 G447 L448 G451 I459 F462 | I5-W453 HydrophobicContact CG1-CH2 4.41Å; I5-W453 HydrophobicContact CG1-CZ3 4.3Å; K22-W453 PolarHBondContact O-NE1 2.74Å; A443-W453 WeakPolarHBondContact O-CZ3 3.49Å; Y444-W453 HydrophobicContact CD1-CD2 4.44Å; Y444-W453 AromaticContact CD1-CE3 3.97Å; Y444-W453 HydrophobicContact CD1-CE3 3.97Å; Y444-W453 AromaticContact CD1-CH2 3.83Å; Y444-W453 HydrophobicContact CD1-CH2 3.83Å; Y444-W453 HydrophobicContact CD1-CZ2 4.29Å; Y444-W453 AromaticContact CD1-CZ3 3.67Å; Y444-W453 HydrophobicContact CD1-CZ3 3.67Å; Y444-W453 HydrophobicContact CE1-CH2 4.17Å; Y444-W453 HydrophobicContact CE1-CZ2 4.28Å; Y444-W453 HydrophobicContact CE1-CZ3 4.44Å; G447-W453 PolarHBondContact O-N 2.97Å; L448-W453 HydrophobicContact CD2-CB 4.34Å; G451-W453 VanDerWaalsContact C-N 3.32Å; W453-I459 HydrophobicContact CB-CG2 3.78Å; W453-I459 HydrophobicContact CD2-CG2 3.84Å; W453-I459 HydrophobicContact CE3-CG2 4.11Å; W453-I459 HydrophobicContact CG-CG2 3.7Å; W453-F462 AromaticContact CD1-CE2 3.65Å; W453-F462 AromaticContact CD1-CZ 3.88Å; W453-F462 AromaticContact CE2-CE2 3.88Å; W453-F462 HydrophobicContact CG-CE2 4.46Å; W453-F462 HydrophobicContact CZ2-CE2 4.47Å; W453-F462 AromaticContact NE1-CE2 3.23Å; W453-F462 AromaticContact NE1-CZ 3.51Å |
| 454 | K | 95.4 | Very high | 94.1 | Very high | 166 Ų | 166 | 47.5 Ų | 47.5 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | trans | -73.8 | -44.1 | -170.8 | -178.9 | 178.9 | 166.4 | -96.8 | 0 | 113.5 | D458 | K454-D458 HydrophobicContact CB-CB 4.31Å; K454-D458 PolarHBondContact N-OD2 3.09Å | ||
| 455 | D | 95.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -165.3 | 174.9 | -171.5 | 48.7 | 44.2 | 0 | 0 | 0 | 110.2 | L448 D457 D458 I459 | L448-D455 VanDerWaalsContact CD2-C 3.48Å; D455-D457 PolarHBondContact O-N 3.41Å; D455-D457 WeakPolarHBondContact OD1-CB 3.22Å; D455-D457 PolarHBondContact OD1-N 3.2Å; D455-D458 VanDerWaalsContact O-CB 3.32Å; D455-D458 WeakPolarHBondContact O-CB 3.31Å; D455-D458 PolarHBondContact O-N 3.39Å; D455-D458 VanDerWaalsContact O-N 3.08Å; D455-D458 PolarHBondContact OD1-N 3.45Å; D455-I459 PolarHBondContact O-N 3.47Å |
| 456 | I | 95.3 | Very high | 93 | Very high | 42 Ų | 42 | 55 Ų | 55 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 178.2 | -67.8 | 173.4 | 0 | 0 | 0 | 111.6 | F255 L448 D458 I459 K460 | F255-I456 HydrophobicContact CB-CG2 4.43Å; F255-I456 HydrophobicContact CD1-CD1 3.96Å; F255-I456 HydrophobicContact CD1-CG2 4.25Å; F255-I456 HydrophobicContact CD2-CG2 3.54Å; F255-I456 HydrophobicContact CE1-CD1 4.05Å; F255-I456 HydrophobicContact CE1-CG1 4.34Å; F255-I456 HydrophobicContact CE1-CG2 4.42Å; F255-I456 HydrophobicContact CE2-CG2 3.72Å; F255-I456 HydrophobicContact CG-CD1 4.48Å; F255-I456 HydrophobicContact CG-CG2 3.81Å; F255-I456 HydrophobicContact CZ-CG1 4.44Å; F255-I456 HydrophobicContact CZ-CG2 4.17Å; L448-I456 HydrophobicContact CD1-CG1 4.3Å; I456-D458 VanDerWaalsContact C-N 3.26Å; I456-D458 PolarHBondContact O-N 3.43Å; I456-I459 WeakPolarHBondContact O-CG1 3.3Å; I456-I459 PolarHBondContact O-N 3.37Å; I456-K460 HydrophobicContact CG2-CD 4.18Å; I456-K460 HydrophobicContact CG2-CG 4.28Å; I456-K460 WeakPolarHBondContact O-CB 3.41Å; I456-K460 WeakPolarHBondContact O-CG 3.35Å; I456-K460 PolarHBondContact O-N 3.01Å |
| 457 | D | 95 | Very high | 92.8 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.4 | -30.4 | 177.7 | -71.5 | -27.3 | 0 | 0 | 0 | 111.7 | D455 K461 | D455-D457 PolarHBondContact O-N 3.41Å; D455-D457 WeakPolarHBondContact OD1-CB 3.22Å; D455-D457 PolarHBondContact OD1-N 3.2Å; D457-K461 WeakPolarHBondContact O-CG 3.47Å |
