| 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 | 53.3 | Low | 87.9 | Confident | 175 Ų | 175 | 27.3 Ų | 27.3 | 86% | 0.862 | 15% | 0.15 | S | C | * | . | 0 | 122.2 | 0 | -84.4 | 179.1 | 176.2 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.2Š| |||
| 2 | T | 76.7 | Confident | 87.3 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 127.3 | -176.3 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | L23 R351 | T2-L23 HydrophobicContact CG2-CD1 3.77Å; T2-R351 WeakPolarHBondContact O-CB 3.33Å |
| 3 | S | 89.9 | Confident | 86.7 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 152.6 | 170.8 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | M1 P22 I349 | M1-S3 PolarHBondContact O-N 3.2Å; S3-P22 VanDerWaalsContact O-CD 3.3Å; S3-P22 WeakPolarHBondContact O-CD 3.06Å; S3-P22 WeakPolarHBondContact O-CG 3.35Å; S3-I349 CarbonylContact C-O 3.56Å; S3-I349 WeakPolarHBondContact CA-O 3.26Å; S3-I349 VanDerWaalsContact CB-O 3.28Å; S3-I349 WeakPolarHBondContact CB-O 3.2Å |
| 4 | L | 92.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 145.8 | 166.4 | -61 | 175 | 0 | 0 | 0 | 109.3 | V19 L348 I349 R351 L355 | L4-V19 HydrophobicContact CB-CG1 3.89Å; L4-V19 HydrophobicContact CD1-CG1 3.86Å; L4-V19 HydrophobicContact CG-CG1 4.4Å; L4-L348 WeakPolarHBondContact O-CA 3.49Å; L4-I349 HydrophobicContact CB-CD1 4.43Å; L4-I349 HydrophobicContact CB-CG1 3.91Å; L4-I349 PolarHBondContact N-O 2.86Å; L4-I349 PolarHBondContact O-N 3.06Å; L4-R351 HydrophobicContact CD1-CB 4.49Å; L4-R351 HydrophobicContact CD1-CG 4.34Å; L4-R351 HydrophobicContact CD2-CG 4.39Å; L4-R351 HydrophobicContact CG-CB 4.1Å; L4-R351 HydrophobicContact CG-CG 4.24Å; L4-L355 HydrophobicContact CD1-CD1 3.85Å |
| 5 | L | 95 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.2 | 174.1 | 174.6 | 68.6 | 0 | 0 | 0 | 109.3 | T7 V19 W20 P22 V304 I312 F327 L346 L348 | L5-T7 HydrophobicContact CD1-CG2 4.29Å; L5-T7 HydrophobicContact CD2-CG2 3.92Å; L5-T7 HydrophobicContact CG-CG2 3.86Å; L5-V19 CarbonylContact O-C 3.52Å; L5-V19 WeakPolarHBondContact O-CA 3.44Å; L5-W20 HydrophobicContact CB-CB 4.22Å; L5-W20 PolarHBondContact N-O 3.49Å; L5-W20 PolarHBondContact O-N 2.6Å; L5-P22 HydrophobicContact CB-CB 4.43Å; L5-V304 HydrophobicContact CD1-CG1 3.88Å; L5-V304 HydrophobicContact CD1-CG2 4.37Å; L5-V304 HydrophobicContact CD2-CG1 4.16Å; L5-I312 HydrophobicContact CD2-CG2 3.99Å; L5-F327 HydrophobicContact CD2-CE2 4.24Å; L5-F327 HydrophobicContact CD2-CZ 3.68Å; L5-L346 HydrophobicContact CD1-CD1 4.15Å; L5-L346 HydrophobicContact CD1-CD2 3.86Å; L5-L346 HydrophobicContact CD1-CG 3.71Å; L5-L348 HydrophobicContact CB-CD2 4.21Å; L5-L348 HydrophobicContact CD1-CD2 4.2Å |
| 6 | V | 95.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.5 | 172.7 | -164.7 | 0 | 0 | 0 | 0 | 109.7 | A17 I18 V19 L31 I41 V48 L346 C347 I349 | V6-A17 HydrophobicContact CG1-CB 4.02Å; V6-I18 WeakPolarHBondContact CA-O 3.28Å; V6-V19 HydrophobicContact CG1-CG2 4.22Å; V6-V19 HydrophobicContact CG2-CG1 4.32Å; V6-V19 HydrophobicContact CG2-CG2 4.12Å; V6-L31 HydrophobicContact CG1-CD1 4.36Å; V6-I41 HydrophobicContact CB-CD1 4.13Å; V6-I41 HydrophobicContact CG1-CD1 3.55Å; V6-V48 HydrophobicContact CG1-CG1 4.33Å; V6-V48 HydrophobicContact CG2-CG2 4.09Å; V6-L346 WeakPolarHBondContact O-CA 3.33Å; V6-C347 PolarHBondContact N-O 2.6Å; V6-C347 PolarHBondContact O-N 2.86Å; V6-I349 HydrophobicContact CG2-CD1 3.73Å; V6-I349 HydrophobicContact CG2-CG1 3.93Å; V6-I349 HydrophobicContact CG2-CG2 4.34Å |
| 7 | T | 96.3 | Very high | 87 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.5 | -176.3 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | L5 A17 I18 W20 V329 L343 G345 | L5-T7 HydrophobicContact CD1-CG2 4.29Å; L5-T7 HydrophobicContact CD2-CG2 3.92Å; L5-T7 HydrophobicContact CG-CG2 3.86Å; T7-A17 CarbonylContact O-C 3.54Å; T7-A17 VanDerWaalsContact O-CA 3.29Å; T7-A17 WeakPolarHBondContact O-CA 3.48Å; T7-I18 PolarHBondContact N-O 2.85Å; T7-I18 PolarHBondContact O-N 3.36Å; T7-W20 PolarHBondContact OG1-NE1 3.5Å; T7-V329 HydrophobicContact CG2-CG1 3.97Å; T7-L343 HydrophobicContact CG2-CD1 4.47Å; T7-G345 CarbonylContact C-O 3.46Å; T7-G345 VanDerWaalsContact CA-O 3.27Å; T7-G345 WeakPolarHBondContact CA-O 3.13Å |
| 8 | T | 95.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.9 | 167.8 | 70.3 | 0 | 0 | 0 | 0 | 110 | A16 A17 A36 I41 T344 G345 | T8-A16 WeakPolarHBondContact CB-O 3.41Å; T8-A16 WeakPolarHBondContact CG2-O 3.16Å; T8-A17 HydrophobicContact CG2-CB 3.72Å; T8-A36 HydrophobicContact CG2-CB 3.71Å; T8-I41 HydrophobicContact CG2-CB 4.09Å; T8-I41 HydrophobicContact CG2-CD1 3.46Å; T8-I41 VanDerWaalsContact CG2-CD1 3.46Å; T8-I41 HydrophobicContact CG2-CG1 4.3Å; T8-I41 HydrophobicContact CG2-CG2 4.49Å; T8-T344 WeakPolarHBondContact CB-OG1 3.21Å; T8-T344 PolarHBondContact O-N 3.06Å; T8-T344 PolarHBondContact O-OG1 3.35Å; T8-T344 VanDerWaalsContact O-OG1 3.07Å; T8-T344 VanDerWaalsContact OG1-C 3.31Å; T8-T344 PolarHBondContact OG1-OG1 3.05Å; T8-G345 PolarHBondContact N-O 2.79Å; T8-G345 PolarHBondContact O-N 3.05Å; T8-G345 VanDerWaalsContact OG1-CA 3.28Å; T8-G345 WeakPolarHBondContact OG1-CA 3.28Å; T8-G345 PolarHBondContact OG1-N 3.43Å |
| 9 | T | 94.5 | Very high | 87.5 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 163.6 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | E11 V329 F330 C342 T344 | T9-E11 WeakPolarHBondContact OG1-CB 3.06Å; T9-E11 PolarHBondContact OG1-N 3.28Å; T9-V329 HydrophobicContact CG2-CB 4.47Å; T9-V329 HydrophobicContact CG2-CG2 3.67Å; T9-F330 HydrophobicContact CG2-CD1 4.08Å; T9-F330 HydrophobicContact CG2-CE1 3.8Å; T9-C342 CarbonylContact C-O 3.58Å; T9-C342 WeakPolarHBondContact CA-O 3.25Å; T9-T344 VanDerWaalsContact C-OG1 3.32Å; T9-T344 VanDerWaalsContact CA-OG1 3.29Å; T9-T344 WeakPolarHBondContact CA-OG1 3.3Å; T9-T344 PolarHBondContact N-OG1 2.89Å; T9-T344 VanDerWaalsContact N-OG1 3.14Å |
| 10 | S | 91.3 | Very high | 87.8 | Confident | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -84.3 | 4.8 | 169 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | M35 N340 T341 C342 | S10-M35 WeakPolarHBondContact O-CE 3.46Å; S10-N340 PolarHBondContact OG-O 3.05Å; S10-T341 WeakPolarHBondContact OG-CA 3.42Å; S10-C342 PolarHBondContact N-O 3.29Å; S10-C342 PolarHBondContact OG-N 3.31Å; S10-C342 PolarHBondContact OG-O 2.72Å; S10-C342 PolarHBondContact OG-SG 3.31Å |
| 11 | E | 86.6 | Confident | 88 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -63.8 | 137.7 | 175.1 | -168.3 | 170 | -149.5 | 0 | 0 | 109.5 | T9 Q13 F330 N331 I334 S335 T341 | T9-E11 WeakPolarHBondContact OG1-CB 3.06Å; T9-E11 PolarHBondContact OG1-N 3.28Å; E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 HydrophobicContact CB-CG 4.24Å; E11-Q13 HydrophobicContact CG-CG 3.93Å; E11-Q13 PolarHBondContact O-N 2.95Å; E11-Q13 PolarHBondContact OE2-NE2 3.08Å; E11-F330 HydrophobicContact CB-CD1 4.26Å; E11-F330 HydrophobicContact CB-CE1 4.41Å; E11-N331 PolarHBondContact OE2-N 3.41Å; E11-I334 HydrophobicContact CG-CG2 3.88Å; E11-I334 WeakPolarHBondContact OE1-CB 3.29Å; E11-I334 VanDerWaalsContact OE1-CG2 3.26Å; E11-I334 WeakPolarHBondContact OE1-CG2 3.31Å; E11-S335 PolarHBondContact OE1-N 3.23Å; E11-T341 HydrophobicContact CB-CG2 4.11Å; E11-T341 HydrophobicContact CG-CG2 4.22Å |
| 12 | K | 80.6 | Confident | 89.9 | Confident | 189 Ų | 189 | 29.9 Ų | 29.9 | 82% | 0.822 | 16% | 0.159 | S | C | * | . | trans | -74.5 | 84.9 | 178.5 | -69.3 | -179 | -178.2 | 173.6 | 0 | 109.1 | ||||
| 13 | Q | 79.9 | Confident | 90.6 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | trans | -116.8 | 165.2 | 172.9 | -58.5 | -166.8 | -0.3 | 0 | 0 | 110.5 | E11 I334 | E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 HydrophobicContact CB-CG 4.24Å; E11-Q13 HydrophobicContact CG-CG 3.93Å; E11-Q13 PolarHBondContact O-N 2.95Å; E11-Q13 PolarHBondContact OE2-NE2 3.08Å; Q13-I334 HydrophobicContact CG-CD1 3.93Å | ||
| 14 | V | 79.8 | Confident | 90.6 | Very high | 121 Ų | 121 | 31.6 Ų | 31.6 | 73% | 0.733 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -72.5 | -21.1 | 175.8 | 180 | 0 | 0 | 0 | 0 | 111.2 | G33 | V14-G33 PolarHBondContact O-N 2.78Å; V14-G33 VanDerWaalsContact O-O 3.09Å |
| 15 | D | 87.3 | Confident | 90.5 | Very high | 56 Ų | 56 | 32.1 Ų | 32.1 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.3 | -173.7 | -57.2 | -42.7 | 0 | 0 | 0 | 111.2 | S30 | D15-S30 WeakPolarHBondContact CB-OG 3.35Å; D15-S30 PolarHBondContact OD1-OG 3.06Å; D15-S30 WeakPolarHBondContact OD2-CB 3.41Å; D15-S30 PolarHBondContact OD2-OG 3.22Å |
| 16 | A | 91.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -34.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T8 L31 D34 W61 | T8-A16 WeakPolarHBondContact CB-O 3.41Å; T8-A16 WeakPolarHBondContact CG2-O 3.16Å; A16-L31 PolarHBondContact N-O 2.7Å; A16-D34 WeakPolarHBondContact CB-O 3.46Å; A16-W61 HydrophobicContact CB-CH2 3.58Å; A16-W61 HydrophobicContact CB-CZ2 3.7Å |
| 17 | A | 93.2 | Very high | 90 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V6 T7 T8 L31 I41 | V6-A17 HydrophobicContact CG1-CB 4.02Å; T7-A17 CarbonylContact O-C 3.54Å; T7-A17 VanDerWaalsContact O-CA 3.29Å; T7-A17 WeakPolarHBondContact O-CA 3.48Å; T8-A17 HydrophobicContact CG2-CB 3.72Å; A17-L31 HydrophobicContact CB-CB 4.13Å; A17-L31 HydrophobicContact CB-CD1 4.03Å; A17-L31 HydrophobicContact CB-CG 4.4Å; A17-L31 PolarHBondContact N-O 3.32Å; A17-L31 WeakPolarHBondContact O-CB 3.42Å; A17-L31 PolarHBondContact O-N 2.82Å; A17-I41 HydrophobicContact CB-CD1 4.06Å |
| 18 | I | 92.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.3 | 177.3 | -55.7 | 174.3 | 0 | 0 | 0 | 108.6 | V6 T7 W20 P27 | V6-I18 WeakPolarHBondContact CA-O 3.28Å; T7-I18 PolarHBondContact N-O 2.85Å; T7-I18 PolarHBondContact O-N 3.36Å; I18-W20 HydrophobicContact CB-CZ2 4Å; I18-W20 HydrophobicContact CD1-CZ2 4.02Å; I18-W20 HydrophobicContact CG2-CD2 4.11Å; I18-W20 VanDerWaalsContact CG2-CE2 3.42Å; I18-W20 HydrophobicContact CG2-CG 4.5Å; I18-W20 HydrophobicContact CG2-CH2 4.37Å; I18-W20 HydrophobicContact CG2-CZ2 3.58Å; I18-W20 VanDerWaalsContact O-CD1 3.3Å; I18-W20 PolarHBondContact O-NE1 3.31Å; I18-P27 HydrophobicContact CG2-CB 3.79Å |
| 19 | V | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.2 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | L4 L5 V6 P27 V28 A29 L31 F63 | L4-V19 HydrophobicContact CB-CG1 3.89Å; L4-V19 HydrophobicContact CD1-CG1 3.86Å; L4-V19 HydrophobicContact CG-CG1 4.4Å; L5-V19 CarbonylContact O-C 3.52Å; L5-V19 WeakPolarHBondContact O-CA 3.44Å; V6-V19 HydrophobicContact CG1-CG2 4.22Å; V6-V19 HydrophobicContact CG2-CG1 4.32Å; V6-V19 HydrophobicContact CG2-CG2 4.12Å; V19-P27 CarbonylContact O-C 3.58Å; V19-P27 WeakPolarHBondContact O-CA 3.29Å; V19-V28 PolarHBondContact O-N 3.5Å; V19-A29 HydrophobicContact CB-CB 4.08Å; V19-A29 HydrophobicContact CG2-CB 4.25Å; V19-A29 PolarHBondContact N-O 3.45Å; V19-A29 PolarHBondContact O-N 2.92Å; V19-L31 HydrophobicContact CG2-CD1 4.16Å; V19-L31 HydrophobicContact CG2-CD2 4.32Å; V19-L31 HydrophobicContact CG2-CG 4.1Å; V19-F63 HydrophobicContact CG2-CE1 4.3Å; V19-F63 HydrophobicContact CG2-CZ 3.96Å |
| 20 | W | 93.3 | Very high | 89 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.8 | -173.7 | -50.7 | 79.7 | 0 | 0 | 0 | 111 | L5 T7 I18 P22 N26 P27 F327 V329 | L5-W20 HydrophobicContact CB-CB 4.22Å; L5-W20 PolarHBondContact N-O 3.49Å; L5-W20 PolarHBondContact O-N 2.6Å; T7-W20 PolarHBondContact OG1-NE1 3.5Å; I18-W20 HydrophobicContact CB-CZ2 4Å; I18-W20 HydrophobicContact CD1-CZ2 4.02Å; I18-W20 HydrophobicContact CG2-CD2 4.11Å; I18-W20 VanDerWaalsContact CG2-CE2 3.42Å; I18-W20 HydrophobicContact CG2-CG 4.5Å; I18-W20 HydrophobicContact CG2-CH2 4.37Å; I18-W20 HydrophobicContact CG2-CZ2 3.58Å; I18-W20 VanDerWaalsContact O-CD1 3.3Å; I18-W20 PolarHBondContact O-NE1 3.31Å; W20-P22 WeakPolarHBondContact O-CD 3.36Å; W20-N26 WeakPolarHBondContact CA-O 3.29Å; W20-P27 HydrophobicContact CD2-CB 4.38Å; W20-P27 HydrophobicContact CE3-CB 4.02Å; W20-P27 HydrophobicContact CE3-CG 4.49Å; W20-P27 HydrophobicContact CH2-CB 4.38Å; W20-P27 HydrophobicContact CZ3-CB 4.02Å; W20-P27 HydrophobicContact CZ3-CG 4.15Å; W20-F327 HydrophobicContact CB-CE2 4.46Å; W20-F327 HydrophobicContact CB-CZ 4.44Å; W20-F327 AromaticContact CD2-CE2 3.87Å; W20-F327 HydrophobicContact CD2-CE2 3.87Å; W20-F327 AromaticContact CE3-CD2 3.98Å; W20-F327 HydrophobicContact CE3-CD2 3.98Å; W20-F327 AromaticContact CE3-CE2 3.76Å; W20-F327 HydrophobicContact CE3-CE2 3.76Å; W20-F327 HydrophobicContact CG-CE2 4.17Å; W20-F327 HydrophobicContact CZ3-CD2 4.15Å; W20-F327 HydrophobicContact CZ3-CE2 4.32Å; W20-V329 HydrophobicContact CH2-CB 4.35Å; W20-V329 HydrophobicContact CZ2-CB 3.77Å; W20-V329 HydrophobicContact CZ2-CG1 3.89Å |
| 21 | D | 91.9 | Very high | 89 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 111.1 | 158.4 | -173.8 | -26.9 | 0 | 0 | 0 | 107.4 | L23 G24 G25 N26 V28 R351 | D21-L23 VanDerWaalsContact C-N 3.28Å; D21-L23 PolarHBondContact O-N 2.76Å; D21-L23 PolarHBondContact OD1-N 2.76Å; D21-G24 PolarHBondContact O-N 3.2Å; D21-G24 PolarHBondContact OD1-N 2.8Å; D21-G24 VanDerWaalsContact OD1-N 3.16Å; D21-G25 WeakPolarHBondContact O-CA 3.34Å; D21-G25 PolarHBondContact O-N 2.85Å; D21-N26 PolarHBondContact N-O 3.49Å; D21-V28 HydrophobicContact CB-CG2 3.77Å; D21-R351 IonicContact OD2-NH1 3.79Å |
| 22 | P | 91.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -34.6 | -176 | 24.7 | -32.9 | 0 | 0 | 0 | 112.3 | S3 L5 W20 I314 Q325 | S3-P22 VanDerWaalsContact O-CD 3.3Å; S3-P22 WeakPolarHBondContact O-CD 3.06Å; S3-P22 WeakPolarHBondContact O-CG 3.35Å; L5-P22 HydrophobicContact CB-CB 4.43Å; W20-P22 WeakPolarHBondContact O-CD 3.36Å; P22-I314 HydrophobicContact CB-CD1 3.86Å; P22-I314 HydrophobicContact CB-CG1 4.32Å; P22-I314 WeakPolarHBondContact O-CG1 3.1Å; P22-Q325 WeakPolarHBondContact O-CG 3.05Å |
| 23 | L | 91.1 | Very high | 89.6 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.6 | -178.9 | -59 | -177 | 0 | 0 | 0 | 111.3 | T2 D21 I314 I324 | T2-L23 HydrophobicContact CG2-CD1 3.77Å; D21-L23 VanDerWaalsContact C-N 3.28Å; D21-L23 PolarHBondContact O-N 2.76Å; D21-L23 PolarHBondContact OD1-N 2.76Å; L23-I314 HydrophobicContact CD2-CG2 4.41Å; L23-I324 HydrophobicContact CD2-CG2 3.93Å |
| 24 | G | 90 | Very high | 90.1 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -29.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D21 N26 Q325 | D21-G24 PolarHBondContact O-N 3.2Å; D21-G24 PolarHBondContact OD1-N 2.8Å; D21-G24 VanDerWaalsContact OD1-N 3.16Å; G24-N26 PolarHBondContact O-N 3.24Å; G24-N26 PolarHBondContact O-ND2 3.46Å; G24-Q325 PolarHBondContact O-NE2 3.47Å |
| 25 | G | 90.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 17.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | D21 | D21-G25 WeakPolarHBondContact O-CA 3.34Å; D21-G25 PolarHBondContact O-N 2.85Å |
| 26 | N | 90.6 | Very high | 91 | Very high | 104 Ų | 104 | 36.4 Ų | 36.4 | 56% | 0.556 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.9 | -176.2 | -63.8 | -56.2 | 0 | 0 | 0 | 111 | W20 D21 G24 | W20-N26 WeakPolarHBondContact CA-O 3.29Å; D21-N26 PolarHBondContact N-O 3.49Å; G24-N26 PolarHBondContact O-N 3.24Å; G24-N26 PolarHBondContact O-ND2 3.46Å |
| 27 | P | 90.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 37.3 Ų | 37.3 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.4 | 172.1 | 30.1 | -33 | 0 | 0 | 0 | 109.8 | I18 V19 W20 | I18-P27 HydrophobicContact CG2-CB 3.79Å; V19-P27 CarbonylContact O-C 3.58Å; V19-P27 WeakPolarHBondContact O-CA 3.29Å; W20-P27 HydrophobicContact CD2-CB 4.38Å; W20-P27 HydrophobicContact CE3-CB 4.02Å; W20-P27 HydrophobicContact CE3-CG 4.49Å; W20-P27 HydrophobicContact CH2-CB 4.38Å; W20-P27 HydrophobicContact CZ3-CB 4.02Å; W20-P27 HydrophobicContact CZ3-CG 4.15Å |
| 28 | V | 89.2 | Confident | 91.1 | Very high | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.376 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -31.4 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | V19 D21 L355 | V19-V28 PolarHBondContact O-N 3.5Å; D21-V28 HydrophobicContact CB-CG2 3.77Å; V28-L355 HydrophobicContact CG1-CD1 4.47Å; V28-L355 HydrophobicContact CG1-CD2 4Å |
| 29 | A | 87.5 | Confident | 90.9 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V19 | V19-A29 HydrophobicContact CB-CB 4.08Å; V19-A29 HydrophobicContact CG2-CB 4.25Å; V19-A29 PolarHBondContact N-O 3.45Å; V19-A29 PolarHBondContact O-N 2.92Å |
| 30 | S | 88.5 | Confident | 91 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.9 | 172.4 | -150.5 | 0 | 0 | 0 | 0 | 110.5 | D15 | D15-S30 WeakPolarHBondContact CB-OG 3.35Å; D15-S30 PolarHBondContact OD1-OG 3.06Å; D15-S30 WeakPolarHBondContact OD2-CB 3.41Å; D15-S30 PolarHBondContact OD2-OG 3.22Å |
| 31 | L | 90.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 98.5 | -176.1 | -56.7 | -174.6 | 0 | 0 | 0 | 109 | V6 A16 A17 V19 W61 F63 | V6-L31 HydrophobicContact CG1-CD1 4.36Å; A16-L31 PolarHBondContact N-O 2.7Å; A17-L31 HydrophobicContact CB-CB 4.13Å; A17-L31 HydrophobicContact CB-CD1 4.03Å; A17-L31 HydrophobicContact CB-CG 4.4Å; A17-L31 PolarHBondContact N-O 3.32Å; A17-L31 WeakPolarHBondContact O-CB 3.42Å; A17-L31 PolarHBondContact O-N 2.82Å; V19-L31 HydrophobicContact CG2-CD1 4.16Å; V19-L31 HydrophobicContact CG2-CD2 4.32Å; V19-L31 HydrophobicContact CG2-CG 4.1Å; L31-W61 HydrophobicContact CB-CD2 3.92Å; L31-W61 HydrophobicContact CB-CG 4.15Å; L31-W61 HydrophobicContact CB-CZ2 4.11Å; L31-W61 HydrophobicContact CD1-CB 4.19Å; L31-W61 HydrophobicContact CD1-CD2 3.82Å; L31-W61 HydrophobicContact CD1-CE3 3.91Å; L31-W61 HydrophobicContact CD1-CG 3.93Å; L31-W61 HydrophobicContact CD2-CB 4.21Å; L31-W61 HydrophobicContact CD2-CG 3.97Å; L31-W61 HydrophobicContact CG-CD2 4.31Å; L31-W61 HydrophobicContact CG-CG 4.24Å; L31-F63 HydrophobicContact CD1-CZ 3.97Å; L31-F63 HydrophobicContact CD2-CE1 4.23Å; L31-F63 HydrophobicContact CD2-CZ 3.9Å |
| 32 | S | 90.2 | Very high | 91.2 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 136.3 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | W61 | S32-W61 PolarHBondContact O-NE1 3.14Å |
| 33 | G | 89.3 | Confident | 91 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 168 | -172.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | V14 | V14-G33 PolarHBondContact O-N 2.78Å; V14-G33 VanDerWaalsContact O-O 3.09Å |
| 34 | D | 91.5 | Very high | 90.8 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -73 | 152.8 | 171.4 | -69.7 | -59.9 | 0 | 0 | 0 | 111.8 | A16 A36 A52 K55 Q59 | A16-D34 WeakPolarHBondContact CB-O 3.46Å; D34-A36 PolarHBondContact O-N 3.09Å; D34-A52 HydrophobicContact CB-CB 4.02Å; D34-K55 IonicContact OD1-NZ 3.3Å; D34-K55 PolarHBondContact OD1-NZ 3.38Å; D34-K55 VanDerWaalsContact OD2-CD 3.28Å; D34-K55 WeakPolarHBondContact OD2-CD 3.3Å; D34-K55 WeakPolarHBondContact OD2-CE 3.16Å; D34-K55 IonicContact OD2-NZ 3.69Å; D34-K55 PolarHBondContact OD2-NZ 2.82Å; D34-Q59 PolarHBondContact O-NE2 2.92Å |
| 35 | M | 92.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 126.5 | 174.6 | -178.7 | -177.4 | -71.3 | 0 | 0 | 111.4 | S10 A53 | S10-M35 WeakPolarHBondContact O-CE 3.46Å; M35-A53 WeakPolarHBondContact O-CB 3.25Å; M35-A53 PolarHBondContact O-N 2.85Å |
| 36 | A | 93.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 145.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T8 D34 C50 A51 | T8-A36 HydrophobicContact CG2-CB 3.71Å; D34-A36 PolarHBondContact O-N 3.09Å; A36-C50 HydrophobicContact CB-CB 3.99Å; A36-A51 CarbonylContact C-O 3.59Å; A36-A51 VanDerWaalsContact CA-O 3.3Å; A36-A51 WeakPolarHBondContact CA-O 3.32Å |
| 37 | S | 92.9 | Very high | 89.6 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 148.3 | 167.6 | -171 | 0 | 0 | 0 | 0 | 109.9 | S39 S40 A51 | S37-S39 PolarHBondContact O-N 2.79Å; S37-S40 WeakPolarHBondContact O-CB 3.39Å; S37-S40 PolarHBondContact O-N 2.8Å; S37-S40 PolarHBondContact O-OG 3.27Å; S37-A51 PolarHBondContact N-O 2.92Å |
| 38 | K | 92.2 | Very high | 89.7 | Confident | 99 Ų | 99 | 36.5 Ų | 36.5 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 136.7 | -179.3 | -168.6 | -175 | 179.3 | -159.9 | 0 | 110.9 | S40 Y122 T344 | K38-S40 PolarHBondContact O-N 2.78Å; K38-S40 VanDerWaalsContact O-N 3.13Å; K38-Y122 HydrophobicContact CD-CE2 4.48Å; K38-Y122 WeakPolarHBondContact CE-OH 3.5Å; K38-Y122 PolarHBondContact NZ-OH 3.25Å; K38-Y122 VanDerWaalsContact NZ-OH 3.08Å; K38-T344 CarbonylContact C-O 3.55Å; K38-T344 WeakPolarHBondContact CA-O 3.48Å |
| 39 | S | 90.2 | Very high | 89.9 | Confident | 49 Ų | 49 | 33.5 Ų | 33.5 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.2 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 114.8 | S37 T344 | S37-S39 PolarHBondContact O-N 2.79Å; S39-T344 PolarHBondContact N-O 3.1Å |
| 40 | S | 93.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.028 | 20% | 0.199 | C | C | . | . | trans | -97.6 | -10.4 | -176.2 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | S37 K38 A51 F82 | S37-S40 WeakPolarHBondContact O-CB 3.39Å; S37-S40 PolarHBondContact O-N 2.8Å; S37-S40 PolarHBondContact O-OG 3.27Å; K38-S40 PolarHBondContact O-N 2.78Å; K38-S40 VanDerWaalsContact O-N 3.13Å; S40-A51 PolarHBondContact OG-N 2.97Å; S40-A51 VanDerWaalsContact OG-N 3.1Å; S40-F82 WeakPolarHBondContact O-CE1 3.18Å; S40-F82 VanDerWaalsContact O-CZ 3.26Å; S40-F82 WeakPolarHBondContact O-CZ 3.3Å | ||
| 41 | I | 95 | Very high | 90.6 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | trans | -74.1 | 132.9 | -179.6 | -167.3 | 163.9 | 0 | 0 | 0 | 110.6 | V6 T8 A17 V48 A49 C50 G345 L346 | V6-I41 HydrophobicContact CB-CD1 4.13Å; V6-I41 HydrophobicContact CG1-CD1 3.55Å; T8-I41 HydrophobicContact CG2-CB 4.09Å; T8-I41 HydrophobicContact CG2-CD1 3.46Å; T8-I41 VanDerWaalsContact CG2-CD1 3.46Å; T8-I41 HydrophobicContact CG2-CG1 4.3Å; T8-I41 HydrophobicContact CG2-CG2 4.49Å; A17-I41 HydrophobicContact CB-CD1 4.06Å; I41-V48 HydrophobicContact CD1-CG1 3.72Å; I41-V48 HydrophobicContact CG1-CG1 3.63Å; I41-A49 CarbonylContact C-O 3.57Å; I41-A49 WeakPolarHBondContact CA-O 3.36Å; I41-C50 HydrophobicContact CB-CB 4.21Å; I41-C50 HydrophobicContact CG1-CB 4.38Å; I41-G345 VanDerWaalsContact CG2-C 3.47Å; I41-L346 VanDerWaalsContact CG2-N 3.28Å | ||
| 42 | T | 93.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147.8 | 177.1 | -169 | 0 | 0 | 0 | 0 | 111.2 | V48 A49 F82 F84 | T42-V48 WeakPolarHBondContact O-CA 3.24Å; T42-A49 PolarHBondContact N-O 3.38Å; T42-A49 PolarHBondContact O-N 2.84Å; T42-F82 HydrophobicContact CG2-CD2 4.48Å; T42-F82 HydrophobicContact CG2-CE2 3.63Å; T42-F82 HydrophobicContact CG2-CZ 3.91Å; T42-F84 HydrophobicContact CG2-CD2 4.28Å |
| 43 | G | 89.6 | Confident | 91 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G47 | G43-G47 WeakPolarHBondContact CA-O 3.44Å |
| 44 | Y | 86.4 | Confident | 91.2 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.122 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 142.8 | 173.3 | 75.4 | -84.7 | 0 | 0 | 0 | 108.7 | G46 G47 V48 A49 T60 F84 | Y44-G46 VanDerWaalsContact C-N 3.29Å; Y44-G46 CarbonylContact O-C 3.58Å; Y44-G46 PolarHBondContact O-N 2.72Å; Y44-G47 PolarHBondContact N-O 3.24Å; Y44-G47 CarbonylContact O-C 3.59Å; Y44-G47 VanDerWaalsContact O-CA 3.23Å; Y44-G47 WeakPolarHBondContact O-CA 3.36Å; Y44-G47 PolarHBondContact O-N 2.81Å; Y44-V48 VanDerWaalsContact CE1-N 3.32Å; Y44-V48 WeakPolarHBondContact CE1-O 3.39Å; Y44-A49 HydrophobicContact CD1-CB 3.76Å; Y44-A49 HydrophobicContact CE1-CB 3.93Å; Y44-T60 HydrophobicContact CE1-CG2 4.4Å; Y44-T60 WeakPolarHBondContact OH-CB 3.01Å; Y44-F84 HydrophobicContact CD1-CE2 4.17Å; Y44-F84 HydrophobicContact CG-CD2 4.18Å; Y44-F84 AromaticContact CG-CE2 3.92Å; Y44-F84 HydrophobicContact CG-CE2 3.92Å; Y44-F84 HydrophobicContact CG-CZ 4.36Å |
| 45 | F | 78.8 | Confident | 91.4 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 31.3 | 48 | 161.1 | -57.5 | -57 | 0 | 0 | 0 | 118.6 | F84 T85 P86 I392 | F45-F84 HydrophobicContact CE2-CB 4.15Å; F45-T85 VanDerWaalsContact CZ-O 3.28Å; F45-T85 WeakPolarHBondContact CZ-O 3.32Å; F45-P86 WeakPolarHBondContact CE1-O 3.46Å; F45-P86 WeakPolarHBondContact CZ-O 3.43Å; F45-I392 HydrophobicContact CB-CD1 3.43Å; F45-I392 VanDerWaalsContact CB-CD1 3.43Å; F45-I392 HydrophobicContact CD1-CD1 3.54Å; F45-I392 HydrophobicContact CG-CD1 3.81Å |
| 46 | G | 79.5 | Confident | 91.5 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 28.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y44 F63 N64 | Y44-G46 VanDerWaalsContact C-N 3.29Å; Y44-G46 CarbonylContact O-C 3.58Å; Y44-G46 PolarHBondContact O-N 2.72Å; G46-F63 WeakPolarHBondContact O-CA 3.46Å; G46-F63 VanDerWaalsContact O-CB 3.31Å; G46-F63 WeakPolarHBondContact O-CB 3.45Å; G46-F63 PolarHBondContact O-N 3Å; G46-N64 WeakPolarHBondContact CA-OD1 3.39Å; G46-N64 PolarHBondContact O-N 2.95Å; G46-N64 PolarHBondContact O-OD1 3.27Å |
| 47 | G | 87.3 | Confident | 91.6 | Very high | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 175 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G43 Y44 W61 | G43-G47 WeakPolarHBondContact CA-O 3.44Å; Y44-G47 PolarHBondContact N-O 3.24Å; Y44-G47 CarbonylContact O-C 3.59Å; Y44-G47 VanDerWaalsContact O-CA 3.23Å; Y44-G47 WeakPolarHBondContact O-CA 3.36Å; Y44-G47 PolarHBondContact O-N 2.81Å; G47-W61 CarbonylContact C-O 3.59Å; G47-W61 WeakPolarHBondContact CA-O 3.49Å |
| 48 | V | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.9 | 174 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | V6 I41 T42 Y44 T60 W61 F63 I349 | V6-V48 HydrophobicContact CG1-CG1 4.33Å; V6-V48 HydrophobicContact CG2-CG2 4.09Å; I41-V48 HydrophobicContact CD1-CG1 3.72Å; I41-V48 HydrophobicContact CG1-CG1 3.63Å; T42-V48 WeakPolarHBondContact O-CA 3.24Å; Y44-V48 VanDerWaalsContact CE1-N 3.32Å; Y44-V48 WeakPolarHBondContact CE1-O 3.39Å; V48-T60 WeakPolarHBondContact O-CA 3.5Å; V48-W61 HydrophobicContact CG1-CE3 4.45Å; V48-W61 PolarHBondContact N-O 3Å; V48-W61 PolarHBondContact O-N 2.78Å; V48-F63 HydrophobicContact CB-CE2 3.93Å; V48-F63 HydrophobicContact CG2-CD2 4.34Å; V48-F63 HydrophobicContact CG2-CE2 3.59Å; V48-I349 HydrophobicContact CG2-CD1 4Å; V48-I349 HydrophobicContact CG2-CG2 3.49Å; V48-I349 VanDerWaalsContact CG2-CG2 3.49Å |
| 49 | A | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I41 T42 Y44 I58 Q59 T60 F82 F84 | I41-A49 CarbonylContact C-O 3.57Å; I41-A49 WeakPolarHBondContact CA-O 3.36Å; T42-A49 PolarHBondContact N-O 3.38Å; T42-A49 PolarHBondContact O-N 2.84Å; Y44-A49 HydrophobicContact CD1-CB 3.76Å; Y44-A49 HydrophobicContact CE1-CB 3.93Å; A49-I58 HydrophobicContact CB-CG2 4.09Å; A49-Q59 CarbonylContact C-O 3.52Å; A49-Q59 WeakPolarHBondContact CA-O 3.5Å; A49-T60 HydrophobicContact CB-CG2 3.9Å; A49-F82 HydrophobicContact CB-CE2 3.89Å; A49-F82 HydrophobicContact CB-CZ 3.81Å; A49-F84 HydrophobicContact CB-CE2 3.92Å |
| 50 | C | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.9 | 166.8 | 74 | 0 | 0 | 0 | 0 | 111.1 | A36 I41 I58 Q59 W61 | A36-C50 HydrophobicContact CB-CB 3.99Å; I41-C50 HydrophobicContact CB-CB 4.21Å; I41-C50 HydrophobicContact CG1-CB 4.38Å; C50-I58 CarbonylContact O-C 3.57Å; C50-I58 WeakPolarHBondContact O-CA 3.42Å; C50-Q59 PolarHBondContact N-O 3.41Å; C50-Q59 PolarHBondContact O-N 3.29Å; C50-W61 HydrophobicContact CB-CZ3 4.48Å; C50-W61 VanDerWaalsContact SG-CH2 3.54Å |
| 51 | A | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 142.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A36 S37 S40 V79 F82 | A36-A51 CarbonylContact C-O 3.59Å; A36-A51 VanDerWaalsContact CA-O 3.3Å; A36-A51 WeakPolarHBondContact CA-O 3.32Å; S37-A51 PolarHBondContact N-O 2.92Å; S40-A51 PolarHBondContact OG-N 2.97Å; S40-A51 VanDerWaalsContact OG-N 3.1Å; A51-V79 HydrophobicContact CB-CB 3.69Å; A51-V79 HydrophobicContact CB-CG1 3.78Å; A51-F82 HydrophobicContact CB-CD1 4.32Å; A51-F82 HydrophobicContact CB-CE1 4.1Å |
| 52 | A | 95 | Very high | 91.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 134.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D34 R54 K55 I57 | D34-A52 HydrophobicContact CB-CB 4.02Å; A52-R54 VanDerWaalsContact C-N 3.25Å; A52-R54 PolarHBondContact O-N 2.9Å; A52-K55 HydrophobicContact CB-CB 4.04Å; A52-I57 HydrophobicContact CB-CD1 3.9Å; A52-I57 HydrophobicContact CB-CG1 3.39Å; A52-I57 PolarHBondContact N-O 3.34Å |
| 53 | A | 93.2 | Very high | 90.7 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 31% | 0.314 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -64.4 | -26.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M35 | M35-A53 WeakPolarHBondContact O-CB 3.25Å; M35-A53 PolarHBondContact O-N 2.85Å |
| 54 | R | 93.5 | Very high | 89.9 | Confident | 223 Ų | 223 | 34.9 Ų | 34.9 | 84% | 0.842 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -128.8 | 4.2 | -171.5 | -61.1 | -175 | -179.4 | -138.6 | -1.2 | 114.3 | A52 | A52-R54 VanDerWaalsContact C-N 3.25Å; A52-R54 PolarHBondContact O-N 2.9Å |
| 55 | K | 95.2 | Very high | 89 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -132 | 147.4 | -178 | -67.4 | -177.4 | -168.4 | 162.6 | 0 | 109.4 | D34 A52 I57 | D34-K55 IonicContact OD1-NZ 3.3Å; D34-K55 PolarHBondContact OD1-NZ 3.38Å; D34-K55 VanDerWaalsContact OD2-CD 3.28Å; D34-K55 WeakPolarHBondContact OD2-CD 3.3Å; D34-K55 WeakPolarHBondContact OD2-CE 3.16Å; D34-K55 IonicContact OD2-NZ 3.69Å; D34-K55 PolarHBondContact OD2-NZ 2.82Å; A52-K55 HydrophobicContact CB-CB 4.04Å; K55-I57 HydrophobicContact CB-CD1 4.18Å; K55-I57 HydrophobicContact CB-CG1 3.91Å; K55-I57 HydrophobicContact CD-CD1 4.25Å; K55-I57 PolarHBondContact O-N 2.8Å |
| 56 | P | 95.7 | Very high | 88.3 | Confident | 50 Ų | 50 | 36.6 Ų | 36.6 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -79.2 | 61.5 | 178 | 35.7 | -37 | 0 | 0 | 0 | 110 | L74 T75 G77 | P56-L74 HydrophobicContact CG-CD1 4.48Å; P56-T75 WeakPolarHBondContact CA-OG1 3.27Å; P56-T75 PolarHBondContact O-N 3.02Å; P56-T75 PolarHBondContact O-OG1 3.43Å; P56-G77 WeakPolarHBondContact CA-O 3.37Å; P56-G77 WeakPolarHBondContact CB-O 3.4Å |