| 458 | D | 94 | Very high | 92.8 | Very high | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 175.1 | -153 | 31.5 | 0 | 0 | 0 | 112.1 | K454 D455 I456 K461 | K454-D458 HydrophobicContact CB-CB 4.31Å; K454-D458 PolarHBondContact N-OD2 3.09Å; D455-D458 VanDerWaalsContact O-CB 3.32Å; D455-D458 WeakPolarHBondContact O-CB 3.31Å; D455-D458 PolarHBondContact O-N 3.39Å; D455-D458 VanDerWaalsContact O-N 3.08Å; D455-D458 PolarHBondContact OD1-N 3.45Å; I456-D458 VanDerWaalsContact C-N 3.26Å; I456-D458 PolarHBondContact O-N 3.43Å; D458-K461 WeakPolarHBondContact O-CB 3.39Å; D458-K461 PolarHBondContact O-N 3.06Å; D458-K461 IonicContact OD1-NZ 2.73Å; D458-K461 PolarHBondContact OD1-NZ 2.64Å |
| 459 | I | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.5 | -32.2 | 176.9 | 61.9 | 174.8 | 0 | 0 | 0 | 112.3 | L253 F255 Y444 L448 W453 D455 I456 K461 F462 | L253-I459 HydrophobicContact CD2-CD1 4.15Å; L253-I459 HydrophobicContact CD2-CG1 4.2Å; F255-I459 HydrophobicContact CE2-CD1 3.69Å; F255-I459 HydrophobicContact CE2-CG1 4.44Å; F255-I459 HydrophobicContact CZ-CD1 3.58Å; Y444-I459 HydrophobicContact CD1-CB 4.12Å; Y444-I459 HydrophobicContact CD1-CG2 3.75Å; Y444-I459 HydrophobicContact CD2-CD1 4.27Å; Y444-I459 HydrophobicContact CE1-CB 4.2Å; Y444-I459 HydrophobicContact CE1-CG2 4.16Å; Y444-I459 HydrophobicContact CG-CB 4.4Å; Y444-I459 HydrophobicContact CG-CD1 4.15Å; Y444-I459 HydrophobicContact CG-CG2 4.23Å; L448-I459 HydrophobicContact CD1-CD1 4.31Å; W453-I459 HydrophobicContact CB-CG2 3.78Å; W453-I459 HydrophobicContact CD2-CG2 3.84Å; W453-I459 HydrophobicContact CE3-CG2 4.11Å; W453-I459 HydrophobicContact CG-CG2 3.7Å; D455-I459 PolarHBondContact O-N 3.47Å; I456-I459 WeakPolarHBondContact O-CG1 3.3Å; I456-I459 PolarHBondContact O-N 3.37Å; I459-K461 PolarHBondContact O-N 2.99Å; I459-K461 VanDerWaalsContact O-N 3.13Å; I459-F462 HydrophobicContact CB-CD2 4.44Å; I459-F462 WeakPolarHBondContact O-CB 3.17Å; I459-F462 WeakPolarHBondContact O-CD2 3.43Å; I459-F462 PolarHBondContact O-N 3.07Å |
| 460 | K | 92.5 | Very high | 92.8 | Very high | 65 Ų | 65 | 68 Ų | 68 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61 | -21.2 | 176 | -81 | -177.4 | 174.7 | -171.2 | 0 | 112.6 | D256 I456 F462 A463 | D256-K460 IonicContact OD1-NZ 3.11Å; D256-K460 IonicContact OD2-NZ 2.72Å; D256-K460 PolarHBondContact OD2-NZ 2.92Å; D256-K460 VanDerWaalsContact OD2-NZ 3.11Å; I456-K460 HydrophobicContact CG2-CD 4.18Å; I456-K460 HydrophobicContact CG2-CG 4.28Å; I456-K460 WeakPolarHBondContact O-CB 3.41Å; I456-K460 WeakPolarHBondContact O-CG 3.35Å; I456-K460 PolarHBondContact O-N 3.01Å; K460-F462 PolarHBondContact O-N 3.22Å; K460-A463 WeakPolarHBondContact O-CB 3.48Å; K460-A463 PolarHBondContact O-N 2.84Å; K460-A463 VanDerWaalsContact O-N 3.15Å |
| 461 | K | 89.6 | Confident | 92.8 | Very high | 146 Ų | 146 | 67.9 Ų | 67.9 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18.1 | 174.7 | -62.7 | 166.2 | -163.7 | 160.7 | 0 | 113.5 | D457 D458 I459 A463 | D457-K461 WeakPolarHBondContact O-CG 3.47Å; D458-K461 WeakPolarHBondContact O-CB 3.39Å; D458-K461 PolarHBondContact O-N 3.06Å; D458-K461 IonicContact OD1-NZ 2.73Å; D458-K461 PolarHBondContact OD1-NZ 2.64Å; I459-K461 PolarHBondContact O-N 2.99Å; I459-K461 VanDerWaalsContact O-N 3.13Å; K461-A463 VanDerWaalsContact C-N 3.3Å |
| 462 | F | 83.3 | Confident | 92.8 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.2 | 174.8 | -49.8 | -45.8 | 0 | 0 | 0 | 112.8 | K22 Y444 W453 I459 K460 S464 | K22-F462 WeakPolarHBondContact O-CZ 3.27Å; Y444-F462 HydrophobicContact CE1-CD2 4.18Å; W453-F462 AromaticContact CD1-CE2 3.65Å; W453-F462 AromaticContact CD1-CZ 3.88Å; W453-F462 AromaticContact CE2-CE2 3.88Å; W453-F462 HydrophobicContact CG-CE2 4.46Å; W453-F462 HydrophobicContact CZ2-CE2 4.47Å; W453-F462 AromaticContact NE1-CE2 3.23Å; W453-F462 AromaticContact NE1-CZ 3.51Å; I459-F462 HydrophobicContact CB-CD2 4.44Å; I459-F462 WeakPolarHBondContact O-CB 3.17Å; I459-F462 WeakPolarHBondContact O-CD2 3.43Å; I459-F462 PolarHBondContact O-N 3.07Å; K460-F462 PolarHBondContact O-N 3.22Å; F462-S464 PolarHBondContact O-N 3.26Å; F462-S464 VanDerWaalsContact O-N 3.17Å |