| 57 | I | 95.2 | Very high | 87.5 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.9 | -179.9 | 64.9 | 176.4 | 0 | 0 | 0 | 111 | A52 K55 Q59 I73 L74 | A52-I57 HydrophobicContact CB-CD1 3.9Å; A52-I57 HydrophobicContact CB-CG1 3.39Å; A52-I57 PolarHBondContact N-O 3.34Å; K55-I57 HydrophobicContact CB-CD1 4.18Å; K55-I57 HydrophobicContact CB-CG1 3.91Å; K55-I57 HydrophobicContact CD-CD1 4.25Å; K55-I57 PolarHBondContact O-N 2.8Å; I57-Q59 HydrophobicContact CD1-CG 4.1Å; I57-Q59 HydrophobicContact CG1-CG 4.36Å; I57-I73 CarbonylContact C-O 3.49Å; I57-I73 VanDerWaalsContact CA-O 3.24Å; I57-I73 WeakPolarHBondContact CA-O 3.05Å; I57-L74 HydrophobicContact CG2-CD1 4.34Å |
| 58 | I | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.5 | 161.9 | -59.2 | 171.4 | 0 | 0 | 0 | 107.1 | A49 C50 T60 N72 I73 T75 V79 F82 I91 I93 | A49-I58 HydrophobicContact CB-CG2 4.09Å; C50-I58 CarbonylContact O-C 3.57Å; C50-I58 WeakPolarHBondContact O-CA 3.42Å; I58-T60 HydrophobicContact CG2-CG2 4.19Å; I58-N72 CarbonylContact O-C 3.6Å; I58-N72 WeakPolarHBondContact O-CA 3.36Å; I58-I73 HydrophobicContact CB-CB 4.22Å; I58-I73 PolarHBondContact N-O 3.4Å; I58-I73 PolarHBondContact O-N 3.3Å; I58-T75 HydrophobicContact CD1-CG2 4.01Å; I58-T75 HydrophobicContact CG1-CG2 3.94Å; I58-V79 HydrophobicContact CD1-CG2 4.17Å; I58-V79 HydrophobicContact CG1-CG2 3.9Å; I58-F82 HydrophobicContact CD1-CB 4.39Å; I58-F82 HydrophobicContact CD1-CD1 4.22Å; I58-F82 HydrophobicContact CD1-CD2 4.21Å; I58-F82 HydrophobicContact CD1-CG 4.01Å; I58-F82 HydrophobicContact CG2-CE1 4.22Å; I58-F82 HydrophobicContact CG2-CE2 4.1Å; I58-F82 HydrophobicContact CG2-CZ 3.84Å; I58-I91 HydrophobicContact CD1-CD1 3.89Å; I58-I93 HydrophobicContact CD1-CD1 3.89Å; I58-I93 HydrophobicContact CD1-CG1 4.31Å |
| 59 | Q | 93.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.5 | 178.6 | -55.5 | -179.1 | 100.1 | 0 | 0 | 108.7 | D34 A49 C50 I57 W61 | D34-Q59 PolarHBondContact O-NE2 2.92Å; A49-Q59 CarbonylContact C-O 3.52Å; A49-Q59 WeakPolarHBondContact CA-O 3.5Å; C50-Q59 PolarHBondContact N-O 3.41Å; C50-Q59 PolarHBondContact O-N 3.29Å; I57-Q59 HydrophobicContact CD1-CG 4.1Å; I57-Q59 HydrophobicContact CG1-CG 4.36Å; Q59-W61 HydrophobicContact CB-CH2 3.42Å; Q59-W61 VanDerWaalsContact CB-CH2 3.42Å; Q59-W61 HydrophobicContact CB-CZ2 3.89Å; Q59-W61 HydrophobicContact CB-CZ3 3.92Å; Q59-W61 HydrophobicContact CG-CH2 4.42Å |
| 60 | T | 92.6 | Very high | 84.7 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.9 | -177.1 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | Y44 V48 A49 I58 H70 K71 I73 | Y44-T60 HydrophobicContact CE1-CG2 4.4Å; Y44-T60 WeakPolarHBondContact OH-CB 3.01Å; V48-T60 WeakPolarHBondContact O-CA 3.5Å; A49-T60 HydrophobicContact CB-CG2 3.9Å; I58-T60 HydrophobicContact CG2-CG2 4.19Å; T60-H70 WeakPolarHBondContact O-CA 3.43Å; T60-K71 PolarHBondContact N-O 3.38Å; T60-K71 PolarHBondContact O-N 2.83Å; T60-K71 PolarHBondContact OG1-O 2.76Å; T60-I73 HydrophobicContact CG2-CD1 3.87Å; T60-I73 HydrophobicContact CG2-CG1 4.32Å |
| 61 | W | 90.1 | Very high | 84.3 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.8 | 176.4 | -59 | -91.6 | 0 | 0 | 0 | 108.5 | A16 L31 S32 G47 V48 C50 Q59 H70 | A16-W61 HydrophobicContact CB-CH2 3.58Å; A16-W61 HydrophobicContact CB-CZ2 3.7Å; L31-W61 HydrophobicContact CB-CD2 3.92Å; L31-W61 HydrophobicContact CB-CG 4.15Å; L31-W61 HydrophobicContact CB-CZ2 4.11Å; L31-W61 HydrophobicContact CD1-CB 4.19Å; L31-W61 HydrophobicContact CD1-CD2 3.82Å; L31-W61 HydrophobicContact CD1-CE3 3.91Å; L31-W61 HydrophobicContact CD1-CG 3.93Å; L31-W61 HydrophobicContact CD2-CB 4.21Å; L31-W61 HydrophobicContact CD2-CG 3.97Å; L31-W61 HydrophobicContact CG-CD2 4.31Å; L31-W61 HydrophobicContact CG-CG 4.24Å; S32-W61 PolarHBondContact O-NE1 3.14Å; G47-W61 CarbonylContact C-O 3.59Å; G47-W61 WeakPolarHBondContact CA-O 3.49Å; V48-W61 HydrophobicContact CG1-CE3 4.45Å; V48-W61 PolarHBondContact N-O 3Å; V48-W61 PolarHBondContact O-N 2.78Å; C50-W61 HydrophobicContact CB-CZ3 4.48Å; C50-W61 VanDerWaalsContact SG-CH2 3.54Å; Q59-W61 HydrophobicContact CB-CH2 3.42Å; Q59-W61 VanDerWaalsContact CB-CH2 3.42Å; Q59-W61 HydrophobicContact CB-CZ2 3.89Å; Q59-W61 HydrophobicContact CB-CZ3 3.92Å; Q59-W61 HydrophobicContact CG-CH2 4.42Å; W61-H70 AromaticContact CD1-CD2 3.96Å; W61-H70 AromaticContact CE2-CD2 3.5Å; W61-H70 AromaticContact CZ2-CD2 3.79Å; W61-H70 AromaticContact CZ2-NE2 3.96Å; W61-H70 AromaticContact NE1-CD2 3.27Å; W61-H70 PolarHBondContact NE1-CD2 2.73Å; W61-H70 VanDerWaalsContact NE1-CD2 3.27Å; W61-H70 AromaticContact NE1-CG 3.75Å |
| 62 | N | 85.3 | Confident | 84 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.9 | 177.7 | -172.5 | -33.1 | 0 | 0 | 0 | 109.5 | N64 S68 | N62-N64 WeakPolarHBondContact OD1-CB 3.31Å; N62-N64 PolarHBondContact OD1-N 2.88Å; N62-S68 PolarHBondContact N-OG 3.39Å; N62-S68 VanDerWaalsContact O-CA 3.3Å; N62-S68 WeakPolarHBondContact O-CA 3.33Å; N62-S68 WeakPolarHBondContact O-CB 3.18Å; N62-S68 PolarHBondContact O-OG 2.69Å |
| 63 | F | 80 | Confident | 83.8 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | trans | -106.3 | 0.2 | 178.7 | -67.8 | -77.8 | 0 | 0 | 0 | 114.4 | V19 L31 G46 V48 S65 I349 P352 W354 | V19-F63 HydrophobicContact CG2-CE1 4.3Å; V19-F63 HydrophobicContact CG2-CZ 3.96Å; L31-F63 HydrophobicContact CD1-CZ 3.97Å; L31-F63 HydrophobicContact CD2-CE1 4.23Å; L31-F63 HydrophobicContact CD2-CZ 3.9Å; G46-F63 WeakPolarHBondContact O-CA 3.46Å; G46-F63 VanDerWaalsContact O-CB 3.31Å; G46-F63 WeakPolarHBondContact O-CB 3.45Å; G46-F63 PolarHBondContact O-N 3Å; V48-F63 HydrophobicContact CB-CE2 3.93Å; V48-F63 HydrophobicContact CG2-CD2 4.34Å; V48-F63 HydrophobicContact CG2-CE2 3.59Å; F63-S65 PolarHBondContact O-N 3.25Å; F63-I349 HydrophobicContact CD2-CD1 3.86Å; F63-I349 HydrophobicContact CE2-CD1 3.69Å; F63-I349 HydrophobicContact CG-CD1 4.46Å; F63-I349 HydrophobicContact CZ-CD1 4.09Å; F63-P352 HydrophobicContact CB-CB 4.37Å; F63-P352 HydrophobicContact CB-CG 3.61Å; F63-P352 HydrophobicContact CD1-CG 4.22Å; F63-P352 HydrophobicContact CG-CG 4.16Å; F63-W354 PolarHBondContact O-NE1 3.41Å | ||
| 64 | N | 74 | Confident | 83.9 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -64.1 | -18.6 | 176.1 | -63.6 | -20.2 | 0 | 0 | 0 | 112.8 | G46 N62 | G46-N64 WeakPolarHBondContact CA-OD1 3.39Å; G46-N64 PolarHBondContact O-N 2.95Å; G46-N64 PolarHBondContact O-OD1 3.27Å; N62-N64 WeakPolarHBondContact OD1-CB 3.31Å; N62-N64 PolarHBondContact OD1-N 2.88Å |
| 65 | S | 67.3 | Low | 83.9 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -130.8 | 146.6 | 173.2 | 179 | 0 | 0 | 0 | 0 | 110 | F63 T67 S68 | F63-S65 PolarHBondContact O-N 3.25Å; S65-T67 PolarHBondContact O-N 3.03Å; S65-T67 PolarHBondContact OG-N 3.46Å; S65-T67 PolarHBondContact OG-OG1 3.08Å; S65-S68 PolarHBondContact O-N 3.35Å |
| 66 | A | 64.8 | Low | 83.7 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 55% | 0.554 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -58.1 | -26 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S68 W354 | A66-S68 VanDerWaalsContact C-N 3.25Å; A66-S68 PolarHBondContact O-N 2.75Å; A66-S68 VanDerWaalsContact O-N 3.09Å; A66-W354 HydrophobicContact CB-CD2 4.02Å; A66-W354 HydrophobicContact CB-CE3 4.15Å; A66-W354 HydrophobicContact CB-CG 4.33Å |
| 67 | T | 62.5 | Low | 83.6 | Confident | 117 Ų | 117 | 53.2 Ų | 53.2 | 72% | 0.718 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -83.1 | 69.5 | 168.6 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | S65 A69 | S65-T67 PolarHBondContact O-N 3.03Å; S65-T67 PolarHBondContact OG-N 3.46Å; S65-T67 PolarHBondContact OG-OG1 3.08Å; T67-A69 PolarHBondContact O-N 3.49Å |
| 68 | S | 62.4 | Low | 83.6 | Confident | 47 Ų | 47 | 57 Ų | 57 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | trans | -59.1 | 109.4 | 175.6 | -170 | 0 | 0 | 0 | 0 | 109.9 | N62 S65 A66 H70 | N62-S68 PolarHBondContact N-OG 3.39Å; N62-S68 VanDerWaalsContact O-CA 3.3Å; N62-S68 WeakPolarHBondContact O-CA 3.33Å; N62-S68 WeakPolarHBondContact O-CB 3.18Å; N62-S68 PolarHBondContact O-OG 2.69Å; S65-S68 PolarHBondContact O-N 3.35Å; A66-S68 VanDerWaalsContact C-N 3.25Å; A66-S68 PolarHBondContact O-N 2.75Å; A66-S68 VanDerWaalsContact O-N 3.09Å; S68-H70 PolarHBondContact O-N 3.32Å | ||
| 69 | A | 70.3 | Confident | 83.6 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | trans | -85.7 | 105.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | T67 K71 | T67-A69 PolarHBondContact O-N 3.49Å; A69-K71 PolarHBondContact O-N 3.23Å | ||
| 70 | H | 80.9 | Confident | 83.7 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | trans | -60 | 126.6 | 165.6 | 174.7 | -125.7 | 0 | 0 | 0 | 109.8 | T60 W61 S68 N72 | T60-H70 WeakPolarHBondContact O-CA 3.43Å; W61-H70 AromaticContact CD1-CD2 3.96Å; W61-H70 AromaticContact CE2-CD2 3.5Å; W61-H70 AromaticContact CZ2-CD2 3.79Å; W61-H70 AromaticContact CZ2-NE2 3.96Å; W61-H70 AromaticContact NE1-CD2 3.27Å; W61-H70 PolarHBondContact NE1-CD2 2.73Å; W61-H70 VanDerWaalsContact NE1-CD2 3.27Å; W61-H70 AromaticContact NE1-CG 3.75Å; S68-H70 PolarHBondContact O-N 3.32Å; H70-N72 PolarHBondContact NE2-OD1 3.12Å | ||
| 71 | K | 86.4 | Confident | 83.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 27% | 0.265 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.2 | 176.4 | -66.3 | -178.5 | -176.9 | 177.9 | 0 | 110.4 | T60 A69 F395 | T60-K71 PolarHBondContact N-O 3.38Å; T60-K71 PolarHBondContact O-N 2.83Å; T60-K71 PolarHBondContact OG1-O 2.76Å; A69-K71 PolarHBondContact O-N 3.23Å; K71-F395 HydrophobicContact CD-CD1 4.38Å; K71-F395 PolarHBondContact NZ-O 3.25Å |
| 72 | N | 91 | Very high | 84.1 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131 | 173.7 | -71 | -20.3 | 0 | 0 | 0 | 110.2 | I58 H70 | I58-N72 CarbonylContact O-C 3.6Å; I58-N72 WeakPolarHBondContact O-CA 3.36Å; H70-N72 PolarHBondContact NE2-OD1 3.12Å |
| 73 | I | 91.5 | Very high | 84.5 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.4 | 167.5 | -56.3 | 171.5 | 0 | 0 | 0 | 106.7 | I57 I58 T60 | I57-I73 CarbonylContact C-O 3.49Å; I57-I73 VanDerWaalsContact CA-O 3.24Å; I57-I73 WeakPolarHBondContact CA-O 3.05Å; I58-I73 HydrophobicContact CB-CB 4.22Å; I58-I73 PolarHBondContact N-O 3.4Å; I58-I73 PolarHBondContact O-N 3.3Å; T60-I73 HydrophobicContact CG2-CD1 3.87Å; T60-I73 HydrophobicContact CG2-CG1 4.32Å |
| 74 | L | 93.4 | Very high | 85.1 | Confident | 140 Ų | 140 | 57.9 Ų | 57.9 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 132.9 | 174.4 | -176.9 | 68.7 | 0 | 0 | 0 | 109.7 | P56 I57 | P56-L74 HydrophobicContact CG-CD1 4.48Å; I57-L74 HydrophobicContact CG2-CD1 4.34Å |
| 75 | T | 93.6 | Very high | 85.9 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | trans | -116.7 | 162.7 | -178.6 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | P56 I58 G77 V79 I93 F95 | P56-T75 WeakPolarHBondContact CA-OG1 3.27Å; P56-T75 PolarHBondContact O-N 3.02Å; P56-T75 PolarHBondContact O-OG1 3.43Å; I58-T75 HydrophobicContact CD1-CG2 4.01Å; I58-T75 HydrophobicContact CG1-CG2 3.94Å; T75-G77 PolarHBondContact O-N 3.19Å; T75-G77 PolarHBondContact OG1-O 3.21Å; T75-V79 HydrophobicContact CG2-CG2 3.75Å; T75-I93 HydrophobicContact CG2-CD1 4.38Å; T75-F95 HydrophobicContact CG2-CE1 4.37Å; T75-F95 HydrophobicContact CG2-CZ 4.39Å | ||
| 76 | K | 91.3 | Very high | 86.8 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 61% | 0.609 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -59.5 | -31.1 | 179.8 | -175 | -172.7 | 176.4 | -165.8 | 0 | 112.8 | F95 Y100 | K76-F95 HydrophobicContact CB-CD2 4.35Å; K76-F95 HydrophobicContact CB-CE2 3.97Å; K76-F95 HydrophobicContact CB-CZ 4.06Å; K76-Y100 HydrophobicContact CD-CE1 4.16Å; K76-Y100 PolarHBondContact NZ-OH 3.21Å |
| 77 | G | 93.6 | Very high | 87.7 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -163.9 | -167.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P56 T75 V79 F95 | P56-G77 WeakPolarHBondContact CA-O 3.37Å; P56-G77 WeakPolarHBondContact CB-O 3.4Å; T75-G77 PolarHBondContact O-N 3.19Å; T75-G77 PolarHBondContact OG1-O 3.21Å; G77-V79 PolarHBondContact O-N 3.04Å; G77-F95 WeakPolarHBondContact O-CE1 3.15Å |
| 78 | L | 95.6 | Very high | 88.8 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 52% | 0.518 | 27% | 0.274 | S | S | . | . | trans | -63.5 | 125.7 | 176.5 | -64.5 | 178.4 | 0 | 0 | 0 | 110.4 | ||||
| 79 | V | 96.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.7 | 179.8 | 178 | 0 | 0 | 0 | 0 | 109.1 | A51 I58 T75 G77 F82 I93 F95 | A51-V79 HydrophobicContact CB-CB 3.69Å; A51-V79 HydrophobicContact CB-CG1 3.78Å; I58-V79 HydrophobicContact CD1-CG2 4.17Å; I58-V79 HydrophobicContact CG1-CG2 3.9Å; T75-V79 HydrophobicContact CG2-CG2 3.75Å; G77-V79 PolarHBondContact O-N 3.04Å; V79-F82 HydrophobicContact CG1-CB 4.12Å; V79-F82 HydrophobicContact CG1-CD1 3.78Å; V79-F82 HydrophobicContact CG1-CG 4.36Å; V79-I93 HydrophobicContact CB-CG2 4.39Å; V79-I93 HydrophobicContact CG1-CG2 3.86Å; V79-I93 HydrophobicContact CG2-CG2 3.81Å; V79-F95 HydrophobicContact CG2-CD1 4.4Å; V79-F95 HydrophobicContact CG2-CE1 3.77Å |
| 80 | S | 94.5 | Very high | 90.8 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -43.2 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 112 | A94 I121 | S80-A94 PolarHBondContact N-O 3.04Å; S80-A94 VanDerWaalsContact OG-C 3.31Å; S80-A94 WeakPolarHBondContact OG-CB 3.28Å; S80-A94 PolarHBondContact OG-O 3.18Å; S80-I121 VanDerWaalsContact CB-O 3.25Å; S80-I121 WeakPolarHBondContact CB-O 3.39Å; S80-I121 PolarHBondContact OG-O 2.79Å |
| 81 | A | 94.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | A94 I121 M124 | A81-A94 HydrophobicContact CB-CB 4.29Å; A81-A94 WeakPolarHBondContact O-CB 3.33Å; A81-A94 PolarHBondContact O-N 2.85Å; A81-I121 HydrophobicContact CB-CG2 4.42Å; A81-M124 HydrophobicContact CB-CE 4.03Å; A81-M124 HydrophobicContact CB-CG 4.3Å; A81-M124 WeakPolarHBondContact O-CE 3.2Å |
| 82 | F | 96.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 159.9 | 169.7 | 72.1 | -81.7 | 0 | 0 | 0 | 110.9 | S40 T42 A49 A51 I58 V79 F84 I91 I92 I93 M124 | S40-F82 WeakPolarHBondContact O-CE1 3.18Å; S40-F82 VanDerWaalsContact O-CZ 3.26Å; S40-F82 WeakPolarHBondContact O-CZ 3.3Å; T42-F82 HydrophobicContact CG2-CD2 4.48Å; T42-F82 HydrophobicContact CG2-CE2 3.63Å; T42-F82 HydrophobicContact CG2-CZ 3.91Å; A49-F82 HydrophobicContact CB-CE2 3.89Å; A49-F82 HydrophobicContact CB-CZ 3.81Å; A51-F82 HydrophobicContact CB-CD1 4.32Å; A51-F82 HydrophobicContact CB-CE1 4.1Å; I58-F82 HydrophobicContact CD1-CB 4.39Å; I58-F82 HydrophobicContact CD1-CD1 4.22Å; I58-F82 HydrophobicContact CD1-CD2 4.21Å; I58-F82 HydrophobicContact CD1-CG 4.01Å; I58-F82 HydrophobicContact CG2-CE1 4.22Å; I58-F82 HydrophobicContact CG2-CE2 4.1Å; I58-F82 HydrophobicContact CG2-CZ 3.84Å; V79-F82 HydrophobicContact CG1-CB 4.12Å; V79-F82 HydrophobicContact CG1-CD1 3.78Å; V79-F82 HydrophobicContact CG1-CG 4.36Å; F82-F84 HydrophobicContact CD2-CE2 4.28Å; F82-F84 HydrophobicContact CE2-CD2 4.27Å; F82-F84 AromaticContact CE2-CE2 3.78Å; F82-F84 HydrophobicContact CE2-CE2 3.78Å; F82-I91 HydrophobicContact CD2-CD1 4.11Å; F82-I91 HydrophobicContact CD2-CG1 4.42Å; F82-I92 CarbonylContact C-O 3.57Å; F82-I92 WeakPolarHBondContact CA-O 3.43Å; F82-I92 WeakPolarHBondContact CB-O 3.47Å; F82-I93 HydrophobicContact CB-CB 4.42Å; F82-I93 HydrophobicContact CB-CG1 4.21Å; F82-I93 HydrophobicContact CB-CG2 4.35Å; F82-M124 VanDerWaalsContact CA-CE 3.47Å |
| 83 | I | 94.9 | Very high | 92.1 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.6 | 176 | -172.9 | 160.3 | 0 | 0 | 0 | 110 | I92 M124 L126 L137 | I83-I92 HydrophobicContact CG2-CB 3.88Å; I83-I92 HydrophobicContact CG2-CD1 4.3Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; I83-I92 PolarHBondContact N-O 2.83Å; I83-I92 PolarHBondContact O-N 3.22Å; I83-M124 HydrophobicContact CG2-CE 4.48Å; I83-L126 HydrophobicContact CD1-CB 4.19Å; I83-L126 HydrophobicContact CD1-CD1 3.92Å; I83-L126 HydrophobicContact CD1-CG 3.89Å; I83-L126 HydrophobicContact CG1-CD1 3.95Å; I83-L126 HydrophobicContact CG1-CG 4.36Å; I83-L126 HydrophobicContact CG2-CD1 4.15Å; I83-L126 HydrophobicContact CG2-CG 4.18Å; I83-L137 HydrophobicContact CG2-CD1 4.3Å |
| 84 | F | 91.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.9 | 167.3 | -69.8 | -81.8 | 0 | 0 | 0 | 109.7 | T42 Y44 F45 A49 F82 I91 T104 | T42-F84 HydrophobicContact CG2-CD2 4.28Å; Y44-F84 HydrophobicContact CD1-CE2 4.17Å; Y44-F84 HydrophobicContact CG-CD2 4.18Å; Y44-F84 AromaticContact CG-CE2 3.92Å; Y44-F84 HydrophobicContact CG-CE2 3.92Å; Y44-F84 HydrophobicContact CG-CZ 4.36Å; F45-F84 HydrophobicContact CE2-CB 4.15Å; A49-F84 HydrophobicContact CB-CE2 3.92Å; F82-F84 HydrophobicContact CD2-CE2 4.28Å; F82-F84 HydrophobicContact CE2-CD2 4.27Å; F82-F84 AromaticContact CE2-CE2 3.78Å; F82-F84 HydrophobicContact CE2-CE2 3.78Å; F84-I91 HydrophobicContact CD1-CB 3.9Å; F84-I91 HydrophobicContact CD1-CD1 4.29Å; F84-I91 HydrophobicContact CD1-CG1 4.01Å; F84-I91 HydrophobicContact CE1-CB 3.87Å; F84-I91 HydrophobicContact CE1-CD1 3.62Å; F84-I91 HydrophobicContact CE1-CG1 3.84Å; F84-I91 HydrophobicContact CE2-CD1 4.32Å; F84-I91 HydrophobicContact CZ-CD1 3.64Å; F84-I91 HydrophobicContact CZ-CG1 4.24Å; F84-T104 HydrophobicContact CE1-CG2 4.41Å |
| 85 | T | 90.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -67.7 | 144.7 | 168.8 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | F45 D87 G88 N89 Y90 I92 L126 W129 | F45-T85 VanDerWaalsContact CZ-O 3.28Å; F45-T85 WeakPolarHBondContact CZ-O 3.32Å; T85-D87 WeakPolarHBondContact CB-OD1 3.04Å; T85-D87 PolarHBondContact O-N 3.39Å; T85-D87 VanDerWaalsContact O-N 3.1Å; T85-D87 PolarHBondContact OG1-OD1 3.18Å; T85-G88 WeakPolarHBondContact O-CA 3.46Å; T85-G88 PolarHBondContact O-N 2.88Å; T85-N89 PolarHBondContact OG1-N 2.77Å; T85-Y90 HydrophobicContact CG2-CD2 4.28Å; T85-Y90 HydrophobicContact CG2-CG 4.49Å; T85-Y90 PolarHBondContact N-O 3.48Å; T85-Y90 PolarHBondContact OG1-N 3.01Å; T85-Y90 PolarHBondContact OG1-O 3.45Å; T85-I92 HydrophobicContact CG2-CD1 4.48Å; T85-L126 HydrophobicContact CG2-CD1 3.99Å; T85-W129 HydrophobicContact CG2-CD2 4.42Å; T85-W129 HydrophobicContact CG2-CE3 4.02Å; T85-W129 HydrophobicContact CG2-CH2 3.3Å; T85-W129 HydrophobicContact CG2-CZ2 3.82Å; T85-W129 HydrophobicContact CG2-CZ3 3.44Å; T85-W129 VanDerWaalsContact CG2-CZ3 3.44Å | ||
| 86 | P | 86.5 | Confident | 92.2 | Very high | 86 Ų | 86 | 33.5 Ų | 33.5 | 56% | 0.558 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.6 | -177.8 | -31.3 | 38.5 | 0 | 0 | 0 | 115.3 | F45 W129 | F45-P86 WeakPolarHBondContact CE1-O 3.46Å; F45-P86 WeakPolarHBondContact CZ-O 3.43Å; P86-W129 HydrophobicContact CB-CB 4.12Å; P86-W129 HydrophobicContact CB-CG 4.46Å; P86-W129 HydrophobicContact CG-CB 3.58Å; P86-W129 HydrophobicContact CG-CG 4.19Å |
| 87 | D | 83.3 | Confident | 92.3 | Very high | 63 Ų | 63 | 33 Ų | 33 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13 | 174.6 | 66.7 | -5.1 | 0 | 0 | 0 | 114.2 | T85 N89 W129 | T85-D87 WeakPolarHBondContact CB-OD1 3.04Å; T85-D87 PolarHBondContact O-N 3.39Å; T85-D87 VanDerWaalsContact O-N 3.1Å; T85-D87 PolarHBondContact OG1-OD1 3.18Å; D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 2.81Å; D87-N89 PolarHBondContact OD1-N 3.13Å; D87-N89 VanDerWaalsContact OD1-N 3.09Å; D87-N89 PolarHBondContact OD2-ND2 3.16Å; D87-W129 WeakPolarHBondContact OD2-CZ2 3.31Å; D87-W129 PolarHBondContact OD2-NE1 3.08Å |
| 88 | G | 86 | Confident | 92.3 | Very high | 11 Ų | 11 | 35 Ų | 35 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 79.8 | 3.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T85 Y90 T104 | T85-G88 WeakPolarHBondContact O-CA 3.46Å; T85-G88 PolarHBondContact O-N 2.88Å; G88-Y90 VanDerWaalsContact C-N 3.29Å; G88-Y90 PolarHBondContact O-N 2.92Å; G88-T104 WeakPolarHBondContact O-CB 3.36Å; G88-T104 PolarHBondContact O-OG1 3.34Å |
| 89 | N | 86 | Confident | 92.3 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -73.7 | -25.3 | -177.6 | -68.9 | -40.9 | 0 | 0 | 0 | 112.4 | T85 D87 Q103 T104 | T85-N89 PolarHBondContact OG1-N 2.77Å; D87-N89 VanDerWaalsContact C-N 3.26Å; D87-N89 PolarHBondContact O-N 2.81Å; D87-N89 PolarHBondContact OD1-N 3.13Å; D87-N89 VanDerWaalsContact OD1-N 3.09Å; D87-N89 PolarHBondContact OD2-ND2 3.16Å; N89-Q103 CarbonylContact O-C 3.46Å; N89-Q103 WeakPolarHBondContact O-CA 3.04Å; N89-T104 PolarHBondContact O-N 3.48Å; N89-T104 PolarHBondContact O-OG1 3Å |
| 90 | Y | 89.4 | Confident | 92.2 | Very high | 18 Ų | 18 | 31 Ų | 31 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.4 | -177.7 | -52.1 | -84.3 | 0 | 0 | 0 | 113.3 | T85 G88 V101 Y102 Q103 T104 V110 W129 I155 | T85-Y90 HydrophobicContact CG2-CD2 4.28Å; T85-Y90 HydrophobicContact CG2-CG 4.49Å; T85-Y90 PolarHBondContact N-O 3.48Å; T85-Y90 PolarHBondContact OG1-N 3.01Å; T85-Y90 PolarHBondContact OG1-O 3.45Å; G88-Y90 VanDerWaalsContact C-N 3.29Å; G88-Y90 PolarHBondContact O-N 2.92Å; Y90-V101 HydrophobicContact CD1-CG1 4.25Å; Y90-Y102 CarbonylContact C-O 3.54Å; Y90-Y102 WeakPolarHBondContact CA-O 3.45Å; Y90-Y102 WeakPolarHBondContact CB-O 3.46Å; Y90-Q103 HydrophobicContact CD1-CB 4.33Å; Y90-Q103 HydrophobicContact CE1-CB 4.31Å; Y90-Q103 HydrophobicContact CE1-CG 4.49Å; Y90-T104 WeakPolarHBondContact CA-OG1 3.25Å; Y90-T104 PolarHBondContact N-OG1 2.85Å; Y90-V110 HydrophobicContact CD1-CG2 3.98Å; Y90-V110 HydrophobicContact CE1-CG2 3.78Å; Y90-W129 HydrophobicContact CD2-CH2 4.04Å; Y90-W129 HydrophobicContact CD2-CZ2 4.04Å; Y90-W129 HydrophobicContact CE2-CZ2 4.34Å; Y90-I155 HydrophobicContact CD2-CG1 4.41Å; Y90-I155 HydrophobicContact CE2-CB 4.46Å; Y90-I155 HydrophobicContact CE2-CG1 4.1Å; Y90-I155 HydrophobicContact CE2-CG2 3.7Å |
| 91 | I | 92.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.8 | 164.7 | -171.9 | 179.4 | 0 | 0 | 0 | 108.5 | I58 F82 F84 I93 Y102 T104 | I58-I91 HydrophobicContact CD1-CD1 3.89Å; F82-I91 HydrophobicContact CD2-CD1 4.11Å; F82-I91 HydrophobicContact CD2-CG1 4.42Å; F84-I91 HydrophobicContact CD1-CB 3.9Å; F84-I91 HydrophobicContact CD1-CD1 4.29Å; F84-I91 HydrophobicContact CD1-CG1 4.01Å; F84-I91 HydrophobicContact CE1-CB 3.87Å; F84-I91 HydrophobicContact CE1-CD1 3.62Å; F84-I91 HydrophobicContact CE1-CG1 3.84Å; F84-I91 HydrophobicContact CE2-CD1 4.32Å; F84-I91 HydrophobicContact CZ-CD1 3.64Å; F84-I91 HydrophobicContact CZ-CG1 4.24Å; I91-I93 HydrophobicContact CD1-CD1 3.95Å; I91-I93 HydrophobicContact CD1-CG1 3.98Å; I91-I93 HydrophobicContact CG1-CD1 4.24Å; I91-I93 HydrophobicContact CG1-CG1 3.84Å; I91-I93 HydrophobicContact CG2-CD1 4.28Å; I91-I93 HydrophobicContact CG2-CG1 4.45Å; I91-Y102 HydrophobicContact CG2-CD2 4.5Å; I91-Y102 PolarHBondContact N-O 2.73Å; I91-Y102 PolarHBondContact O-N 2.99Å; I91-T104 PolarHBondContact N-OG1 2.67Å |
| 92 | I | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.2 | 179.9 | -56.5 | 175 | 0 | 0 | 0 | 106.9 | F82 I83 T85 I99 Y100 V101 M124 L126 L137 L151 | F82-I92 CarbonylContact C-O 3.57Å; F82-I92 WeakPolarHBondContact CA-O 3.43Å; F82-I92 WeakPolarHBondContact CB-O 3.47Å; I83-I92 HydrophobicContact CG2-CB 3.88Å; I83-I92 HydrophobicContact CG2-CD1 4.3Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; I83-I92 PolarHBondContact N-O 2.83Å; I83-I92 PolarHBondContact O-N 3.22Å; T85-I92 HydrophobicContact CG2-CD1 4.48Å; I92-I99 HydrophobicContact CG2-CG2 3.24Å; I92-Y100 CarbonylContact C-O 3.58Å; I92-Y100 WeakPolarHBondContact CA-O 3.25Å; I92-V101 HydrophobicContact CG1-CG1 4.26Å; I92-V101 HydrophobicContact CG1-CG2 4.23Å; I92-V101 HydrophobicContact CG2-CG2 4.36Å; I92-M124 HydrophobicContact CG2-CE 4.19Å; I92-M124 HydrophobicContact CG2-SD 4.09Å; I92-M124 WeakPolarHBondContact O-CE 3.4Å; I92-L126 HydrophobicContact CD1-CD2 3.82Å; I92-L137 HydrophobicContact CD1-CD1 4.13Å; I92-L137 HydrophobicContact CG2-CD1 4.33Å; I92-L137 HydrophobicContact CG2-CD2 3.83Å; I92-L151 HydrophobicContact CD1-CD1 3.69Å; I92-L151 HydrophobicContact CD1-CD2 4.47Å |
| 93 | I | 96.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.2 | -170.6 | -50.7 | 177.9 | 0 | 0 | 0 | 109.6 | I58 T75 V79 F82 I91 F95 I99 Y100 Y102 | I58-I93 HydrophobicContact CD1-CD1 3.89Å; I58-I93 HydrophobicContact CD1-CG1 4.31Å; T75-I93 HydrophobicContact CG2-CD1 4.38Å; V79-I93 HydrophobicContact CB-CG2 4.39Å; V79-I93 HydrophobicContact CG1-CG2 3.86Å; V79-I93 HydrophobicContact CG2-CG2 3.81Å; F82-I93 HydrophobicContact CB-CB 4.42Å; F82-I93 HydrophobicContact CB-CG1 4.21Å; F82-I93 HydrophobicContact CB-CG2 4.35Å; I91-I93 HydrophobicContact CD1-CD1 3.95Å; I91-I93 HydrophobicContact CD1-CG1 3.98Å; I91-I93 HydrophobicContact CG1-CD1 4.24Å; I91-I93 HydrophobicContact CG1-CG1 3.84Å; I91-I93 HydrophobicContact CG2-CD1 4.28Å; I91-I93 HydrophobicContact CG2-CG1 4.45Å; I93-F95 HydrophobicContact CB-CE2 4.28Å; I93-F95 HydrophobicContact CB-CZ 4.1Å; I93-F95 HydrophobicContact CD1-CZ 4.49Å; I93-F95 HydrophobicContact CG2-CD1 4.25Å; I93-F95 HydrophobicContact CG2-CE1 3.59Å; I93-F95 HydrophobicContact CG2-CE2 3.98Å; I93-F95 HydrophobicContact CG2-CZ 3.42Å; I93-F95 VanDerWaalsContact CG2-CZ 3.42Å; I93-I99 CarbonylContact O-C 3.51Å; I93-I99 WeakPolarHBondContact O-CA 3.44Å; I93-Y100 PolarHBondContact N-O 3.19Å; I93-Y100 PolarHBondContact O-N 3.36Å; I93-Y102 HydrophobicContact CB-CE2 4.47Å; I93-Y102 HydrophobicContact CD1-CD2 3.82Å; I93-Y102 HydrophobicContact CD1-CE2 3.92Å; I93-Y102 HydrophobicContact CG1-CD2 4.21Å; I93-Y102 HydrophobicContact CG1-CE2 4.4Å |
| 94 | A | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S80 A81 E98 I99 I121 M124 | S80-A94 PolarHBondContact N-O 3.04Å; S80-A94 VanDerWaalsContact OG-C 3.31Å; S80-A94 WeakPolarHBondContact OG-CB 3.28Å; S80-A94 PolarHBondContact OG-O 3.18Å; A81-A94 HydrophobicContact CB-CB 4.29Å; A81-A94 WeakPolarHBondContact O-CB 3.33Å; A81-A94 PolarHBondContact O-N 2.85Å; A94-E98 CarbonylContact C-O 3.53Å; A94-E98 WeakPolarHBondContact CA-O 3.18Å; A94-I99 HydrophobicContact CB-CG1 4.37Å; A94-I121 HydrophobicContact CB-CB 3.9Å; A94-I121 HydrophobicContact CB-CD1 3.96Å; A94-I121 HydrophobicContact CB-CG2 3.73Å; A94-M124 HydrophobicContact CB-CE 3.93Å; A94-M124 HydrophobicContact CB-SD 4Å |
| 95 | F | 94 | Very high | 90.6 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.7 | 172 | -57.1 | -64.2 | 0 | 0 | 0 | 109.5 | T75 K76 G77 V79 I93 R97 E98 Y100 Y102 | T75-F95 HydrophobicContact CG2-CE1 4.37Å; T75-F95 HydrophobicContact CG2-CZ 4.39Å; K76-F95 HydrophobicContact CB-CD2 4.35Å; K76-F95 HydrophobicContact CB-CE2 3.97Å; K76-F95 HydrophobicContact CB-CZ 4.06Å; G77-F95 WeakPolarHBondContact O-CE1 3.15Å; V79-F95 HydrophobicContact CG2-CD1 4.4Å; V79-F95 HydrophobicContact CG2-CE1 3.77Å; I93-F95 HydrophobicContact CB-CE2 4.28Å; I93-F95 HydrophobicContact CB-CZ 4.1Å; I93-F95 HydrophobicContact CD1-CZ 4.49Å; I93-F95 HydrophobicContact CG2-CD1 4.25Å; I93-F95 HydrophobicContact CG2-CE1 3.59Å; I93-F95 HydrophobicContact CG2-CE2 3.98Å; I93-F95 HydrophobicContact CG2-CZ 3.42Å; I93-F95 VanDerWaalsContact CG2-CZ 3.42Å; F95-R97 PolarHBondContact O-N 2.94Å; F95-E98 PolarHBondContact N-O 3.28Å; F95-E98 PolarHBondContact O-N 2.75Å; F95-E98 VanDerWaalsContact O-N 3.09Å; F95-Y100 AromaticContact CD2-CD2 3.41Å; F95-Y100 HydrophobicContact CD2-CD2 3.41Å; F95-Y100 VanDerWaalsContact CD2-CD2 3.41Å; F95-Y100 AromaticContact CD2-CE2 3.78Å; F95-Y100 HydrophobicContact CD2-CE2 3.78Å; F95-Y100 AromaticContact CD2-CG 3.95Å; F95-Y100 HydrophobicContact CD2-CG 3.95Å; F95-Y100 AromaticContact CE2-CD2 3.89Å; F95-Y100 HydrophobicContact CE2-CD2 3.89Å; F95-Y100 AromaticContact CE2-CG 3.93Å; F95-Y100 HydrophobicContact CE2-CG 3.93Å; F95-Y102 HydrophobicContact CE2-CE2 4.31Å |
| 96 | D | 92.1 | Very high | 90.2 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -96.3 | -172.6 | -164.1 | 45.9 | 0 | 0 | 0 | 112.3 | R120 I121 | D96-R120 CarbonylContact O-C 3.54Å; D96-R120 WeakPolarHBondContact O-CA 3.39Å; D96-R120 IonicContact OD1-NE 2.76Å; D96-I121 PolarHBondContact O-N 2.84Å |
| 97 | R | 93.5 | Very high | 90 | Very high | 129 Ų | 129 | 40 Ų | 40 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -6.4 | -175.3 | -77.3 | 169.3 | -95.8 | -168.2 | -4.1 | 114.5 | F95 A119 | F95-R97 PolarHBondContact O-N 2.94Å; R97-A119 WeakPolarHBondContact CG-O 3.48Å |
| 98 | E | 93.8 | Very high | 90.2 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 31% | 0.308 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144.5 | -173.8 | -62.6 | 176.9 | 169.9 | 0 | 0 | 110.3 | A94 F95 Y100 | A94-E98 CarbonylContact C-O 3.53Å; A94-E98 WeakPolarHBondContact CA-O 3.18Å; F95-E98 PolarHBondContact N-O 3.28Å; F95-E98 PolarHBondContact O-N 2.75Å; F95-E98 VanDerWaalsContact O-N 3.09Å; E98-Y100 HydrophobicContact CB-CD2 4.22Å; E98-Y100 HydrophobicContact CB-CE2 3.57Å; E98-Y100 HydrophobicContact CG-CE2 4.5Å; E98-Y100 VanDerWaalsContact OE2-CE2 3.24Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.49Å; E98-Y100 PolarHBondContact OE2-OH 3.21Å |
| 99 | I | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.7 | 175.7 | -51.3 | 169.3 | 0 | 0 | 0 | 109 | I92 I93 A94 V112 L113 I121 M124 L137 W149 | I92-I99 HydrophobicContact CG2-CG2 3.24Å; I93-I99 CarbonylContact O-C 3.51Å; I93-I99 WeakPolarHBondContact O-CA 3.44Å; A94-I99 HydrophobicContact CB-CG1 4.37Å; I99-V112 CarbonylContact O-C 3.5Å; I99-V112 WeakPolarHBondContact O-CA 3.43Å; I99-L113 HydrophobicContact CB-CB 4.06Å; I99-L113 HydrophobicContact CB-CD1 4.19Å; I99-L113 HydrophobicContact CB-CG 4.44Å; I99-L113 HydrophobicContact CD1-CD1 4.33Å; I99-L113 HydrophobicContact CG2-CD1 4.11Å; I99-L113 PolarHBondContact N-O 3.07Å; I99-L113 PolarHBondContact O-N 2.92Å; I99-I121 HydrophobicContact CD1-CD1 3.84Å; I99-I121 HydrophobicContact CG1-CD1 3.33Å; I99-M124 HydrophobicContact CD1-SD 3.96Å; I99-M124 HydrophobicContact CG1-SD 4.1Å; I99-M124 HydrophobicContact CG2-SD 3.84Å; I99-L137 HydrophobicContact CD1-CD2 3.88Å; I99-L137 HydrophobicContact CG2-CD2 4.02Å; I99-W149 HydrophobicContact CD1-CZ2 4.25Å |
| 100 | Y | 93.7 | Very high | 90.5 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132 | -179.9 | -72.4 | -113.4 | 0 | 0 | 0 | 108.8 | K76 I92 I93 F95 E98 Y102 L109 V112 | K76-Y100 HydrophobicContact CD-CE1 4.16Å; K76-Y100 PolarHBondContact NZ-OH 3.21Å; I92-Y100 CarbonylContact C-O 3.58Å; I92-Y100 WeakPolarHBondContact CA-O 3.25Å; I93-Y100 PolarHBondContact N-O 3.19Å; I93-Y100 PolarHBondContact O-N 3.36Å; F95-Y100 AromaticContact CD2-CD2 3.41Å; F95-Y100 HydrophobicContact CD2-CD2 3.41Å; F95-Y100 VanDerWaalsContact CD2-CD2 3.41Å; F95-Y100 AromaticContact CD2-CE2 3.78Å; F95-Y100 HydrophobicContact CD2-CE2 3.78Å; F95-Y100 AromaticContact CD2-CG 3.95Å; F95-Y100 HydrophobicContact CD2-CG 3.95Å; F95-Y100 AromaticContact CE2-CD2 3.89Å; F95-Y100 HydrophobicContact CE2-CD2 3.89Å; F95-Y100 AromaticContact CE2-CG 3.93Å; F95-Y100 HydrophobicContact CE2-CG 3.93Å; E98-Y100 HydrophobicContact CB-CD2 4.22Å; E98-Y100 HydrophobicContact CB-CE2 3.57Å; E98-Y100 HydrophobicContact CG-CE2 4.5Å; E98-Y100 VanDerWaalsContact OE2-CE2 3.24Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.49Å; E98-Y100 PolarHBondContact OE2-OH 3.21Å; Y100-Y102 HydrophobicContact CD1-CE2 4.48Å; Y100-Y102 WeakPolarHBondContact CD1-OH 3.3Å; Y100-Y102 HydrophobicContact CG-CE2 4.27Å; Y100-L109 HydrophobicContact CD1-CD1 3.64Å; Y100-L109 HydrophobicContact CD1-CD2 4.18Å; Y100-L109 HydrophobicContact CE1-CD2 4.38Å; Y100-L109 HydrophobicContact CG-CD1 4.31Å; Y100-V112 HydrophobicContact CD1-CG2 3.71Å; Y100-V112 HydrophobicContact CD2-CG1 4.31Å; Y100-V112 HydrophobicContact CE1-CG1 4.35Å; Y100-V112 HydrophobicContact CE1-CG2 3.54Å; Y100-V112 HydrophobicContact CE2-CG1 4Å; Y100-V112 HydrophobicContact CG-CG2 4.29Å |
| 101 | V | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.2 | 176 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | Y90 I92 L109 V110 G111 L154 | Y90-V101 HydrophobicContact CD1-CG1 4.25Å; I92-V101 HydrophobicContact CG1-CG1 4.26Å; I92-V101 HydrophobicContact CG1-CG2 4.23Å; I92-V101 HydrophobicContact CG2-CG2 4.36Å; V101-L109 WeakPolarHBondContact O-CD1 3.29Å; V101-V110 HydrophobicContact CB-CB 4.35Å; V101-V110 HydrophobicContact CG1-CB 4.16Å; V101-V110 HydrophobicContact CG1-CG1 4.47Å; V101-V110 WeakPolarHBondContact O-CA 3.33Å; V101-V110 WeakPolarHBondContact O-CB 3.34Å; V101-V110 PolarHBondContact O-N 3.43Å; V101-G111 PolarHBondContact N-O 2.91Å; V101-G111 PolarHBondContact O-N 3.08Å; V101-L154 HydrophobicContact CG2-CD1 4.25Å |
| 102 | Y | 90.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.8 | 176.5 | -61.8 | -88.4 | 0 | 0 | 0 | 110.4 | Y90 I91 I93 F95 Y100 C108 L109 | Y90-Y102 CarbonylContact C-O 3.54Å; Y90-Y102 WeakPolarHBondContact CA-O 3.45Å; Y90-Y102 WeakPolarHBondContact CB-O 3.46Å; I91-Y102 HydrophobicContact CG2-CD2 4.5Å; I91-Y102 PolarHBondContact N-O 2.73Å; I91-Y102 PolarHBondContact O-N 2.99Å; I93-Y102 HydrophobicContact CB-CE2 4.47Å; I93-Y102 HydrophobicContact CD1-CD2 3.82Å; I93-Y102 HydrophobicContact CD1-CE2 3.92Å; I93-Y102 HydrophobicContact CG1-CD2 4.21Å; I93-Y102 HydrophobicContact CG1-CE2 4.4Å; F95-Y102 HydrophobicContact CE2-CE2 4.31Å; Y100-Y102 HydrophobicContact CD1-CE2 4.48Å; Y100-Y102 WeakPolarHBondContact CD1-OH 3.3Å; Y100-Y102 HydrophobicContact CG-CE2 4.27Å; Y102-C108 CarbonylContact C-O 3.42Å; Y102-C108 VanDerWaalsContact CA-O 3.29Å; Y102-C108 WeakPolarHBondContact CA-O 3.44Å; Y102-L109 HydrophobicContact CD1-CB 4.08Å; Y102-L109 HydrophobicContact CD1-CD1 4.13Å; Y102-L109 HydrophobicContact CE1-CB 3.91Å; Y102-L109 HydrophobicContact CE1-CD1 3.81Å; Y102-L109 HydrophobicContact CE1-CG 4.43Å |
| 103 | Q | 88.4 | Confident | 90.3 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.9 | 165.8 | -175.5 | -179.3 | 27.3 | 0 | 0 | 109 | N89 Y90 V105 S106 G107 C108 V110 | N89-Q103 CarbonylContact O-C 3.46Å; N89-Q103 WeakPolarHBondContact O-CA 3.04Å; Y90-Q103 HydrophobicContact CD1-CB 4.33Å; Y90-Q103 HydrophobicContact CE1-CB 4.31Å; Y90-Q103 HydrophobicContact CE1-CG 4.49Å; Q103-V105 VanDerWaalsContact C-N 3.34Å; Q103-V105 PolarHBondContact O-N 3.47Å; Q103-S106 WeakPolarHBondContact CB-OG 3.46Å; Q103-S106 PolarHBondContact OE1-OG 2.84Å; Q103-G107 VanDerWaalsContact O-CA 3.25Å; Q103-G107 WeakPolarHBondContact O-CA 3.17Å; Q103-G107 PolarHBondContact O-N 3.13Å; Q103-C108 PolarHBondContact N-O 3.3Å; Q103-V110 HydrophobicContact CB-CG2 4.17Å |
| 104 | T | 85.3 | Confident | 89.7 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -39.5 | -173.6 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | F84 G88 N89 Y90 I91 | F84-T104 HydrophobicContact CE1-CG2 4.41Å; G88-T104 WeakPolarHBondContact O-CB 3.36Å; G88-T104 PolarHBondContact O-OG1 3.34Å; N89-T104 PolarHBondContact O-N 3.48Å; N89-T104 PolarHBondContact O-OG1 3Å; Y90-T104 WeakPolarHBondContact CA-OG1 3.25Å; Y90-T104 PolarHBondContact N-OG1 2.85Å; I91-T104 PolarHBondContact N-OG1 2.67Å |
| 105 | V | 81.5 | Confident | 88.6 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 70% | 0.703 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -45.2 | -174.7 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | Q103 | Q103-V105 VanDerWaalsContact C-N 3.34Å; Q103-V105 PolarHBondContact O-N 3.47Å |
| 106 | S | 80.6 | Confident | 87.9 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -20.7 | -175.6 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | Q103 C108 | Q103-S106 WeakPolarHBondContact CB-OG 3.46Å; Q103-S106 PolarHBondContact OE1-OG 2.84Å; S106-C108 PolarHBondContact O-N 2.69Å; S106-C108 WeakPolarHBondContact OG-CB 3.45Å; S106-C108 PolarHBondContact OG-N 3.1Å; S106-C108 VanDerWaalsContact OG-N 3.16Å; S106-C108 PolarHBondContact OG-SG 2.8Å |
| 107 | G | 83.7 | Confident | 87.7 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | trans | 70.8 | 4.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q103 | Q103-G107 VanDerWaalsContact O-CA 3.25Å; Q103-G107 WeakPolarHBondContact O-CA 3.17Å; Q103-G107 PolarHBondContact O-N 3.13Å | ||
| 108 | C | 86.9 | Confident | 87.5 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 49% | 0.493 | 28% | 0.282 | S | S | . | . | trans | -69.8 | 138 | -178.2 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | Y102 Q103 S106 V110 | Y102-C108 CarbonylContact C-O 3.42Å; Y102-C108 VanDerWaalsContact CA-O 3.29Å; Y102-C108 WeakPolarHBondContact CA-O 3.44Å; Q103-C108 PolarHBondContact N-O 3.3Å; S106-C108 PolarHBondContact O-N 2.69Å; S106-C108 WeakPolarHBondContact OG-CB 3.45Å; S106-C108 PolarHBondContact OG-N 3.1Å; S106-C108 VanDerWaalsContact OG-N 3.16Å; S106-C108 PolarHBondContact OG-SG 2.8Å; C108-V110 PolarHBondContact O-N 2.9Å | ||
| 109 | L | 89.5 | Confident | 87.4 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 120.1 | 170.3 | 179.5 | 62.7 | 0 | 0 | 0 | 109.3 | Y100 V101 Y102 G111 V112 | Y100-L109 HydrophobicContact CD1-CD1 3.64Å; Y100-L109 HydrophobicContact CD1-CD2 4.18Å; Y100-L109 HydrophobicContact CE1-CD2 4.38Å; Y100-L109 HydrophobicContact CG-CD1 4.31Å; V101-L109 WeakPolarHBondContact O-CD1 3.29Å; Y102-L109 HydrophobicContact CD1-CB 4.08Å; Y102-L109 HydrophobicContact CD1-CD1 4.13Å; Y102-L109 HydrophobicContact CE1-CB 3.91Å; Y102-L109 HydrophobicContact CE1-CD1 3.81Å; Y102-L109 HydrophobicContact CE1-CG 4.43Å; L109-G111 WeakPolarHBondContact CD1-O 3.39Å; L109-V112 HydrophobicContact CD1-CG2 4.33Å; L109-V112 HydrophobicContact CD2-CG2 4.1Å |
| 110 | V | 88.7 | Confident | 87.3 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -39.9 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | Y90 V101 Q103 C108 L154 A158 | Y90-V110 HydrophobicContact CD1-CG2 3.98Å; Y90-V110 HydrophobicContact CE1-CG2 3.78Å; V101-V110 HydrophobicContact CB-CB 4.35Å; V101-V110 HydrophobicContact CG1-CB 4.16Å; V101-V110 HydrophobicContact CG1-CG1 4.47Å; V101-V110 WeakPolarHBondContact O-CA 3.33Å; V101-V110 WeakPolarHBondContact O-CB 3.34Å; V101-V110 PolarHBondContact O-N 3.43Å; Q103-V110 HydrophobicContact CB-CG2 4.17Å; C108-V110 PolarHBondContact O-N 2.9Å; V110-L154 HydrophobicContact CG1-CB 4.33Å; V110-L154 WeakPolarHBondContact CG1-O 3.27Å; V110-A158 HydrophobicContact CG1-CB 3.78Å; V110-A158 HydrophobicContact CG2-CB 4.14Å |
| 111 | G | 88.9 | Confident | 87.4 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V101 L109 | V101-G111 PolarHBondContact N-O 2.91Å; V101-G111 PolarHBondContact O-N 3.08Å; L109-G111 WeakPolarHBondContact CD1-O 3.39Å |
| 112 | V | 91.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.5 | -179.2 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | I99 Y100 L109 E114 | I99-V112 CarbonylContact O-C 3.5Å; I99-V112 WeakPolarHBondContact O-CA 3.43Å; Y100-V112 HydrophobicContact CD1-CG2 3.71Å; Y100-V112 HydrophobicContact CD2-CG1 4.31Å; Y100-V112 HydrophobicContact CE1-CG1 4.35Å; Y100-V112 HydrophobicContact CE1-CG2 3.54Å; Y100-V112 HydrophobicContact CE2-CG1 4Å; Y100-V112 HydrophobicContact CG-CG2 4.29Å; L109-V112 HydrophobicContact CD1-CG2 4.33Å; L109-V112 HydrophobicContact CD2-CG2 4.1Å; V112-E114 HydrophobicContact CG1-CB 4.29Å |
| 113 | L | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.9 | 168.8 | -47 | 169.5 | 0 | 0 | 0 | 107.3 | I99 L137 W149 L151 L154 H182 | I99-L113 HydrophobicContact CB-CB 4.06Å; I99-L113 HydrophobicContact CB-CD1 4.19Å; I99-L113 HydrophobicContact CB-CG 4.44Å; I99-L113 HydrophobicContact CD1-CD1 4.33Å; I99-L113 HydrophobicContact CG2-CD1 4.11Å; I99-L113 PolarHBondContact N-O 3.07Å; I99-L113 PolarHBondContact O-N 2.92Å; L113-L137 HydrophobicContact CD1-CD2 3.58Å; L113-W149 HydrophobicContact CB-CD2 4.05Å; L113-W149 HydrophobicContact CB-CE3 3.77Å; L113-W149 HydrophobicContact CB-CH2 4.03Å; L113-W149 HydrophobicContact CB-CZ2 4.3Å; L113-W149 HydrophobicContact CB-CZ3 3.78Å; L113-W149 HydrophobicContact CD1-CB 3.99Å; L113-W149 HydrophobicContact CD1-CD2 3.97Å; L113-W149 HydrophobicContact CD1-CE3 4.35Å; L113-W149 HydrophobicContact CD1-CG 3.82Å; L113-W149 HydrophobicContact CD2-CB 4.46Å; L113-W149 HydrophobicContact CD2-CD2 4.41Å; L113-W149 HydrophobicContact CD2-CE3 4Å; L113-W149 HydrophobicContact CG-CD2 4.39Å; L113-W149 HydrophobicContact CG-CE3 4.28Å; L113-L151 HydrophobicContact CD1-CD2 4.13Å; L113-L154 HydrophobicContact CD2-CD1 3.42Å; L113-L154 VanDerWaalsContact CD2-CD1 3.42Å; L113-L154 HydrophobicContact CG-CD1 4.22Å; L113-H182 HydrophobicContact CD2-CB 3.55Å |
| 114 | E | 85.3 | Confident | 87.9 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | trans | -136.2 | 163.2 | -174.7 | 60 | 167.9 | -140.9 | 0 | 0 | 111.6 | V112 K181 | V112-E114 HydrophobicContact CG1-CB 4.29Å; E114-K181 VanDerWaalsContact OE1-CD 3.32Å; E114-K181 WeakPolarHBondContact OE1-CD 3.45Å; E114-K181 WeakPolarHBondContact OE1-CE 3.37Å; E114-K181 WeakPolarHBondContact OE1-CG 3.44Å; E114-K181 IonicContact OE1-NZ 3.96Å; E114-K181 PolarHBondContact OE1-NZ 2.92Å | ||
| 115 | G | 72.4 | Confident | 88.3 | Confident | 73 Ų | 73 | 48.1 Ų | 48.1 | 75% | 0.753 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 93.2 | 11.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 116 | S | 78 | Confident | 88.9 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -114.7 | -52.1 | 177.5 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | F145 W149 | S116-F145 WeakPolarHBondContact O-CE2 3.15Å; S116-F145 WeakPolarHBondContact O-CZ 3.49Å; S116-W149 WeakPolarHBondContact OG-CH2 3.3Å; S116-W149 WeakPolarHBondContact OG-CZ2 3.34Å |
| 117 | H | 89.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.06 | 25% | 0.251 | C | S | . | . | trans | -73.1 | 129.9 | -176.2 | -72.9 | -71.8 | 0 | 0 | 0 | 112.7 | I121 S139 D141 F145 | H117-I121 HydrophobicContact CB-CG1 4.19Å; H117-S139 WeakPolarHBondContact NE2-CB 3.34Å; H117-S139 PolarHBondContact NE2-OG 2.86Å; H117-D141 IonicContact CG-OD2 3.69Å; H117-D141 WeakPolarHBondContact ND1-CB 3.45Å; H117-D141 IonicContact ND1-OD2 3Å; H117-D141 PolarHBondContact ND1-OD2 2.76Å; H117-F145 AromaticContact CE1-CD1 3.49Å; H117-F145 VanDerWaalsContact CE1-CD1 3.49Å; H117-F145 WeakPolarHBondContact CE1-CD1 3.34Å; H117-F145 AromaticContact ND1-CD1 3.35Å; H117-F145 VanDerWaalsContact ND1-CD1 3.35Å; H117-F145 WeakPolarHBondContact ND1-CD1 3.49Å | ||
| 118 | S | 88.1 | Confident | 89.2 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -95.7 | -14.2 | 175.7 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 119 | A | 92.9 | Very high | 88.7 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -130.6 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R97 I121 D141 I142 A143 | R97-A119 WeakPolarHBondContact CG-O 3.48Å; A119-I121 PolarHBondContact O-N 2.77Å; A119-D141 HydrophobicContact CB-CB 4.23Å; A119-D141 PolarHBondContact N-OD2 2.83Å; A119-D141 WeakPolarHBondContact O-CB 3.4Å; A119-I142 HydrophobicContact CB-CD1 4.24Å; A119-I142 HydrophobicContact CB-CG1 3.59Å; A119-A143 HydrophobicContact CB-CB 3.71Å |
| 120 | R | 93.6 | Very high | 87.5 | Confident | 134 Ų | 134 | 43.7 Ų | 43.7 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | trans | -58.4 | 127 | 180 | -176.7 | -176.8 | -56.6 | 129.3 | 4.1 | 111 | D96 Y122 D141 I142 | D96-R120 CarbonylContact O-C 3.54Å; D96-R120 WeakPolarHBondContact O-CA 3.39Å; D96-R120 IonicContact OD1-NE 2.76Å; R120-Y122 PolarHBondContact O-N 2.84Å; R120-D141 VanDerWaalsContact O-CA 3.31Å; R120-D141 WeakPolarHBondContact O-CA 3.26Å; R120-D141 VanDerWaalsContact O-CB 3.24Å; R120-D141 WeakPolarHBondContact O-CB 3.43Å; R120-I142 HydrophobicContact CB-CD1 4.14Å; R120-I142 HydrophobicContact CB-CG1 4.39Å; R120-I142 HydrophobicContact CB-CG2 4.41Å; R120-I142 WeakPolarHBondContact O-CG2 3.36Å; R120-I142 PolarHBondContact O-N 2.81Å | ||
| 121 | I | 94.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 129.3 | 172.7 | -64.1 | 170.7 | 0 | 0 | 0 | 108.6 | S80 A81 A94 D96 I99 H117 A119 M124 T140 | S80-I121 VanDerWaalsContact CB-O 3.25Å; S80-I121 WeakPolarHBondContact CB-O 3.39Å; S80-I121 PolarHBondContact OG-O 2.79Å; A81-I121 HydrophobicContact CB-CG2 4.42Å; A94-I121 HydrophobicContact CB-CB 3.9Å; A94-I121 HydrophobicContact CB-CD1 3.96Å; A94-I121 HydrophobicContact CB-CG2 3.73Å; D96-I121 PolarHBondContact O-N 2.84Å; I99-I121 HydrophobicContact CD1-CD1 3.84Å; I99-I121 HydrophobicContact CG1-CD1 3.33Å; H117-I121 HydrophobicContact CB-CG1 4.19Å; A119-I121 PolarHBondContact O-N 2.77Å; I121-M124 HydrophobicContact CG2-CG 4.01Å; I121-T140 CarbonylContact C-O 3.5Å; I121-T140 WeakPolarHBondContact CA-O 3.44Å; I121-T140 WeakPolarHBondContact CG2-O 3.47Å |
| 122 | Y | 93.2 | Very high | 84.2 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -43.3 | -174.6 | -178 | -103.9 | 0 | 0 | 0 | 111.7 | K38 R120 T140 I142 | K38-Y122 HydrophobicContact CD-CE2 4.48Å; K38-Y122 WeakPolarHBondContact CE-OH 3.5Å; K38-Y122 PolarHBondContact NZ-OH 3.25Å; K38-Y122 VanDerWaalsContact NZ-OH 3.08Å; R120-Y122 PolarHBondContact O-N 2.84Å; Y122-T140 PolarHBondContact N-O 3.29Å; Y122-I142 HydrophobicContact CD2-CG2 4.15Å; Y122-I142 HydrophobicContact CG-CG2 4.47Å |
| 123 | E | 94.1 | Very high | 82.9 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.8 | -177.4 | -175.4 | 169.3 | -145.8 | 0 | 0 | 110.9 | K125 S139 T140 V197 C198 | E123-K125 WeakPolarHBondContact OE1-CE 3.38Å; E123-K125 IonicContact OE1-NZ 2.92Å; E123-K125 PolarHBondContact OE1-NZ 3.44Å; E123-S139 WeakPolarHBondContact O-CA 3.44Å; E123-T140 WeakPolarHBondContact CB-OG1 3.26Å; E123-T140 PolarHBondContact N-O 3.13Å; E123-T140 PolarHBondContact O-N 2.94Å; E123-V197 WeakPolarHBondContact OE2-CA 3.47Å; E123-C198 PolarHBondContact OE2-N 3.4Å |
| 124 | M | 95.6 | Very high | 81.9 | Confident | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.054 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140 | 172.2 | -67.5 | -169.6 | -61.8 | 0 | 0 | 110.1 | A81 F82 I83 I92 A94 I99 I121 L137 V138 | A81-M124 HydrophobicContact CB-CE 4.03Å; A81-M124 HydrophobicContact CB-CG 4.3Å; A81-M124 WeakPolarHBondContact O-CE 3.2Å; F82-M124 VanDerWaalsContact CA-CE 3.47Å; I83-M124 HydrophobicContact CG2-CE 4.48Å; I92-M124 HydrophobicContact CG2-CE 4.19Å; I92-M124 HydrophobicContact CG2-SD 4.09Å; I92-M124 WeakPolarHBondContact O-CE 3.4Å; A94-M124 HydrophobicContact CB-CE 3.93Å; A94-M124 HydrophobicContact CB-SD 4Å; I99-M124 HydrophobicContact CD1-SD 3.96Å; I99-M124 HydrophobicContact CG1-SD 4.1Å; I99-M124 HydrophobicContact CG2-SD 3.84Å; I121-M124 HydrophobicContact CG2-CG 4.01Å; M124-L137 HydrophobicContact CB-CD1 4.16Å; M124-L137 HydrophobicContact SD-CD1 4.44Å; M124-L137 HydrophobicContact SD-CD2 4.26Å; M124-V138 CarbonylContact C-O 3.43Å; M124-V138 VanDerWaalsContact CA-O 3.27Å; M124-V138 WeakPolarHBondContact CA-O 3.47Å |
| 125 | K | 94.8 | Very high | 82 | Confident | 72 Ų | 72 | 55 Ų | 55 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141 | 174.5 | -63.3 | -62.5 | -176.2 | -149 | 0 | 110.2 | E123 V138 C198 V200 | E123-K125 WeakPolarHBondContact OE1-CE 3.38Å; E123-K125 IonicContact OE1-NZ 2.92Å; E123-K125 PolarHBondContact OE1-NZ 3.44Å; K125-V138 PolarHBondContact N-O 2.97Å; K125-V138 PolarHBondContact O-N 3.44Å; K125-C198 WeakPolarHBondContact CE-O 3.35Å; K125-C198 WeakPolarHBondContact CG-O 3.42Å; K125-V200 HydrophobicContact CB-CG2 3.91Å |
| 126 | L | 93.3 | Very high | 82.9 | Confident | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.2 | 171.5 | -75.5 | 170.6 | 0 | 0 | 0 | 109.6 | I83 T85 I92 F136 L137 L151 | I83-L126 HydrophobicContact CD1-CB 4.19Å; I83-L126 HydrophobicContact CD1-CD1 3.92Å; I83-L126 HydrophobicContact CD1-CG 3.89Å; I83-L126 HydrophobicContact CG1-CD1 3.95Å; I83-L126 HydrophobicContact CG1-CG 4.36Å; I83-L126 HydrophobicContact CG2-CD1 4.15Å; I83-L126 HydrophobicContact CG2-CG 4.18Å; T85-L126 HydrophobicContact CG2-CD1 3.99Å; I92-L126 HydrophobicContact CD1-CD2 3.82Å; L126-F136 WeakPolarHBondContact CA-O 3.32Å; L126-L137 HydrophobicContact CD2-CB 4.35Å; L126-L137 HydrophobicContact CD2-CD1 3.85Å; L126-L137 HydrophobicContact CG-CD1 4.31Å; L126-L151 HydrophobicContact CD2-CD1 3.56Å |
| 127 | S | 90.4 | Very high | 83.7 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 169.9 | 162 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | W129 F136 | S127-W129 PolarHBondContact O-N 3.42Å; S127-F136 PolarHBondContact N-O 2.98Å; S127-F136 PolarHBondContact OG-N 3.42Å; S127-F136 PolarHBondContact OG-O 2.6Å |
| 128 | K | 79.5 | Confident | 84 | Confident | 138 Ų | 138 | 50.8 Ų | 50.8 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 119.4 | 174.5 | -170.1 | 171.9 | -174 | 170 | 0 | 110 | N130 | K128-N130 PolarHBondContact O-N 2.96Š|
| 129 | W | 76.9 | Confident | 84.4 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | trans | -87.1 | 93.6 | -179.8 | -169.6 | -92.7 | 0 | 0 | 0 | 108.7 | T85 P86 D87 Y90 S127 A135 L151 I155 | T85-W129 HydrophobicContact CG2-CD2 4.42Å; T85-W129 HydrophobicContact CG2-CE3 4.02Å; T85-W129 HydrophobicContact CG2-CH2 3.3Å; T85-W129 HydrophobicContact CG2-CZ2 3.82Å; T85-W129 HydrophobicContact CG2-CZ3 3.44Å; T85-W129 VanDerWaalsContact CG2-CZ3 3.44Å; P86-W129 HydrophobicContact CB-CB 4.12Å; P86-W129 HydrophobicContact CB-CG 4.46Å; P86-W129 HydrophobicContact CG-CB 3.58Å; P86-W129 HydrophobicContact CG-CG 4.19Å; D87-W129 WeakPolarHBondContact OD2-CZ2 3.31Å; D87-W129 PolarHBondContact OD2-NE1 3.08Å; Y90-W129 HydrophobicContact CD2-CH2 4.04Å; Y90-W129 HydrophobicContact CD2-CZ2 4.04Å; Y90-W129 HydrophobicContact CE2-CZ2 4.34Å; S127-W129 PolarHBondContact O-N 3.42Å; W129-A135 HydrophobicContact CD2-CB 4.45Å; W129-A135 HydrophobicContact CE3-CB 3.55Å; W129-A135 HydrophobicContact CH2-CB 4.31Å; W129-A135 HydrophobicContact CZ3-CB 3.46Å; W129-A135 VanDerWaalsContact CZ3-CB 3.46Å; W129-L151 HydrophobicContact CZ3-CD1 4.05Å; W129-I155 HydrophobicContact CH2-CD1 3.2Å; W129-I155 HydrophobicContact CH2-CG1 4.25Å; W129-I155 HydrophobicContact CZ2-CD1 4.12Å; W129-I155 HydrophobicContact CZ3-CD1 3.74Å | ||
| 130 | N | 64.8 | Low | 84.5 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | trans | -105 | 142.9 | 169 | 55.5 | 2.4 | 0 | 0 | 0 | 108.9 | K128 N132 G133 | K128-N130 PolarHBondContact O-N 2.96Å; N130-N132 PolarHBondContact O-N 2.93Å; N130-G133 PolarHBondContact O-N 3.39Å; N130-G133 WeakPolarHBondContact OD1-CA 3.42Å; N130-G133 PolarHBondContact OD1-N 3.35Å | ||
| 131 | S | 52.9 | Low | 84.6 | Confident | 113 Ų | 113 | 39.5 Ų | 39.5 | 79% | 0.79 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.2 | 175.6 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 132 | N | 55.3 | Low | 84.5 | Confident | 152 Ų | 152 | 42.1 Ų | 42.1 | 81% | 0.813 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -4.1 | -169 | -60.4 | 0.8 | 0 | 0 | 0 | 113.8 | N130 | N130-N132 PolarHBondContact O-N 2.93Š|
| 133 | G | 63.1 | Low | 84.3 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 25% | 0.247 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -121.5 | 166.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N130 A135 | N130-G133 PolarHBondContact O-N 3.39Å; N130-G133 WeakPolarHBondContact OD1-CA 3.42Å; N130-G133 PolarHBondContact OD1-N 3.35Å; G133-A135 PolarHBondContact O-N 3.05Å |
| 134 | P | 71.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 41.6 Ų | 41.6 | 43% | 0.429 | 24% | 0.236 | S | C | . | . | trans | -66.9 | 120.7 | 176.3 | 26.5 | -32 | 0 | 0 | 0 | 110.1 | F136 Y219 | P134-F136 HydrophobicContact CB-CE1 4.32Å; P134-F136 HydrophobicContact CB-CE2 3.77Å; P134-F136 HydrophobicContact CB-CZ 3.61Å; P134-F136 HydrophobicContact CG-CE2 3.58Å; P134-F136 HydrophobicContact CG-CZ 3.62Å; P134-F136 VanDerWaalsContact O-CD2 3.28Å; P134-F136 WeakPolarHBondContact O-CD2 3.4Å; P134-F136 VanDerWaalsContact O-CE2 3.3Å; P134-F136 WeakPolarHBondContact O-CE2 3.33Å; P134-Y219 HydrophobicContact CG-CE1 4.27Å | ||
| 135 | A | 87 | Confident | 83.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | trans | -77.5 | 126.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | W129 G133 L151 I155 | W129-A135 HydrophobicContact CD2-CB 4.45Å; W129-A135 HydrophobicContact CE3-CB 3.55Å; W129-A135 HydrophobicContact CH2-CB 4.31Å; W129-A135 HydrophobicContact CZ3-CB 3.46Å; W129-A135 VanDerWaalsContact CZ3-CB 3.46Å; G133-A135 PolarHBondContact O-N 3.05Å; A135-L151 HydrophobicContact CB-CB 4.12Å; A135-L151 HydrophobicContact CB-CD1 4.4Å; A135-L151 WeakPolarHBondContact O-CB 3.34Å; A135-L151 PolarHBondContact O-N 3.09Å; A135-I155 HydrophobicContact CB-CD1 4.34Å | ||
| 136 | F | 92.3 | Very high | 83.9 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.2 | 174.8 | -55.7 | -82.8 | 0 | 0 | 0 | 111.3 | L126 S127 P134 W149 L185 L218 Y219 | L126-F136 WeakPolarHBondContact CA-O 3.32Å; S127-F136 PolarHBondContact N-O 2.98Å; S127-F136 PolarHBondContact OG-N 3.42Å; S127-F136 PolarHBondContact OG-O 2.6Å; P134-F136 HydrophobicContact CB-CE1 4.32Å; P134-F136 HydrophobicContact CB-CE2 3.77Å; P134-F136 HydrophobicContact CB-CZ 3.61Å; P134-F136 HydrophobicContact CG-CE2 3.58Å; P134-F136 HydrophobicContact CG-CZ 3.62Å; P134-F136 VanDerWaalsContact O-CD2 3.28Å; P134-F136 WeakPolarHBondContact O-CD2 3.4Å; P134-F136 VanDerWaalsContact O-CE2 3.3Å; P134-F136 WeakPolarHBondContact O-CE2 3.33Å; F136-W149 CarbonylContact C-O 3.59Å; F136-W149 WeakPolarHBondContact CA-O 3.47Å; F136-L185 HydrophobicContact CD1-CD1 3.41Å; F136-L185 VanDerWaalsContact CD1-CD1 3.41Å; F136-L185 HydrophobicContact CE1-CD1 3.34Å; F136-L218 HydrophobicContact CB-CD1 4.11Å; F136-L218 HydrophobicContact CB-CG 4.47Å; F136-L218 HydrophobicContact CD2-CD2 3.65Å; F136-L218 HydrophobicContact CD2-CG 3.99Å; F136-L218 HydrophobicContact CE2-CD2 4.18Å; F136-L218 HydrophobicContact CE2-CG 4.46Å; F136-L218 HydrophobicContact CG-CD1 4.38Å; F136-L218 HydrophobicContact CG-CD2 4.3Å; F136-L218 HydrophobicContact CG-CG 4.24Å; F136-Y219 HydrophobicContact CE1-CD1 4.44Å; F136-Y219 AromaticContact CE2-CD1 3.81Å; F136-Y219 HydrophobicContact CE2-CD1 3.81Å; F136-Y219 AromaticContact CE2-CE1 3.42Å; F136-Y219 HydrophobicContact CE2-CE1 3.42Å; F136-Y219 VanDerWaalsContact CE2-CE1 3.42Å; F136-Y219 AromaticContact CZ-CD1 3.49Å; F136-Y219 HydrophobicContact CZ-CD1 3.49Å; F136-Y219 VanDerWaalsContact CZ-CD1 3.49Å; F136-Y219 AromaticContact CZ-CE1 3.52Å; F136-Y219 HydrophobicContact CZ-CE1 3.52Å |
| 137 | L | 95.2 | Very high | 84 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133 | 168 | -179.5 | 73.6 | 0 | 0 | 0 | 108.1 | I83 I92 I99 L113 M124 L126 C148 W149 L151 | I83-L137 HydrophobicContact CG2-CD1 4.3Å; I92-L137 HydrophobicContact CD1-CD1 4.13Å; I92-L137 HydrophobicContact CG2-CD1 4.33Å; I92-L137 HydrophobicContact CG2-CD2 3.83Å; I99-L137 HydrophobicContact CD1-CD2 3.88Å; I99-L137 HydrophobicContact CG2-CD2 4.02Å; L113-L137 HydrophobicContact CD1-CD2 3.58Å; M124-L137 HydrophobicContact CB-CD1 4.16Å; M124-L137 HydrophobicContact SD-CD1 4.44Å; M124-L137 HydrophobicContact SD-CD2 4.26Å; L126-L137 HydrophobicContact CD2-CB 4.35Å; L126-L137 HydrophobicContact CD2-CD1 3.85Å; L126-L137 HydrophobicContact CG-CD1 4.31Å; L137-C148 CarbonylContact O-C 3.57Å; L137-C148 WeakPolarHBondContact O-CA 3.42Å; L137-W149 HydrophobicContact CB-CB 4.21Å; L137-W149 PolarHBondContact N-O 2.71Å; L137-W149 VanDerWaalsContact O-CD1 3.26Å; L137-W149 PolarHBondContact O-N 3.03Å; L137-L151 HydrophobicContact CB-CD1 4.1Å; L137-L151 HydrophobicContact CB-CD2 4.05Å; L137-L151 HydrophobicContact CB-CG 4.11Å |
| 138 | V | 95.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.9 | 168.6 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | M124 K125 L146 A147 V200 V205 L218 | M124-V138 CarbonylContact C-O 3.43Å; M124-V138 VanDerWaalsContact CA-O 3.27Å; M124-V138 WeakPolarHBondContact CA-O 3.47Å; K125-V138 PolarHBondContact N-O 2.97Å; K125-V138 PolarHBondContact O-N 3.44Å; V138-L146 HydrophobicContact CG1-CD1 3.4Å; V138-L146 HydrophobicContact CG1-CG 4.47Å; V138-A147 CarbonylContact C-O 3.58Å; V138-A147 VanDerWaalsContact CA-O 3.32Å; V138-A147 WeakPolarHBondContact CA-O 3.23Å; V138-V200 HydrophobicContact CB-CG2 4.18Å; V138-V200 HydrophobicContact CG2-CG2 3.74Å; V138-V205 HydrophobicContact CG1-CG1 3.84Å; V138-V205 HydrophobicContact CG2-CG1 4.27Å; V138-V205 HydrophobicContact CG2-CG2 3.69Å; V138-L218 HydrophobicContact CG2-CD1 4.04Å |
| 139 | S | 95.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.8 | 177 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | H117 E123 L146 A147 W149 | H117-S139 WeakPolarHBondContact NE2-CB 3.34Å; H117-S139 PolarHBondContact NE2-OG 2.86Å; E123-S139 WeakPolarHBondContact O-CA 3.44Å; S139-L146 CarbonylContact O-C 3.51Å; S139-L146 WeakPolarHBondContact O-CA 3.19Å; S139-A147 PolarHBondContact N-O 3.13Å; S139-A147 PolarHBondContact O-N 2.68Å; S139-W149 PolarHBondContact OG-NE1 3.1Å |
| 140 | T | 95.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.3 | 173.4 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | I121 Y122 E123 F145 L146 P196 C198 | I121-T140 CarbonylContact C-O 3.5Å; I121-T140 WeakPolarHBondContact CA-O 3.44Å; I121-T140 WeakPolarHBondContact CG2-O 3.47Å; Y122-T140 PolarHBondContact N-O 3.29Å; E123-T140 WeakPolarHBondContact CB-OG1 3.26Å; E123-T140 PolarHBondContact N-O 3.13Å; E123-T140 PolarHBondContact O-N 2.94Å; T140-F145 CarbonylContact C-O 3.5Å; T140-F145 WeakPolarHBondContact CA-O 3.11Å; T140-L146 HydrophobicContact CG2-CD1 3.54Å; T140-P196 HydrophobicContact CG2-CB 4.48Å; T140-P196 HydrophobicContact CG2-CG 3.87Å; T140-P196 PolarHBondContact OG1-O 3.45Å; T140-C198 HydrophobicContact CG2-CB 4.15Å |
| 141 | D | 94 | Very high | 86.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 169.2 | 169.8 | 71.3 | 24.4 | 0 | 0 | 0 | 113.4 | H117 A119 R120 A143 G144 F145 P196 | H117-D141 IonicContact CG-OD2 3.69Å; H117-D141 WeakPolarHBondContact ND1-CB 3.45Å; H117-D141 IonicContact ND1-OD2 3Å; H117-D141 PolarHBondContact ND1-OD2 2.76Å; A119-D141 HydrophobicContact CB-CB 4.23Å; A119-D141 PolarHBondContact N-OD2 2.83Å; A119-D141 WeakPolarHBondContact O-CB 3.4Å; R120-D141 VanDerWaalsContact O-CA 3.31Å; R120-D141 WeakPolarHBondContact O-CA 3.26Å; R120-D141 VanDerWaalsContact O-CB 3.24Å; R120-D141 WeakPolarHBondContact O-CB 3.43Å; D141-A143 PolarHBondContact O-N 3.16Å; D141-A143 VanDerWaalsContact O-N 3.12Å; D141-A143 WeakPolarHBondContact OD1-CA 3.5Å; D141-A143 WeakPolarHBondContact OD1-CB 3.24Å; D141-A143 PolarHBondContact OD1-N 3.37Å; D141-G144 PolarHBondContact O-N 3.09Å; D141-G144 PolarHBondContact OD1-N 3.23Å; D141-F145 PolarHBondContact N-O 3.01Å; D141-F145 VanDerWaalsContact OD1-CB 3.23Å; D141-F145 WeakPolarHBondContact OD1-CB 3.23Å; D141-F145 PolarHBondContact OD1-N 3.2Å; D141-F145 WeakPolarHBondContact OD2-CB 3.31Å; D141-P196 WeakPolarHBondContact O-CD 3.5Å |
| 142 | I | 92.7 | Very high | 88.1 | Confident | 56 Ų | 56 | 21.3 Ų | 21.3 | 29% | 0.287 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.3 | 179.2 | 63.1 | 172.1 | 0 | 0 | 0 | 114.2 | A119 R120 Y122 H195 | A119-I142 HydrophobicContact CB-CD1 4.24Å; A119-I142 HydrophobicContact CB-CG1 3.59Å; R120-I142 HydrophobicContact CB-CD1 4.14Å; R120-I142 HydrophobicContact CB-CG1 4.39Å; R120-I142 HydrophobicContact CB-CG2 4.41Å; R120-I142 WeakPolarHBondContact O-CG2 3.36Å; R120-I142 PolarHBondContact O-N 2.81Å; Y122-I142 HydrophobicContact CD2-CG2 4.15Å; Y122-I142 HydrophobicContact CG-CG2 4.47Å; I142-H195 VanDerWaalsContact CB-CD2 3.44Å; I142-H195 WeakPolarHBondContact CB-CD2 3.43Å; I142-H195 WeakPolarHBondContact CB-NE2 3.17Å; I142-H195 VanDerWaalsContact CG2-CD2 3.47Å; I142-H195 WeakPolarHBondContact CG2-CD2 3.17Å |
| 143 | A | 90.8 | Very high | 88.9 | Confident | 63 Ų | 63 | 17.6 Ų | 17.6 | 52% | 0.521 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | A119 D141 | A119-A143 HydrophobicContact CB-CB 3.71Å; D141-A143 PolarHBondContact O-N 3.16Å; D141-A143 VanDerWaalsContact O-N 3.12Å; D141-A143 WeakPolarHBondContact OD1-CA 3.5Å; D141-A143 WeakPolarHBondContact OD1-CB 3.24Å; D141-A143 PolarHBondContact OD1-N 3.37Å |
| 144 | G | 89.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 93.1 | 9.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D141 Q190 A191 S192 | D141-G144 PolarHBondContact O-N 3.09Å; D141-G144 PolarHBondContact OD1-N 3.23Å; G144-Q190 CarbonylContact O-C 3.56Å; G144-A191 WeakPolarHBondContact O-CB 3.41Å; G144-A191 PolarHBondContact O-N 3.11Å; G144-S192 WeakPolarHBondContact CA-O 3.35Å |