| 463 | A | 81.3 | Confident | 92.8 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | trans | -56.7 | 123 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L253 K460 K461 | L253-A463 HydrophobicContact CD1-CB 3.64Å; K460-A463 WeakPolarHBondContact O-CB 3.48Å; K460-A463 PolarHBondContact O-N 2.84Å; K460-A463 VanDerWaalsContact O-N 3.15Å; K461-A463 VanDerWaalsContact C-N 3.3Å | ||
| 464 | S | 80.5 | Confident | 92.8 | Very high | 73 Ų | 73 | 76.5 Ų | 76.5 | 51% | 0.51 | 40% | 0.403 | S | S | . | . | trans | -125.5 | 137.9 | 169.5 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | P433 F462 G466 | P433-S464 VanDerWaalsContact CG-OG 3.26Å; P433-S464 WeakPolarHBondContact CG-OG 3.21Å; F462-S464 PolarHBondContact O-N 3.26Å; F462-S464 VanDerWaalsContact O-N 3.17Å; S464-G466 PolarHBondContact O-N 2.85Å | ||
| 465 | D | 83 | Confident | 92.9 | Very high | 148 Ų | 148 | 72.8 Ų | 72.8 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | trans | -61.7 | 133.2 | -179.8 | -62.7 | -24.3 | 0 | 0 | 0 | 110.5 | ||||
| 466 | G | 90.2 | Very high | 93 | Very high | 18 Ų | 18 | 77 Ų | 77 | 19% | 0.186 | 41% | 0.411 | C | S | . | . | trans | -79.5 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R431 S464 R468 | R431-G466 WeakPolarHBondContact O-CA 3.47Å; S464-G466 PolarHBondContact O-N 2.85Å; G466-R468 PolarHBondContact O-N 3.28Å | ||
| 467 | Q | 95.4 | Very high | 93.1 | Very high | 98 Ų | 98 | 78.3 Ų | 78.3 | 46% | 0.458 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.6 | 165.2 | -177 | 171.7 | -6.3 | 0 | 0 | 109.1 | R431 Y469 | R431-Q467 PolarHBondContact N-O 3.3Å; R431-Q467 PolarHBondContact O-N 3.18Å; Q467-Y469 HydrophobicContact CB-CE2 4.31Å; Q467-Y469 VanDerWaalsContact CD-OH 3.28Å; Q467-Y469 HydrophobicContact CG-CE2 3.91Å; Q467-Y469 PolarHBondContact NE2-OH 2.93Å; Q467-Y469 PolarHBondContact OE1-OH 3.38Å |
| 468 | R | 97.1 | Very high | 93.2 | Very high | 131 Ų | 131 | 73.1 Ų | 73.1 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.6 | -177.1 | -174.9 | 167.4 | 165.1 | 169.9 | -5 | 111.4 | V429 G466 E470 | V429-R468 CarbonylContact O-C 3.59Å; V429-R468 WeakPolarHBondContact O-CA 3.44Å; G466-R468 PolarHBondContact O-N 3.28Å; R468-E470 IonicContact CZ-OE1 3.85Å; R468-E470 IonicContact NE-OE1 3.72Å; R468-E470 PolarHBondContact NE-OE1 3.05Å; R468-E470 IonicContact NH2-OE1 2.6Å; R468-E470 PolarHBondContact NH2-OE1 2.81Å; R468-E470 IonicContact NH2-OE2 3.35Å |
| 469 | Y | 98.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.5 | 179 | -55.6 | -100.3 | 0 | 0 | 0 | 107.8 | D415 L418 Q419 P428 V429 R431 Q467 | D415-Y469 HydrophobicContact CB-CE1 4.18Å; D415-Y469 PolarHBondContact OD1-OH 3.07Å; L418-Y469 HydrophobicContact CB-CD1 4.16Å; L418-Y469 HydrophobicContact CB-CD2 3.88Å; L418-Y469 HydrophobicContact CB-CE1 4.04Å; L418-Y469 HydrophobicContact CB-CE2 3.8Å; L418-Y469 HydrophobicContact CB-CG 4.08Å; L418-Y469 HydrophobicContact CD1-CD2 4.15Å; L418-Y469 HydrophobicContact CD1-CE2 3.5Å; L418-Y469 VanDerWaalsContact CD1-CE2 3.5Å; L418-Y469 HydrophobicContact CG-CE2 4.32Å; Q419-Y469 HydrophobicContact CB-CD1 4.27Å; P428-Y469 WeakPolarHBondContact CA-O 3.42Å; V429-Y469 PolarHBondContact N-O 3.02Å; V429-Y469 PolarHBondContact O-N 3.43Å; R431-Y469 HydrophobicContact CB-CE2 4.26Å; R431-Y469 PolarHBondContact NH1-OH 2.87Å; R431-Y469 PolarHBondContact NH2-OH 3.38Å; R431-Y469 VanDerWaalsContact NH2-OH 3.09Å; Q467-Y469 HydrophobicContact CB-CE2 4.31Å; Q467-Y469 VanDerWaalsContact CD-OH 3.28Å; Q467-Y469 HydrophobicContact CG-CE2 3.91Å; Q467-Y469 PolarHBondContact NE2-OH 2.93Å; Q467-Y469 PolarHBondContact OE1-OH 3.38Å |
| 470 | E | 98.3 | Very high | 93.6 | Very high | 91 Ų | 91 | 80 Ų | 80 | 43% | 0.425 | 43% | 0.43 | S | S | . | . | trans | -97.4 | 144.1 | 177.9 | -66.2 | -64.2 | 161.8 | 0 | 0 | 109.5 | Q419 P428 R468 A472 | Q419-E470 PolarHBondContact NE2-O 3.13Å; P428-E470 WeakPolarHBondContact CG-OE2 3.32Å; R468-E470 IonicContact CZ-OE1 3.85Å; R468-E470 IonicContact NE-OE1 3.72Å; R468-E470 PolarHBondContact NE-OE1 3.05Å; R468-E470 IonicContact NH2-OE1 2.6Å; R468-E470 PolarHBondContact NH2-OE1 2.81Å; R468-E470 IonicContact NH2-OE2 3.35Å; E470-A472 PolarHBondContact O-N 3.02Å | ||
| 471 | P | 98.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 78.1 Ų | 78.1 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | trans | -55.5 | 129.7 | 171.8 | -21.2 | 31.6 | 0 | 0 | 0 | 111 | Q426 | Q426-P471 VanDerWaalsContact C-CG 3.49Š| ||
| 472 | A | 97.6 | Very high | 94.3 | Very high | 83 Ų | 83 | 73 Ų | 73 | 69% | 0.686 | 40% | 0.4 | S | S | * | . | trans | -126.9 | -8.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D423 E470 | D423-A472 PolarHBondContact OD1-N 3.41Å; E470-A472 PolarHBondContact O-N 3.02Å | ||
| 473 | M | 97.3 | Very high | 95 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 22% | 0.222 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -93.2 | 137.4 | 176 | -167.6 | 177.7 | -62.5 | 0 | 0 | 111.5 | F420 D423 Q426 V477 T478 L481 | F420-M473 HydrophobicContact CD2-CE 4.15Å; F420-M473 HydrophobicContact CE2-CE 4.08Å; D423-M473 HydrophobicContact CB-CB 3.72Å; D423-M473 HydrophobicContact CB-CE 4.33Å; D423-M473 PolarHBondContact OD1-N 2.9Å; Q426-M473 PolarHBondContact NE2-O 3.09Å; M473-V477 HydrophobicContact CG-CB 4.02Å; M473-V477 HydrophobicContact CG-CG1 3.98Å; M473-V477 HydrophobicContact SD-CB 4.23Å; M473-V477 HydrophobicContact SD-CG1 3.68Å; M473-T478 HydrophobicContact CB-CG2 3.83Å; M473-T478 HydrophobicContact CG-CG2 3.69Å; M473-T478 HydrophobicContact SD-CG2 3.57Å; M473-T478 VanDerWaalsContact SD-CG2 3.57Å; M473-L481 HydrophobicContact CE-CD1 4.25Å; M473-L481 HydrophobicContact SD-CD1 3.61Å |
| 474 | D | 97.6 | Very high | 95.8 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | trans | -61.5 | 141.2 | 177.2 | -70.9 | -37.1 | 0 | 0 | 0 | 112.1 | D476 V477 T478 | D474-D476 VanDerWaalsContact C-N 3.32Å; D474-D476 PolarHBondContact O-N 3.37Å; D474-V477 HydrophobicContact CB-CG2 4.27Å; D474-V477 WeakPolarHBondContact O-CB 3.33Å; D474-V477 PolarHBondContact O-N 3.44Å; D474-T478 PolarHBondContact O-N 2.95Å; D474-T478 VanDerWaalsContact O-N 3.1Å | ||
| 475 | Q | 96.4 | Very high | 96.7 | Very high | 88 Ų | 88 | 66.5 Ų | 66.5 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.5 | -46.7 | -177.9 | -175.5 | 69.2 | 61.4 | 0 | 0 | 112.5 | V477 T478 D479 | Q475-V477 PolarHBondContact O-N 2.97Å; Q475-T478 WeakPolarHBondContact CA-OG1 3.26Å; Q475-T478 PolarHBondContact NE2-OG1 2.8Å; Q475-T478 PolarHBondContact O-N 2.92Å; Q475-T478 PolarHBondContact O-OG1 3.27Å; Q475-D479 PolarHBondContact NE2-OD1 2.95Å; Q475-D479 PolarHBondContact O-N 2.96Å |
| 476 | D | 97.8 | Very high | 97.4 | Very high | 136 Ų | 136 | 62 Ų | 62 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59 | -36.4 | -178.7 | -70.2 | -10.3 | 0 | 0 | 0 | 112.1 | D474 D480 | D474-D476 VanDerWaalsContact C-N 3.32Å; D474-D476 PolarHBondContact O-N 3.37Å; D476-D480 PolarHBondContact O-N 3.2Å |
| 477 | V | 97.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.3 | -43.1 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | M473 D474 Q475 D479 D480 L481 | M473-V477 HydrophobicContact CG-CB 4.02Å; M473-V477 HydrophobicContact CG-CG1 3.98Å; M473-V477 HydrophobicContact SD-CB 4.23Å; M473-V477 HydrophobicContact SD-CG1 3.68Å; D474-V477 HydrophobicContact CB-CG2 4.27Å; D474-V477 WeakPolarHBondContact O-CB 3.33Å; D474-V477 PolarHBondContact O-N 3.44Å; Q475-V477 PolarHBondContact O-N 2.97Å; V477-D479 VanDerWaalsContact C-N 3.31Å; V477-D479 PolarHBondContact O-N 3.22Å; V477-D480 PolarHBondContact O-N 3.16Å; V477-L481 HydrophobicContact CG1-CD1 4.12Å; V477-L481 HydrophobicContact CG1-CG 4.43Å; V477-L481 WeakPolarHBondContact O-CB 3.46Å; V477-L481 VanDerWaalsContact O-CG 3.29Å; V477-L481 WeakPolarHBondContact O-CG 3.32Å; V477-L481 PolarHBondContact O-N 3.3Å |