| 145 | F | 91.6 | Very high | 90 | Very high | 14 Ų | 14 | 14.7 Ų | 14.7 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | trans | -78.3 | 143.3 | 174.8 | -167.3 | -84.2 | 0 | 0 | 0 | 110.7 | S116 H117 T140 D141 A147 Y187 V188 I189 | S116-F145 WeakPolarHBondContact O-CE2 3.15Å; S116-F145 WeakPolarHBondContact O-CZ 3.49Å; H117-F145 AromaticContact CE1-CD1 3.49Å; H117-F145 VanDerWaalsContact CE1-CD1 3.49Å; H117-F145 WeakPolarHBondContact CE1-CD1 3.34Å; H117-F145 AromaticContact ND1-CD1 3.35Å; H117-F145 VanDerWaalsContact ND1-CD1 3.35Å; H117-F145 WeakPolarHBondContact ND1-CD1 3.49Å; T140-F145 CarbonylContact C-O 3.5Å; T140-F145 WeakPolarHBondContact CA-O 3.11Å; D141-F145 PolarHBondContact N-O 3.01Å; D141-F145 VanDerWaalsContact OD1-CB 3.23Å; D141-F145 WeakPolarHBondContact OD1-CB 3.23Å; D141-F145 PolarHBondContact OD1-N 3.2Å; D141-F145 WeakPolarHBondContact OD2-CB 3.31Å; F145-A147 HydrophobicContact CD1-CB 4.44Å; F145-A147 HydrophobicContact CE1-CB 3.83Å; F145-Y187 HydrophobicContact CE1-CG 4.39Å; F145-Y187 AromaticContact CE2-CD2 3.68Å; F145-Y187 HydrophobicContact CE2-CD2 3.68Å; F145-Y187 HydrophobicContact CE2-CE2 4.38Å; F145-Y187 HydrophobicContact CE2-CG 4.28Å; F145-Y187 AromaticContact CZ-CD2 3.51Å; F145-Y187 HydrophobicContact CZ-CD2 3.51Å; F145-Y187 HydrophobicContact CZ-CE2 4.43Å; F145-Y187 AromaticContact CZ-CG 3.63Å; F145-Y187 HydrophobicContact CZ-CG 3.63Å; F145-V188 WeakPolarHBondContact CA-O 3.46Å; F145-I189 HydrophobicContact CD2-CB 4.39Å; F145-I189 HydrophobicContact CD2-CG1 4.05Å; F145-I189 HydrophobicContact CE2-CG1 3.77Å | ||
| 146 | L | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.2 | 176 | 176.2 | 74.6 | 0 | 0 | 0 | 108.9 | V138 S139 T140 W186 Y187 V188 A191 V205 V207 Y216 | V138-L146 HydrophobicContact CG1-CD1 3.4Å; V138-L146 HydrophobicContact CG1-CG 4.47Å; S139-L146 CarbonylContact O-C 3.51Å; S139-L146 WeakPolarHBondContact O-CA 3.19Å; T140-L146 HydrophobicContact CG2-CD1 3.54Å; L146-W186 HydrophobicContact CD2-CH2 3.85Å; L146-W186 HydrophobicContact CD2-CZ3 3.67Å; L146-W186 HydrophobicContact CG-CH2 4.29Å; L146-W186 HydrophobicContact CG-CZ3 4.01Å; L146-Y187 CarbonylContact O-C 3.5Å; L146-Y187 WeakPolarHBondContact O-CA 3.33Å; L146-Y187 VanDerWaalsContact O-CB 3.3Å; L146-Y187 WeakPolarHBondContact O-CB 3.45Å; L146-V188 HydrophobicContact CB-CB 4.31Å; L146-V188 HydrophobicContact CD2-CG2 4.43Å; L146-V188 PolarHBondContact N-O 2.94Å; L146-V188 PolarHBondContact O-N 3.23Å; L146-A191 HydrophobicContact CB-CB 3.93Å; L146-A191 HydrophobicContact CD2-CB 4.34Å; L146-V205 HydrophobicContact CD1-CG1 4.41Å; L146-V207 HydrophobicContact CD1-CG2 4.08Å; L146-V207 HydrophobicContact CD2-CG2 3.71Å; L146-Y216 HydrophobicContact CD2-CD2 4.08Å; L146-Y216 HydrophobicContact CD2-CE2 4.02Å |
| 147 | A | 94.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V138 S139 F145 W149 P184 | V138-A147 CarbonylContact C-O 3.58Å; V138-A147 VanDerWaalsContact CA-O 3.32Å; V138-A147 WeakPolarHBondContact CA-O 3.23Å; S139-A147 PolarHBondContact N-O 3.13Å; S139-A147 PolarHBondContact O-N 2.68Å; F145-A147 HydrophobicContact CD1-CB 4.44Å; F145-A147 HydrophobicContact CE1-CB 3.83Å; A147-W149 HydrophobicContact CB-CZ2 3.96Å; A147-P184 HydrophobicContact CB-CB 3.99Å |
| 148 | C | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.7 | 167.6 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | L137 P184 L185 W186 | L137-C148 CarbonylContact O-C 3.57Å; L137-C148 WeakPolarHBondContact O-CA 3.42Å; C148-P184 CarbonylContact O-C 3.47Å; C148-P184 VanDerWaalsContact O-CA 3.32Å; C148-P184 WeakPolarHBondContact O-CA 3.21Å; C148-P184 WeakPolarHBondContact O-CB 3.32Å; C148-L185 PolarHBondContact O-N 3.34Å; C148-W186 HydrophobicContact CB-CD2 3.71Å; C148-W186 HydrophobicContact CB-CE3 4.33Å; C148-W186 HydrophobicContact CB-CG 4.18Å; C148-W186 HydrophobicContact CB-CH2 4.08Å; C148-W186 HydrophobicContact CB-CZ2 3.43Å; C148-W186 VanDerWaalsContact CB-CZ2 3.43Å; C148-W186 HydrophobicContact CB-CZ3 4.48Å; C148-W186 PolarHBondContact N-O 3.29Å |
| 149 | W | 93.7 | Very high | 83.6 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.8 | -176.6 | -45.4 | 87.2 | 0 | 0 | 0 | 109.9 | I99 L113 S116 F136 L137 S139 A147 H182 P184 | I99-W149 HydrophobicContact CD1-CZ2 4.25Å; L113-W149 HydrophobicContact CB-CD2 4.05Å; L113-W149 HydrophobicContact CB-CE3 3.77Å; L113-W149 HydrophobicContact CB-CH2 4.03Å; L113-W149 HydrophobicContact CB-CZ2 4.3Å; L113-W149 HydrophobicContact CB-CZ3 3.78Å; L113-W149 HydrophobicContact CD1-CB 3.99Å; L113-W149 HydrophobicContact CD1-CD2 3.97Å; L113-W149 HydrophobicContact CD1-CE3 4.35Å; L113-W149 HydrophobicContact CD1-CG 3.82Å; L113-W149 HydrophobicContact CD2-CB 4.46Å; L113-W149 HydrophobicContact CD2-CD2 4.41Å; L113-W149 HydrophobicContact CD2-CE3 4Å; L113-W149 HydrophobicContact CG-CD2 4.39Å; L113-W149 HydrophobicContact CG-CE3 4.28Å; S116-W149 WeakPolarHBondContact OG-CH2 3.3Å; S116-W149 WeakPolarHBondContact OG-CZ2 3.34Å; F136-W149 CarbonylContact C-O 3.59Å; F136-W149 WeakPolarHBondContact CA-O 3.47Å; L137-W149 HydrophobicContact CB-CB 4.21Å; L137-W149 PolarHBondContact N-O 2.71Å; L137-W149 VanDerWaalsContact O-CD1 3.26Å; L137-W149 PolarHBondContact O-N 3.03Å; S139-W149 PolarHBondContact OG-NE1 3.1Å; A147-W149 HydrophobicContact CB-CZ2 3.96Å; W149-H182 VanDerWaalsContact CZ3-O 3.26Å; W149-H182 WeakPolarHBondContact CZ3-O 3.38Å; W149-P184 HydrophobicContact CD2-CB 4.1Å; W149-P184 VanDerWaalsContact CE3-CA 3.43Å; W149-P184 HydrophobicContact CE3-CB 3.83Å; W149-P184 HydrophobicContact CH2-CB 4.29Å; W149-P184 HydrophobicContact CH2-CG 4.47Å; W149-P184 HydrophobicContact CZ3-CB 3.92Å; W149-P184 VanDerWaalsContact CZ3-CD 3.42Å; W149-P184 HydrophobicContact CZ3-CG 4.22Å; W149-P184 VanDerWaalsContact CZ3-N 3.28Å |
| 150 | S | 90.7 | Very high | 81.1 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.3 | 165.8 | -172 | 0 | 0 | 0 | 0 | 109.4 | ||
| 151 | L | 89.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -91.4 | -13.5 | 173.1 | -57.4 | 178.2 | 0 | 0 | 0 | 112.5 | I92 L113 L126 W129 A135 L137 S153 L154 I155 | I92-L151 HydrophobicContact CD1-CD1 3.69Å; I92-L151 HydrophobicContact CD1-CD2 4.47Å; L113-L151 HydrophobicContact CD1-CD2 4.13Å; L126-L151 HydrophobicContact CD2-CD1 3.56Å; W129-L151 HydrophobicContact CZ3-CD1 4.05Å; A135-L151 HydrophobicContact CB-CB 4.12Å; A135-L151 HydrophobicContact CB-CD1 4.4Å; A135-L151 WeakPolarHBondContact O-CB 3.34Å; A135-L151 PolarHBondContact O-N 3.09Å; L137-L151 HydrophobicContact CB-CD1 4.1Å; L137-L151 HydrophobicContact CB-CD2 4.05Å; L137-L151 HydrophobicContact CB-CG 4.11Å; L151-S153 VanDerWaalsContact C-N 3.3Å; L151-S153 PolarHBondContact O-N 2.9Å; L151-L154 HydrophobicContact CD2-CD1 4.26Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-L154 VanDerWaalsContact O-N 3.08Å; L151-I155 HydrophobicContact CB-CD1 3.46Å; L151-I155 VanDerWaalsContact CB-CD1 3.46Å; L151-I155 HydrophobicContact CB-CG1 4.32Å; L151-I155 HydrophobicContact CD1-CD1 4.41Å; L151-I155 WeakPolarHBondContact O-CD1 3.49Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.27Å | ||
| 152 | G | 81.9 | Confident | 75.6 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.9 | -40.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | N156 | G152-N156 WeakPolarHBondContact O-CB 3.24Å; G152-N156 PolarHBondContact O-N 3.03Å; G152-N156 PolarHBondContact O-ND2 3.16Å; G152-N156 VanDerWaalsContact O-ND2 3.15Å |
| 153 | S | 73 | Confident | 73 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | 178 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | L151 G157 | L151-S153 VanDerWaalsContact C-N 3.3Å; L151-S153 PolarHBondContact O-N 2.9Å; S153-G157 PolarHBondContact O-N 3.24Å |
| 154 | L | 78.6 | Confident | 70.4 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -50.2 | 177.8 | -78.9 | 169 | 0 | 0 | 0 | 111.9 | V101 V110 L113 L151 G157 A158 H182 | V101-L154 HydrophobicContact CG2-CD1 4.25Å; V110-L154 HydrophobicContact CG1-CB 4.33Å; V110-L154 WeakPolarHBondContact CG1-O 3.27Å; L113-L154 HydrophobicContact CD2-CD1 3.42Å; L113-L154 VanDerWaalsContact CD2-CD1 3.42Å; L113-L154 HydrophobicContact CG-CD1 4.22Å; L151-L154 HydrophobicContact CD2-CD1 4.26Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-L154 VanDerWaalsContact O-N 3.08Å; L154-G157 PolarHBondContact O-N 3.22Å; L154-A158 PolarHBondContact O-N 2.84Å; L154-H182 VanDerWaalsContact CD2-CD2 3.48Å; L154-H182 WeakPolarHBondContact CD2-CD2 3.43Å; L154-H182 VanDerWaalsContact CD2-CE1 3.45Å; L154-H182 WeakPolarHBondContact CD2-CE1 3.16Å; L154-H182 WeakPolarHBondContact CD2-NE2 3.32Å |
| 155 | I | 78.7 | Confident | 67.6 | Low | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.3 | -44.7 | -174.3 | -66.3 | 157.5 | 0 | 0 | 0 | 110.7 | Y90 W129 A135 L151 G157 A158 S159 | Y90-I155 HydrophobicContact CD2-CG1 4.41Å; Y90-I155 HydrophobicContact CE2-CB 4.46Å; Y90-I155 HydrophobicContact CE2-CG1 4.1Å; Y90-I155 HydrophobicContact CE2-CG2 3.7Å; W129-I155 HydrophobicContact CH2-CD1 3.2Å; W129-I155 HydrophobicContact CH2-CG1 4.25Å; W129-I155 HydrophobicContact CZ2-CD1 4.12Å; W129-I155 HydrophobicContact CZ3-CD1 3.74Å; A135-I155 HydrophobicContact CB-CD1 4.34Å; L151-I155 HydrophobicContact CB-CD1 3.46Å; L151-I155 VanDerWaalsContact CB-CD1 3.46Å; L151-I155 HydrophobicContact CB-CG1 4.32Å; L151-I155 HydrophobicContact CD1-CD1 4.41Å; L151-I155 WeakPolarHBondContact O-CD1 3.49Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.27Å; I155-G157 PolarHBondContact O-N 2.98Å; I155-A158 PolarHBondContact O-N 2.83Å; I155-S159 PolarHBondContact O-N 3.03Å |
| 156 | N | 71.5 | Confident | 64.7 | Low | 97 Ų | 97 | 50.8 Ų | 50.8 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.6 | -24.5 | 178.1 | -65.5 | -21.6 | 0 | 0 | 0 | 112.4 | G152 S159 K160 | G152-N156 WeakPolarHBondContact O-CB 3.24Å; G152-N156 PolarHBondContact O-N 3.03Å; G152-N156 PolarHBondContact O-ND2 3.16Å; G152-N156 VanDerWaalsContact O-ND2 3.15Å; N156-S159 PolarHBondContact O-OG 2.91Å; N156-S159 VanDerWaalsContact O-OG 3.12Å; N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 2.98Å |
| 157 | G | 59.7 | Low | 61.5 | Low | 33 Ų | 33 | 54.8 Ų | 54.8 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | S153 L154 I155 K160 M161 | S153-G157 PolarHBondContact O-N 3.24Å; L154-G157 PolarHBondContact O-N 3.22Å; I155-G157 PolarHBondContact O-N 2.98Å; G157-K160 PolarHBondContact O-N 3.17Å; G157-M161 PolarHBondContact O-N 2.98Å |
| 158 | A | 54.8 | Low | 58.4 | Low | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V110 L154 I155 K160 M161 S162 | V110-A158 HydrophobicContact CG1-CB 3.78Å; V110-A158 HydrophobicContact CG2-CB 4.14Å; L154-A158 PolarHBondContact O-N 2.84Å; I155-A158 PolarHBondContact O-N 2.83Å; A158-K160 VanDerWaalsContact C-N 3.29Å; A158-K160 PolarHBondContact O-N 3.2Å; A158-M161 PolarHBondContact O-N 2.62Å; A158-S162 PolarHBondContact O-N 3.37Å; A158-S162 VanDerWaalsContact O-N 3.08Å |
| 159 | S | 50.8 | Low | 55.3 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.2 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | I155 N156 M161 S162 T163 | I155-S159 PolarHBondContact O-N 3.03Å; N156-S159 PolarHBondContact O-OG 2.91Å; N156-S159 VanDerWaalsContact O-OG 3.12Å; S159-M161 PolarHBondContact O-N 3.13Å; S159-S162 PolarHBondContact O-N 3.39Å; S159-S162 PolarHBondContact O-OG 3.48Å; S159-T163 PolarHBondContact O-N 2.84Å; S159-T163 PolarHBondContact O-OG1 2.97Å |
| 160 | K | 43.7 | Very low | 52.2 | Low | 146 Ų | 146 | 78.7 Ų | 78.7 | 64% | 0.635 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 175.5 | -73.2 | 178.6 | 178.8 | -177.1 | 0 | 113.7 | N156 G157 A158 T163 | N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 2.98Å; G157-K160 PolarHBondContact O-N 3.17Å; A158-K160 VanDerWaalsContact C-N 3.29Å; A158-K160 PolarHBondContact O-N 3.2Å; K160-T163 PolarHBondContact O-OG1 3.18Å |
| 161 | M | 34.2 | Very low | 49.2 | Very low | 116 Ų | 116 | 83.7 Ų | 83.7 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.2 | -34.8 | 174.7 | -90.8 | 172.1 | -157.7 | 0 | 0 | 112.8 | G157 A158 S159 T163 Q164 L177 | G157-M161 PolarHBondContact O-N 2.98Å; A158-M161 PolarHBondContact O-N 2.62Å; S159-M161 PolarHBondContact O-N 3.13Å; M161-T163 PolarHBondContact O-N 2.97Å; M161-Q164 PolarHBondContact O-N 3.21Å; M161-L177 HydrophobicContact CE-CD2 3.47Å; M161-L177 VanDerWaalsContact CE-CD2 3.47Å; M161-L177 HydrophobicContact SD-CD2 4.2Å |
| 162 | S | 39.4 | Very low | 46.2 | Very low | 93 Ų | 93 | 92.4 Ų | 92.4 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -19.5 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | A158 S159 | A158-S162 PolarHBondContact O-N 3.37Å; A158-S162 VanDerWaalsContact O-N 3.08Å; S159-S162 PolarHBondContact O-N 3.39Å; S159-S162 PolarHBondContact O-OG 3.48Å |
| 163 | T | 38.4 | Very low | 43.7 | Very low | 104 Ų | 104 | 96.3 Ų | 96.3 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -8.8 | 177.7 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | S159 K160 M161 S165 | S159-T163 PolarHBondContact O-N 2.84Å; S159-T163 PolarHBondContact O-OG1 2.97Å; K160-T163 PolarHBondContact O-OG1 3.18Å; M161-T163 PolarHBondContact O-N 2.97Å; T163-S165 PolarHBondContact O-N 2.85Å |
| 164 | Q | 35.5 | Very low | 41.4 | Very low | 138 Ų | 138 | 101.2 Ų | 101.2 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | trans | -90.8 | 87 | 177.8 | -75.2 | -176.6 | 0.2 | 0 | 0 | 110.3 | M161 | M161-Q164 PolarHBondContact O-N 3.21Š| ||
| 165 | S | 29.7 | Very low | 39.1 | Very low | 38 Ų | 38 | 106.1 Ų | 106.1 | 27% | 0.266 | 59% | 0.593 | S | S | . | * | trans | -52.7 | 135.7 | 167 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | T163 T167 V409 | T163-S165 PolarHBondContact O-N 2.85Å; S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 VanDerWaalsContact O-N 3.1Å; S165-V409 VanDerWaalsContact CB-CG2 3.44Å; S165-V409 VanDerWaalsContact O-CG2 3.3Å; S165-V409 WeakPolarHBondContact O-CG2 3.25Å; S165-V409 WeakPolarHBondContact OG-CA 3.33Å; S165-V409 WeakPolarHBondContact OG-CB 3.42Å; S165-V409 WeakPolarHBondContact OG-CG1 3.39Å; S165-V409 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 166 | A | 30.7 | Very low | 36.7 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -65.3 | 95.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 167 | T | 28.1 | Very low | 35 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | trans | -163.5 | 98.7 | 149.7 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | S165 V407 V409 | S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 VanDerWaalsContact O-N 3.1Å; T167-V407 HydrophobicContact CG2-CG1 3.79Å; T167-V409 HydrophobicContact CG2-CG2 4.23Å; T167-V409 WeakPolarHBondContact OG1-CG2 3.38Å | ||
| 168 | E | 29.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 117 Ų | 117 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | 174.7 | 82.5 | 141.4 | -99.2 | 174.2 | -171.5 | 0 | 0 | 107 | E170 | E168-E170 PolarHBondContact O-N 2.9Å; E168-E170 VanDerWaalsContact O-N 3.12Å | ||
| 169 | V | 29.4 | Very low | 33.1 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | trans | -80.6 | 77.7 | 166.8 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 170 | E | 28 | Very low | 33.1 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -86.3 | 120.4 | 153.6 | -84.9 | -165.2 | 158 | 0 | 0 | 108.3 | E168 | E168-E170 PolarHBondContact O-N 2.9Å; E168-E170 VanDerWaalsContact O-N 3.12Å | ||
| 171 | L | 26.6 | Very low | 34 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -50.1 | 144 | 173.9 | -69.5 | 82.6 | 0 | 0 | 0 | 109.7 | ||
| 172 | H | 27.7 | Very low | 36.1 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 85% | 0.852 | 67% | 0.67 | S | S | * | * | trans | 99.5 | 59.6 | 175.2 | -47.1 | -61.9 | 0 | 0 | 0 | 117.5 | ||||
| 173 | S | 28.3 | Very low | 38.3 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -168.2 | 52 | 140.3 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | V175 | S173-V175 PolarHBondContact O-N 2.75Š| ||
| 174 | N | 26.3 | Very low | 40.7 | Very low | 175 Ų | 175 | 119.6 Ų | 119.6 | 94% | 0.936 | 65% | 0.645 | S | S | * | * | trans | -72.5 | 25.9 | 168.5 | -85 | -15.3 | 0 | 0 | 0 | 113.9 | ||||
| 175 | V | 28.8 | Very low | 43.3 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -144.7 | 95 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 106.7 | S173 | S173-V175 PolarHBondContact O-N 2.75Š|
| 176 | N | 28.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 156.5 | -3.8 | 145.2 | -77.8 | -26.6 | 0 | 0 | 0 | 116.6 | S178 | N176-S178 PolarHBondContact O-N 2.63Å; N176-S178 VanDerWaalsContact O-N 3.13Å |
| 177 | L | 35.2 | Very low | 49.2 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -16.7 | 174.8 | -97.1 | 88.2 | 0 | 0 | 0 | 113.9 | M161 | M161-L177 HydrophobicContact CE-CD2 3.47Å; M161-L177 VanDerWaalsContact CE-CD2 3.47Å; M161-L177 HydrophobicContact SD-CD2 4.2Å |
| 178 | S | 35.7 | Very low | 52.2 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 83% | 0.825 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 11.5 | -175.3 | 57.4 | 0 | 0 | 0 | 0 | 115.3 | N176 | N176-S178 PolarHBondContact O-N 2.63Å; N176-S178 VanDerWaalsContact O-N 3.13Å |
| 179 | R | 40.3 | Very low | 54.6 | Low | 197 Ų | 197 | 112 Ų | 112 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | trans | -136.8 | 9.1 | -170.6 | -122.7 | 178.9 | -169.9 | 167.8 | 2.2 | 117.4 | K181 | R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 3.49Å | ||
| 180 | A | 49.6 | Very low | 57.2 | Low | 73 Ų | 73 | 111 Ų | 111 | 60% | 0.603 | 57% | 0.574 | S | S | * | * | trans | -70 | 94.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | H182 | A180-H182 PolarHBondContact O-CD2 2.78Å; A180-H182 PolarHBondContact O-N 3.46Å; A180-H182 VanDerWaalsContact O-N 3.14Å | ||
| 181 | K | 64.1 | Low | 59.8 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | trans | -69.1 | 109.4 | 175.5 | -62.1 | -170.2 | 176.3 | -119.9 | 0 | 108.1 | E114 R179 L183 | E114-K181 VanDerWaalsContact OE1-CD 3.32Å; E114-K181 WeakPolarHBondContact OE1-CD 3.45Å; E114-K181 WeakPolarHBondContact OE1-CE 3.37Å; E114-K181 WeakPolarHBondContact OE1-CG 3.44Å; E114-K181 IonicContact OE1-NZ 3.96Å; E114-K181 PolarHBondContact OE1-NZ 2.92Å; R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 3.49Å; K181-L183 PolarHBondContact O-N 3.22Å | ||
| 182 | H | 77.6 | Confident | 62.5 | Low | 47 Ų | 47 | 96.1 Ų | 96.1 | 22% | 0.218 | 50% | 0.502 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 104.2 | 173.2 | -69.6 | -88.6 | 0 | 0 | 0 | 108 | L113 W149 L154 A180 | L113-H182 HydrophobicContact CD2-CB 3.55Å; W149-H182 VanDerWaalsContact CZ3-O 3.26Å; W149-H182 WeakPolarHBondContact CZ3-O 3.38Å; L154-H182 VanDerWaalsContact CD2-CD2 3.48Å; L154-H182 WeakPolarHBondContact CD2-CD2 3.43Å; L154-H182 VanDerWaalsContact CD2-CE1 3.45Å; L154-H182 WeakPolarHBondContact CD2-CE1 3.16Å; L154-H182 WeakPolarHBondContact CD2-NE2 3.32Å; A180-H182 PolarHBondContact O-CD2 2.78Å; A180-H182 PolarHBondContact O-N 3.46Å; A180-H182 VanDerWaalsContact O-N 3.14Å |
| 183 | L | 84.6 | Confident | 65.1 | Low | 122 Ų | 122 | 91.7 Ų | 91.7 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | trans | -79.2 | 153.9 | 176.6 | -67 | 174.3 | 0 | 0 | 0 | 110.4 | K181 | K181-L183 PolarHBondContact O-N 3.22Š| ||
| 184 | P | 89.7 | Confident | 67.6 | Low | 20 Ų | 20 | 89.1 Ų | 89.1 | 13% | 0.13 | 47% | 0.47 | C | S | . | . | trans | -63.9 | 148.6 | 172.5 | 30.8 | -37.3 | 0 | 0 | 0 | 110 | A147 C148 W149 W186 Y187 | A147-P184 HydrophobicContact CB-CB 3.99Å; C148-P184 CarbonylContact O-C 3.47Å; C148-P184 VanDerWaalsContact O-CA 3.32Å; C148-P184 WeakPolarHBondContact O-CA 3.21Å; C148-P184 WeakPolarHBondContact O-CB 3.32Å; W149-P184 HydrophobicContact CD2-CB 4.1Å; W149-P184 VanDerWaalsContact CE3-CA 3.43Å; W149-P184 HydrophobicContact CE3-CB 3.83Å; W149-P184 HydrophobicContact CH2-CB 4.29Å; W149-P184 HydrophobicContact CH2-CG 4.47Å; W149-P184 HydrophobicContact CZ3-CB 3.92Å; W149-P184 VanDerWaalsContact CZ3-CD 3.42Å; W149-P184 HydrophobicContact CZ3-CG 4.22Å; W149-P184 VanDerWaalsContact CZ3-N 3.28Å; P184-W186 VanDerWaalsContact C-N 3.31Å; P184-Y187 HydrophobicContact CG-CD1 3.85Å | ||
| 185 | L | 89.7 | Confident | 70.4 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -61.9 | -44.5 | 171.2 | -69 | 171.7 | 0 | 0 | 0 | 110.8 | F136 C148 | F136-L185 HydrophobicContact CD1-CD1 3.41Å; F136-L185 VanDerWaalsContact CD1-CD1 3.41Å; F136-L185 HydrophobicContact CE1-CD1 3.34Å; C148-L185 PolarHBondContact O-N 3.34Å |
| 186 | W | 92.7 | Very high | 73.2 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 9% | 0.087 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 160.3 | 175.1 | 57.3 | -99.3 | 0 | 0 | 0 | 109.2 | L146 C148 P184 V188 V205 L218 D220 G221 | L146-W186 HydrophobicContact CD2-CH2 3.85Å; L146-W186 HydrophobicContact CD2-CZ3 3.67Å; L146-W186 HydrophobicContact CG-CH2 4.29Å; L146-W186 HydrophobicContact CG-CZ3 4.01Å; C148-W186 HydrophobicContact CB-CD2 3.71Å; C148-W186 HydrophobicContact CB-CE3 4.33Å; C148-W186 HydrophobicContact CB-CG 4.18Å; C148-W186 HydrophobicContact CB-CH2 4.08Å; C148-W186 HydrophobicContact CB-CZ2 3.43Å; C148-W186 VanDerWaalsContact CB-CZ2 3.43Å; C148-W186 HydrophobicContact CB-CZ3 4.48Å; C148-W186 PolarHBondContact N-O 3.29Å; P184-W186 VanDerWaalsContact C-N 3.31Å; W186-V188 HydrophobicContact CE3-CG2 4.28Å; W186-V188 HydrophobicContact CZ3-CG2 4.07Å; W186-V205 HydrophobicContact CH2-CB 4.41Å; W186-V205 HydrophobicContact CH2-CG2 4.25Å; W186-V205 HydrophobicContact CZ2-CG2 4.05Å; W186-L218 PolarHBondContact NE1-O 3.2Å; W186-D220 VanDerWaalsContact CD1-C 3.49Å; W186-G221 VanDerWaalsContact CD2-CA 3.43Å; W186-G221 VanDerWaalsContact CE2-CA 3.48Å |
| 187 | Y | 92.9 | Very high | 76.3 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160 | 177.5 | 63 | -91.7 | 0 | 0 | 0 | 111.8 | F145 L146 P184 I189 | F145-Y187 HydrophobicContact CE1-CG 4.39Å; F145-Y187 AromaticContact CE2-CD2 3.68Å; F145-Y187 HydrophobicContact CE2-CD2 3.68Å; F145-Y187 HydrophobicContact CE2-CE2 4.38Å; F145-Y187 HydrophobicContact CE2-CG 4.28Å; F145-Y187 AromaticContact CZ-CD2 3.51Å; F145-Y187 HydrophobicContact CZ-CD2 3.51Å; F145-Y187 HydrophobicContact CZ-CE2 4.43Å; F145-Y187 AromaticContact CZ-CG 3.63Å; F145-Y187 HydrophobicContact CZ-CG 3.63Å; L146-Y187 CarbonylContact O-C 3.5Å; L146-Y187 WeakPolarHBondContact O-CA 3.33Å; L146-Y187 VanDerWaalsContact O-CB 3.3Å; L146-Y187 WeakPolarHBondContact O-CB 3.45Å; P184-Y187 HydrophobicContact CG-CD1 3.85Å; Y187-I189 HydrophobicContact CD2-CG1 3.98Å; Y187-I189 HydrophobicContact CE2-CD1 3.9Å; Y187-I189 HydrophobicContact CE2-CG1 3.87Å |
| 188 | V | 89.9 | Confident | 79.2 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 120.8 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | F145 L146 W186 Q190 A191 Y216 | F145-V188 WeakPolarHBondContact CA-O 3.46Å; L146-V188 HydrophobicContact CB-CB 4.31Å; L146-V188 HydrophobicContact CD2-CG2 4.43Å; L146-V188 PolarHBondContact N-O 2.94Å; L146-V188 PolarHBondContact O-N 3.23Å; W186-V188 HydrophobicContact CE3-CG2 4.28Å; W186-V188 HydrophobicContact CZ3-CG2 4.07Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 2.92Å; V188-A191 HydrophobicContact CG1-CB 4.24Å; V188-Y216 HydrophobicContact CG2-CD1 4.38Å; V188-Y216 HydrophobicContact CG2-CE1 3.85Å |
| 189 | I | 81.5 | Confident | 82 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.1 | -173.8 | -67.1 | 169.8 | 0 | 0 | 0 | 113 | F145 Y187 L469 | F145-I189 HydrophobicContact CD2-CB 4.39Å; F145-I189 HydrophobicContact CD2-CG1 4.05Å; F145-I189 HydrophobicContact CE2-CG1 3.77Å; Y187-I189 HydrophobicContact CD2-CG1 3.98Å; Y187-I189 HydrophobicContact CE2-CD1 3.9Å; Y187-I189 HydrophobicContact CE2-CG1 3.87Å; I189-L469 HydrophobicContact CD1-CD1 4.5Å; I189-L469 HydrophobicContact CG2-CD1 4.27Å |
| 190 | Q | 83.2 | Confident | 84.5 | Confident | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.5 | 59.6 | -177.1 | -164.1 | 178.2 | -9.6 | 0 | 0 | 111 | G144 V188 S192 K214 | G144-Q190 CarbonylContact O-C 3.56Å; V188-Q190 VanDerWaalsContact C-N 3.28Å; V188-Q190 PolarHBondContact O-N 2.92Å; Q190-S192 PolarHBondContact O-N 3.12Å; Q190-K214 PolarHBondContact O-NZ 2.84Å |
| 191 | A | 81.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -61.4 | -34.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G144 L146 V188 V207 K214 | G144-A191 WeakPolarHBondContact O-CB 3.41Å; G144-A191 PolarHBondContact O-N 3.11Å; L146-A191 HydrophobicContact CB-CB 3.93Å; L146-A191 HydrophobicContact CD2-CB 4.34Å; V188-A191 HydrophobicContact CG1-CB 4.24Å; A191-V207 HydrophobicContact CB-CG1 4.09Å; A191-K214 WeakPolarHBondContact O-CE 3.39Å; A191-K214 PolarHBondContact O-NZ 2.69Å |
| 192 | S | 83.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | trans | -141.6 | 163.7 | 169.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | G144 Q190 S194 S210 | G144-S192 WeakPolarHBondContact CA-O 3.35Å; Q190-S192 PolarHBondContact O-N 3.12Å; S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 VanDerWaalsContact CB-O 3.25Å; S192-S194 WeakPolarHBondContact CB-O 3.44Å; S192-S194 PolarHBondContact OG-N 2.98Å; S192-S194 PolarHBondContact OG-O 2.94Å; S192-S194 PolarHBondContact OG-OG 2.77Å; S192-S210 PolarHBondContact OG-N 3.02Å; S192-S210 VanDerWaalsContact OG-N 3.13Å; S192-S210 PolarHBondContact OG-OG 2.79Å; S192-S210 VanDerWaalsContact OG-OG 3.13Å | ||
| 193 | T | 83.8 | Confident | 88 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -87.1 | -3.5 | 169.5 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | S210 | T193-S210 PolarHBondContact N-OG 2.89Å; T193-S210 VanDerWaalsContact OG1-CB 3.31Å; T193-S210 WeakPolarHBondContact OG1-CB 3.36Å; T193-S210 PolarHBondContact OG1-OG 3.37Å |
| 194 | S | 81 | Confident | 88.3 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -130.2 | 177.3 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 109.2 | S192 P196 | S192-S194 VanDerWaalsContact C-N 3.29Å; S192-S194 VanDerWaalsContact CB-O 3.25Å; S192-S194 WeakPolarHBondContact CB-O 3.44Å; S192-S194 PolarHBondContact OG-N 2.98Å; S192-S194 PolarHBondContact OG-O 2.94Å; S192-S194 PolarHBondContact OG-OG 2.77Å; S194-P196 WeakPolarHBondContact O-CD 3.22Å |
| 195 | H | 83.8 | Confident | 88.5 | Confident | 96 Ų | 96 | 43.7 Ų | 43.7 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | trans | -45.7 | 108.8 | 169.2 | -53.5 | 82.8 | 0 | 0 | 0 | 110.6 | I142 | I142-H195 VanDerWaalsContact CB-CD2 3.44Å; I142-H195 WeakPolarHBondContact CB-CD2 3.43Å; I142-H195 WeakPolarHBondContact CB-NE2 3.17Å; I142-H195 VanDerWaalsContact CG2-CD2 3.47Å; I142-H195 WeakPolarHBondContact CG2-CD2 3.17Å | ||
| 196 | P | 88.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -83.5 | 140.7 | -179.8 | 32.8 | -28.9 | 0 | 0 | 0 | 109.1 | T140 D141 S194 V207 G208 | T140-P196 HydrophobicContact CG2-CB 4.48Å; T140-P196 HydrophobicContact CG2-CG 3.87Å; T140-P196 PolarHBondContact OG1-O 3.45Å; D141-P196 WeakPolarHBondContact O-CD 3.5Å; S194-P196 WeakPolarHBondContact O-CD 3.22Å; P196-V207 HydrophobicContact CB-CG1 3.69Å; P196-G208 WeakPolarHBondContact CA-O 3.48Å | ||
| 197 | V | 94.2 | Very high | 88.9 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 141.7 | 168 | -73.7 | 0 | 0 | 0 | 0 | 109.1 | E123 V207 G208 L236 L238 | E123-V197 WeakPolarHBondContact OE2-CA 3.47Å; V197-V207 CarbonylContact O-C 3.5Å; V197-V207 WeakPolarHBondContact O-CA 3.45Å; V197-G208 PolarHBondContact N-O 2.94Å; V197-G208 PolarHBondContact O-N 2.8Å; V197-L236 WeakPolarHBondContact CG1-O 3.06Å; V197-L238 HydrophobicContact CG2-CD1 4.17Å; V197-L238 HydrophobicContact CG2-CG 3.84Å |
| 198 | C | 95.7 | Very high | 89 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.4 | -179.2 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | E123 K125 T140 V206 V207 | E123-C198 PolarHBondContact OE2-N 3.4Å; K125-C198 WeakPolarHBondContact CE-O 3.35Å; K125-C198 WeakPolarHBondContact CG-O 3.42Å; T140-C198 HydrophobicContact CG2-CB 4.15Å; C198-V206 CarbonylContact C-O 3.52Å; C198-V206 VanDerWaalsContact CA-O 3.26Å; C198-V206 WeakPolarHBondContact CA-O 3.48Å; C198-V207 HydrophobicContact CB-CG2 4.17Å |
| 199 | A | 94.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V206 L238 P240 | A199-V206 PolarHBondContact N-O 3.31Å; A199-V206 PolarHBondContact O-N 3.22Å; A199-L238 HydrophobicContact CB-CB 4.4Å; A199-P240 HydrophobicContact CB-CG 4.03Å |
| 200 | V | 93 | Very high | 89.4 | Confident | 26 Ų | 26 | 28.6 Ų | 28.6 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126 | 171.5 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | K125 V138 I204 L218 | K125-V200 HydrophobicContact CB-CG2 3.91Å; V138-V200 HydrophobicContact CB-CG2 4.18Å; V138-V200 HydrophobicContact CG2-CG2 3.74Å; V200-I204 WeakPolarHBondContact CA-O 3.22Å; V200-L218 HydrophobicContact CG1-CD1 4.25Å; V200-L218 HydrophobicContact CG1-CD2 4.19Å |
| 201 | M | 90.3 | Very high | 89.7 | Confident | 23 Ų | 23 | 26.8 Ų | 26.8 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 111.9 | 178.2 | -62.4 | 169.9 | 64.6 | 0 | 0 | 106.5 | D203 I204 V206 P240 L248 I262 | M201-D203 PolarHBondContact O-N 3.34Å; M201-I204 HydrophobicContact CB-CD1 4.22Å; M201-I204 HydrophobicContact CB-CG1 3.9Å; M201-I204 PolarHBondContact N-O 2.89Å; M201-I204 WeakPolarHBondContact O-CG1 3.08Å; M201-I204 PolarHBondContact O-N 2.8Å; M201-V206 HydrophobicContact SD-CG2 3.77Å; M201-P240 HydrophobicContact CE-CB 4.32Å; M201-P240 HydrophobicContact CG-CB 3.66Å; M201-P240 HydrophobicContact CG-CG 4.31Å; M201-P240 HydrophobicContact SD-CB 3.92Å; M201-L248 HydrophobicContact CE-CB 4.46Å; M201-L248 HydrophobicContact SD-CB 4.39Å; M201-L248 HydrophobicContact SD-CD1 4.2Å; M201-I262 HydrophobicContact CE-CB 4.17Å; M201-I262 HydrophobicContact SD-CD1 4.42Å |
| 202 | D | 85.1 | Confident | 90.1 | Very high | 69 Ų | 69 | 26.7 Ų | 26.7 | 37% | 0.369 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | -105.8 | -174.4 | -65.6 | -39.6 | 0 | 0 | 0 | 113.6 | ||
| 203 | D | 88.1 | Confident | 90.6 | Very high | 61 Ų | 61 | 26.7 Ų | 26.7 | 33% | 0.326 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 14.6 | -177.3 | 62.1 | -22.6 | 0 | 0 | 0 | 113.7 | M201 L218 Y219 S264 | M201-D203 PolarHBondContact O-N 3.34Å; D203-L218 VanDerWaalsContact C-CB 3.43Å; D203-L218 WeakPolarHBondContact O-CB 3.25Å; D203-L218 PolarHBondContact O-N 2.83Å; D203-Y219 HydrophobicContact CB-CD2 4.37Å; D203-Y219 HydrophobicContact CB-CE2 3.69Å; D203-S264 VanDerWaalsContact OD1-CB 3.25Å; D203-S264 WeakPolarHBondContact OD1-CB 3.28Å; D203-S264 PolarHBondContact OD1-OG 2.84Å |
| 204 | I | 92.7 | Very high | 91 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.4 | 176.6 | 61.2 | 164.4 | 0 | 0 | 0 | 112.7 | V200 M201 V206 I215 Y216 L224 I262 S264 | V200-I204 WeakPolarHBondContact CA-O 3.22Å; M201-I204 HydrophobicContact CB-CD1 4.22Å; M201-I204 HydrophobicContact CB-CG1 3.9Å; M201-I204 PolarHBondContact N-O 2.89Å; M201-I204 WeakPolarHBondContact O-CG1 3.08Å; M201-I204 PolarHBondContact O-N 2.8Å; I204-V206 HydrophobicContact CD1-CG2 3.86Å; I204-V206 HydrophobicContact CG1-CG2 4.41Å; I204-I215 HydrophobicContact CB-CG2 4.15Å; I204-I215 HydrophobicContact CD1-CG2 3.87Å; I204-I215 HydrophobicContact CG2-CG2 4.38Å; I204-Y216 CarbonylContact C-O 3.5Å; I204-Y216 VanDerWaalsContact CA-O 3.26Å; I204-Y216 WeakPolarHBondContact CA-O 3.19Å; I204-Y216 WeakPolarHBondContact CB-O 3.28Å; I204-L224 HydrophobicContact CB-CD1 4.45Å; I204-L224 HydrophobicContact CG2-CD1 3.4Å; I204-L224 VanDerWaalsContact CG2-CD1 3.4Å; I204-I262 HydrophobicContact CD1-CG2 3.25Å; I204-S264 WeakPolarHBondContact CG2-OG 3.18Å |
| 205 | V | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.2 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | V138 L146 W186 V207 Y216 L218 | V138-V205 HydrophobicContact CG1-CG1 3.84Å; V138-V205 HydrophobicContact CG2-CG1 4.27Å; V138-V205 HydrophobicContact CG2-CG2 3.69Å; L146-V205 HydrophobicContact CD1-CG1 4.41Å; W186-V205 HydrophobicContact CH2-CB 4.41Å; W186-V205 HydrophobicContact CH2-CG2 4.25Å; W186-V205 HydrophobicContact CZ2-CG2 4.05Å; V205-V207 HydrophobicContact CG1-CG2 3.95Å; V205-Y216 PolarHBondContact N-O 3.33Å; V205-Y216 PolarHBondContact O-N 2.96Å; V205-L218 HydrophobicContact CG2-CB 4.3Å; V205-L218 HydrophobicContact CG2-CD1 3.46Å; V205-L218 VanDerWaalsContact CG2-CD1 3.46Å; V205-L218 HydrophobicContact CG2-CG 4.49Å |
| 206 | V | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.5 | 177 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | C198 A199 M201 I204 L213 K214 L238 L248 I262 | C198-V206 CarbonylContact C-O 3.52Å; C198-V206 VanDerWaalsContact CA-O 3.26Å; C198-V206 WeakPolarHBondContact CA-O 3.48Å; A199-V206 PolarHBondContact N-O 3.31Å; A199-V206 PolarHBondContact O-N 3.22Å; M201-V206 HydrophobicContact SD-CG2 3.77Å; I204-V206 HydrophobicContact CD1-CG2 3.86Å; I204-V206 HydrophobicContact CG1-CG2 4.41Å; V206-L213 HydrophobicContact CG1-CD1 3.3Å; V206-L213 HydrophobicContact CG1-CD2 3.7Å; V206-L213 HydrophobicContact CG1-CG 3.45Å; V206-L213 VanDerWaalsContact CG1-CG 3.45Å; V206-K214 WeakPolarHBondContact CA-O 3.47Å; V206-L238 HydrophobicContact CG1-CD1 4.33Å; V206-L248 HydrophobicContact CB-CD2 4.46Å; V206-L248 HydrophobicContact CG1-CD2 3.68Å; V206-I262 HydrophobicContact CG1-CD1 4.36Å; V206-I262 HydrophobicContact CG2-CD1 3.99Å |
| 207 | V | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.5 | -175.8 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | L146 A191 P196 V197 C198 V205 L213 K214 Y216 | L146-V207 HydrophobicContact CD1-CG2 4.08Å; L146-V207 HydrophobicContact CD2-CG2 3.71Å; A191-V207 HydrophobicContact CB-CG1 4.09Å; P196-V207 HydrophobicContact CB-CG1 3.69Å; V197-V207 CarbonylContact O-C 3.5Å; V197-V207 WeakPolarHBondContact O-CA 3.45Å; C198-V207 HydrophobicContact CB-CG2 4.17Å; V205-V207 HydrophobicContact CG1-CG2 3.95Å; V207-L213 CarbonylContact O-C 3.48Å; V207-L213 WeakPolarHBondContact O-CA 3.31Å; V207-K214 PolarHBondContact N-O 2.78Å; V207-K214 PolarHBondContact O-N 3.32Å; V207-Y216 HydrophobicContact CB-CE2 4.25Å; V207-Y216 HydrophobicContact CG2-CD2 4.09Å; V207-Y216 HydrophobicContact CG2-CE2 3.99Å |
| 208 | G | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 145.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P196 V197 G212 | P196-G208 WeakPolarHBondContact CA-O 3.48Å; V197-G208 PolarHBondContact N-O 2.94Å; V197-G208 PolarHBondContact O-N 2.8Å; G208-G212 WeakPolarHBondContact CA-O 3.14Å |
| 209 | G | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | -152 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q211 G212 G234 L235 | G209-Q211 PolarHBondContact O-N 2.93Å; G209-Q211 VanDerWaalsContact O-N 3.13Å; G209-G212 PolarHBondContact N-O 3.26Å; G209-G212 PolarHBondContact O-N 3.39Å; G209-G212 VanDerWaalsContact O-N 3.16Å; G209-G234 WeakPolarHBondContact O-CA 3.41Å; G209-L235 WeakPolarHBondContact CA-O 3.27Å; G209-L235 PolarHBondContact O-N 2.83Å |
| 210 | S | 88.5 | Confident | 91.5 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.7 | -179 | 58.7 | 0 | 0 | 0 | 0 | 115.9 | S192 T193 | S192-S210 PolarHBondContact OG-N 3.02Å; S192-S210 VanDerWaalsContact OG-N 3.13Å; S192-S210 PolarHBondContact OG-OG 2.79Å; S192-S210 VanDerWaalsContact OG-OG 3.13Å; T193-S210 PolarHBondContact N-OG 2.89Å; T193-S210 VanDerWaalsContact OG1-CB 3.31Å; T193-S210 WeakPolarHBondContact OG1-CB 3.36Å; T193-S210 PolarHBondContact OG1-OG 3.37Å |
| 211 | Q | 88.1 | Confident | 91.4 | Very high | 79 Ų | 79 | 28.1 Ų | 28.1 | 37% | 0.369 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 14.1 | -176.9 | -65.1 | 179.5 | -14.1 | 0 | 0 | 112.7 | G209 | G209-Q211 PolarHBondContact O-N 2.93Å; G209-Q211 VanDerWaalsContact O-N 3.13Å |
| 212 | G | 91.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.1 | -143.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G208 G209 L228 | G208-G212 WeakPolarHBondContact CA-O 3.14Å; G209-G212 PolarHBondContact N-O 3.26Å; G209-G212 PolarHBondContact O-N 3.39Å; G209-G212 VanDerWaalsContact O-N 3.16Å; G212-L228 VanDerWaalsContact CA-O 3.23Å; G212-L228 WeakPolarHBondContact CA-O 3.41Å |
| 213 | L | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.1 | -176.6 | -159.9 | 73.4 | 0 | 0 | 0 | 110 | V206 V207 S226 L227 L228 L235 L238 L248 I262 | V206-L213 HydrophobicContact CG1-CD1 3.3Å; V206-L213 HydrophobicContact CG1-CD2 3.7Å; V206-L213 HydrophobicContact CG1-CG 3.45Å; V206-L213 VanDerWaalsContact CG1-CG 3.45Å; V207-L213 CarbonylContact O-C 3.48Å; V207-L213 WeakPolarHBondContact O-CA 3.31Å; L213-S226 CarbonylContact O-C 3.57Å; L213-S226 WeakPolarHBondContact O-CA 3.47Å; L213-S226 WeakPolarHBondContact O-CB 3.48Å; L213-S226 PolarHBondContact O-OG 2.82Å; L213-L227 WeakPolarHBondContact CA-O 3.28Å; L213-L227 HydrophobicContact CB-CB 4.2Å; L213-L227 VanDerWaalsContact CB-O 3.31Å; L213-L227 WeakPolarHBondContact CB-O 3.35Å; L213-L227 HydrophobicContact CD2-CB 4.21Å; L213-L227 HydrophobicContact CD2-CD1 4.36Å; L213-L227 PolarHBondContact N-O 3.16Å; L213-L227 PolarHBondContact O-N 3.49Å; L213-L228 HydrophobicContact CB-CB 4.49Å; L213-L235 HydrophobicContact CB-CD1 3.97Å; L213-L235 HydrophobicContact CD1-CD1 3.81Å; L213-L238 HydrophobicContact CD1-CD1 4.14Å; L213-L238 HydrophobicContact CD1-CD2 3.68Å; L213-L248 HydrophobicContact CD1-CD2 4.12Å; L213-L248 HydrophobicContact CD2-CD2 3.64Å; L213-L248 HydrophobicContact CG-CD2 4.48Å; L213-I262 HydrophobicContact CD2-CD1 3.98Å |
| 214 | K | 92.7 | Very high | 91.9 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.9 | 172.1 | -66.1 | -178.3 | -175.1 | 164.9 | 0 | 109.6 | Q190 A191 V206 V207 Y216 | Q190-K214 PolarHBondContact O-NZ 2.84Å; A191-K214 WeakPolarHBondContact O-CE 3.39Å; A191-K214 PolarHBondContact O-NZ 2.69Å; V206-K214 WeakPolarHBondContact CA-O 3.47Å; V207-K214 PolarHBondContact N-O 2.78Å; V207-K214 PolarHBondContact O-N 3.32Å; K214-Y216 HydrophobicContact CB-CD2 4.45Å; K214-Y216 HydrophobicContact CB-CE2 3.61Å; K214-Y216 HydrophobicContact CD-CE2 4.47Å; K214-Y216 VanDerWaalsContact CD-OH 3.25Å; K214-Y216 WeakPolarHBondContact CD-OH 3.37Å |
| 215 | I | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.5 | -177.2 | -51.4 | 174.2 | 0 | 0 | 0 | 108 | I204 L224 G225 L227 I262 Y269 | I204-I215 HydrophobicContact CB-CG2 4.15Å; I204-I215 HydrophobicContact CD1-CG2 3.87Å; I204-I215 HydrophobicContact CG2-CG2 4.38Å; I215-L224 HydrophobicContact CB-CB 4.38Å; I215-L224 HydrophobicContact CG2-CB 4.1Å; I215-L224 HydrophobicContact CG2-CD1 4.19Å; I215-L224 PolarHBondContact O-N 3.22Å; I215-G225 PolarHBondContact N-O 3.49Å; I215-G225 PolarHBondContact O-N 2.76Å; I215-L227 HydrophobicContact CD1-CD1 4.01Å; I215-L227 HydrophobicContact CD1-CG 4.32Å; I215-I262 HydrophobicContact CD1-CD1 4Å; I215-I262 HydrophobicContact CD1-CG1 4.21Å; I215-I262 HydrophobicContact CD1-CG2 4.42Å; I215-Y269 HydrophobicContact CD1-CD1 3.58Å; I215-Y269 HydrophobicContact CD1-CE1 4.27Å; I215-Y269 HydrophobicContact CD1-CG 3.94Å; I215-Y269 HydrophobicContact CG2-CE1 4.23Å |
| 216 | Y | 93.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144 | 179.3 | -57.2 | -91.1 | 0 | 0 | 0 | 109.7 | L146 V188 I204 V205 V207 K214 C222 V223 | L146-Y216 HydrophobicContact CD2-CD2 4.08Å; L146-Y216 HydrophobicContact CD2-CE2 4.02Å; V188-Y216 HydrophobicContact CG2-CD1 4.38Å; V188-Y216 HydrophobicContact CG2-CE1 3.85Å; I204-Y216 CarbonylContact C-O 3.5Å; I204-Y216 VanDerWaalsContact CA-O 3.26Å; I204-Y216 WeakPolarHBondContact CA-O 3.19Å; I204-Y216 WeakPolarHBondContact CB-O 3.28Å; V205-Y216 PolarHBondContact N-O 3.33Å; V205-Y216 PolarHBondContact O-N 2.96Å; V207-Y216 HydrophobicContact CB-CE2 4.25Å; V207-Y216 HydrophobicContact CG2-CD2 4.09Å; V207-Y216 HydrophobicContact CG2-CE2 3.99Å; K214-Y216 HydrophobicContact CB-CD2 4.45Å; K214-Y216 HydrophobicContact CB-CE2 3.61Å; K214-Y216 HydrophobicContact CD-CE2 4.47Å; K214-Y216 VanDerWaalsContact CD-OH 3.25Å; K214-Y216 WeakPolarHBondContact CD-OH 3.37Å; Y216-C222 CarbonylContact C-O 3.54Å; Y216-C222 VanDerWaalsContact CA-O 3.28Å; Y216-C222 WeakPolarHBondContact CA-O 2.95Å; Y216-V223 HydrophobicContact CD1-CG2 3.93Å; Y216-V223 HydrophobicContact CE1-CG2 3.7Å |
| 217 | A | 92.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y219 D220 G221 C222 L224 | A217-Y219 VanDerWaalsContact C-N 3.32Å; A217-Y219 PolarHBondContact O-N 2.7Å; A217-D220 WeakPolarHBondContact CB-OD1 3.17Å; A217-G221 VanDerWaalsContact O-CA 3.28Å; A217-G221 WeakPolarHBondContact O-CA 3.15Å; A217-G221 PolarHBondContact O-N 3.3Å; A217-C222 HydrophobicContact CB-CB 4.24Å; A217-C222 PolarHBondContact N-O 2.91Å; A217-L224 HydrophobicContact CB-CD1 4.01Å; A217-L224 HydrophobicContact CB-CD2 4.23Å; A217-L224 HydrophobicContact CB-CG 4.18Å |
| 218 | L | 91.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.1 | -175.1 | 179.1 | 65.1 | 0 | 0 | 0 | 112.6 | F136 V138 W186 V200 D203 V205 | F136-L218 HydrophobicContact CB-CD1 4.11Å; F136-L218 HydrophobicContact CB-CG 4.47Å; F136-L218 HydrophobicContact CD2-CD2 3.65Å; F136-L218 HydrophobicContact CD2-CG 3.99Å; F136-L218 HydrophobicContact CE2-CD2 4.18Å; F136-L218 HydrophobicContact CE2-CG 4.46Å; F136-L218 HydrophobicContact CG-CD1 4.38Å; F136-L218 HydrophobicContact CG-CD2 4.3Å; F136-L218 HydrophobicContact CG-CG 4.24Å; V138-L218 HydrophobicContact CG2-CD1 4.04Å; W186-L218 PolarHBondContact NE1-O 3.2Å; V200-L218 HydrophobicContact CG1-CD1 4.25Å; V200-L218 HydrophobicContact CG1-CD2 4.19Å; D203-L218 VanDerWaalsContact C-CB 3.43Å; D203-L218 WeakPolarHBondContact O-CB 3.25Å; D203-L218 PolarHBondContact O-N 2.83Å; V205-L218 HydrophobicContact CG2-CB 4.3Å; V205-L218 HydrophobicContact CG2-CD1 3.46Å; V205-L218 VanDerWaalsContact CG2-CD1 3.46Å; V205-L218 HydrophobicContact CG2-CG 4.49Å |
| 219 | Y | 89.6 | Confident | 90.8 | Very high | 137 Ų | 137 | 40.8 Ų | 40.8 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -39.6 | -170.5 | -64.1 | -73.3 | 0 | 0 | 0 | 113.8 | P134 F136 D203 A217 | P134-Y219 HydrophobicContact CG-CE1 4.27Å; F136-Y219 HydrophobicContact CE1-CD1 4.44Å; F136-Y219 AromaticContact CE2-CD1 3.81Å; F136-Y219 HydrophobicContact CE2-CD1 3.81Å; F136-Y219 AromaticContact CE2-CE1 3.42Å; F136-Y219 HydrophobicContact CE2-CE1 3.42Å; F136-Y219 VanDerWaalsContact CE2-CE1 3.42Å; F136-Y219 AromaticContact CZ-CD1 3.49Å; F136-Y219 HydrophobicContact CZ-CD1 3.49Å; F136-Y219 VanDerWaalsContact CZ-CD1 3.49Å; F136-Y219 AromaticContact CZ-CE1 3.52Å; F136-Y219 HydrophobicContact CZ-CE1 3.52Å; D203-Y219 HydrophobicContact CB-CD2 4.37Å; D203-Y219 HydrophobicContact CB-CE2 3.69Å; A217-Y219 VanDerWaalsContact C-N 3.32Å; A217-Y219 PolarHBondContact O-N 2.7Å |
| 220 | D | 89.1 | Confident | 90.5 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | -7.6 | -172.2 | 64.3 | 2.4 | 0 | 0 | 0 | 114 | W186 A217 C222 | W186-D220 VanDerWaalsContact CD1-C 3.49Å; A217-D220 WeakPolarHBondContact CB-OD1 3.17Å; D220-C222 VanDerWaalsContact C-N 3.26Å; D220-C222 PolarHBondContact O-N 2.8Å; D220-C222 WeakPolarHBondContact OD1-CB 3.33Å; D220-C222 PolarHBondContact OD1-N 3.28Å; D220-C222 PolarHBondContact OD2-SG 3.33Å |
| 221 | G | 90.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | trans | 74.8 | 12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W186 A217 V223 | W186-G221 VanDerWaalsContact CD2-CA 3.43Å; W186-G221 VanDerWaalsContact CE2-CA 3.48Å; A217-G221 VanDerWaalsContact O-CA 3.28Å; A217-G221 WeakPolarHBondContact O-CA 3.15Å; A217-G221 PolarHBondContact O-N 3.3Å; G221-V223 PolarHBondContact O-N 2.74Å | ||
| 222 | C | 91 | Very high | 90.4 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | trans | -59.5 | 134.3 | 175.6 | -78.8 | 0 | 0 | 0 | 0 | 110.7 | Y216 A217 D220 L224 | Y216-C222 CarbonylContact C-O 3.54Å; Y216-C222 VanDerWaalsContact CA-O 3.28Å; Y216-C222 WeakPolarHBondContact CA-O 2.95Å; A217-C222 HydrophobicContact CB-CB 4.24Å; A217-C222 PolarHBondContact N-O 2.91Å; D220-C222 VanDerWaalsContact C-N 3.26Å; D220-C222 PolarHBondContact O-N 2.8Å; D220-C222 WeakPolarHBondContact OD1-CB 3.33Å; D220-C222 PolarHBondContact OD1-N 3.28Å; D220-C222 PolarHBondContact OD2-SG 3.33Å; C222-L224 PolarHBondContact O-N 3.02Å | ||
| 223 | V | 91.2 | Very high | 90.2 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 62% | 0.624 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.8 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | Y216 G221 | Y216-V223 HydrophobicContact CD1-CG2 3.93Å; Y216-V223 HydrophobicContact CE1-CG2 3.7Å; G221-V223 PolarHBondContact O-N 2.74Å |
| 224 | L | 90.4 | Very high | 90.2 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -31.2 | -179.1 | -61.2 | 175.8 | 0 | 0 | 0 | 111.9 | I204 I215 A217 C222 Y269 | I204-L224 HydrophobicContact CB-CD1 4.45Å; I204-L224 HydrophobicContact CG2-CD1 3.4Å; I204-L224 VanDerWaalsContact CG2-CD1 3.4Å; I215-L224 HydrophobicContact CB-CB 4.38Å; I215-L224 HydrophobicContact CG2-CB 4.1Å; I215-L224 HydrophobicContact CG2-CD1 4.19Å; I215-L224 PolarHBondContact O-N 3.22Å; A217-L224 HydrophobicContact CB-CD1 4.01Å; A217-L224 HydrophobicContact CB-CD2 4.23Å; A217-L224 HydrophobicContact CB-CG 4.18Å; C222-L224 PolarHBondContact O-N 3.02Å; L224-Y269 HydrophobicContact CB-CE2 3.94Å; L224-Y269 WeakPolarHBondContact CD1-OH 3.05Å |
| 225 | G | 89.1 | Confident | 90.3 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I215 | I215-G225 PolarHBondContact N-O 3.49Å; I215-G225 PolarHBondContact O-N 2.76Å |
| 226 | S | 90.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.1 | 172.1 | -174 | 0 | 0 | 0 | 0 | 110.4 | L213 T229 | L213-S226 CarbonylContact O-C 3.57Å; L213-S226 WeakPolarHBondContact O-CA 3.47Å; L213-S226 WeakPolarHBondContact O-CB 3.48Å; L213-S226 PolarHBondContact O-OG 2.82Å; S226-T229 VanDerWaalsContact OG-CG2 3.29Å; S226-T229 WeakPolarHBondContact OG-CG2 3.44Å |
| 227 | L | 91.5 | Very high | 90.5 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 165.1 | -179.9 | -61.2 | 176 | 0 | 0 | 0 | 109.2 | L213 I215 T229 A260 I262 A271 | L213-L227 WeakPolarHBondContact CA-O 3.28Å; L213-L227 HydrophobicContact CB-CB 4.2Å; L213-L227 VanDerWaalsContact CB-O 3.31Å; L213-L227 WeakPolarHBondContact CB-O 3.35Å; L213-L227 HydrophobicContact CD2-CB 4.21Å; L213-L227 HydrophobicContact CD2-CD1 4.36Å; L213-L227 PolarHBondContact N-O 3.16Å; L213-L227 PolarHBondContact O-N 3.49Å; I215-L227 HydrophobicContact CD1-CD1 4.01Å; I215-L227 HydrophobicContact CD1-CG 4.32Å; L227-T229 PolarHBondContact O-N 2.8Å; L227-A260 HydrophobicContact CD1-CB 4.46Å; L227-I262 HydrophobicContact CD1-CG1 4.17Å; L227-A271 HydrophobicContact CB-CB 4.08Å; L227-A271 HydrophobicContact CD1-CB 4.27Å; L227-A271 HydrophobicContact CD2-CB 4.14Å; L227-A271 HydrophobicContact CG-CB 4.41Å |
| 228 | L | 88.8 | Confident | 90.7 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | trans | 52.4 | 33.9 | 172.9 | -57.9 | 177.7 | 0 | 0 | 0 | 114.4 | G212 L213 N230 V231 L235 C250 Y258 A271 K273 | G212-L228 VanDerWaalsContact CA-O 3.23Å; G212-L228 WeakPolarHBondContact CA-O 3.41Å; L213-L228 HydrophobicContact CB-CB 4.49Å; L228-N230 PolarHBondContact O-N 2.84Å; L228-V231 HydrophobicContact CB-CG2 3.95Å; L228-V231 WeakPolarHBondContact O-CG2 3.2Å; L228-L235 HydrophobicContact CB-CD1 4.41Å; L228-L235 HydrophobicContact CD1-CD1 4.21Å; L228-C250 HydrophobicContact CD1-CB 4.06Å; L228-Y258 HydrophobicContact CD1-CG 4.43Å; L228-Y258 HydrophobicContact CD2-CD1 4.29Å; L228-A271 HydrophobicContact CD2-CB 3.93Å; L228-A271 HydrophobicContact CG-CB 4.18Å; L228-K273 HydrophobicContact CD2-CG 4.07Å | ||
| 229 | T | 88.6 | Confident | 90.9 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.3 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 114 | S226 L227 | S226-T229 VanDerWaalsContact OG-CG2 3.29Å; S226-T229 WeakPolarHBondContact OG-CG2 3.44Å; L227-T229 PolarHBondContact O-N 2.8Å |
| 230 | N | 85.8 | Confident | 91.1 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 43.4 | -177.6 | -63.9 | -17.7 | 0 | 0 | 0 | 112.3 | L228 | L228-N230 PolarHBondContact O-N 2.84Š|
| 231 | V | 87.9 | Confident | 91.2 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | trans | -97.8 | 119.6 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | L228 G233 G234 L235 Y258 | L228-V231 HydrophobicContact CB-CG2 3.95Å; L228-V231 WeakPolarHBondContact O-CG2 3.2Å; V231-G233 PolarHBondContact O-N 2.83Å; V231-G234 PolarHBondContact O-N 3.07Å; V231-G234 VanDerWaalsContact O-N 3.12Å; V231-L235 HydrophobicContact CB-CD2 4.42Å; V231-L235 HydrophobicContact CG1-CD2 4.04Å; V231-L235 HydrophobicContact CG2-CD2 4.27Å; V231-Y258 HydrophobicContact CG1-CE2 3.7Å; V231-Y258 HydrophobicContact CG2-CD1 4.48Å; V231-Y258 HydrophobicContact CG2-CD2 4.49Å; V231-Y258 HydrophobicContact CG2-CE1 4.04Å; V231-Y258 HydrophobicContact CG2-CE2 4.06Å | ||
| 232 | S | 87.2 | Confident | 91.1 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.2 | -178.1 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | G234 N253 | S232-G234 PolarHBondContact O-N 2.79Å; S232-N253 PolarHBondContact O-ND2 3.4Å |
| 233 | G | 86.9 | Confident | 90.8 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 12.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V231 N253 | V231-G233 PolarHBondContact O-N 2.83Å; G233-N253 VanDerWaalsContact C-ND2 3.28Å; G233-N253 VanDerWaalsContact CA-ND2 3.26Å; G233-N253 WeakPolarHBondContact CA-ND2 3.38Å; G233-N253 PolarHBondContact O-ND2 2.99Å; G233-N253 VanDerWaalsContact O-ND2 3.13Å |
| 234 | G | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | 78.8 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G209 V231 S232 | G209-G234 WeakPolarHBondContact O-CA 3.41Å; V231-G234 PolarHBondContact O-N 3.07Å; V231-G234 VanDerWaalsContact O-N 3.12Å; S232-G234 PolarHBondContact O-N 2.79Å | ||
| 235 | L | 94.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -92.1 | 135.1 | 174.8 | -60 | 177.2 | 0 | 0 | 0 | 110.3 | G209 L213 L228 V231 L238 C250 G251 Y258 | G209-L235 WeakPolarHBondContact CA-O 3.27Å; G209-L235 PolarHBondContact O-N 2.83Å; L213-L235 HydrophobicContact CB-CD1 3.97Å; L213-L235 HydrophobicContact CD1-CD1 3.81Å; L228-L235 HydrophobicContact CB-CD1 4.41Å; L228-L235 HydrophobicContact CD1-CD1 4.21Å; V231-L235 HydrophobicContact CB-CD2 4.42Å; V231-L235 HydrophobicContact CG1-CD2 4.04Å; V231-L235 HydrophobicContact CG2-CD2 4.27Å; L235-L238 HydrophobicContact CD1-CD2 4.47Å; L235-C250 HydrophobicContact CD1-CB 4.1Å; L235-C250 HydrophobicContact CD2-CB 3.83Å; L235-G251 WeakPolarHBondContact CA-O 3.41Å; L235-Y258 HydrophobicContact CD2-CD2 4.11Å; L235-Y258 HydrophobicContact CD2-CE2 4.45Å | ||
| 236 | L | 95 | Very high | 89.8 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | trans | -116.9 | -16 | -170.8 | -64 | 178.9 | 0 | 0 | 0 | 113.8 | V197 G251 N253 A290 I291 T292 | V197-L236 WeakPolarHBondContact CG1-O 3.06Å; L236-G251 PolarHBondContact N-O 3.49Å; L236-N253 WeakPolarHBondContact CD1-OD1 2.95Å; L236-A290 HydrophobicContact CD1-CB 3.74Å; L236-I291 WeakPolarHBondContact CB-O 3.12Å; L236-T292 HydrophobicContact CD1-CG2 4.48Å | ||
| 237 | S | 95.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 149.6 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | C250 G251 I291 M294 | S237-C250 WeakPolarHBondContact O-CA 3.46Å; S237-G251 PolarHBondContact O-N 3.13Å; S237-I291 PolarHBondContact OG-O 3.23Å; S237-M294 WeakPolarHBondContact O-CE 3.19Å; S237-M294 WeakPolarHBondContact OG-CE 3.42Å |
| 238 | L | 96.4 | Very high | 89.8 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.5 | 176.5 | -61.6 | 178.1 | 0 | 0 | 0 | 109.5 | V197 A199 V206 L213 L235 L248 F249 C250 | V197-L238 HydrophobicContact CG2-CD1 4.17Å; V197-L238 HydrophobicContact CG2-CG 3.84Å; A199-L238 HydrophobicContact CB-CB 4.4Å; V206-L238 HydrophobicContact CG1-CD1 4.33Å; L213-L238 HydrophobicContact CD1-CD1 4.14Å; L213-L238 HydrophobicContact CD1-CD2 3.68Å; L235-L238 HydrophobicContact CD1-CD2 4.47Å; L238-L248 HydrophobicContact CB-CD1 4.3Å; L238-L248 HydrophobicContact CD2-CD2 4.49Å; L238-F249 CarbonylContact C-O 3.53Å; L238-F249 WeakPolarHBondContact CA-O 3.17Å; L238-C250 HydrophobicContact CD2-CB 3.99Å; L238-C250 VanDerWaalsContact CD2-SG 3.57Å |
| 239 | C | 95.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 98.8 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | F249 M294 M296 | C239-F249 HydrophobicContact CB-CB 4.37Å; C239-F249 PolarHBondContact N-O 3.19Å; C239-F249 WeakPolarHBondContact O-CD2 3.35Å; C239-F249 PolarHBondContact O-N 3.46Å; C239-M294 HydrophobicContact CB-CB 3.73Å; C239-M294 HydrophobicContact CB-CE 3.89Å; C239-M296 PolarHBondContact SG-N 3.47Å |
| 240 | P | 94.1 | Very high | 90.5 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 147.4 | 171.8 | 30.8 | -35.1 | 0 | 0 | 0 | 110.3 | A199 M201 L248 | A199-P240 HydrophobicContact CB-CG 4.03Å; M201-P240 HydrophobicContact CE-CB 4.32Å; M201-P240 HydrophobicContact CG-CB 3.66Å; M201-P240 HydrophobicContact CG-CG 4.31Å; M201-P240 HydrophobicContact SD-CB 3.92Å; P240-L248 HydrophobicContact CB-CD1 4.1Å |
| 241 | S | 92.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -73.8 | 132.1 | 171.5 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | D243 N247 | S241-D243 WeakPolarHBondContact CB-OD1 3.35Å; S241-D243 PolarHBondContact O-N 3.31Å; S241-D243 PolarHBondContact OG-OD1 3.12Å; S241-N247 WeakPolarHBondContact CB-O 3.44Å; S241-N247 PolarHBondContact N-O 3.04Å | ||
| 242 | P | 88 | Confident | 91.2 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8.4 | -178 | 28.2 | -32.1 | 0 | 0 | 0 | 114.2 | N244 M296 C300 | P242-N244 VanDerWaalsContact C-N 3.26Å; P242-N244 PolarHBondContact O-N 2.8Å; P242-M296 VanDerWaalsContact CD-SD 3.57Å; P242-M296 HydrophobicContact CG-CG 4.47Å; P242-C300 WeakPolarHBondContact CD-SG 3.42Å; P242-C300 WeakPolarHBondContact CG-SG 3.42Å |
| 243 | D | 85.7 | Confident | 91.5 | Very high | 85 Ų | 85 | 28.5 Ų | 28.5 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 7.4 | -178.8 | 67.7 | -12.7 | 0 | 0 | 0 | 115.3 | S241 S245 | S241-D243 WeakPolarHBondContact CB-OD1 3.35Å; S241-D243 PolarHBondContact O-N 3.31Å; S241-D243 PolarHBondContact OG-OD1 3.12Å; D243-S245 PolarHBondContact O-N 2.99Å; D243-S245 VanDerWaalsContact O-N 3.12Å; D243-S245 WeakPolarHBondContact OD1-CB 3.35Å; D243-S245 PolarHBondContact OD1-N 2.85Å; D243-S245 VanDerWaalsContact OD1-N 3.09Å; D243-S245 PolarHBondContact OD1-OG 3.13Å; D243-S245 WeakPolarHBondContact OD2-CB 3.49Å; D243-S245 PolarHBondContact OD2-OG 3.27Å |
| 244 | N | 78.4 | Confident | 91.7 | Very high | 106 Ų | 106 | 29.7 Ų | 29.7 | 57% | 0.567 | 17% | 0.169 | S | C | * | . | S | Bend | trans | 56 | 19.5 | -174.1 | -59.5 | -18.1 | 0 | 0 | 0 | 114.6 | P242 G246 | P242-N244 VanDerWaalsContact C-N 3.26Å; P242-N244 PolarHBondContact O-N 2.8Å; N244-G246 PolarHBondContact O-N 3.16Å; N244-G246 VanDerWaalsContact O-N 3.15Å |
| 245 | S | 83.8 | Confident | 91.8 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -65.1 | -14.4 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | D243 N247 | D243-S245 PolarHBondContact O-N 2.99Å; D243-S245 VanDerWaalsContact O-N 3.12Å; D243-S245 WeakPolarHBondContact OD1-CB 3.35Å; D243-S245 PolarHBondContact OD1-N 2.85Å; D243-S245 VanDerWaalsContact OD1-N 3.09Å; D243-S245 PolarHBondContact OD1-OG 3.13Å; D243-S245 WeakPolarHBondContact OD2-CB 3.49Å; D243-S245 PolarHBondContact OD2-OG 3.27Å; S245-N247 WeakPolarHBondContact OG-CB 3.39Å; S245-N247 PolarHBondContact OG-N 3.13Å; S245-N247 PolarHBondContact OG-ND2 2.97Å |
| 246 | G | 86.4 | Confident | 91.7 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | trans | 82.9 | -2.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N244 L248 I262 | N244-G246 PolarHBondContact O-N 3.16Å; N244-G246 VanDerWaalsContact O-N 3.15Å; G246-L248 PolarHBondContact O-N 2.8Å; G246-I262 WeakPolarHBondContact CA-O 3.44Å; G246-I262 PolarHBondContact O-N 2.97Å | ||
| 247 | N | 90.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.6 | 179.8 | -69.5 | -27.6 | 0 | 0 | 0 | 111.3 | S241 S245 | S241-N247 WeakPolarHBondContact CB-O 3.44Å; S241-N247 PolarHBondContact N-O 3.04Å; S245-N247 WeakPolarHBondContact OG-CB 3.39Å; S245-N247 PolarHBondContact OG-N 3.13Å; S245-N247 PolarHBondContact OG-ND2 2.97Å |
| 248 | L | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.8 | 177.2 | 176.5 | 69.4 | 0 | 0 | 0 | 109.8 | M201 V206 L213 L238 P240 G246 T259 A260 I262 | M201-L248 HydrophobicContact CE-CB 4.46Å; M201-L248 HydrophobicContact SD-CB 4.39Å; M201-L248 HydrophobicContact SD-CD1 4.2Å; V206-L248 HydrophobicContact CB-CD2 4.46Å; V206-L248 HydrophobicContact CG1-CD2 3.68Å; L213-L248 HydrophobicContact CD1-CD2 4.12Å; L213-L248 HydrophobicContact CD2-CD2 3.64Å; L213-L248 HydrophobicContact CG-CD2 4.48Å; L238-L248 HydrophobicContact CB-CD1 4.3Å; L238-L248 HydrophobicContact CD2-CD2 4.49Å; P240-L248 HydrophobicContact CB-CD1 4.1Å; G246-L248 PolarHBondContact O-N 2.8Å; L248-T259 CarbonylContact O-C 3.52Å; L248-A260 HydrophobicContact CB-CB 4.48Å; L248-A260 PolarHBondContact N-O 2.63Å; L248-A260 PolarHBondContact O-N 2.84Å; L248-I262 HydrophobicContact CB-CD1 4.27Å; L248-I262 HydrophobicContact CD2-CD1 3.6Å |
| 249 | F | 94.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133 | 172.5 | -59.1 | -79.2 | 0 | 0 | 0 | 109.9 | L238 C239 L257 Y258 T259 M294 M296 L303 P317 L321 | L238-F249 CarbonylContact C-O 3.53Å; L238-F249 WeakPolarHBondContact CA-O 3.17Å; C239-F249 HydrophobicContact CB-CB 4.37Å; C239-F249 PolarHBondContact N-O 3.19Å; C239-F249 WeakPolarHBondContact O-CD2 3.35Å; C239-F249 PolarHBondContact O-N 3.46Å; F249-L257 HydrophobicContact CB-CD1 4.14Å; F249-Y258 CarbonylContact C-O 3.37Å; F249-T259 HydrophobicContact CD1-CG2 4.47Å; F249-T259 HydrophobicContact CE1-CG2 4.16Å; F249-M294 HydrophobicContact CB-CE 4.19Å; F249-M294 HydrophobicContact CB-SD 4.27Å; F249-M294 WeakPolarHBondContact O-CE 3.32Å; F249-M296 HydrophobicContact CD2-CE 3.91Å; F249-M296 HydrophobicContact CE2-CE 3.38Å; F249-M296 HydrophobicContact CE2-SD 4.46Å; F249-M296 HydrophobicContact CZ-CE 4.15Å; F249-L303 HydrophobicContact CB-CD2 4.32Å; F249-L303 HydrophobicContact CD1-CD2 3.77Å; F249-L303 HydrophobicContact CD2-CD1 4.43Å; F249-L303 HydrophobicContact CD2-CD2 4.14Å; F249-L303 HydrophobicContact CE1-CD2 4.11Å; F249-L303 HydrophobicContact CE2-CD2 4.47Å; F249-L303 HydrophobicContact CG-CD2 3.77Å; F249-L303 HydrophobicContact CZ-CD2 4.44Å; F249-P317 HydrophobicContact CZ-CB 4.19Å; F249-L321 HydrophobicContact CD1-CD2 4.49Å; F249-L321 HydrophobicContact CE1-CD2 3.83Å |
| 250 | C | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119 | -177.2 | -53.1 | 0 | 0 | 0 | 0 | 110 | L228 L235 S237 L238 Y258 | L228-C250 HydrophobicContact CD1-CB 4.06Å; L235-C250 HydrophobicContact CD1-CB 4.1Å; L235-C250 HydrophobicContact CD2-CB 3.83Å; S237-C250 WeakPolarHBondContact O-CA 3.46Å; L238-C250 HydrophobicContact CD2-CB 3.99Å; L238-C250 VanDerWaalsContact CD2-SG 3.57Å; C250-Y258 PolarHBondContact N-O 2.89Å; C250-Y258 WeakPolarHBondContact O-CD2 3.39Å; C250-Y258 PolarHBondContact O-N 2.92Å |
| 251 | G | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L235 L236 S237 | L235-G251 WeakPolarHBondContact CA-O 3.41Å; L236-G251 PolarHBondContact N-O 3.49Å; S237-G251 PolarHBondContact O-N 3.13Å |
| 252 | G | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -117.4 | -162.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L256 I291 | G252-L256 PolarHBondContact N-O 3.03Å; G252-I291 PolarHBondContact O-N 3.27Å | ||
| 253 | N | 93.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -76.7 | 167.7 | 172.4 | -69.3 | -62.3 | 0 | 0 | 0 | 111.9 | S232 G233 L236 G255 L256 | S232-N253 PolarHBondContact O-ND2 3.4Å; G233-N253 VanDerWaalsContact C-ND2 3.28Å; G233-N253 VanDerWaalsContact CA-ND2 3.26Å; G233-N253 WeakPolarHBondContact CA-ND2 3.38Å; G233-N253 PolarHBondContact O-ND2 2.99Å; G233-N253 VanDerWaalsContact O-ND2 3.13Å; L236-N253 WeakPolarHBondContact CD1-OD1 2.95Å; N253-G255 PolarHBondContact O-N 3.4Å; N253-G255 VanDerWaalsContact O-N 3.11Å; N253-L256 WeakPolarHBondContact O-CB 3.5Å; N253-L256 WeakPolarHBondContact O-CG 3.47Å; N253-L256 PolarHBondContact O-N 2.79Å |
| 254 | E | 91.6 | Very high | 89.7 | Confident | 81 Ų | 81 | 26 Ų | 26 | 38% | 0.379 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | 61.6 | 16.5 | 174.1 | -38.8 | -163.6 | 158.2 | 0 | 0 | 116.5 | L256 R277 A286 | E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 HydrophobicContact CB-CG 4.38Å; E254-R277 IonicContact OE2-NH1 2.69Å; E254-A286 WeakPolarHBondContact CA-O 3Å; E254-A286 HydrophobicContact CB-CB 4.4Å; E254-A286 HydrophobicContact CG-CB 3.79Å; E254-A286 PolarHBondContact N-O 2.84Å |
| 255 | G | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | 77.4 | 17.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N253 L257 R277 C278 K289 | N253-G255 PolarHBondContact O-N 3.4Å; N253-G255 VanDerWaalsContact O-N 3.11Å; G255-L257 PolarHBondContact O-N 2.94Å; G255-R277 CarbonylContact O-C 3.57Å; G255-R277 WeakPolarHBondContact O-CA 3.33Å; G255-C278 WeakPolarHBondContact O-CB 3.42Å; G255-C278 PolarHBondContact O-N 3.42Å; G255-K289 VanDerWaalsContact CA-O 3.27Å; G255-K289 WeakPolarHBondContact CA-O 3.4Å; G255-K289 PolarHBondContact N-O 2.69Å |