| 478 | T | 97.5 | Very high | 98 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | D423 M473 D474 Q475 Y482 | D423-T478 WeakPolarHBondContact O-CG2 3.29Å; M473-T478 HydrophobicContact CB-CG2 3.83Å; M473-T478 HydrophobicContact CG-CG2 3.69Å; M473-T478 HydrophobicContact SD-CG2 3.57Å; M473-T478 VanDerWaalsContact SD-CG2 3.57Å; D474-T478 PolarHBondContact O-N 2.95Å; D474-T478 VanDerWaalsContact O-N 3.1Å; Q475-T478 WeakPolarHBondContact CA-OG1 3.26Å; Q475-T478 PolarHBondContact NE2-OG1 2.8Å; Q475-T478 PolarHBondContact O-N 2.92Å; Q475-T478 PolarHBondContact O-OG1 3.27Å; T478-Y482 WeakPolarHBondContact O-CB 3.22Å; T478-Y482 PolarHBondContact O-N 3.33Å |
| 479 | D | 97.8 | Very high | 98 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 177.4 | -73.9 | -12.3 | 0 | 0 | 0 | 111.3 | Q475 V477 Y482 A483 | Q475-D479 PolarHBondContact NE2-OD1 2.95Å; Q475-D479 PolarHBondContact O-N 2.96Å; V477-D479 VanDerWaalsContact C-N 3.31Å; V477-D479 PolarHBondContact O-N 3.22Å; D479-Y482 PolarHBondContact O-N 3.33Å; D479-A483 WeakPolarHBondContact O-CB 3.33Å; D479-A483 PolarHBondContact O-N 3.27Å |
| 480 | D | 98.1 | Very high | 98 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -48 | 175.2 | -173.3 | 61.3 | 0 | 0 | 0 | 111.8 | D476 V477 Y482 A483 G484 | D476-D480 PolarHBondContact O-N 3.2Å; V477-D480 PolarHBondContact O-N 3.16Å; D480-Y482 VanDerWaalsContact C-N 3.34Å; D480-Y482 PolarHBondContact O-N 3.25Å; D480-A483 PolarHBondContact O-N 2.93Å; D480-G484 PolarHBondContact O-N 2.9Å |
| 481 | L | 98.4 | Very high | 98 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.5 | -74.4 | 177.7 | 0 | 0 | 0 | 112.1 | Y342 Y385 F420 I424 M473 V477 G484 W485 | Y342-L481 PolarHBondContact OH-O 3.04Å; Y342-L481 VanDerWaalsContact OH-O 3.06Å; Y385-L481 HydrophobicContact CE1-CB 4.33Å; Y385-L481 WeakPolarHBondContact OH-CB 3.13Å; F420-L481 HydrophobicContact CE2-CD1 4.16Å; F420-L481 HydrophobicContact CZ-CD1 4.44Å; I424-L481 HydrophobicContact CD1-CB 4.49Å; M473-L481 HydrophobicContact CE-CD1 4.25Å; M473-L481 HydrophobicContact SD-CD1 3.61Å; V477-L481 HydrophobicContact CG1-CD1 4.12Å; V477-L481 HydrophobicContact CG1-CG 4.43Å; V477-L481 WeakPolarHBondContact O-CB 3.46Å; V477-L481 VanDerWaalsContact O-CG 3.29Å; V477-L481 WeakPolarHBondContact O-CG 3.32Å; V477-L481 PolarHBondContact O-N 3.3Å; L481-G484 PolarHBondContact O-N 3.37Å; L481-W485 PolarHBondContact O-N 3.19Å; L481-W485 VanDerWaalsContact O-N 3.09Å |
| 482 | Y | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 178.6 | -169.3 | -115.2 | 0 | 0 | 0 | 112.1 | Y385 A388 D389 K392 I424 T478 D479 D480 W485 Q486 | Y385-Y482 HydrophobicContact CD1-CD2 4.18Å; A388-Y482 HydrophobicContact CB-CE2 4.08Å; D389-Y482 WeakPolarHBondContact OD1-CE2 3.33Å; D389-Y482 VanDerWaalsContact OD1-CZ 3.22Å; D389-Y482 PolarHBondContact OD1-OH 3.19Å; K392-Y482 HydrophobicContact CD-CE1 3.85Å; K392-Y482 HydrophobicContact CD-CE2 4.47Å; I424-Y482 HydrophobicContact CG1-CD2 4.47Å; T478-Y482 WeakPolarHBondContact O-CB 3.22Å; T478-Y482 PolarHBondContact O-N 3.33Å; D479-Y482 PolarHBondContact O-N 3.33Å; D480-Y482 VanDerWaalsContact C-N 3.34Å; D480-Y482 PolarHBondContact O-N 3.25Å; Y482-W485 AromaticContact CE2-CD1 3.86Å; Y482-W485 PolarHBondContact O-N 2.98Å; Y482-W485 WeakPolarHBondContact O-CB 3.24Å; Y482-Q486 HydrophobicContact CD1-CG 4.29Å; Y482-Q486 HydrophobicContact CE1-CG 4.01Å; Y482-Q486 WeakPolarHBondContact O-CG 3.29Å; Y482-Q486 PolarHBondContact O-N 3.34Å; Y482-Q486 PolarHBondContact OH-NE2 3Å; Y482-Q486 VanDerWaalsContact OH-NE2 3.16Å |
| 483 | A | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D479 D480 W485 Q486 E487 | D479-A483 WeakPolarHBondContact O-CB 3.33Å; D479-A483 PolarHBondContact O-N 3.27Å; D480-A483 PolarHBondContact O-N 2.93Å; A483-W485 VanDerWaalsContact C-N 3.33Å; A483-W485 PolarHBondContact O-N 3.19Å; A483-Q486 PolarHBondContact O-N 3.28Å; A483-E487 PolarHBondContact O-N 3.1Å |
| 484 | G | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D480 L481 E487 A488 | D480-G484 PolarHBondContact O-N 2.9Å; L481-G484 PolarHBondContact O-N 3.37Å; G484-E487 PolarHBondContact O-N 3.4Å; G484-A488 PolarHBondContact O-N 3.01Å |