| 256 | L | 94.2 | Very high | 88.7 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.4 | 178 | -59.6 | 179.4 | 0 | 0 | 0 | 111 | G252 N253 E254 Y258 I275 R277 I291 | G252-L256 PolarHBondContact N-O 3.03Å; N253-L256 WeakPolarHBondContact O-CB 3.5Å; N253-L256 WeakPolarHBondContact O-CG 3.47Å; N253-L256 PolarHBondContact O-N 2.79Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 HydrophobicContact CB-CG 4.38Å; L256-Y258 HydrophobicContact CB-CE2 3.86Å; L256-Y258 WeakPolarHBondContact CD1-OH 3.34Å; L256-I275 HydrophobicContact CB-CG2 4.42Å; L256-I275 HydrophobicContact CD2-CG2 3.83Å; L256-R277 HydrophobicContact CD2-CB 4.34Å; L256-R277 HydrophobicContact CD2-CG 4.25Å; L256-I291 WeakPolarHBondContact O-CD1 3.35Å |
| 257 | L | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.5 | 172.6 | 178 | 62.9 | 0 | 0 | 0 | 108.7 | F249 G255 I275 H276 I291 M294 L303 V305 L315 L321 | F249-L257 HydrophobicContact CB-CD1 4.14Å; G255-L257 PolarHBondContact O-N 2.94Å; L257-I275 WeakPolarHBondContact O-CA 3.41Å; L257-H276 HydrophobicContact CB-CB 4.25Å; L257-H276 PolarHBondContact N-O 3.31Å; L257-H276 PolarHBondContact O-N 3Å; L257-I291 HydrophobicContact CB-CD1 3.86Å; L257-M294 HydrophobicContact CD1-SD 3.51Å; L257-M294 VanDerWaalsContact CD1-SD 3.51Å; L257-L303 HydrophobicContact CD2-CD2 4.1Å; L257-V305 HydrophobicContact CD2-CG2 4.16Å; L257-L315 HydrophobicContact CD2-CD1 3.76Å; L257-L321 HydrophobicContact CD2-CD1 3.88Å |
| 258 | Y | 93.3 | Very high | 87.1 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.3 | 178.3 | -54.8 | -92.3 | 0 | 0 | 0 | 109.6 | L228 V231 L235 F249 C250 L256 I275 | L228-Y258 HydrophobicContact CD1-CG 4.43Å; L228-Y258 HydrophobicContact CD2-CD1 4.29Å; V231-Y258 HydrophobicContact CG1-CE2 3.7Å; V231-Y258 HydrophobicContact CG2-CD1 4.48Å; V231-Y258 HydrophobicContact CG2-CD2 4.49Å; V231-Y258 HydrophobicContact CG2-CE1 4.04Å; V231-Y258 HydrophobicContact CG2-CE2 4.06Å; L235-Y258 HydrophobicContact CD2-CD2 4.11Å; L235-Y258 HydrophobicContact CD2-CE2 4.45Å; F249-Y258 CarbonylContact C-O 3.37Å; C250-Y258 PolarHBondContact N-O 2.89Å; C250-Y258 WeakPolarHBondContact O-CD2 3.39Å; C250-Y258 PolarHBondContact O-N 2.92Å; L256-Y258 HydrophobicContact CB-CE2 3.86Å; L256-Y258 WeakPolarHBondContact CD1-OH 3.34Å; Y258-I275 HydrophobicContact CD1-CD1 4.37Å; Y258-I275 HydrophobicContact CD1-CG1 3.82Å; Y258-I275 HydrophobicContact CE1-CD1 3.88Å; Y258-I275 HydrophobicContact CE1-CG1 3.78Å; Y258-I275 HydrophobicContact CE1-CG2 4.4Å |
| 259 | T | 91.7 | Very high | 86.4 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143.2 | 169 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | L248 F249 E274 | L248-T259 CarbonylContact O-C 3.52Å; F249-T259 HydrophobicContact CD1-CG2 4.47Å; F249-T259 HydrophobicContact CE1-CG2 4.16Å; T259-E274 PolarHBondContact N-O 3.41Å |
| 260 | A | 89.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | L227 L248 A271 | L227-A260 HydrophobicContact CD1-CB 4.46Å; L248-A260 HydrophobicContact CB-CB 4.48Å; L248-A260 PolarHBondContact N-O 2.63Å; L248-A260 PolarHBondContact O-N 2.84Å; A260-A271 HydrophobicContact CB-CB 4.4Å |
| 261 | N | 88.3 | Confident | 84 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.6 | 176.5 | -170.1 | -30.5 | 0 | 0 | 0 | 109.5 | Q263 S270 | N261-Q263 WeakPolarHBondContact OD1-CG 3.44Å; N261-S270 CarbonylContact C-O 3.55Å; N261-S270 PolarHBondContact N-O 3.47Å; N261-S270 PolarHBondContact O-N 2.95Å; N261-S270 PolarHBondContact O-OG 2.86Å |
| 262 | I | 87.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 100.7 | -175.1 | -61.6 | 170.8 | 0 | 0 | 0 | 108.4 | M201 I204 V206 L213 I215 L227 G246 L248 Y269 | M201-I262 HydrophobicContact CE-CB 4.17Å; M201-I262 HydrophobicContact SD-CD1 4.42Å; I204-I262 HydrophobicContact CD1-CG2 3.25Å; V206-I262 HydrophobicContact CG1-CD1 4.36Å; V206-I262 HydrophobicContact CG2-CD1 3.99Å; L213-I262 HydrophobicContact CD2-CD1 3.98Å; I215-I262 HydrophobicContact CD1-CD1 4Å; I215-I262 HydrophobicContact CD1-CG1 4.21Å; I215-I262 HydrophobicContact CD1-CG2 4.42Å; L227-I262 HydrophobicContact CD1-CG1 4.17Å; G246-I262 WeakPolarHBondContact CA-O 3.44Å; G246-I262 PolarHBondContact O-N 2.97Å; L248-I262 HydrophobicContact CB-CD1 4.27Å; L248-I262 HydrophobicContact CD2-CD1 3.6Å; I262-Y269 HydrophobicContact CG2-CD1 3.91Å; I262-Y269 HydrophobicContact CG2-CE1 4.17Å |
| 263 | Q | 82.3 | Confident | 80.7 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 95.3 | 176.4 | -66.3 | -177 | -10.9 | 0 | 0 | 109.4 | N261 Q265 T266 G267 C268 | N261-Q263 WeakPolarHBondContact OD1-CG 3.44Å; Q263-Q265 VanDerWaalsContact C-N 3.34Å; Q263-Q265 PolarHBondContact O-N 3.24Å; Q263-T266 VanDerWaalsContact CB-OG1 3.25Å; Q263-T266 WeakPolarHBondContact CB-OG1 3.47Å; Q263-T266 PolarHBondContact O-N 2.83Å; Q263-T266 PolarHBondContact O-OG1 3.45Å; Q263-T266 PolarHBondContact OE1-OG1 2.82Å; Q263-G267 PolarHBondContact O-N 2.69Å; Q263-C268 HydrophobicContact CB-CB 4.42Å; Q263-C268 PolarHBondContact N-O 3.39Å; Q263-C268 PolarHBondContact O-N 3.45Å |
| 264 | S | 72.5 | Confident | 79.7 | Confident | 20 Ų | 20 | 54 Ų | 54 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -59.9 | -43.6 | -175 | -164.6 | 0 | 0 | 0 | 0 | 112.8 | D203 I204 T266 G267 | D203-S264 VanDerWaalsContact OD1-CB 3.25Å; D203-S264 WeakPolarHBondContact OD1-CB 3.28Å; D203-S264 PolarHBondContact OD1-OG 2.84Å; I204-S264 WeakPolarHBondContact CG2-OG 3.18Å; S264-T266 PolarHBondContact O-N 3.49Å; S264-T266 VanDerWaalsContact O-N 3.17Å; S264-G267 PolarHBondContact O-N 3.29Å |
| 265 | Q | 70.7 | Confident | 79.4 | Confident | 187 Ų | 187 | 54.5 Ų | 54.5 | 87% | 0.874 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -61.5 | -29.7 | -176.3 | -64 | -177 | 3.6 | 0 | 0 | 114.1 | Q263 | Q263-Q265 VanDerWaalsContact C-N 3.34Å; Q263-Q265 PolarHBondContact O-N 3.24Å |
| 266 | T | 70.3 | Confident | 79.2 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -97.4 | -5.9 | 180 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | Q263 S264 C268 | Q263-T266 VanDerWaalsContact CB-OG1 3.25Å; Q263-T266 WeakPolarHBondContact CB-OG1 3.47Å; Q263-T266 PolarHBondContact O-N 2.83Å; Q263-T266 PolarHBondContact O-OG1 3.45Å; Q263-T266 PolarHBondContact OE1-OG1 2.82Å; S264-T266 PolarHBondContact O-N 3.49Å; S264-T266 VanDerWaalsContact O-N 3.17Å; T266-C268 PolarHBondContact O-N 2.82Å; T266-C268 VanDerWaalsContact OG1-CB 3.27Å; T266-C268 WeakPolarHBondContact OG1-CB 3.48Å; T266-C268 PolarHBondContact OG1-N 2.88Å |
| 267 | G | 71.3 | Confident | 79.1 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 18.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q263 S264 Y269 | Q263-G267 PolarHBondContact O-N 2.69Å; S264-G267 PolarHBondContact O-N 3.29Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.49Å; G267-Y269 WeakPolarHBondContact O-CE2 3.33Å |
| 268 | C | 70.5 | Confident | 79 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115 | -179 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | Q263 T266 | Q263-C268 HydrophobicContact CB-CB 4.42Å; Q263-C268 PolarHBondContact N-O 3.39Å; Q263-C268 PolarHBondContact O-N 3.45Å; T266-C268 PolarHBondContact O-N 2.82Å; T266-C268 VanDerWaalsContact OG1-CB 3.27Å; T266-C268 WeakPolarHBondContact OG1-CB 3.48Å; T266-C268 PolarHBondContact OG1-N 2.88Å |
| 269 | Y | 79.3 | Confident | 79 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 105.6 | 177.9 | -46.9 | -64.1 | 0 | 0 | 0 | 108.1 | I215 L224 I262 G267 | I215-Y269 HydrophobicContact CD1-CD1 3.58Å; I215-Y269 HydrophobicContact CD1-CE1 4.27Å; I215-Y269 HydrophobicContact CD1-CG 3.94Å; I215-Y269 HydrophobicContact CG2-CE1 4.23Å; L224-Y269 HydrophobicContact CB-CE2 3.94Å; L224-Y269 WeakPolarHBondContact CD1-OH 3.05Å; I262-Y269 HydrophobicContact CG2-CD1 3.91Å; I262-Y269 HydrophobicContact CG2-CE1 4.17Å; G267-Y269 VanDerWaalsContact O-CD2 3.3Å; G267-Y269 WeakPolarHBondContact O-CD2 3.49Å; G267-Y269 WeakPolarHBondContact O-CE2 3.33Å |
| 270 | S | 74.4 | Confident | 78.8 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.3 | 176.6 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | N261 | N261-S270 CarbonylContact C-O 3.55Å; N261-S270 PolarHBondContact N-O 3.47Å; N261-S270 PolarHBondContact O-N 2.95Å; N261-S270 PolarHBondContact O-OG 2.86Å |
| 271 | A | 66.7 | Low | 78.7 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 26% | 0.256 | 36% | 0.363 | S | S | . | . | trans | -108.8 | 93.2 | 165 | 0 | 0 | 0 | 0 | 0 | 106.4 | L227 L228 A260 K273 | L227-A271 HydrophobicContact CB-CB 4.08Å; L227-A271 HydrophobicContact CD1-CB 4.27Å; L227-A271 HydrophobicContact CD2-CB 4.14Å; L227-A271 HydrophobicContact CG-CB 4.41Å; L228-A271 HydrophobicContact CD2-CB 3.93Å; L228-A271 HydrophobicContact CG-CB 4.18Å; A260-A271 HydrophobicContact CB-CB 4.4Å; A271-K273 PolarHBondContact O-N 3.2Å | ||
| 272 | D | 57.1 | Low | 78.7 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | trans | -64 | 108 | 158.6 | -72.7 | -26.2 | 0 | 0 | 0 | 105.7 | E274 | D272-E274 PolarHBondContact O-N 2.93Š| ||
| 273 | K | 62.4 | Low | 78.8 | Confident | 118 Ų | 118 | 75.5 Ų | 75.5 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | trans | -71.2 | 60.6 | 177.8 | -93.2 | -174.7 | 172.3 | -177.3 | 0 | 109.9 | L228 A271 I275 | L228-K273 HydrophobicContact CD2-CG 4.07Å; A271-K273 PolarHBondContact O-N 3.2Å; K273-I275 PolarHBondContact O-N 2.78Å | ||
| 274 | E | 72 | Confident | 79 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | trans | -74.2 | 111.7 | 160.4 | -65.6 | -169.1 | 163.2 | 0 | 0 | 106.6 | T259 D272 | T259-E274 PolarHBondContact N-O 3.41Å; D272-E274 PolarHBondContact O-N 2.93Å | ||
| 275 | I | 84.7 | Confident | 79.9 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.2 | 179.9 | -57.4 | 175.5 | 0 | 0 | 0 | 106.6 | L256 L257 Y258 K273 | L256-I275 HydrophobicContact CB-CG2 4.42Å; L256-I275 HydrophobicContact CD2-CG2 3.83Å; L257-I275 WeakPolarHBondContact O-CA 3.41Å; Y258-I275 HydrophobicContact CD1-CD1 4.37Å; Y258-I275 HydrophobicContact CD1-CG1 3.82Å; Y258-I275 HydrophobicContact CE1-CD1 3.88Å; Y258-I275 HydrophobicContact CE1-CG1 3.78Å; Y258-I275 HydrophobicContact CE1-CG2 4.4Å; K273-I275 PolarHBondContact O-N 2.78Å |
| 276 | H | 89.5 | Confident | 80.8 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.9 | 171.3 | -175.4 | 96.7 | 0 | 0 | 0 | 109.2 | L257 C278 L321 | L257-H276 HydrophobicContact CB-CB 4.25Å; L257-H276 PolarHBondContact N-O 3.31Å; L257-H276 PolarHBondContact O-N 3Å; H276-C278 VanDerWaalsContact CD2-SG 3.59Å; H276-L321 HydrophobicContact CB-CD1 3.7Å; H276-L321 PolarHBondContact CE1-O 3.02Å; H276-L321 VanDerWaalsContact CE1-O 3.3Å |
| 277 | R | 92.9 | Very high | 81.7 | Confident | 123 Ų | 123 | 68.2 Ų | 68.2 | 46% | 0.464 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 93.9 | 179.2 | -171.1 | 176 | -176.3 | 92.9 | -3.4 | 109.8 | E254 G255 L256 | E254-R277 IonicContact OE2-NH1 2.69Å; G255-R277 CarbonylContact O-C 3.57Å; G255-R277 WeakPolarHBondContact O-CA 3.33Å; L256-R277 HydrophobicContact CD2-CB 4.34Å; L256-R277 HydrophobicContact CD2-CG 4.25Å |
| 278 | C | 92.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 154.1 | 171.2 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | G255 H276 S280 I291 V305 E313 | G255-C278 WeakPolarHBondContact O-CB 3.42Å; G255-C278 PolarHBondContact O-N 3.42Å; H276-C278 VanDerWaalsContact CD2-SG 3.59Å; C278-S280 PolarHBondContact O-N 3.15Å; C278-S280 VanDerWaalsContact O-N 3.13Å; C278-I291 HydrophobicContact CB-CD1 4.33Å; C278-V305 HydrophobicContact CB-CG1 4.47Å; C278-E313 WeakPolarHBondContact CA-OE2 3.23Å; C278-E313 WeakPolarHBondContact CB-OE2 3.45Å |
| 279 | F | 91.8 | Very high | 83.8 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27.8 | 173.3 | -39.6 | -67.6 | 0 | 0 | 0 | 113.6 | D281 S282 K289 I291 V305 A307 L311 E313 | F279-D281 VanDerWaalsContact C-N 3.25Å; F279-D281 PolarHBondContact O-N 2.91Å; F279-S282 PolarHBondContact O-N 3.3Å; F279-S282 VanDerWaalsContact O-N 3.12Å; F279-S282 PolarHBondContact O-OG 3.42Å; F279-K289 HydrophobicContact CB-CD 4.27Å; F279-K289 HydrophobicContact CB-CG 4.43Å; F279-K289 PolarHBondContact O-NZ 2.84Å; F279-I291 HydrophobicContact CE2-CG1 4.27Å; F279-V305 HydrophobicContact CE2-CG1 4.1Å; F279-V305 HydrophobicContact CZ-CB 4.49Å; F279-V305 HydrophobicContact CZ-CG1 4.02Å; F279-A307 HydrophobicContact CD2-CB 4.03Å; F279-A307 HydrophobicContact CE1-CB 4.48Å; F279-A307 HydrophobicContact CE2-CB 3.64Å; F279-A307 HydrophobicContact CZ-CB 3.88Å; F279-L311 HydrophobicContact CB-CD1 4.02Å; F279-L311 HydrophobicContact CD1-CB 3.59Å; F279-L311 HydrophobicContact CD1-CD1 3.91Å; F279-L311 HydrophobicContact CD1-CG 4.42Å; F279-L311 HydrophobicContact CE1-CB 3.59Å; F279-L311 HydrophobicContact CG-CB 4.3Å; F279-L311 HydrophobicContact CG-CD1 4.1Å; F279-L311 HydrophobicContact CZ-CB 4.33Å; F279-E313 WeakPolarHBondContact CA-OE1 3.49Å; F279-E313 HydrophobicContact CD1-CB 4.46Å; F279-E313 HydrophobicContact CD1-CG 3.74Å; F279-E313 WeakPolarHBondContact CD1-OE1 3.45Å; F279-E313 HydrophobicContact CE1-CB 3.8Å; F279-E313 HydrophobicContact CE1-CG 3.54Å; F279-E313 HydrophobicContact CZ-CB 4.28Å; F279-E313 HydrophobicContact CZ-CG 4.42Å; F279-E313 VanDerWaalsContact N-CD 3.27Å; F279-E313 PolarHBondContact N-OE1 2.95Å; F279-E313 PolarHBondContact N-OE2 3.19Å |
| 280 | S | 88.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -42.8 | -178 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | C278 S282 K289 | C278-S280 PolarHBondContact O-N 3.15Å; C278-S280 VanDerWaalsContact O-N 3.13Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 3.15Å; S280-K289 PolarHBondContact O-NZ 3.1Å |
| 281 | D | 87.5 | Confident | 85.6 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.3 | -176.7 | -60.9 | -23.6 | 0 | 0 | 0 | 114.3 | F279 R326 | F279-D281 VanDerWaalsContact C-N 3.25Å; F279-D281 PolarHBondContact O-N 2.91Å; D281-R326 IonicContact OD2-CZ 2.83Å; D281-R326 IonicContact OD2-NH1 3.69Å; D281-R326 PolarHBondContact OD2-NH1 3.13Å; D281-R326 IonicContact OD2-NH2 2.8Å |
| 282 | S | 88.1 | Confident | 87 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | trans | -84.8 | 146.6 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | F279 S280 F284 K289 | F279-S282 PolarHBondContact O-N 3.3Å; F279-S282 VanDerWaalsContact O-N 3.12Å; F279-S282 PolarHBondContact O-OG 3.42Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 3.15Å; S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 3.11Å; S282-K289 VanDerWaalsContact O-CE 3.25Å; S282-K289 WeakPolarHBondContact O-CE 3.37Å; S282-K289 PolarHBondContact O-NZ 3.44Å; S282-K289 WeakPolarHBondContact OG-CE 3.26Å; S282-K289 PolarHBondContact OG-NZ 2.95Å | ||
| 283 | N | 89.2 | Confident | 88.8 | Confident | 171 Ų | 171 | 56.9 Ų | 56.9 | 91% | 0.914 | 30% | 0.302 | S | S | * | . | trans | -85.3 | 8.1 | 177.9 | -69.2 | -28.4 | 0 | 0 | 0 | 113.9 | ||||
| 284 | F | 87.3 | Confident | 90.5 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | trans | -71.3 | 154.4 | -178.7 | -68.6 | -61.1 | 0 | 0 | 0 | 112.6 | S282 Q288 K289 F309 L311 | S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 3.11Å; F284-Q288 HydrophobicContact CB-CB 3.82Å; F284-Q288 HydrophobicContact CG-CB 4.37Å; F284-K289 HydrophobicContact CB-CG 4.06Å; F284-K289 WeakPolarHBondContact O-CE 3.21Å; F284-F309 AromaticContact CD1-CD1 3.75Å; F284-F309 HydrophobicContact CD1-CD1 3.75Å; F284-F309 HydrophobicContact CD1-CE1 4.12Å; F284-F309 AromaticContact CE1-CD1 3.31Å; F284-F309 HydrophobicContact CE1-CD1 3.31Å; F284-F309 AromaticContact CE1-CE1 3.36Å; F284-F309 HydrophobicContact CE1-CE1 3.36Å; F284-F309 HydrophobicContact CE1-CG 4.47Å; F284-F309 HydrophobicContact CE2-CD1 4.2Å; F284-F309 HydrophobicContact CG-CD1 4.38Å; F284-F309 AromaticContact CZ-CD1 3.56Å; F284-F309 HydrophobicContact CZ-CD1 3.56Å; F284-F309 AromaticContact CZ-CE1 3.76Å; F284-F309 HydrophobicContact CZ-CE1 3.76Å; F284-L311 HydrophobicContact CD2-CD1 3.53Å; F284-L311 HydrophobicContact CD2-CG 4.1Å; F284-L311 HydrophobicContact CE2-CD1 3.77Å; F284-L311 HydrophobicContact CE2-CD2 4.01Å; F284-L311 HydrophobicContact CE2-CG 3.91Å | ||
| 285 | S | 90.7 | Very high | 91.6 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -65.3 | 159.9 | 175 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | S287 Q288 K289 | S285-S287 PolarHBondContact O-N 3.08Å; S285-S287 PolarHBondContact OG-OG 2.86Å; S285-Q288 WeakPolarHBondContact O-CB 3.48Å; S285-Q288 PolarHBondContact O-N 3.33Å; S285-Q288 WeakPolarHBondContact OG-CG 3.32Å; S285-Q288 PolarHBondContact OG-OE1 2.77Å; S285-K289 PolarHBondContact O-N 2.86Å | ||
| 286 | A | 89.2 | Confident | 92.1 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E254 A290 | E254-A286 WeakPolarHBondContact CA-O 3Å; E254-A286 HydrophobicContact CB-CB 4.4Å; E254-A286 HydrophobicContact CG-CB 3.79Å; E254-A286 PolarHBondContact N-O 2.84Å; A286-A290 PolarHBondContact O-N 2.82Å |
| 287 | S | 89.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 43.1 Ų | 43.1 | 47% | 0.469 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29.9 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | S285 A290 | S285-S287 PolarHBondContact O-N 3.08Å; S285-S287 PolarHBondContact OG-OG 2.86Å; S287-A290 VanDerWaalsContact O-CB 3.31Å; S287-A290 WeakPolarHBondContact O-CB 3.49Å |
| 288 | Q | 91.9 | Very high | 91.9 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -33.3 | 175.5 | -76.5 | 169.1 | -45.8 | 0 | 0 | 112 | F284 S285 A290 F309 | F284-Q288 HydrophobicContact CB-CB 3.82Å; F284-Q288 HydrophobicContact CG-CB 4.37Å; S285-Q288 WeakPolarHBondContact O-CB 3.48Å; S285-Q288 PolarHBondContact O-N 3.33Å; S285-Q288 WeakPolarHBondContact OG-CG 3.32Å; S285-Q288 PolarHBondContact OG-OE1 2.77Å; Q288-A290 VanDerWaalsContact C-N 3.26Å; Q288-A290 PolarHBondContact O-N 2.73Å; Q288-F309 HydrophobicContact CB-CB 3.79Å; Q288-F309 HydrophobicContact CB-CG 4.31Å; Q288-F309 HydrophobicContact CG-CB 4.07Å; Q288-F309 HydrophobicContact CG-CD2 4.24Å; Q288-F309 HydrophobicContact CG-CG 4.12Å; Q288-F309 PolarHBondContact O-N 2.8Å; Q288-F309 VanDerWaalsContact O-N 3.13Å |
| 289 | K | 93.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -78.5 | -3.2 | 174.3 | -61.2 | -170.9 | -167.4 | -158.6 | 0 | 114.1 | G255 F279 S280 S282 F284 S285 I291 | G255-K289 VanDerWaalsContact CA-O 3.27Å; G255-K289 WeakPolarHBondContact CA-O 3.4Å; G255-K289 PolarHBondContact N-O 2.69Å; F279-K289 HydrophobicContact CB-CD 4.27Å; F279-K289 HydrophobicContact CB-CG 4.43Å; F279-K289 PolarHBondContact O-NZ 2.84Å; S280-K289 PolarHBondContact O-NZ 3.1Å; S282-K289 VanDerWaalsContact O-CE 3.25Å; S282-K289 WeakPolarHBondContact O-CE 3.37Å; S282-K289 PolarHBondContact O-NZ 3.44Å; S282-K289 WeakPolarHBondContact OG-CE 3.26Å; S282-K289 PolarHBondContact OG-NZ 2.95Å; F284-K289 HydrophobicContact CB-CG 4.06Å; F284-K289 WeakPolarHBondContact O-CE 3.21Å; S285-K289 PolarHBondContact O-N 2.86Å; K289-I291 PolarHBondContact O-N 3.35Å |
| 290 | A | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -56.2 | 125.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | L236 A286 S287 Q288 T292 A307 R308 | L236-A290 HydrophobicContact CD1-CB 3.74Å; A286-A290 PolarHBondContact O-N 2.82Å; S287-A290 VanDerWaalsContact O-CB 3.31Å; S287-A290 WeakPolarHBondContact O-CB 3.49Å; Q288-A290 VanDerWaalsContact C-N 3.26Å; Q288-A290 PolarHBondContact O-N 2.73Å; A290-T292 PolarHBondContact O-N 2.74Å; A290-A307 CarbonylContact O-C 3.59Å; A290-A307 WeakPolarHBondContact O-CA 3.39Å; A290-R308 HydrophobicContact CB-CB 4.48Å; A290-R308 PolarHBondContact O-N 3.03Å | ||
| 291 | I | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 106.7 | -178.2 | -57.7 | 177.7 | 0 | 0 | 0 | 107.6 | L236 S237 G252 L256 L257 C278 F279 K289 M294 V305 | L236-I291 WeakPolarHBondContact CB-O 3.12Å; S237-I291 PolarHBondContact OG-O 3.23Å; G252-I291 PolarHBondContact O-N 3.27Å; L256-I291 WeakPolarHBondContact O-CD1 3.35Å; L257-I291 HydrophobicContact CB-CD1 3.86Å; C278-I291 HydrophobicContact CB-CD1 4.33Å; F279-I291 HydrophobicContact CE2-CG1 4.27Å; K289-I291 PolarHBondContact O-N 3.35Å; I291-M294 HydrophobicContact CG2-CG 3.88Å; I291-M294 HydrophobicContact CG2-SD 4.09Å; I291-V305 HydrophobicContact CB-CG1 4.38Å; I291-V305 HydrophobicContact CD1-CG1 3.75Å; I291-V305 HydrophobicContact CG1-CG1 3.94Å; I291-V305 HydrophobicContact CG2-CG1 3.57Å |
| 292 | T | 95.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -14.5 | -174.5 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | L236 A290 G306 R308 | L236-T292 HydrophobicContact CD1-CG2 4.48Å; A290-T292 PolarHBondContact O-N 2.74Å; T292-G306 PolarHBondContact N-O 3.09Å; T292-R308 HydrophobicContact CG2-CB 3.93Å; T292-R308 HydrophobicContact CG2-CG 4.49Å; T292-R308 PolarHBondContact OG1-N 3.47Å |
| 293 | M | 96.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.5 | -175.7 | -60.9 | -166.9 | 160.6 | 0 | 0 | 110.6 | G306 L343 T344 G345 L346 | M293-G306 PolarHBondContact N-O 3.1Å; M293-G306 PolarHBondContact O-N 2.55Å; M293-L343 HydrophobicContact CB-CD2 4.07Å; M293-L343 HydrophobicContact CG-CD2 4.13Å; M293-L343 HydrophobicContact SD-CD2 3.92Å; M293-L343 HydrophobicContact SD-CG 3.85Å; M293-T344 WeakPolarHBondContact CE-O 3.48Å; M293-G345 WeakPolarHBondContact SD-CA 3.3Å; M293-G345 PolarHBondContact SD-N 2.88Å; M293-G345 VanDerWaalsContact SD-N 3.39Å; M293-L346 HydrophobicContact CB-CB 3.83Å; M293-L346 HydrophobicContact CB-CD1 4.37Å; M293-L346 HydrophobicContact CG-CB 4.42Å; M293-L346 HydrophobicContact SD-CB 3.81Å; M293-L346 PolarHBondContact SD-N 2.96Å |
| 294 | M | 97.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.1 | 174 | -66.5 | -177.8 | -55.9 | 0 | 0 | 109.5 | S237 C239 F249 L257 I291 L303 V304 | S237-M294 WeakPolarHBondContact O-CE 3.19Å; S237-M294 WeakPolarHBondContact OG-CE 3.42Å; C239-M294 HydrophobicContact CB-CB 3.73Å; C239-M294 HydrophobicContact CB-CE 3.89Å; F249-M294 HydrophobicContact CB-CE 4.19Å; F249-M294 HydrophobicContact CB-SD 4.27Å; F249-M294 WeakPolarHBondContact O-CE 3.32Å; L257-M294 HydrophobicContact CD1-SD 3.51Å; L257-M294 VanDerWaalsContact CD1-SD 3.51Å; I291-M294 HydrophobicContact CG2-CG 3.88Å; I291-M294 HydrophobicContact CG2-SD 4.09Å; M294-L303 HydrophobicContact CB-CD1 4.5Å; M294-V304 WeakPolarHBondContact CA-O 3.26Å |
| 295 | A | 95.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V304 L346 L348 | A295-V304 PolarHBondContact N-O 2.92Å; A295-V304 VanDerWaalsContact N-O 3.07Å; A295-V304 PolarHBondContact O-N 3.46Å; A295-L346 HydrophobicContact CB-CD2 3.45Å; A295-L346 VanDerWaalsContact CB-CD2 3.45Å; A295-L348 HydrophobicContact CB-CD1 3.98Å; A295-L348 HydrophobicContact CB-CG 4.04Å |
| 296 | M | 94.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.3 | 173.6 | -179.6 | 160.5 | -76 | 0 | 0 | 109 | C239 P242 F249 C300 V302 L303 P317 L348 | C239-M296 PolarHBondContact SG-N 3.47Å; P242-M296 VanDerWaalsContact CD-SD 3.57Å; P242-M296 HydrophobicContact CG-CG 4.47Å; F249-M296 HydrophobicContact CD2-CE 3.91Å; F249-M296 HydrophobicContact CE2-CE 3.38Å; F249-M296 HydrophobicContact CE2-SD 4.46Å; F249-M296 HydrophobicContact CZ-CE 4.15Å; M296-C300 HydrophobicContact SD-CB 4.23Å; M296-V302 WeakPolarHBondContact CA-O 3.43Å; M296-L303 HydrophobicContact CE-CB 3.9Å; M296-L303 HydrophobicContact CE-CD1 4.13Å; M296-L303 HydrophobicContact CE-CG 4.45Å; M296-P317 HydrophobicContact CE-CB 3.55Å; M296-P317 HydrophobicContact CE-CG 3.95Å; M296-L348 VanDerWaalsContact C-CD1 3.43Å |
| 297 | D | 91 | Very high | 93.9 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | trans | -70.4 | 155.6 | 175.4 | 81.2 | -68.9 | 0 | 0 | 0 | 110.5 | N299 C300 E301 V302 L348 | D297-N299 PolarHBondContact O-N 2.83Å; D297-N299 VanDerWaalsContact O-N 3.1Å; D297-N299 WeakPolarHBondContact OD2-CA 3.39Å; D297-N299 WeakPolarHBondContact OD2-CB 3.35Å; D297-N299 PolarHBondContact OD2-N 2.88Å; D297-C300 PolarHBondContact O-N 2.92Å; D297-C300 PolarHBondContact OD1-N 2.85Å; D297-C300 PolarHBondContact OD2-N 3.46Å; D297-E301 PolarHBondContact OD1-N 2.82Å; D297-V302 PolarHBondContact N-O 2.79Å; D297-V302 VanDerWaalsContact N-O 3.1Å; D297-V302 PolarHBondContact OD1-N 2.88Å; D297-V302 VanDerWaalsContact OD1-O 3.13Å; D297-L348 HydrophobicContact CB-CD1 3.99Å; D297-L348 VanDerWaalsContact N-CD1 3.31Å | ||
| 298 | P | 86.5 | Confident | 94.1 | Very high | 91 Ų | 91 | 29.7 Ų | 29.7 | 59% | 0.591 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | -177.6 | -25.5 | 35.2 | 0 | 0 | 0 | 115.1 | ||
| 299 | N | 88 | Confident | 94.1 | Very high | 99 Ų | 99 | 28.6 Ų | 28.6 | 53% | 0.529 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.1 | -179.3 | -52.7 | -49.2 | 0 | 0 | 0 | 112.8 | D297 E301 | D297-N299 PolarHBondContact O-N 2.83Å; D297-N299 VanDerWaalsContact O-N 3.1Å; D297-N299 WeakPolarHBondContact OD2-CA 3.39Å; D297-N299 WeakPolarHBondContact OD2-CB 3.35Å; D297-N299 PolarHBondContact OD2-N 2.88Å; N299-E301 HydrophobicContact CB-CG 4.08Å; N299-E301 PolarHBondContact O-N 3.38Å |
| 300 | C | 89.8 | Confident | 94.1 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 19% | 0.189 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 57.2 | 32 | -177.1 | -49.5 | 0 | 0 | 0 | 0 | 113.8 | P242 M296 D297 P317 | P242-C300 WeakPolarHBondContact CD-SG 3.42Å; P242-C300 WeakPolarHBondContact CG-SG 3.42Å; M296-C300 HydrophobicContact SD-CB 4.23Å; D297-C300 PolarHBondContact O-N 2.92Å; D297-C300 PolarHBondContact OD1-N 2.85Å; D297-C300 PolarHBondContact OD2-N 3.46Å; C300-P317 WeakPolarHBondContact O-CG 3.06Å |
| 301 | E | 90.4 | Very high | 94.1 | Very high | 111 Ų | 111 | 29 Ų | 29 | 52% | 0.519 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -87.9 | -26.7 | 176.2 | -66 | -172.7 | 153.5 | 0 | 0 | 112.3 | D297 N299 P317 | D297-E301 PolarHBondContact OD1-N 2.82Å; N299-E301 HydrophobicContact CB-CG 4.08Å; N299-E301 PolarHBondContact O-N 3.38Å; E301-P317 VanDerWaalsContact O-CD 3.28Å; E301-P317 WeakPolarHBondContact O-CD 3.5Å |
| 302 | V | 93.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | trans | -142.4 | 126 | -170.2 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | M296 D297 V304 I314 L315 I324 | M296-V302 WeakPolarHBondContact CA-O 3.43Å; D297-V302 PolarHBondContact N-O 2.79Å; D297-V302 VanDerWaalsContact N-O 3.1Å; D297-V302 PolarHBondContact OD1-N 2.88Å; D297-V302 VanDerWaalsContact OD1-O 3.13Å; V302-V304 HydrophobicContact CG1-CG2 4.08Å; V302-I314 HydrophobicContact CG1-CG2 3.38Å; V302-L315 WeakPolarHBondContact CA-O 3.08Å; V302-I324 HydrophobicContact CG2-CD1 4.49Å | ||
| 303 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122 | 164.9 | 173.8 | 62.9 | 0 | 0 | 0 | 109.3 | F249 L257 M294 M296 V305 L315 P317 L321 | F249-L303 HydrophobicContact CB-CD2 4.32Å; F249-L303 HydrophobicContact CD1-CD2 3.77Å; F249-L303 HydrophobicContact CD2-CD1 4.43Å; F249-L303 HydrophobicContact CD2-CD2 4.14Å; F249-L303 HydrophobicContact CE1-CD2 4.11Å; F249-L303 HydrophobicContact CE2-CD2 4.47Å; F249-L303 HydrophobicContact CG-CD2 3.77Å; F249-L303 HydrophobicContact CZ-CD2 4.44Å; L257-L303 HydrophobicContact CD2-CD2 4.1Å; M294-L303 HydrophobicContact CB-CD1 4.5Å; M296-L303 HydrophobicContact CE-CB 3.9Å; M296-L303 HydrophobicContact CE-CD1 4.13Å; M296-L303 HydrophobicContact CE-CG 4.45Å; L303-V305 HydrophobicContact CD2-CG2 4.29Å; L303-V305 HydrophobicContact CG-CG2 4.11Å; L303-L315 HydrophobicContact CB-CB 4.36Å; L303-L315 HydrophobicContact CD2-CD1 4.44Å; L303-L315 PolarHBondContact N-O 3.2Å; L303-L315 PolarHBondContact O-N 3.05Å; L303-P317 HydrophobicContact CB-CB 4.45Å; L303-L321 HydrophobicContact CD2-CD2 4.22Å |
| 304 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.3 | 172.9 | -176 | 0 | 0 | 0 | 0 | 109.5 | L5 M294 A295 V302 I312 I314 L346 L348 | L5-V304 HydrophobicContact CD1-CG1 3.88Å; L5-V304 HydrophobicContact CD1-CG2 4.37Å; L5-V304 HydrophobicContact CD2-CG1 4.16Å; M294-V304 WeakPolarHBondContact CA-O 3.26Å; A295-V304 PolarHBondContact N-O 2.92Å; A295-V304 VanDerWaalsContact N-O 3.07Å; A295-V304 PolarHBondContact O-N 3.46Å; V302-V304 HydrophobicContact CG1-CG2 4.08Å; V304-I312 HydrophobicContact CG1-CG2 3.73Å; V304-I314 HydrophobicContact CB-CD1 4.23Å; V304-I314 HydrophobicContact CG1-CD1 3.87Å; V304-I314 HydrophobicContact CG2-CD1 3.68Å; V304-L346 HydrophobicContact CB-CD2 4.33Å; V304-L346 HydrophobicContact CG1-CD1 3.85Å; V304-L346 HydrophobicContact CG1-CD2 4.07Å; V304-L346 HydrophobicContact CG1-CG 4.47Å; V304-L348 HydrophobicContact CG2-CD1 4.11Å; V304-L348 HydrophobicContact CG2-CD2 3.98Å; V304-L348 HydrophobicContact CG2-CG 4.32Å |
| 305 | V | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.4 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L257 C278 F279 I291 L303 I312 E313 L315 | L257-V305 HydrophobicContact CD2-CG2 4.16Å; C278-V305 HydrophobicContact CB-CG1 4.47Å; F279-V305 HydrophobicContact CE2-CG1 4.1Å; F279-V305 HydrophobicContact CZ-CB 4.49Å; F279-V305 HydrophobicContact CZ-CG1 4.02Å; I291-V305 HydrophobicContact CB-CG1 4.38Å; I291-V305 HydrophobicContact CD1-CG1 3.75Å; I291-V305 HydrophobicContact CG1-CG1 3.94Å; I291-V305 HydrophobicContact CG2-CG1 3.57Å; L303-V305 HydrophobicContact CD2-CG2 4.29Å; L303-V305 HydrophobicContact CG-CG2 4.11Å; V305-I312 WeakPolarHBondContact O-CA 3.48Å; V305-E313 PolarHBondContact N-O 3.37Å; V305-E313 PolarHBondContact O-N 2.94Å; V305-L315 HydrophobicContact CG2-CD1 3.7Å; V305-L315 HydrophobicContact CG2-CG 4.23Å |
| 306 | G | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T292 M293 L311 | T292-G306 PolarHBondContact N-O 3.09Å; M293-G306 PolarHBondContact N-O 3.1Å; M293-G306 PolarHBondContact O-N 2.55Å; G306-L311 WeakPolarHBondContact CA-O 3.45Å |
| 307 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 155.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F279 A290 F309 G310 L311 | F279-A307 HydrophobicContact CD2-CB 4.03Å; F279-A307 HydrophobicContact CE1-CB 4.48Å; F279-A307 HydrophobicContact CE2-CB 3.64Å; F279-A307 HydrophobicContact CZ-CB 3.88Å; A290-A307 CarbonylContact O-C 3.59Å; A290-A307 WeakPolarHBondContact O-CA 3.39Å; A307-F309 PolarHBondContact O-N 2.99Å; A307-F309 VanDerWaalsContact O-N 3.16Å; A307-G310 PolarHBondContact O-N 2.77Å; A307-L311 HydrophobicContact CB-CB 3.99Å; A307-L311 PolarHBondContact N-O 2.93Å |
| 308 | R | 94.7 | Very high | 93.6 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 42% | 0.419 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -41.7 | 175.8 | -177.9 | 174.6 | -64.5 | -165.6 | 3.2 | 112.4 | A290 T292 G310 C342 L343 | A290-R308 HydrophobicContact CB-CB 4.48Å; A290-R308 PolarHBondContact O-N 3.03Å; T292-R308 HydrophobicContact CG2-CB 3.93Å; T292-R308 HydrophobicContact CG2-CG 4.49Å; T292-R308 PolarHBondContact OG1-N 3.47Å; R308-G310 VanDerWaalsContact C-N 3.25Å; R308-G310 PolarHBondContact O-N 2.86Å; R308-C342 HydrophobicContact CG-CB 4.21Å; R308-C342 CarbonylContact O-C 3.59Å; R308-C342 WeakPolarHBondContact O-CA 3.44Å; R308-C342 WeakPolarHBondContact O-CB 3.38Å; R308-L343 PolarHBondContact O-N 3.38Å |
| 309 | F | 92.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.088 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 30.9 | -178.9 | -153.6 | -108.9 | 0 | 0 | 0 | 113.3 | F284 Q288 A307 L311 F330 S338 | F284-F309 AromaticContact CD1-CD1 3.75Å; F284-F309 HydrophobicContact CD1-CD1 3.75Å; F284-F309 HydrophobicContact CD1-CE1 4.12Å; F284-F309 AromaticContact CE1-CD1 3.31Å; F284-F309 HydrophobicContact CE1-CD1 3.31Å; F284-F309 AromaticContact CE1-CE1 3.36Å; F284-F309 HydrophobicContact CE1-CE1 3.36Å; F284-F309 HydrophobicContact CE1-CG 4.47Å; F284-F309 HydrophobicContact CE2-CD1 4.2Å; F284-F309 HydrophobicContact CG-CD1 4.38Å; F284-F309 AromaticContact CZ-CD1 3.56Å; F284-F309 HydrophobicContact CZ-CD1 3.56Å; F284-F309 AromaticContact CZ-CE1 3.76Å; F284-F309 HydrophobicContact CZ-CE1 3.76Å; Q288-F309 HydrophobicContact CB-CB 3.79Å; Q288-F309 HydrophobicContact CB-CG 4.31Å; Q288-F309 HydrophobicContact CG-CB 4.07Å; Q288-F309 HydrophobicContact CG-CD2 4.24Å; Q288-F309 HydrophobicContact CG-CG 4.12Å; Q288-F309 PolarHBondContact O-N 2.8Å; Q288-F309 VanDerWaalsContact O-N 3.13Å; A307-F309 PolarHBondContact O-N 2.99Å; A307-F309 VanDerWaalsContact O-N 3.16Å; F309-L311 VanDerWaalsContact C-N 3.28Å; F309-L311 PolarHBondContact O-N 2.77Å; F309-F330 HydrophobicContact CD1-CD2 4.47Å; F309-F330 HydrophobicContact CD1-CE2 4.22Å; F309-F330 HydrophobicContact CD2-CE2 4.03Å; F309-F330 HydrophobicContact CE1-CD2 4.45Å; F309-F330 HydrophobicContact CE1-CE2 4.41Å; F309-F330 HydrophobicContact CE2-CE2 4.21Å; F309-F330 HydrophobicContact CG-CE2 4.03Å; F309-F330 HydrophobicContact CZ-CE2 4.41Å; F309-F330 WeakPolarHBondContact O-CD2 3.48Å; F309-F330 WeakPolarHBondContact O-CE2 3.48Å; F309-S338 WeakPolarHBondContact CE2-O 3.41Å; F309-S338 WeakPolarHBondContact CZ-O 3.14Å |
| 310 | G | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 71.4 | 16.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A307 R308 S328 V329 | A307-G310 PolarHBondContact O-N 2.77Å; R308-G310 VanDerWaalsContact C-N 3.25Å; R308-G310 PolarHBondContact O-N 2.86Å; G310-S328 CarbonylContact O-C 3.56Å; G310-S328 WeakPolarHBondContact O-CA 3.46Å; G310-S328 PolarHBondContact O-OG 3.31Å; G310-V329 WeakPolarHBondContact O-CG2 3.19Å; G310-V329 PolarHBondContact O-N 3.45Å |
| 311 | L | 95.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.5 | 165.6 | -69.2 | -177 | 0 | 0 | 0 | 110 | F279 F284 G306 A307 F309 | F279-L311 HydrophobicContact CB-CD1 4.02Å; F279-L311 HydrophobicContact CD1-CB 3.59Å; F279-L311 HydrophobicContact CD1-CD1 3.91Å; F279-L311 HydrophobicContact CD1-CG 4.42Å; F279-L311 HydrophobicContact CE1-CB 3.59Å; F279-L311 HydrophobicContact CG-CB 4.3Å; F279-L311 HydrophobicContact CG-CD1 4.1Å; F279-L311 HydrophobicContact CZ-CB 4.33Å; F284-L311 HydrophobicContact CD2-CD1 3.53Å; F284-L311 HydrophobicContact CD2-CG 4.1Å; F284-L311 HydrophobicContact CE2-CD1 3.77Å; F284-L311 HydrophobicContact CE2-CD2 4.01Å; F284-L311 HydrophobicContact CE2-CG 3.91Å; G306-L311 WeakPolarHBondContact CA-O 3.45Å; A307-L311 HydrophobicContact CB-CB 3.99Å; A307-L311 PolarHBondContact N-O 2.93Å; F309-L311 VanDerWaalsContact C-N 3.28Å; F309-L311 PolarHBondContact O-N 2.77Å |
| 312 | I | 97.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.2 | 176.7 | -55.6 | -61.2 | 0 | 0 | 0 | 108.8 | L5 V304 V305 I314 R326 F327 V329 L343 L346 | L5-I312 HydrophobicContact CD2-CG2 3.99Å; V304-I312 HydrophobicContact CG1-CG2 3.73Å; V305-I312 WeakPolarHBondContact O-CA 3.48Å; I312-I314 HydrophobicContact CG2-CD1 3.74Å; I312-I314 HydrophobicContact CG2-CG1 4.44Å; I312-R326 VanDerWaalsContact O-CA 3.29Å; I312-R326 WeakPolarHBondContact O-CA 3.49Å; I312-F327 HydrophobicContact CB-CD1 4.4Å; I312-F327 HydrophobicContact CB-CD2 4.21Å; I312-F327 HydrophobicContact CB-CE1 4.12Å; I312-F327 HydrophobicContact CB-CE2 3.9Å; I312-F327 HydrophobicContact CB-CG 4.45Å; I312-F327 HydrophobicContact CB-CZ 3.86Å; I312-F327 HydrophobicContact CG1-CD2 4.37Å; I312-F327 HydrophobicContact CG1-CE2 3.92Å; I312-F327 HydrophobicContact CG1-CZ 4.24Å; I312-F327 HydrophobicContact CG2-CE1 3.83Å; I312-F327 HydrophobicContact CG2-CE2 4.18Å; I312-F327 HydrophobicContact CG2-CZ 3.63Å; I312-F327 PolarHBondContact N-O 2.8Å; I312-F327 PolarHBondContact O-N 3.08Å; I312-V329 HydrophobicContact CD1-CG1 4.12Å; I312-V329 HydrophobicContact CG1-CG1 3.54Å; I312-L343 HydrophobicContact CD1-CD2 4.23Å; I312-L346 HydrophobicContact CD1-CD1 3.74Å |
| 313 | E | 96.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.6 | 166.9 | -86.5 | 177.2 | -171.7 | 0 | 0 | 109.5 | C278 F279 V305 L315 R326 | C278-E313 WeakPolarHBondContact CA-OE2 3.23Å; C278-E313 WeakPolarHBondContact CB-OE2 3.45Å; F279-E313 WeakPolarHBondContact CA-OE1 3.49Å; F279-E313 HydrophobicContact CD1-CB 4.46Å; F279-E313 HydrophobicContact CD1-CG 3.74Å; F279-E313 WeakPolarHBondContact CD1-OE1 3.45Å; F279-E313 HydrophobicContact CE1-CB 3.8Å; F279-E313 HydrophobicContact CE1-CG 3.54Å; F279-E313 HydrophobicContact CZ-CB 4.28Å; F279-E313 HydrophobicContact CZ-CG 4.42Å; F279-E313 VanDerWaalsContact N-CD 3.27Å; F279-E313 PolarHBondContact N-OE1 2.95Å; F279-E313 PolarHBondContact N-OE2 3.19Å; V305-E313 PolarHBondContact N-O 3.37Å; V305-E313 PolarHBondContact O-N 2.94Å; E313-L315 HydrophobicContact CB-CD2 4.18Å; E313-R326 HydrophobicContact CG-CB 4.1Å |
| 314 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.7 | 179.2 | -52.6 | -61.2 | 0 | 0 | 0 | 106.1 | P22 L23 V302 V304 I312 I324 Q325 F327 | P22-I314 HydrophobicContact CB-CD1 3.86Å; P22-I314 HydrophobicContact CB-CG1 4.32Å; P22-I314 WeakPolarHBondContact O-CG1 3.1Å; L23-I314 HydrophobicContact CD2-CG2 4.41Å; V302-I314 HydrophobicContact CG1-CG2 3.38Å; V304-I314 HydrophobicContact CB-CD1 4.23Å; V304-I314 HydrophobicContact CG1-CD1 3.87Å; V304-I314 HydrophobicContact CG2-CD1 3.68Å; I312-I314 HydrophobicContact CG2-CD1 3.74Å; I312-I314 HydrophobicContact CG2-CG1 4.44Å; I314-I324 HydrophobicContact CG2-CB 4.36Å; I314-I324 HydrophobicContact CG2-CD1 4.5Å; I314-I324 WeakPolarHBondContact O-CB 3.37Å; I314-I324 PolarHBondContact O-N 3.17Å; I314-Q325 HydrophobicContact CB-CB 4.07Å; I314-Q325 HydrophobicContact CG1-CB 4.09Å; I314-Q325 PolarHBondContact N-O 2.74Å; I314-Q325 PolarHBondContact O-N 3.29Å; I314-F327 HydrophobicContact CD1-CE1 4.16Å; I314-F327 HydrophobicContact CG1-CE1 4.02Å |
| 315 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.3 | -175.4 | -50.4 | -178.7 | 0 | 0 | 0 | 109.5 | L257 V302 L303 V305 E313 L321 T322 C323 | L257-L315 HydrophobicContact CD2-CD1 3.76Å; V302-L315 WeakPolarHBondContact CA-O 3.08Å; L303-L315 HydrophobicContact CB-CB 4.36Å; L303-L315 HydrophobicContact CD2-CD1 4.44Å; L303-L315 PolarHBondContact N-O 3.2Å; L303-L315 PolarHBondContact O-N 3.05Å; V305-L315 HydrophobicContact CG2-CD1 3.7Å; V305-L315 HydrophobicContact CG2-CG 4.23Å; E313-L315 HydrophobicContact CB-CD2 4.18Å; L315-L321 HydrophobicContact CD1-CB 4.36Å; L315-T322 CarbonylContact C-O 3.58Å; L315-T322 WeakPolarHBondContact CA-O 3.08Å; L315-C323 HydrophobicContact CD2-CB 3.81Å |
| 316 | R | 93.5 | Very high | 93 | Very high | 130 Ų | 130 | 46.8 Ų | 46.8 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | trans | -77.6 | 128.5 | 160.5 | -168.8 | 175.8 | -65 | 142 | -1.8 | 107.6 | D318 L321 T322 I324 | R316-D318 WeakPolarHBondContact CD-OD2 3.03Å; R316-D318 HydrophobicContact CG-CB 4.29Å; R316-D318 IonicContact NH1-OD2 3.24Å; R316-D318 PolarHBondContact O-N 3.4Å; R316-L321 WeakPolarHBondContact O-CA 3.3Å; R316-T322 PolarHBondContact N-O 3.22Å; R316-I324 HydrophobicContact CB-CD1 4.02Å; R316-I324 HydrophobicContact CB-CG1 4.32Å | ||
| 317 | P | 90.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 48 Ų | 48 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | trans | -77.9 | 47.5 | 177.7 | 34.8 | -35.8 | 0 | 0 | 0 | 111.7 | F249 M296 C300 E301 L303 | F249-P317 HydrophobicContact CZ-CB 4.19Å; M296-P317 HydrophobicContact CE-CB 3.55Å; M296-P317 HydrophobicContact CE-CG 3.95Å; C300-P317 WeakPolarHBondContact O-CG 3.06Å; E301-P317 VanDerWaalsContact O-CD 3.28Å; E301-P317 WeakPolarHBondContact O-CD 3.5Å; L303-P317 HydrophobicContact CB-CB 4.45Å | ||
| 318 | D | 87.3 | Confident | 92.7 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -86.2 | 174.1 | 167.4 | 59.5 | 23.5 | 0 | 0 | 0 | 110.3 | R316 L320 L321 T322 | R316-D318 WeakPolarHBondContact CD-OD2 3.03Å; R316-D318 HydrophobicContact CG-CB 4.29Å; R316-D318 IonicContact NH1-OD2 3.24Å; R316-D318 PolarHBondContact O-N 3.4Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 PolarHBondContact OD1-N 3.2Å; D318-L321 PolarHBondContact O-N 2.89Å; D318-L321 PolarHBondContact OD1-N 3.27Å; D318-T322 PolarHBondContact OD1-N 3Å; D318-T322 VanDerWaalsContact OD1-N 3.11Å; D318-T322 PolarHBondContact OD1-OG1 3.14Å; D318-T322 PolarHBondContact OD2-OG1 3.12Å; D318-T322 VanDerWaalsContact OD2-OG1 3.08Å |
| 319 | S | 83.3 | Confident | 92.6 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.8 | 179 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 320 | L | 86.1 | Confident | 92.4 | Very high | 132 Ų | 132 | 44.8 Ų | 44.8 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -11.1 | 178.6 | -64 | 177.8 | 0 | 0 | 0 | 112.8 | D318 T322 | D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 PolarHBondContact OD1-N 3.2Å; L320-T322 VanDerWaalsContact C-N 3.29Å; L320-T322 PolarHBondContact O-N 3.19Å |
| 321 | L | 90.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | trans | 49 | 51.9 | -171 | -70 | 169.9 | 0 | 0 | 0 | 111.6 | F249 L257 H276 L303 L315 R316 D318 C323 | F249-L321 HydrophobicContact CD1-CD2 4.49Å; F249-L321 HydrophobicContact CE1-CD2 3.83Å; L257-L321 HydrophobicContact CD2-CD1 3.88Å; H276-L321 HydrophobicContact CB-CD1 3.7Å; H276-L321 PolarHBondContact CE1-O 3.02Å; H276-L321 VanDerWaalsContact CE1-O 3.3Å; L303-L321 HydrophobicContact CD2-CD2 4.22Å; L315-L321 HydrophobicContact CD1-CB 4.36Å; R316-L321 WeakPolarHBondContact O-CA 3.3Å; D318-L321 PolarHBondContact O-N 2.89Å; D318-L321 PolarHBondContact OD1-N 3.27Å; L321-C323 PolarHBondContact O-N 3.41Å; L321-C323 VanDerWaalsContact O-N 3.15Å | ||
| 322 | T | 92 | Very high | 90.6 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | trans | -59.5 | 119.3 | -172.8 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | L315 R316 D318 L320 I324 | L315-T322 CarbonylContact C-O 3.58Å; L315-T322 WeakPolarHBondContact CA-O 3.08Å; R316-T322 PolarHBondContact N-O 3.22Å; D318-T322 PolarHBondContact OD1-N 3Å; D318-T322 VanDerWaalsContact OD1-N 3.11Å; D318-T322 PolarHBondContact OD1-OG1 3.14Å; D318-T322 PolarHBondContact OD2-OG1 3.12Å; D318-T322 VanDerWaalsContact OD2-OG1 3.08Å; L320-T322 VanDerWaalsContact C-N 3.29Å; L320-T322 PolarHBondContact O-N 3.19Å; T322-I324 PolarHBondContact O-N 3.49Å | ||
| 323 | C | 93.8 | Very high | 89.3 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 32% | 0.324 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 114.9 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | L315 L321 | L315-C323 HydrophobicContact CD2-CB 3.81Å; L321-C323 PolarHBondContact O-N 3.41Å; L321-C323 VanDerWaalsContact O-N 3.15Å |
| 324 | I | 94.1 | Very high | 87.8 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -46.5 | 178.2 | -55.1 | 173.1 | 0 | 0 | 0 | 110.3 | L23 V302 I314 R316 T322 | L23-I324 HydrophobicContact CD2-CG2 3.93Å; V302-I324 HydrophobicContact CG2-CD1 4.49Å; I314-I324 HydrophobicContact CG2-CB 4.36Å; I314-I324 HydrophobicContact CG2-CD1 4.5Å; I314-I324 WeakPolarHBondContact O-CB 3.37Å; I314-I324 PolarHBondContact O-N 3.17Å; R316-I324 HydrophobicContact CB-CD1 4.02Å; R316-I324 HydrophobicContact CB-CG1 4.32Å; T322-I324 PolarHBondContact O-N 3.49Å |
| 325 | Q | 94.2 | Very high | 86.2 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 153.6 | -174.2 | -179.7 | 58.3 | -41.3 | 0 | 0 | 111.7 | P22 G24 I314 F327 | P22-Q325 WeakPolarHBondContact O-CG 3.05Å; G24-Q325 PolarHBondContact O-NE2 3.47Å; I314-Q325 HydrophobicContact CB-CB 4.07Å; I314-Q325 HydrophobicContact CG1-CB 4.09Å; I314-Q325 PolarHBondContact N-O 2.74Å; I314-Q325 PolarHBondContact O-N 3.29Å; Q325-F327 HydrophobicContact CG-CD1 4.15Å |
| 326 | R | 93.8 | Very high | 84.3 | Confident | 134 Ų | 134 | 67.2 Ų | 67.2 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.7 | 176.9 | 69.8 | -174.4 | 90 | 168.6 | -1.7 | 111.2 | D281 I312 E313 | D281-R326 IonicContact OD2-CZ 2.83Å; D281-R326 IonicContact OD2-NH1 3.69Å; D281-R326 PolarHBondContact OD2-NH1 3.13Å; D281-R326 IonicContact OD2-NH2 2.8Å; I312-R326 VanDerWaalsContact O-CA 3.29Å; I312-R326 WeakPolarHBondContact O-CA 3.49Å; E313-R326 HydrophobicContact CG-CB 4.1Å |
| 327 | F | 94.1 | Very high | 82.4 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 172.3 | 175.5 | 56.1 | -83.8 | 0 | 0 | 0 | 111.5 | L5 W20 I312 I314 Q325 V329 | L5-F327 HydrophobicContact CD2-CE2 4.24Å; L5-F327 HydrophobicContact CD2-CZ 3.68Å; W20-F327 HydrophobicContact CB-CE2 4.46Å; W20-F327 HydrophobicContact CB-CZ 4.44Å; W20-F327 AromaticContact CD2-CE2 3.87Å; W20-F327 HydrophobicContact CD2-CE2 3.87Å; W20-F327 AromaticContact CE3-CD2 3.98Å; W20-F327 HydrophobicContact CE3-CD2 3.98Å; W20-F327 AromaticContact CE3-CE2 3.76Å; W20-F327 HydrophobicContact CE3-CE2 3.76Å; W20-F327 HydrophobicContact CG-CE2 4.17Å; W20-F327 HydrophobicContact CZ3-CD2 4.15Å; W20-F327 HydrophobicContact CZ3-CE2 4.32Å; I312-F327 HydrophobicContact CB-CD1 4.4Å; I312-F327 HydrophobicContact CB-CD2 4.21Å; I312-F327 HydrophobicContact CB-CE1 4.12Å; I312-F327 HydrophobicContact CB-CE2 3.9Å; I312-F327 HydrophobicContact CB-CG 4.45Å; I312-F327 HydrophobicContact CB-CZ 3.86Å; I312-F327 HydrophobicContact CG1-CD2 4.37Å; I312-F327 HydrophobicContact CG1-CE2 3.92Å; I312-F327 HydrophobicContact CG1-CZ 4.24Å; I312-F327 HydrophobicContact CG2-CE1 3.83Å; I312-F327 HydrophobicContact CG2-CE2 4.18Å; I312-F327 HydrophobicContact CG2-CZ 3.63Å; I312-F327 PolarHBondContact N-O 2.8Å; I312-F327 PolarHBondContact O-N 3.08Å; I314-F327 HydrophobicContact CD1-CE1 4.16Å; I314-F327 HydrophobicContact CG1-CE1 4.02Å; Q325-F327 HydrophobicContact CG-CD1 4.15Å; F327-V329 HydrophobicContact CE2-CG1 4.21Å |
| 328 | S | 93 | Very high | 80.9 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.3 | 171.8 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | G310 F330 | G310-S328 CarbonylContact O-C 3.56Å; G310-S328 WeakPolarHBondContact O-CA 3.46Å; G310-S328 PolarHBondContact O-OG 3.31Å; S328-F330 PolarHBondContact OG-N 3.2Å |
| 329 | V | 92.7 | Very high | 79.7 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 41% | 0.408 | C | S | . | . | trans | -86.6 | -13.7 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | T7 T9 W20 G310 I312 F327 L343 | T7-V329 HydrophobicContact CG2-CG1 3.97Å; T9-V329 HydrophobicContact CG2-CB 4.47Å; T9-V329 HydrophobicContact CG2-CG2 3.67Å; W20-V329 HydrophobicContact CH2-CB 4.35Å; W20-V329 HydrophobicContact CZ2-CB 3.77Å; W20-V329 HydrophobicContact CZ2-CG1 3.89Å; G310-V329 WeakPolarHBondContact O-CG2 3.19Å; G310-V329 PolarHBondContact O-N 3.45Å; I312-V329 HydrophobicContact CD1-CG1 4.12Å; I312-V329 HydrophobicContact CG1-CG1 3.54Å; F327-V329 HydrophobicContact CE2-CG1 4.21Å; V329-L343 HydrophobicContact CG2-CD1 4.06Å | ||
| 330 | F | 88.9 | Confident | 79.5 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 5% | 0.048 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -79.1 | 144.2 | 179 | -67.5 | -46.5 | 0 | 0 | 0 | 110.9 | T9 E11 F309 S328 P332 | T9-F330 HydrophobicContact CG2-CD1 4.08Å; T9-F330 HydrophobicContact CG2-CE1 3.8Å; E11-F330 HydrophobicContact CB-CD1 4.26Å; E11-F330 HydrophobicContact CB-CE1 4.41Å; F309-F330 HydrophobicContact CD1-CD2 4.47Å; F309-F330 HydrophobicContact CD1-CE2 4.22Å; F309-F330 HydrophobicContact CD2-CE2 4.03Å; F309-F330 HydrophobicContact CE1-CD2 4.45Å; F309-F330 HydrophobicContact CE1-CE2 4.41Å; F309-F330 HydrophobicContact CE2-CE2 4.21Å; F309-F330 HydrophobicContact CG-CE2 4.03Å; F309-F330 HydrophobicContact CZ-CE2 4.41Å; F309-F330 WeakPolarHBondContact O-CD2 3.48Å; F309-F330 WeakPolarHBondContact O-CE2 3.48Å; S328-F330 PolarHBondContact OG-N 3.2Å; F330-P332 VanDerWaalsContact O-CD 3.3Å; F330-P332 WeakPolarHBondContact O-CD 3.2Å |
| 331 | N | 77 | Confident | 79.5 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 32% | 0.316 | 38% | 0.384 | S | S | . | . | trans | -75.6 | 118.3 | 174.6 | -173.2 | -17.8 | 0 | 0 | 0 | 109.1 | E11 S333 I334 S335 | E11-N331 PolarHBondContact OE2-N 3.41Å; N331-S333 VanDerWaalsContact CG-OG 3.29Å; N331-S333 PolarHBondContact ND2-OG 3.34Å; N331-S333 PolarHBondContact O-N 3.5Å; N331-S333 VanDerWaalsContact O-N 3.08Å; N331-S333 PolarHBondContact OD1-N 3.23Å; N331-S333 PolarHBondContact OD1-OG 2.95Å; N331-I334 HydrophobicContact CB-CB 4.25Å; N331-I334 HydrophobicContact CB-CD1 3.95Å; N331-I334 HydrophobicContact CB-CG1 4.09Å; N331-I334 PolarHBondContact O-N 3.24Å; N331-S335 WeakPolarHBondContact O-CB 3.48Å; N331-S335 PolarHBondContact O-N 3.1Å; N331-S335 PolarHBondContact O-OG 3.12Å | ||
| 332 | P | 73.5 | Confident | 79.7 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.6 | 179.1 | 24.7 | -34.3 | 0 | 0 | 0 | 113 | F330 | F330-P332 VanDerWaalsContact O-CD 3.3Å; F330-P332 WeakPolarHBondContact O-CD 3.2Å |
| 333 | S | 68.7 | Low | 79.8 | Confident | 90 Ų | 90 | 67 Ų | 67 | 63% | 0.629 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.2 | 177.6 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | N331 | N331-S333 VanDerWaalsContact CG-OG 3.29Å; N331-S333 PolarHBondContact ND2-OG 3.34Å; N331-S333 PolarHBondContact O-N 3.5Å; N331-S333 VanDerWaalsContact O-N 3.08Å; N331-S333 PolarHBondContact OD1-N 3.23Å; N331-S333 PolarHBondContact OD1-OG 2.95Å |
| 334 | I | 66.8 | Low | 79.9 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -37 | -175.2 | -59.3 | 174.9 | 0 | 0 | 0 | 110.4 | E11 Q13 N331 N336 | E11-I334 HydrophobicContact CG-CG2 3.88Å; E11-I334 WeakPolarHBondContact OE1-CB 3.29Å; E11-I334 VanDerWaalsContact OE1-CG2 3.26Å; E11-I334 WeakPolarHBondContact OE1-CG2 3.31Å; Q13-I334 HydrophobicContact CG-CD1 3.93Å; N331-I334 HydrophobicContact CB-CB 4.25Å; N331-I334 HydrophobicContact CB-CD1 3.95Å; N331-I334 HydrophobicContact CB-CG1 4.09Å; N331-I334 PolarHBondContact O-N 3.24Å; I334-N336 PolarHBondContact O-N 2.86Å |
| 335 | S | 60.8 | Low | 79.9 | Confident | 33 Ų | 33 | 62 Ų | 62 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 52.6 | -172.4 | 56 | 0 | 0 | 0 | 0 | 114.8 | E11 N331 | E11-S335 PolarHBondContact OE1-N 3.23Å; N331-S335 WeakPolarHBondContact O-CB 3.48Å; N331-S335 PolarHBondContact O-N 3.1Å; N331-S335 PolarHBondContact O-OG 3.12Å |
| 336 | N | 55.1 | Low | 80 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.1 | 165.3 | -79 | -17.2 | 0 | 0 | 0 | 112.1 | I334 S338 | I334-N336 PolarHBondContact O-N 2.86Å; N336-S338 PolarHBondContact O-N 3.04Å |
| 337 | D | 55.2 | Low | 80.1 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 69% | 0.69 | 32% | 0.323 | S | S | * | . | trans | -88.5 | 80.1 | 176.6 | -88 | -14.1 | 0 | 0 | 0 | 111.2 | T339 | D337-T339 PolarHBondContact O-N 3.19Š| ||
| 338 | S | 58 | Low | 80.1 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -3.4 | -175.2 | 61 | 0 | 0 | 0 | 0 | 116.3 | F309 N336 | F309-S338 WeakPolarHBondContact CE2-O 3.41Å; F309-S338 WeakPolarHBondContact CZ-O 3.14Å; N336-S338 PolarHBondContact O-N 3.04Å |
| 339 | T | 62.9 | Low | 80 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 69% | 0.693 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -21.5 | -168.2 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | D337 | D337-T339 PolarHBondContact O-N 3.19Š|
| 340 | N | 78.1 | Confident | 79.7 | Confident | 139 Ų | 139 | 57.7 Ų | 57.7 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -7.8 | -168.9 | -74.5 | -18.7 | 0 | 0 | 0 | 115.7 | S10 | S10-N340 PolarHBondContact OG-O 3.05Š|
| 341 | T | 87.7 | Confident | 79.5 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | trans | -81.8 | 138 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | S10 E11 | S10-T341 WeakPolarHBondContact OG-CA 3.42Å; E11-T341 HydrophobicContact CB-CG2 4.11Å; E11-T341 HydrophobicContact CG-CG2 4.22Å | ||
| 342 | C | 92.9 | Very high | 79.6 | Confident | 37 Ų | 37 | 58 Ų | 58 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | trans | -146.3 | 156.9 | 176.3 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | T9 S10 R308 T344 | T9-C342 CarbonylContact C-O 3.58Å; T9-C342 WeakPolarHBondContact CA-O 3.25Å; S10-C342 PolarHBondContact N-O 3.29Å; S10-C342 PolarHBondContact OG-N 3.31Å; S10-C342 PolarHBondContact OG-O 2.72Å; S10-C342 PolarHBondContact OG-SG 3.31Å; R308-C342 HydrophobicContact CG-CB 4.21Å; R308-C342 CarbonylContact O-C 3.59Å; R308-C342 WeakPolarHBondContact O-CA 3.44Å; R308-C342 WeakPolarHBondContact O-CB 3.38Å; C342-T344 PolarHBondContact O-N 2.84Å | ||
| 343 | L | 95.1 | Very high | 79.7 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 124 | 167.1 | -175.4 | 70.1 | 0 | 0 | 0 | 108.8 | T7 M293 R308 I312 V329 L346 | T7-L343 HydrophobicContact CG2-CD1 4.47Å; M293-L343 HydrophobicContact CB-CD2 4.07Å; M293-L343 HydrophobicContact CG-CD2 4.13Å; M293-L343 HydrophobicContact SD-CD2 3.92Å; M293-L343 HydrophobicContact SD-CG 3.85Å; R308-L343 PolarHBondContact O-N 3.38Å; I312-L343 HydrophobicContact CD1-CD2 4.23Å; V329-L343 HydrophobicContact CG2-CD1 4.06Å; L343-L346 HydrophobicContact CD2-CD1 4.18Å |
| 344 | T | 94.9 | Very high | 79.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -12.9 | -176.7 | 53 | 0 | 0 | 0 | 0 | 113.5 | T8 T9 K38 S39 M293 C342 | T8-T344 WeakPolarHBondContact CB-OG1 3.21Å; T8-T344 PolarHBondContact O-N 3.06Å; T8-T344 PolarHBondContact O-OG1 3.35Å; T8-T344 VanDerWaalsContact O-OG1 3.07Å; T8-T344 VanDerWaalsContact OG1-C 3.31Å; T8-T344 PolarHBondContact OG1-OG1 3.05Å; T9-T344 VanDerWaalsContact C-OG1 3.32Å; T9-T344 VanDerWaalsContact CA-OG1 3.29Å; T9-T344 WeakPolarHBondContact CA-OG1 3.3Å; T9-T344 PolarHBondContact N-OG1 2.89Å; T9-T344 VanDerWaalsContact N-OG1 3.14Å; K38-T344 CarbonylContact C-O 3.55Å; K38-T344 WeakPolarHBondContact CA-O 3.48Å; S39-T344 PolarHBondContact N-O 3.1Å; M293-T344 WeakPolarHBondContact CE-O 3.48Å; C342-T344 PolarHBondContact O-N 2.84Å |
| 345 | G | 95.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 145.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T7 T8 I41 M293 | T7-G345 CarbonylContact C-O 3.46Å; T7-G345 VanDerWaalsContact CA-O 3.27Å; T7-G345 WeakPolarHBondContact CA-O 3.13Å; T8-G345 PolarHBondContact N-O 2.79Å; T8-G345 PolarHBondContact O-N 3.05Å; T8-G345 VanDerWaalsContact OG1-CA 3.28Å; T8-G345 WeakPolarHBondContact OG1-CA 3.28Å; T8-G345 PolarHBondContact OG1-N 3.43Å; I41-G345 VanDerWaalsContact CG2-C 3.47Å; M293-G345 WeakPolarHBondContact SD-CA 3.3Å; M293-G345 PolarHBondContact SD-N 2.88Å; M293-G345 VanDerWaalsContact SD-N 3.39Å |
| 346 | L | 96.3 | Very high | 80 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 126.7 | 177.3 | -170 | 146 | 0 | 0 | 0 | 109.4 | L5 V6 I41 M293 A295 V304 I312 L343 | L5-L346 HydrophobicContact CD1-CD1 4.15Å; L5-L346 HydrophobicContact CD1-CD2 3.86Å; L5-L346 HydrophobicContact CD1-CG 3.71Å; V6-L346 WeakPolarHBondContact O-CA 3.33Å; I41-L346 VanDerWaalsContact CG2-N 3.28Å; M293-L346 HydrophobicContact CB-CB 3.83Å; M293-L346 HydrophobicContact CB-CD1 4.37Å; M293-L346 HydrophobicContact CG-CB 4.42Å; M293-L346 HydrophobicContact SD-CB 3.81Å; M293-L346 PolarHBondContact SD-N 2.96Å; A295-L346 HydrophobicContact CB-CD2 3.45Å; A295-L346 VanDerWaalsContact CB-CD2 3.45Å; V304-L346 HydrophobicContact CB-CD2 4.33Å; V304-L346 HydrophobicContact CG1-CD1 3.85Å; V304-L346 HydrophobicContact CG1-CD2 4.07Å; V304-L346 HydrophobicContact CG1-CG 4.47Å; I312-L346 HydrophobicContact CD1-CD1 3.74Å; L343-L346 HydrophobicContact CD2-CD1 4.18Å |
| 347 | C | 95 | Very high | 79.3 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.095 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 159.5 | 169 | 70 | 0 | 0 | 0 | 0 | 111.3 | V6 | V6-C347 PolarHBondContact N-O 2.6Å; V6-C347 PolarHBondContact O-N 2.86Å |
| 348 | L | 94.1 | Very high | 78.5 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.8 | 170.8 | -72 | 166.7 | 0 | 0 | 0 | 109.4 | L4 L5 A295 M296 D297 V304 | L4-L348 WeakPolarHBondContact O-CA 3.49Å; L5-L348 HydrophobicContact CB-CD2 4.21Å; L5-L348 HydrophobicContact CD1-CD2 4.2Å; A295-L348 HydrophobicContact CB-CD1 3.98Å; A295-L348 HydrophobicContact CB-CG 4.04Å; M296-L348 VanDerWaalsContact C-CD1 3.43Å; D297-L348 HydrophobicContact CB-CD1 3.99Å; D297-L348 VanDerWaalsContact N-CD1 3.31Å; V304-L348 HydrophobicContact CG2-CD1 4.11Å; V304-L348 HydrophobicContact CG2-CD2 3.98Å; V304-L348 HydrophobicContact CG2-CG 4.32Å |
| 349 | I | 90.6 | Very high | 77.2 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151 | 173 | 62.2 | 173.7 | 0 | 0 | 0 | 110.6 | S3 L4 V6 V48 F63 R351 | S3-I349 CarbonylContact C-O 3.56Å; S3-I349 WeakPolarHBondContact CA-O 3.26Å; S3-I349 VanDerWaalsContact CB-O 3.28Å; S3-I349 WeakPolarHBondContact CB-O 3.2Å; L4-I349 HydrophobicContact CB-CD1 4.43Å; L4-I349 HydrophobicContact CB-CG1 3.91Å; L4-I349 PolarHBondContact N-O 2.86Å; L4-I349 PolarHBondContact O-N 3.06Å; V6-I349 HydrophobicContact CG2-CD1 3.73Å; V6-I349 HydrophobicContact CG2-CG1 3.93Å; V6-I349 HydrophobicContact CG2-CG2 4.34Å; V48-I349 HydrophobicContact CG2-CD1 4Å; V48-I349 HydrophobicContact CG2-CG2 3.49Å; V48-I349 VanDerWaalsContact CG2-CG2 3.49Å; F63-I349 HydrophobicContact CD2-CD1 3.86Å; F63-I349 HydrophobicContact CE2-CD1 3.69Å; F63-I349 HydrophobicContact CG-CD1 4.46Å; F63-I349 HydrophobicContact CZ-CD1 4.09Å; I349-R351 PolarHBondContact O-N 3.34Å |
| 350 | P | 87.2 | Confident | 75.6 | Confident | 104 Ų | 104 | 59 Ų | 59 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 138.2 | 167.9 | -21.9 | 33.3 | 0 | 0 | 0 | 110.4 | P352 | P350-P352 WeakPolarHBondContact O-CD 3.37Š|
| 351 | R | 84.5 | Confident | 73.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 123.3 | 174.1 | 179.4 | 172.8 | -169.5 | 134.5 | -0.6 | 109.2 | T2 L4 D21 I349 L355 | T2-R351 WeakPolarHBondContact O-CB 3.33Å; L4-R351 HydrophobicContact CD1-CB 4.49Å; L4-R351 HydrophobicContact CD1-CG 4.34Å; L4-R351 HydrophobicContact CD2-CG 4.39Å; L4-R351 HydrophobicContact CG-CB 4.1Å; L4-R351 HydrophobicContact CG-CG 4.24Å; D21-R351 IonicContact OD2-NH1 3.79Å; I349-R351 PolarHBondContact O-N 3.34Å; R351-L355 HydrophobicContact CG-CB 4.11Å; R351-L355 PolarHBondContact NE-O 2.76Å; R351-L355 PolarHBondContact NH2-O 2.9Å |
| 352 | P | 79.8 | Confident | 70.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 145.6 | 178.3 | -23.9 | 34.8 | 0 | 0 | 0 | 112 | F63 P350 W354 L355 | F63-P352 HydrophobicContact CB-CB 4.37Å; F63-P352 HydrophobicContact CB-CG 3.61Å; F63-P352 HydrophobicContact CD1-CG 4.22Å; F63-P352 HydrophobicContact CG-CG 4.16Å; P350-P352 WeakPolarHBondContact O-CD 3.37Å; P352-W354 VanDerWaalsContact C-N 3.26Å; P352-W354 HydrophobicContact CB-CG 4.41Å; P352-W354 VanDerWaalsContact CB-NE1 3.32Å; P352-W354 PolarHBondContact O-N 3.42Å; P352-L355 HydrophobicContact CG-CD1 4.31Å; P352-L355 PolarHBondContact O-N 2.93Å |
| 353 | D | 74.7 | Confident | 67.5 | Low | 122 Ų | 122 | 70.7 Ų | 70.7 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -56.2 | -39.6 | -176.9 | -64.2 | -23.3 | 0 | 0 | 0 | 112.7 | L355 S356 | D353-L355 PolarHBondContact O-N 2.87Å; D353-S356 WeakPolarHBondContact O-CB 3.41Å; D353-S356 PolarHBondContact O-N 2.86Å; D353-S356 PolarHBondContact O-OG 2.82Å |
| 354 | W | 72.9 | Confident | 64.3 | Low | 106 Ų | 106 | 77.6 Ų | 77.6 | 40% | 0.402 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -66.6 | -17.6 | -179.9 | 62.7 | -93.5 | 0 | 0 | 0 | 114 | F63 A66 P352 | F63-W354 PolarHBondContact O-NE1 3.41Å; A66-W354 HydrophobicContact CB-CD2 4.02Å; A66-W354 HydrophobicContact CB-CE3 4.15Å; A66-W354 HydrophobicContact CB-CG 4.33Å; P352-W354 VanDerWaalsContact C-N 3.26Å; P352-W354 HydrophobicContact CB-CG 4.41Å; P352-W354 VanDerWaalsContact CB-NE1 3.32Å; P352-W354 PolarHBondContact O-N 3.42Å |
| 355 | L | 67.3 | Low | 61.4 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 19% | 0.188 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -91 | -4.4 | 172.3 | -81.8 | 167 | 0 | 0 | 0 | 113.5 | L4 V28 R351 P352 D353 | L4-L355 HydrophobicContact CD1-CD1 3.85Å; V28-L355 HydrophobicContact CG1-CD1 4.47Å; V28-L355 HydrophobicContact CG1-CD2 4Å; R351-L355 HydrophobicContact CG-CB 4.11Å; R351-L355 PolarHBondContact NE-O 2.76Å; R351-L355 PolarHBondContact NH2-O 2.9Å; P352-L355 HydrophobicContact CG-CD1 4.31Å; P352-L355 PolarHBondContact O-N 2.93Å; D353-L355 PolarHBondContact O-N 2.87Å |
| 356 | S | 62.7 | Low | 58.3 | Low | 61 Ų | 61 | 87.7 Ų | 87.7 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -87.8 | -12.6 | -177.6 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | D353 T358 | D353-S356 WeakPolarHBondContact O-CB 3.41Å; D353-S356 PolarHBondContact O-N 2.86Å; D353-S356 PolarHBondContact O-OG 2.82Å; S356-T358 PolarHBondContact O-N 2.79Å; S356-T358 VanDerWaalsContact O-N 3.16Å |
| 357 | N | 41.2 | Very low | 55.4 | Low | 133 Ų | 133 | 96 Ų | 96 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | trans | -86.2 | 86.3 | 179.1 | -72.6 | -18 | 0 | 0 | 0 | 112 | V359 | N357-V359 PolarHBondContact O-N 2.96Š| ||
| 358 | T | 38 | Very low | 52.5 | Low | 132 Ų | 132 | 101.4 Ų | 101.4 | 81% | 0.81 | 58% | 0.575 | S | S | * | * | trans | -68.6 | 103.6 | 145.9 | 42.5 | 0 | 0 | 0 | 0 | 107.4 | S356 G360 | S356-T358 PolarHBondContact O-N 2.79Å; S356-T358 VanDerWaalsContact O-N 3.16Å; T358-G360 PolarHBondContact O-N 2.92Å; T358-G360 VanDerWaalsContact O-N 3.09Å | ||
| 359 | V | 30.7 | Very low | 49.5 | Very low | 125 Ų | 125 | 105.3 Ų | 105.3 | 76% | 0.758 | 61% | 0.605 | S | S | * | * | trans | -53.2 | 115.8 | 165.6 | 174.5 | 0 | 0 | 0 | 0 | 107.2 | N357 I361 | N357-V359 PolarHBondContact O-N 2.96Å; V359-I361 PolarHBondContact O-N 3.04Å; V359-I361 VanDerWaalsContact O-N 3.1Å | ||