| 485 | W | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 172.3 | 163.9 | -103.6 | 0 | 0 | 0 | 112.2 | Y342 V344 Y385 Q386 D389 L481 Y482 A483 E487 A488 V489 | Y342-W485 HydrophobicContact CD1-CB 4.1Å; Y342-W485 HydrophobicContact CD1-CE3 4.41Å; Y342-W485 HydrophobicContact CE1-CB 3.92Å; Y342-W485 VanDerWaalsContact CE1-N 3.3Å; V344-W485 HydrophobicContact CB-CZ3 4.46Å; V344-W485 HydrophobicContact CG1-CH2 4.3Å; V344-W485 HydrophobicContact CG2-CE3 4.47Å; V344-W485 HydrophobicContact CG2-CH2 4.31Å; V344-W485 HydrophobicContact CG2-CZ3 3.86Å; Y385-W485 VanDerWaalsContact CB-CE2 3.44Å; Y385-W485 HydrophobicContact CD1-CB 3.83Å; Y385-W485 AromaticContact CD1-CG 3.96Å; Y385-W485 HydrophobicContact CD1-CG 3.96Å; Y385-W485 HydrophobicContact CD2-CB 4.07Å; Y385-W485 AromaticContact CD2-CD2 3.94Å; Y385-W485 HydrophobicContact CD2-CD2 3.94Å; Y385-W485 AromaticContact CD2-CE3 3.73Å; Y385-W485 HydrophobicContact CD2-CE3 3.73Å; Y385-W485 HydrophobicContact CD2-CG 4.08Å; Y385-W485 HydrophobicContact CD2-CZ3 4.48Å; Y385-W485 HydrophobicContact CE1-CB 4.11Å; Y385-W485 HydrophobicContact CE2-CB 4.35Å; Y385-W485 HydrophobicContact CG-CB 3.83Å; Y385-W485 AromaticContact CG-CD2 3.73Å; Y385-W485 HydrophobicContact CG-CD2 3.73Å; Y385-W485 HydrophobicContact CG-CE3 4.01Å; Y385-W485 AromaticContact CG-CG 3.62Å; Y385-W485 HydrophobicContact CG-CG 3.62Å; Q386-W485 HydrophobicContact CB-CZ2 4.42Å; Q386-W485 HydrophobicContact CG-CH2 3.57Å; Q386-W485 HydrophobicContact CG-CZ2 3.44Å; Q386-W485 VanDerWaalsContact CG-CZ2 3.44Å; D389-W485 PolarHBondContact OD1-NE1 3.31Å; D389-W485 PolarHBondContact OD2-NE1 3.34Å; L481-W485 PolarHBondContact O-N 3.19Å; L481-W485 VanDerWaalsContact O-N 3.09Å; Y482-W485 AromaticContact CE2-CD1 3.86Å; Y482-W485 PolarHBondContact O-N 2.98Å; Y482-W485 WeakPolarHBondContact O-CB 3.24Å; A483-W485 VanDerWaalsContact C-N 3.33Å; A483-W485 PolarHBondContact O-N 3.19Å; W485-E487 PolarHBondContact O-N 3.24Å; W485-E487 VanDerWaalsContact C-N 3.32Å; W485-A488 WeakPolarHBondContact O-CB 3.4Å; W485-A488 PolarHBondContact O-N 3.23Å; W485-A488 VanDerWaalsContact O-N 3.13Å; W485-V489 HydrophobicContact CZ3-CG2 4.18Å; W485-V489 PolarHBondContact O-N 3.1Å; W485-V489 WeakPolarHBondContact O-CG2 3.47Å; W485-V489 HydrophobicContact CZ2-CG2 3.31Å; W485-V489 HydrophobicContact CH2-CG2 3.76Å; W485-V489 HydrophobicContact CE3-CG2 4.21Å; W485-V489 HydrophobicContact CD2-CG2 3.83Å |
| 486 | Q | 98.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 60 Ų | 60 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.9 | -72.3 | -62.2 | -51 | 0 | 0 | 111.5 | Y354 D389 Y482 A483 A488 V489 Q490 | Y354-Q486 PolarHBondContact OH-NE2 3.32Å; D389-Q486 PolarHBondContact OD1-NE2 3.21Å; Y482-Q486 HydrophobicContact CD1-CG 4.29Å; Y482-Q486 HydrophobicContact CE1-CG 4.01Å; Y482-Q486 WeakPolarHBondContact O-CG 3.29Å; Y482-Q486 PolarHBondContact O-N 3.34Å; Y482-Q486 PolarHBondContact OH-NE2 3Å; Y482-Q486 VanDerWaalsContact OH-NE2 3.16Å; A483-Q486 PolarHBondContact O-N 3.28Å; Q486-A488 PolarHBondContact O-N 2.99Å; Q486-V489 PolarHBondContact O-N 3.39Å; Q486-Q490 VanDerWaalsContact O-CG 3.3Å; Q486-Q490 WeakPolarHBondContact O-CG 3.44Å; Q486-Q490 PolarHBondContact O-N 3.29Å |
| 487 | E | 98.3 | Very high | 97.3 | Very high | 148 Ų | 148 | 59.1 Ų | 59.1 | 69% | 0.692 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174.3 | -71.1 | -173.5 | -167.8 | 0 | 0 | 112.3 | A483 G484 W485 V489 Q490 A491 | A483-E487 PolarHBondContact O-N 3.1Å; G484-E487 PolarHBondContact O-N 3.4Å; W485-E487 PolarHBondContact O-N 3.24Å; W485-E487 VanDerWaalsContact C-N 3.32Å; E487-V489 PolarHBondContact O-N 3.02Å; E487-Q490 PolarHBondContact O-N 2.6Å; E487-A491 WeakPolarHBondContact O-CB 2.79Å; E487-A491 PolarHBondContact O-N 3.32Å |
| 488 | A | 98.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y342 V344 F364 G484 W485 Q486 T492 | Y342-A488 HydrophobicContact CG-CB 4.11Å; V344-A488 HydrophobicContact CG2-CB 3.99Å; F364-A488 HydrophobicContact CD2-CB 3.79Å; F364-A488 HydrophobicContact CE2-CB 4.34Å; F364-A488 WeakPolarHBondContact CE2-O 3.48Å; F364-A488 HydrophobicContact CG-CB 4.42Å; G484-A488 PolarHBondContact O-N 3.01Å; W485-A488 WeakPolarHBondContact O-CB 3.4Å; W485-A488 PolarHBondContact O-N 3.23Å; W485-A488 VanDerWaalsContact O-N 3.13Å; Q486-A488 PolarHBondContact O-N 2.99Å; A488-T492 WeakPolarHBondContact O-CB 3.25Å; A488-T492 PolarHBondContact O-N 3.05Å; A488-T492 PolarHBondContact O-OG1 3.44Å |
| 489 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | V344 L350 Y354 W485 Q486 E487 A491 T492 M493 | V344-V489 HydrophobicContact CG1-CG2 4.32Å; V344-V489 HydrophobicContact CG2-CG2 4.28Å; L350-V489 HydrophobicContact CD1-CG1 3.84Å; Y354-V489 HydrophobicContact CD1-CG1 3.95Å; Y354-V489 HydrophobicContact CD2-CG1 4.34Å; Y354-V489 HydrophobicContact CE1-CB 4.49Å; Y354-V489 HydrophobicContact CE1-CG1 3.53Å; Y354-V489 HydrophobicContact CE2-CG1 3.95Å; Y354-V489 HydrophobicContact CG-CG1 4.33Å; W485-V489 HydrophobicContact CZ3-CG2 4.18Å; W485-V489 PolarHBondContact O-N 3.1Å; W485-V489 WeakPolarHBondContact O-CG2 3.47Å; W485-V489 HydrophobicContact CZ2-CG2 3.31Å; W485-V489 HydrophobicContact CH2-CG2 3.76Å; W485-V489 HydrophobicContact CE3-CG2 4.21Å; W485-V489 HydrophobicContact CD2-CG2 3.83Å; Q486-V489 PolarHBondContact O-N 3.39Å; E487-V489 PolarHBondContact O-N 3.02Å; V489-A491 VanDerWaalsContact C-N 3.33Å; V489-A491 PolarHBondContact O-N 2.8Å; V489-T492 VanDerWaalsContact O-CB 3.3Å; V489-T492 WeakPolarHBondContact O-CB 3.41Å; V489-T492 PolarHBondContact O-N 3.35Å; V489-T492 VanDerWaalsContact O-N 3.1Å; V489-M493 HydrophobicContact CG1-CE 4.15Å; V489-M493 PolarHBondContact O-N 3.19Å |
| 490 | Q | 98 | Very high | 94.8 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 176.4 | -68.7 | -61 | -31.6 | 0 | 0 | 111.7 | Q486 E487 T492 M493 Q494 | Q486-Q490 VanDerWaalsContact O-CG 3.3Å; Q486-Q490 WeakPolarHBondContact O-CG 3.44Å; Q486-Q490 PolarHBondContact O-N 3.29Å; E487-Q490 PolarHBondContact O-N 2.6Å; Q490-T492 VanDerWaalsContact C-N 3.3Å; Q490-T492 PolarHBondContact O-N 3.45Å; Q490-M493 PolarHBondContact O-N 3.38Å; Q490-M493 HydrophobicContact CG-CE 4.48Å; Q490-M493 VanDerWaalsContact CD-CE 3.47Å; Q490-M493 VanDerWaalsContact NE2-CE 3.35Å; Q490-Q494 WeakPolarHBondContact O-CG 3.49Å; Q490-Q494 PolarHBondContact O-N 3.01Å |
| 491 | A | 98.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F364 E487 V489 Q494 | F364-A491 HydrophobicContact CD1-CB 4.48Å; F364-A491 HydrophobicContact CE1-CB 3.71Å; F364-A491 HydrophobicContact CE2-CB 4.45Å; F364-A491 HydrophobicContact CZ-CB 3.69Å; E487-A491 WeakPolarHBondContact O-CB 2.79Å; E487-A491 PolarHBondContact O-N 3.32Å; V489-A491 VanDerWaalsContact C-N 3.33Å; V489-A491 PolarHBondContact O-N 2.8Å; A491-Q494 PolarHBondContact O-N 3.38Å |
| 492 | T | 98.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 87.8 Ų | 87.8 | 1% | 0.012 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | V344 A359 R360 A362 F364 A488 V489 Q490 Q494 Y495 | V344-T492 HydrophobicContact CB-CG2 4.43Å; V344-T492 HydrophobicContact CG1-CG2 3.98Å; A359-T492 HydrophobicContact CB-CG2 4.41Å; R360-T492 WeakPolarHBondContact O-CG2 3.42Å; A362-T492 HydrophobicContact CB-CG2 3.96Å; F364-T492 WeakPolarHBondContact CE2-OG1 3.42Å; A488-T492 WeakPolarHBondContact O-CB 3.25Å; A488-T492 PolarHBondContact O-N 3.05Å; A488-T492 PolarHBondContact O-OG1 3.44Å; V489-T492 VanDerWaalsContact O-CB 3.3Å; V489-T492 WeakPolarHBondContact O-CB 3.41Å; V489-T492 PolarHBondContact O-N 3.35Å; V489-T492 VanDerWaalsContact O-N 3.1Å; Q490-T492 VanDerWaalsContact C-N 3.3Å; Q490-T492 PolarHBondContact O-N 3.45Å; T492-Q494 PolarHBondContact O-N 3.23Å; T492-Y495 PolarHBondContact O-N 3.22Å |
| 493 | M | 97.1 | Very high | 91.6 | Very high | 30 Ų | 30 | 90.3 Ų | 90.3 | 15% | 0.148 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.9 | -21.5 | -179.9 | -66.9 | -171.7 | -66.4 | 0 | 0 | 113 | L350 Y354 D356 V489 Q490 Y495 K496 | L350-M493 HydrophobicContact CD1-CG 3.75Å; L350-M493 HydrophobicContact CD1-SD 4.19Å; Y354-M493 HydrophobicContact CD1-CE 4.08Å; Y354-M493 HydrophobicContact CD1-SD 4.01Å; Y354-M493 HydrophobicContact CG-SD 4.39Å; D356-M493 HydrophobicContact CB-CG 4.48Å; D356-M493 HydrophobicContact CB-SD 4.4Å; D356-M493 VanDerWaalsContact OD2-CG 3.3Å; D356-M493 WeakPolarHBondContact OD2-CG 3.31Å; V489-M493 HydrophobicContact CG1-CE 4.15Å; V489-M493 PolarHBondContact O-N 3.19Å; Q490-M493 PolarHBondContact O-N 3.38Å; Q490-M493 HydrophobicContact CG-CE 4.48Å; Q490-M493 VanDerWaalsContact CD-CE 3.47Å; Q490-M493 VanDerWaalsContact NE2-CE 3.35Å; M493-Y495 PolarHBondContact O-N 3.28Å; M493-Y495 VanDerWaalsContact C-N 3.33Å; M493-K496 WeakPolarHBondContact O-CE 3.46Å; M493-K496 PolarHBondContact O-NZ 3.25Å; M493-K496 VanDerWaalsContact O-NZ 3.07Å |
| 494 | Q | 97.3 | Very high | 91.2 | Very high | 150 Ų | 150 | 92.7 Ų | 92.7 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.7 | -20.9 | 175 | -61.6 | -53.3 | -50.2 | 0 | 0 | 113.8 | Q490 A491 T492 K496 | Q490-Q494 WeakPolarHBondContact O-CG 3.49Å; Q490-Q494 PolarHBondContact O-N 3.01Å; A491-Q494 PolarHBondContact O-N 3.38Å; T492-Q494 PolarHBondContact O-N 3.23Å; Q494-K496 PolarHBondContact O-N 3.43Å |
| 495 | Y | 95.2 | Very high | 90.8 | Very high | 145 Ų | 145 | 96.9 Ų | 96.9 | 57% | 0.569 | 46% | 0.456 | S | S | * | . | trans | -85.3 | 104.6 | 179.9 | -177.1 | -98.5 | 0 | 0 | 0 | 111.3 | T492 M493 H497 | T492-Y495 PolarHBondContact O-N 3.22Å; M493-Y495 PolarHBondContact O-N 3.28Å; M493-Y495 VanDerWaalsContact C-N 3.33Å; Y495-H497 HydrophobicContact CE1-CB 4.32Å; Y495-H497 HydrophobicContact CE2-CB 3.97Å | ||
| 496 | K | 92.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 102.5 Ų | 102.5 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | trans | -122.9 | 23.3 | -175.6 | -60.2 | -59.1 | -170.6 | -146.2 | 0 | 114.7 | D356 Q358 M493 Q494 Q498 | D356-K496 IonicContact OD1-NZ 3.49Å; D356-K496 PolarHBondContact OD1-NZ 3.41Å; D356-K496 IonicContact OD2-NZ 3.35Å; D356-K496 PolarHBondContact OD2-NZ 3.15Å; Q358-K496 HydrophobicContact CB-CD 3.6Å; M493-K496 WeakPolarHBondContact O-CE 3.46Å; M493-K496 PolarHBondContact O-NZ 3.25Å; M493-K496 VanDerWaalsContact O-NZ 3.07Å; Q494-K496 PolarHBondContact O-N 3.43Å; K496-Q498 PolarHBondContact O-N 3.18Å | ||
| 497 | H | 90 | Very high | 89.8 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.546 | 50% | 0.498 | S | S | . | . | trans | -63 | 123 | -176.1 | 179.6 | 65.1 | 0 | 0 | 0 | 111.7 | Y495 | Y495-H497 HydrophobicContact CE1-CB 4.32Å; Y495-H497 HydrophobicContact CE2-CB 3.97Å | ||
| 498 | Q | 80.5 | Confident | 89.3 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | trans | -105.4 | 112.2 | 170.6 | -64.3 | -66.2 | -14.9 | 0 | 0 | 108.6 | K496 | K496-Q498 PolarHBondContact O-N 3.18Š| ||
| 499 | P | 78.7 | Confident | 88.6 | Confident | 92 Ų | 92 | 109.8 Ų | 109.8 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 145.1 | 174.8 | 28.3 | -33 | 0 | 0 | 0 | 109.4 | ||
| 500 | K | 80.8 | Confident | 87.8 | Confident | 197 Ų | 197 | 118.2 Ų | 118.2 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.9 | 170.6 | -65 | -175.7 | 178.4 | -175.8 | 0 | 109.2 | K502 | K500-K502 PolarHBondContact O-N 3.24Š|
| 501 | E | 73.7 | Confident | 87 | Confident | 198 Ų | 198 | 120.2 Ų | 120.2 | 93% | 0.925 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135.7 | 170.1 | -65.7 | -169.6 | 155.9 | 0 | 0 | 109.6 | ||
| 502 | K | 61.3 | Low | 85.9 | Confident | 276 Ų | 276 | 127.1 Ų | 127.1 | 100% | 1.2 | 58% | 0.584 | S | S | * | * | trans | -86.3 | 0 | -178.6 | -84.4 | -170.9 | 178.2 | 179.5 | 0 | 112.2 | K500 | K500-K502 PolarHBondContact O-N 3.24Š|
Retrieved 502 of 502 residues in 421.8 ms
(Link to these results)