| 360 | G | 28 | Very low | 47 | Very low | 62 Ų | 62 | 110.6 Ų | 110.6 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | trans | -54.8 | 116.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T358 E362 | T358-G360 PolarHBondContact O-N 2.92Å; T358-G360 VanDerWaalsContact O-N 3.09Å; G360-E362 PolarHBondContact O-N 3.28Å | ||
| 361 | I | 28.9 | Very low | 44.4 | Very low | 171 Ų | 171 | 113.2 Ų | 113.2 | 88% | 0.877 | 65% | 0.651 | S | S | * | * | trans | -71.9 | 81 | 162 | -60.3 | 173.1 | 0 | 0 | 0 | 105.2 | V359 | V359-I361 PolarHBondContact O-N 3.04Å; V359-I361 VanDerWaalsContact O-N 3.1Å | ||
| 362 | E | 31 | Very low | 42.2 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | -101.7 | 104.5 | 160.6 | -78 | -169.1 | 165.7 | 0 | 0 | 108.1 | G360 | G360-E362 PolarHBondContact O-N 3.28Š| ||
| 363 | S | 28.8 | Very low | 39.9 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | 30 | 106.2 | 149.9 | 54.4 | 0 | 0 | 0 | 0 | 117.9 | D365 | S363-D365 PolarHBondContact O-N 2.88Å; S363-D365 VanDerWaalsContact O-N 3.13Å | ||
| 364 | V | 28.3 | Very low | 38.1 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -56.9 | 106.8 | 149.9 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 365 | D | 34.1 | Very low | 36.3 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -140 | 93.4 | 158 | -93.7 | -35.8 | 0 | 0 | 0 | 110.9 | S363 | S363-D365 PolarHBondContact O-N 2.88Å; S363-D365 VanDerWaalsContact O-N 3.13Å | ||
| 366 | A | 30.8 | Very low | 34.6 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | 44.5 | 129.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 367 | K | 34.4 | Very low | 33.2 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | 83.2 | 131.3 | 153.4 | -59.8 | 168.7 | -177 | 176.3 | 0 | 114.5 | ||||
| 368 | T | 34.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -168.3 | 145.9 | 14.3 | 2.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 369 | S | 32 | Very low | 32.4 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -58.6 | 139.7 | 170.6 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 370 | S | 37.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -169 | 125.7 | 130.3 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 371 | N | 32.4 | Very low | 32.2 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 150.4 | 175 | -60.4 | -33 | 0 | 0 | 0 | 113.5 | ||||
| 372 | S | 38.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -178.6 | 135.2 | 119.6 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 373 | D | 31.3 | Very low | 32.4 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -61.8 | 150.4 | 177.7 | -55.2 | -64.1 | 0 | 0 | 0 | 114.8 | ||||
| 374 | H | 36.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | 168.9 | 131.8 | 113.4 | -92.6 | -50.9 | 0 | 0 | 0 | 114.9 | |||||
| 375 | Y | 35.3 | Very low | 32.7 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 52.8 | 119.4 | 142.9 | -77.5 | -74.3 | 0 | 0 | 0 | 123.3 | ||||
| 376 | T | 31.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | 25.8 | 134.6 | 128.5 | 60.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 377 | D | 32.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | -174.7 | 151.6 | 52.2 | -137.3 | -12.7 | 0 | 0 | 0 | 110.2 | |||||
| 378 | Q | 31.7 | Very low | 32.1 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 31.2 | 113 | 147.4 | -69.2 | 168.4 | 57.5 | 0 | 0 | 121 | ||||
| 379 | N | 30.1 | Very low | 31.7 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 161.2 | 131.5 | 106 | -88.9 | -37.9 | 0 | 0 | 0 | 113.5 | |||||
| 380 | G | 27.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 78.7 | 103.1 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 381 | G | 27.7 | Very low | 30.9 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 147.5 | 84.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 382 | L | 31.5 | Very low | 30.6 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -128.3 | 99.2 | 160.7 | -80.9 | 151.4 | 0 | 0 | 0 | 104.6 | ||||
| 383 | N | 33 | Very low | 30.1 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 53.8 | 81.5 | 54.2 | -77.1 | 2.7 | 0 | 0 | 0 | 114.8 | |||||
| 384 | S | 30.6 | Very low | 30 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | 64 | 124.6 | 121.5 | 69.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 385 | S | 32.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 87.3 | 98 | 134.5 | 62.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 386 | N | 29.8 | Very low | 29.1 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | 60.6 | 147.8 | 126.9 | -71.2 | -8.8 | 0 | 0 | 0 | 122.9 | |||||
| 387 | P | 31.3 | Very low | 28.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | cis | -126.1 | 121.9 | -40.4 | 33 | -15.6 | 0 | 0 | 0 | 111.2 | T389 | P387-T389 PolarHBondContact O-N 2.82Š| ||
| 388 | R | 25.6 | Very low | 28.7 | Very low | 249 Ų | 249 | 136.7 Ų | 136.7 | 94% | 0.94 | 75% | 0.754 | S | S | * | * | trans | -85.1 | 97.9 | 169.5 | -74.7 | 179.3 | 175 | 161.4 | -1.4 | 109.5 | C390 | R388-C390 PolarHBondContact O-N 2.8Š| ||
| 389 | T | 26.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -92.6 | 82 | 159.6 | 46.2 | 0 | 0 | 0 | 0 | 109 | P387 | P387-T389 PolarHBondContact O-N 2.82Š| ||
| 390 | C | 26 | Very low | 28.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -94.7 | 112.2 | 165.6 | 169.9 | 0 | 0 | 0 | 0 | 107.4 | R388 | R388-C390 PolarHBondContact O-N 2.8Š| ||
| 391 | F | 25.3 | Very low | 28.2 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | -149.3 | 71.2 | 168.3 | -83.7 | -72 | 0 | 0 | 0 | 111.3 | ||||
| 392 | I | 27.6 | Very low | 28.3 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 48% | 0.482 | 77% | 0.768 | S | S | . | * | trans | -145.4 | 104.4 | 149.5 | -51.5 | -175.6 | 0 | 0 | 0 | 108 | F45 | F45-I392 HydrophobicContact CB-CD1 3.43Å; F45-I392 VanDerWaalsContact CB-CD1 3.43Å; F45-I392 HydrophobicContact CD1-CD1 3.54Å; F45-I392 HydrophobicContact CG-CD1 3.81Å | ||
| 393 | E | 27.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -163.5 | 146.6 | 144.2 | -106 | -174.8 | -170.7 | 0 | 0 | 107.3 | ||||
| 394 | P | 30 | Very low | 27.9 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | cis | -137.3 | 129.7 | 40.5 | 32.3 | -11.2 | 0 | 0 | 0 | 115 | ||||
| 395 | F | 27.7 | Very low | 27.9 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 51% | 0.513 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -99.8 | 65 | 159 | -122.1 | -63.7 | 0 | 0 | 0 | 108.8 | K71 | K71-F395 HydrophobicContact CD-CD1 4.38Å; K71-F395 PolarHBondContact NZ-O 3.25Å |
| 396 | K | 25.5 | Very low | 27.7 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 171.5 | 114 | 157.2 | -102.1 | 165.3 | 178.6 | -176 | 0 | 112.8 | ||||
| 397 | S | 27.5 | Very low | 27.7 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -168.5 | 107.8 | 135.1 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 398 | H | 27.8 | Very low | 27.5 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 63.3 | 115.5 | 149.1 | -56.1 | -66.9 | 0 | 0 | 0 | 121.4 | G400 | H398-G400 PolarHBondContact O-N 3.25Š| ||
| 399 | F | 27.1 | Very low | 27.7 | Very low | 221 Ų | 221 | 140.9 Ų | 140.9 | 97% | 0.969 | 73% | 0.727 | S | S | * | * | trans | -44.9 | 128.4 | 145.3 | -76.7 | -91.3 | 0 | 0 | 0 | 110.5 | ||||
| 400 | G | 26.3 | Very low | 27.6 | Very low | 58 Ų | 58 | 145.6 Ų | 145.6 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | 159.2 | 91.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | H398 R402 | H398-G400 PolarHBondContact O-N 3.25Å; G400-R402 PolarHBondContact O-N 3.15Å | ||
| 401 | W | 26.4 | Very low | 27.9 | Very low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.913 | 72% | 0.723 | S | S | * | * | 19.4 | 85.4 | 83.1 | -63.7 | 87.3 | 0 | 0 | 0 | 112.2 | |||||
| 402 | R | 28.4 | Very low | 28.1 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | trans | -137.5 | 143.3 | 140.3 | -76.3 | -158.9 | 176.8 | -173.9 | 0.1 | 110.3 | G400 | G400-R402 PolarHBondContact O-N 3.15Š| ||
| 403 | L | 28.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -86.2 | 1.3 | -160.4 | -119.5 | 97.6 | 0 | 0 | 0 | 114.7 | ||
| 404 | D | 28.9 | Very low | 28.5 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | -133.5 | 8.7 | -153.8 | -68.6 | -44.9 | 0 | 0 | 0 | 118.2 | T406 | D404-T406 PolarHBondContact O-N 3.03Š| ||
| 405 | D | 30.4 | Very low | 28.7 | Very low | 170 Ų | 170 | 138 Ų | 138 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | -95.7 | 91.5 | -178 | -70.4 | -20.9 | 0 | 0 | 0 | 112.5 | ||||
| 406 | T | 28.9 | Very low | 29.1 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -90.2 | 126.1 | 178.8 | 25.1 | 0 | 0 | 0 | 0 | 113.9 | D404 | D404-T406 PolarHBondContact O-N 3.03Š| ||
| 407 | V | 29.1 | Very low | 29.6 | Very low | 76 Ų | 76 | 142.2 Ų | 142.2 | 46% | 0.461 | 73% | 0.734 | S | S | . | * | 72.4 | 128.4 | 125.1 | -176.8 | 0 | 0 | 0 | 0 | 122.2 | T167 | T167-V407 HydrophobicContact CG2-CG1 3.79Š| |||
| 408 | C | 27 | Very low | 29.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | -172.5 | 154.9 | 113.8 | -112.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 409 | V | 29.2 | Very low | 29.8 | Very low | 50 Ų | 50 | 141 Ų | 141 | 30% | 0.303 | 73% | 0.734 | S | S | . | * | trans | -119.2 | 157.4 | -156.1 | 171.2 | 0 | 0 | 0 | 0 | 114.6 | S165 T167 I411 | S165-V409 VanDerWaalsContact CB-CG2 3.44Å; S165-V409 VanDerWaalsContact O-CG2 3.3Å; S165-V409 WeakPolarHBondContact O-CG2 3.25Å; S165-V409 WeakPolarHBondContact OG-CA 3.33Å; S165-V409 WeakPolarHBondContact OG-CB 3.42Å; S165-V409 WeakPolarHBondContact OG-CG1 3.39Å; S165-V409 WeakPolarHBondContact OG-CG2 3.5Å; T167-V409 HydrophobicContact CG2-CG2 4.23Å; T167-V409 WeakPolarHBondContact OG1-CG2 3.38Å; V409-I411 HydrophobicContact CG1-CD1 4.43Å; V409-I411 HydrophobicContact CG1-CG1 4.13Å | ||
| 410 | R | 25.9 | Very low | 30.1 | Very low | 231 Ų | 231 | 137.5 Ų | 137.5 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | -146.9 | 128.3 | 145.4 | -167.3 | 179.8 | -98.1 | -176 | -6.2 | 112.9 | ||||
| 411 | I | 32 | Very low | 30.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | trans | -129 | 142 | 169.9 | -60.1 | 172.1 | 0 | 0 | 0 | 107.8 | V409 | V409-I411 HydrophobicContact CG1-CD1 4.43Å; V409-I411 HydrophobicContact CG1-CG1 4.13Å | ||
| 412 | P | 29.7 | Very low | 31 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 53% | 0.532 | 72% | 0.715 | S | S | . | * | trans | -106.2 | 137.3 | 143.1 | -6.5 | 25.6 | 0 | 0 | 0 | 111.8 | E416 | P412-E416 VanDerWaalsContact CB-CD 3.41Å; P412-E416 HydrophobicContact CB-CG 4.4Å; P412-E416 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 413 | G | 28.6 | Very low | 31.3 | Very low | 49 Ų | 49 | 128.3 Ų | 128.3 | 51% | 0.505 | 71% | 0.707 | S | S | . | * | trans | -89.3 | -177.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A415 E416 | G413-A415 PolarHBondContact O-N 3.08Å; G413-E416 PolarHBondContact O-N 2.92Å | ||
| 414 | L | 33.5 | Very low | 31.7 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 100% | 1.005 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 11.8 | -171.2 | -117.2 | 83.9 | 0 | 0 | 0 | 117.6 | ||
| 415 | A | 34.1 | Very low | 31.9 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 4.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G413 R417 | G413-A415 PolarHBondContact O-N 3.08Å; A415-R417 PolarHBondContact O-N 3.46Å |
| 416 | E | 35.8 | Very low | 32.1 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -74.9 | 54.2 | 167.5 | -68.6 | -174.1 | 171 | 0 | 0 | 110.9 | P412 G413 | P412-E416 VanDerWaalsContact CB-CD 3.41Å; P412-E416 HydrophobicContact CB-CG 4.4Å; P412-E416 WeakPolarHBondContact CB-OE1 3.46Å; G413-E416 PolarHBondContact O-N 2.92Å | ||
| 417 | R | 36.3 | Very low | 32.3 | Very low | 220 Ų | 220 | 122.1 Ų | 122.1 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | trans | -75.5 | 147.9 | 157.1 | -79.4 | -178.7 | 170.7 | -177.5 | -2.7 | 107.7 | A415 | A415-R417 PolarHBondContact O-N 3.46Š| ||
| 418 | S | 30.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 81.1 | 132.6 | 165.8 | 73.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 419 | N | 30.3 | Very low | 32.6 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | trans | 86.2 | 68.9 | 172 | -52.5 | -21.1 | 0 | 0 | 0 | 116.8 | ||||
| 420 | I | 31.7 | Very low | 32.6 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -119.4 | 123.2 | 141.3 | -62.3 | 175.9 | 0 | 0 | 0 | 106.3 | E424 | I420-E424 WeakPolarHBondContact CG2-OE2 3.04Š| ||
| 421 | S | 37 | Very low | 32.8 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 52% | 0.517 | 71% | 0.713 | S | S | . | * | trans | -67.5 | 155.1 | -160.7 | 47 | 0 | 0 | 0 | 0 | 113.3 | E423 | S421-E423 PolarHBondContact O-N 2.89Š| ||
| 422 | S | 34.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 13.1 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 423 | E | 36.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -27.8 | -175.9 | -72.5 | -179.3 | 154.2 | 0 | 0 | 112.7 | S421 A425 S426 | S421-E423 PolarHBondContact O-N 2.89Å; E423-A425 VanDerWaalsContact C-N 3.3Å; E423-A425 PolarHBondContact O-N 3.42Å; E423-S426 PolarHBondContact O-OG 3.35Å |
| 424 | E | 35.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -83.6 | -6.9 | 176.8 | -67.4 | -177.1 | 156.2 | 0 | 0 | 113.3 | I420 S426 | I420-E424 WeakPolarHBondContact CG2-OE2 3.04Å; E424-S426 PolarHBondContact O-N 2.91Å |
| 425 | A | 33.2 | Very low | 32.8 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -80.5 | 2.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E423 | E423-A425 VanDerWaalsContact C-N 3.3Å; E423-A425 PolarHBondContact O-N 3.42Å |
| 426 | S | 34.9 | Very low | 32.6 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -95.6 | -2.1 | -167.7 | 60.5 | 0 | 0 | 0 | 0 | 115.8 | E423 E424 | E423-S426 PolarHBondContact O-OG 3.35Å; E424-S426 PolarHBondContact O-N 2.91Å |
| 427 | I | 33.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.3 | -5.2 | -179.1 | -60.8 | 173.9 | 0 | 0 | 0 | 112.3 | ||
| 428 | F | 33.8 | Very low | 31.9 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -114 | 12.3 | -172.3 | -70 | -73.1 | 0 | 0 | 0 | 115.6 | ||
| 429 | M | 28.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -135 | 103 | 179.6 | -64.6 | -148.1 | 76.8 | 0 | 0 | 111.5 | ||||
| 430 | D | 28.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -119.6 | 138 | 156.2 | -91.2 | -27.8 | 0 | 0 | 0 | 109.4 | ||||
| 431 | D | 29.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | 68.7 | 96.4 | 169.8 | -57.7 | -25.6 | 0 | 0 | 0 | 118.1 | ||||
| 432 | F | 30.4 | Very low | 31.8 | Very low | 213 Ų | 213 | 143.8 Ų | 143.8 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | -177.6 | 120 | 116.8 | -84.7 | -64.9 | 0 | 0 | 0 | 110 | |||||
| 433 | Y | 33.2 | Very low | 31.9 | Very low | 218 Ų | 218 | 146.4 Ų | 146.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -58.5 | 148.7 | -178.4 | -76.4 | -94.5 | 0 | 0 | 0 | 114.6 | V435 | Y433-V435 PolarHBondContact O-N 3.43Š| ||
| 434 | P | 28.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -87.8 | 106.4 | 166.7 | 33.3 | -25.4 | 0 | 0 | 0 | 109.3 | ||||
| 435 | V | 31.2 | Very low | 32 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -97 | 108.7 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | Y433 | Y433-V435 PolarHBondContact O-N 3.43Š| ||
| 436 | S | 30.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -63 | 125.9 | 164.3 | 27.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 437 | G | 28.9 | Very low | 33 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 129.6 | 140.8 | 164 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 438 | M | 29.4 | Very low | 34.3 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | 87.7 | 95.5 | 167.4 | -76.6 | 161.9 | 125.6 | 0 | 0 | 119 | ||||
| 439 | S | 29.4 | Very low | 36 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 63.4 | 104.9 | 126.6 | 60.6 | 0 | 0 | 0 | 0 | 119.8 | I441 | S439-I441 PolarHBondContact O-N 3.21Š| |||
| 440 | Q | 30.5 | Very low | 38.1 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | 15.6 | 101.9 | 131.3 | -73.8 | 176 | -21.1 | 0 | 0 | 116.1 | ||||
| 441 | I | 36 | Very low | 40.1 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -124.6 | 110.8 | 147.6 | -60.7 | 179.4 | 0 | 0 | 0 | 107 | S439 L443 | S439-I441 PolarHBondContact O-N 3.21Å; I441-L443 PolarHBondContact O-N 3.47Å | ||
| 442 | K | 30.2 | Very low | 42.5 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | -53.6 | 120.6 | 163.8 | -76.5 | 172.9 | 169.1 | -178.7 | 0 | 108.5 | ||||
| 443 | L | 37.3 | Very low | 45 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | trans | -107.9 | 94.6 | 152.2 | -144 | 79.9 | 0 | 0 | 0 | 107 | I441 S445 | I441-L443 PolarHBondContact O-N 3.47Å; L443-S445 PolarHBondContact O-N 3.12Å | ||
| 444 | D | 36 | Very low | 47.1 | Very low | 99 Ų | 99 | 124 Ų | 124 | 53% | 0.529 | 70% | 0.696 | S | S | . | * | trans | -62.3 | 119.8 | -176.4 | -73.3 | -43.6 | 0 | 0 | 0 | 111.6 | L446 | D444-L446 PolarHBondContact O-N 3.36Š| ||
| 445 | S | 37.9 | Very low | 49.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | S | Bend | 36.2 | 15.6 | 121.7 | 62.1 | 0 | 0 | 0 | 0 | 122.9 | L443 | L443-S445 PolarHBondContact O-N 3.12Š| |
| 446 | L | 41.1 | Very low | 51.9 | Low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | trans | -114.1 | 103.3 | 168 | -82.9 | 91.9 | 0 | 0 | 0 | 109.8 | D444 | D444-L446 PolarHBondContact O-N 3.36Š| ||
| 447 | G | 48.8 | Very low | 54.4 | Low | 41 Ų | 41 | 123.1 Ų | 123.1 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | S | Bend | trans | 167.7 | -15.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | H451 | G447-H451 VanDerWaalsContact O-CB 3.31Å; G447-H451 WeakPolarHBondContact O-CB 3.2Å; G447-H451 PolarHBondContact O-N 3.05Å |
| 448 | S | 60.2 | Low | 56.8 | Low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.7 | -39.5 | 177 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | K452 | S448-K452 WeakPolarHBondContact O-CB 3.45Å; S448-K452 PolarHBondContact O-N 3.18Å |
| 449 | E | 70.3 | Confident | 59.3 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.4 | -42.7 | -177.4 | -73.5 | -57.1 | 132.3 | 0 | 0 | 112.6 | H451 K452 V453 | E449-H451 VanDerWaalsContact C-N 3.31Å; E449-H451 PolarHBondContact O-N 2.9Å; E449-K452 PolarHBondContact O-N 3.24Å; E449-K452 VanDerWaalsContact O-N 3.17Å; E449-V453 VanDerWaalsContact O-CG2 3.32Å; E449-V453 WeakPolarHBondContact O-CG2 3.46Å; E449-V453 PolarHBondContact O-N 2.87Å |
| 450 | E | 72.2 | Confident | 62.2 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 69% | 0.692 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.5 | -41.3 | 174.7 | -81.9 | -173.6 | 152.3 | 0 | 0 | 112.1 | K452 V453 L454 | E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 2.99Å; E450-V453 PolarHBondContact O-N 3.02Å; E450-L454 WeakPolarHBondContact O-CB 3.02Å; E450-L454 WeakPolarHBondContact O-CG 3.26Å; E450-L454 PolarHBondContact O-N 3.32Å |
| 451 | H | 70 | Confident | 64.8 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 46% | 0.458 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -34.4 | 178 | -168 | -151.7 | 0 | 0 | 0 | 112.5 | G447 E449 R455 | G447-H451 VanDerWaalsContact O-CB 3.31Å; G447-H451 WeakPolarHBondContact O-CB 3.2Å; G447-H451 PolarHBondContact O-N 3.05Å; E449-H451 VanDerWaalsContact C-N 3.31Å; E449-H451 PolarHBondContact O-N 2.9Å; H451-R455 PolarHBondContact CE1-NH2 2.6Å; H451-R455 WeakPolarHBondContact O-CG 3.28Å; H451-R455 PolarHBondContact O-N 3.15Å; H451-R455 VanDerWaalsContact O-N 3.12Å |
| 452 | K | 79.1 | Confident | 66.7 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.4 | -40.6 | 175.6 | -168 | 178.5 | 178.8 | -174.1 | 0 | 111.7 | S448 E449 E450 R455 Q456 | S448-K452 WeakPolarHBondContact O-CB 3.45Å; S448-K452 PolarHBondContact O-N 3.18Å; E449-K452 PolarHBondContact O-N 3.24Å; E449-K452 VanDerWaalsContact O-N 3.17Å; E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 2.99Å; K452-R455 PolarHBondContact O-N 3.38Å; K452-Q456 WeakPolarHBondContact O-CG 3.32Å; K452-Q456 PolarHBondContact O-N 3.09Å; K452-Q456 VanDerWaalsContact O-N 3.07Å |
| 453 | V | 84.8 | Confident | 69.1 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -45.6 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | E449 E450 R455 Q456 E457 | E449-V453 VanDerWaalsContact O-CG2 3.32Å; E449-V453 WeakPolarHBondContact O-CG2 3.46Å; E449-V453 PolarHBondContact O-N 2.87Å; E450-V453 PolarHBondContact O-N 3.02Å; V453-R455 PolarHBondContact O-N 2.81Å; V453-Q456 PolarHBondContact O-N 3.12Å; V453-E457 PolarHBondContact O-N 3.48Å |
| 454 | L | 76 | Confident | 71.4 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 178.4 | -72.2 | 172 | 0 | 0 | 0 | 112.4 | E450 E457 I458 | E450-L454 WeakPolarHBondContact O-CB 3.02Å; E450-L454 WeakPolarHBondContact O-CG 3.26Å; E450-L454 PolarHBondContact O-N 3.32Å; L454-E457 PolarHBondContact O-N 3.29Å; L454-I458 WeakPolarHBondContact O-CG1 3.28Å; L454-I458 PolarHBondContact O-N 2.95Å |
| 455 | R | 76.9 | Confident | 73.5 | Confident | 144 Ų | 144 | 102 Ų | 102 | 54% | 0.543 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 174.2 | -74.3 | -173.5 | -149.8 | -106.9 | 13.9 | 112.3 | H451 K452 V453 E457 I458 D459 | H451-R455 PolarHBondContact CE1-NH2 2.6Å; H451-R455 WeakPolarHBondContact O-CG 3.28Å; H451-R455 PolarHBondContact O-N 3.15Å; H451-R455 VanDerWaalsContact O-N 3.12Å; K452-R455 PolarHBondContact O-N 3.38Å; V453-R455 PolarHBondContact O-N 2.81Å; R455-E457 VanDerWaalsContact C-N 3.31Å; R455-E457 PolarHBondContact O-N 2.85Å; R455-I458 PolarHBondContact O-N 3.45Å; R455-D459 PolarHBondContact O-N 2.98Å |
| 456 | Q | 84.8 | Confident | 75.5 | Confident | 123 Ų | 123 | 104.5 Ų | 104.5 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 176.3 | -76.2 | -179 | -11.8 | 0 | 0 | 112.1 | K452 V453 D459 R460 | K452-Q456 WeakPolarHBondContact O-CG 3.32Å; K452-Q456 PolarHBondContact O-N 3.09Å; K452-Q456 VanDerWaalsContact O-N 3.07Å; V453-Q456 PolarHBondContact O-N 3.12Å; Q456-D459 PolarHBondContact O-N 3.32Å; Q456-R460 WeakPolarHBondContact O-CB 3.17Å; Q456-R460 PolarHBondContact O-N 3.4Å |
| 457 | E | 83.1 | Confident | 77.6 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 176.8 | -164.3 | 59.9 | -157.1 | 0 | 0 | 111.9 | V453 L454 R455 R460 V461 | V453-E457 PolarHBondContact O-N 3.48Å; L454-E457 PolarHBondContact O-N 3.29Å; R455-E457 VanDerWaalsContact C-N 3.31Å; R455-E457 PolarHBondContact O-N 2.85Å; E457-R460 WeakPolarHBondContact O-CB 3.32Å; E457-R460 PolarHBondContact O-N 3.3Å; E457-R460 IonicContact OE1-CZ 3.34Å; E457-R460 IonicContact OE1-NE 2.87Å; E457-R460 PolarHBondContact OE1-NE 2.87Å; E457-R460 IonicContact OE1-NH2 2.7Å; E457-R460 PolarHBondContact OE1-NH2 2.98Å; E457-R460 IonicContact OE2-NE 3.48Å; E457-R460 PolarHBondContact OE2-NE 2.81Å; E457-V461 WeakPolarHBondContact O-CG2 3.1Å; E457-V461 PolarHBondContact O-N 3.05Å |
| 458 | I | 78.9 | Confident | 79.1 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -47.1 | 172.4 | -71.1 | 167.3 | 0 | 0 | 0 | 110.7 | L454 R455 R460 V461 A462 | L454-I458 WeakPolarHBondContact O-CG1 3.28Å; L454-I458 PolarHBondContact O-N 2.95Å; R455-I458 PolarHBondContact O-N 3.45Å; I458-R460 VanDerWaalsContact C-N 3.31Å; I458-R460 PolarHBondContact O-N 2.83Å; I458-V461 PolarHBondContact O-N 3.49Å; I458-A462 WeakPolarHBondContact O-CB 3.04Å; I458-A462 PolarHBondContact O-N 3.45Å |
| 459 | D | 82.2 | Confident | 79.8 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 178.4 | -74 | -27.9 | 0 | 0 | 0 | 111.8 | R455 Q456 A462 A463 | R455-D459 PolarHBondContact O-N 2.98Å; Q456-D459 PolarHBondContact O-N 3.32Å; D459-A462 PolarHBondContact O-N 2.87Å; D459-A463 WeakPolarHBondContact O-CB 3.3Å; D459-A463 PolarHBondContact O-N 3.29Å |
| 460 | R | 90.9 | Very high | 80.4 | Confident | 166 Ų | 166 | 102.1 Ų | 102.1 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 175.7 | -165 | -176.4 | 88.2 | 105.8 | 0.8 | 111.9 | Q456 E457 I458 A463 S464 | Q456-R460 WeakPolarHBondContact O-CB 3.17Å; Q456-R460 PolarHBondContact O-N 3.4Å; E457-R460 WeakPolarHBondContact O-CB 3.32Å; E457-R460 PolarHBondContact O-N 3.3Å; E457-R460 IonicContact OE1-CZ 3.34Å; E457-R460 IonicContact OE1-NE 2.87Å; E457-R460 PolarHBondContact OE1-NE 2.87Å; E457-R460 IonicContact OE1-NH2 2.7Å; E457-R460 PolarHBondContact OE1-NH2 2.98Å; E457-R460 IonicContact OE2-NE 3.48Å; E457-R460 PolarHBondContact OE2-NE 2.81Å; I458-R460 VanDerWaalsContact C-N 3.31Å; I458-R460 PolarHBondContact O-N 2.83Å; R460-A463 PolarHBondContact O-N 3.28Å; R460-S464 PolarHBondContact O-N 2.99Å |
| 461 | V | 83.4 | Confident | 80.9 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | E457 I458 A463 S464 N465 | E457-V461 WeakPolarHBondContact O-CG2 3.1Å; E457-V461 PolarHBondContact O-N 3.05Å; I458-V461 PolarHBondContact O-N 3.49Å; V461-A463 VanDerWaalsContact C-N 3.33Å; V461-A463 PolarHBondContact O-N 2.95Å; V461-S464 PolarHBondContact O-N 3.44Å; V461-N465 WeakPolarHBondContact O-CB 3.49Å; V461-N465 VanDerWaalsContact O-CG 3.28Å; V461-N465 PolarHBondContact O-N 3.45Å |
| 462 | A | 75.9 | Confident | 81.1 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I458 D459 R466 | I458-A462 WeakPolarHBondContact O-CB 3.04Å; I458-A462 PolarHBondContact O-N 3.45Å; D459-A462 PolarHBondContact O-N 2.87Å; A462-R466 WeakPolarHBondContact O-CG 3.32Å; A462-R466 PolarHBondContact O-N 2.96Å; A462-R466 PolarHBondContact O-NE 2.96Å |
| 463 | A | 81.8 | Confident | 81 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D459 R460 V461 R466 E467 | D459-A463 WeakPolarHBondContact O-CB 3.3Å; D459-A463 PolarHBondContact O-N 3.29Å; R460-A463 PolarHBondContact O-N 3.28Å; V461-A463 VanDerWaalsContact C-N 3.33Å; V461-A463 PolarHBondContact O-N 2.95Å; A463-R466 PolarHBondContact O-N 3.41Å; A463-E467 PolarHBondContact O-N 3.26Å; A463-E467 VanDerWaalsContact O-N 3.15Å |
| 464 | S | 86 | Confident | 80.7 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 112 | R460 V461 R466 E467 L468 | R460-S464 PolarHBondContact O-N 2.99Å; V461-S464 PolarHBondContact O-N 3.44Å; S464-R466 VanDerWaalsContact C-N 3.33Å; S464-R466 PolarHBondContact O-N 3Å; S464-E467 PolarHBondContact O-N 3.41Å; S464-L468 WeakPolarHBondContact O-CG 3.02Å; S464-L468 PolarHBondContact O-N 3.2Å |
| 465 | N | 78.5 | Confident | 80.7 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 178.5 | -72.1 | -9.2 | 0 | 0 | 0 | 112.1 | V461 L468 L469 | V461-N465 WeakPolarHBondContact O-CB 3.49Å; V461-N465 VanDerWaalsContact O-CG 3.28Å; V461-N465 PolarHBondContact O-N 3.45Å; N465-L468 PolarHBondContact O-N 3.23Å; N465-L469 WeakPolarHBondContact O-CB 3.27Å; N465-L469 PolarHBondContact O-N 3.38Å |
| 466 | R | 81.1 | Confident | 80.5 | Confident | 168 Ų | 168 | 99.7 Ų | 99.7 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 174.5 | -81.5 | -177.2 | -86 | -141.7 | 1.1 | 112.4 | A462 A463 S464 R470 | A462-R466 WeakPolarHBondContact O-CG 3.32Å; A462-R466 PolarHBondContact O-N 2.96Å; A462-R466 PolarHBondContact O-NE 2.96Å; A463-R466 PolarHBondContact O-N 3.41Å; S464-R466 VanDerWaalsContact C-N 3.33Å; S464-R466 PolarHBondContact O-N 3Å; R466-R470 WeakPolarHBondContact O-CB 3.25Å; R466-R470 PolarHBondContact O-N 3.14Å |
| 467 | E | 83.7 | Confident | 79.8 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 177.4 | 177.6 | 56.7 | -161.9 | 0 | 0 | 112.2 | A463 S464 R470 R471 | A463-E467 PolarHBondContact O-N 3.26Å; A463-E467 VanDerWaalsContact O-N 3.15Å; S464-E467 PolarHBondContact O-N 3.41Å; E467-R470 WeakPolarHBondContact O-CB 3.12Å; E467-R470 PolarHBondContact O-N 3.29Å; E467-R470 IonicContact OE1-CZ 3.85Å; E467-R470 IonicContact OE1-NE 3.77Å; E467-R470 IonicContact OE1-NH2 3.7Å; E467-R470 PolarHBondContact OE1-NH2 3.07Å; E467-R470 IonicContact OE2-CZ 2.76Å; E467-R470 IonicContact OE2-NE 2.68Å; E467-R470 PolarHBondContact OE2-NE 3.23Å; E467-R470 IonicContact OE2-NH2 3.58Å; E467-R470 PolarHBondContact OE2-NH2 2.9Å; E467-R471 WeakPolarHBondContact O-CG 3.3Å; E467-R471 PolarHBondContact O-N 3.46Å; E467-R471 IonicContact OE1-CZ 3.74Å; E467-R471 IonicContact OE1-NE 3.22Å; E467-R471 PolarHBondContact OE1-NE 3.29Å; E467-R471 IonicContact OE1-NH2 3.93Å |
| 468 | L | 81.6 | Confident | 79.1 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.9 | -72.6 | 173.1 | 0 | 0 | 0 | 111.7 | S464 N465 R470 R471 L472 | S464-L468 WeakPolarHBondContact O-CG 3.02Å; S464-L468 PolarHBondContact O-N 3.2Å; N465-L468 PolarHBondContact O-N 3.23Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.23Å; L468-R471 PolarHBondContact O-N 3.35Å; L468-L472 PolarHBondContact O-N 2.92Å |
| 469 | L | 74.6 | Confident | 78.3 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.3 | -166 | 79.1 | 0 | 0 | 0 | 111.1 | I189 N465 R471 L472 V473 | I189-L469 HydrophobicContact CD1-CD1 4.5Å; I189-L469 HydrophobicContact CG2-CD1 4.27Å; N465-L469 WeakPolarHBondContact O-CB 3.27Å; N465-L469 PolarHBondContact O-N 3.38Å; L469-R471 VanDerWaalsContact C-N 3.31Å; L469-R471 PolarHBondContact O-N 2.5Å; L469-L472 PolarHBondContact O-N 3.45Å; L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3.12Å |
| 470 | R | 82.9 | Confident | 76.8 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 175.6 | -167.1 | -172.3 | 73.1 | 88.5 | 5.1 | 112 | R466 E467 L468 N474 | R466-R470 WeakPolarHBondContact O-CB 3.25Å; R466-R470 PolarHBondContact O-N 3.14Å; E467-R470 WeakPolarHBondContact O-CB 3.12Å; E467-R470 PolarHBondContact O-N 3.29Å; E467-R470 IonicContact OE1-CZ 3.85Å; E467-R470 IonicContact OE1-NE 3.77Å; E467-R470 IonicContact OE1-NH2 3.7Å; E467-R470 PolarHBondContact OE1-NH2 3.07Å; E467-R470 IonicContact OE2-CZ 2.76Å; E467-R470 IonicContact OE2-NE 2.68Å; E467-R470 PolarHBondContact OE2-NE 3.23Å; E467-R470 IonicContact OE2-NH2 3.58Å; E467-R470 PolarHBondContact OE2-NH2 2.9Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.23Å; R470-N474 WeakPolarHBondContact O-CB 3.34Å; R470-N474 VanDerWaalsContact O-CG 3.3Å; R470-N474 PolarHBondContact O-N 2.92Å; R470-N474 PolarHBondContact O-ND2 3.03Å |
| 471 | R | 83.6 | Confident | 74.7 | Confident | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 176.5 | -72.7 | 178.7 | -176 | -163.7 | 0.2 | 112.2 | E467 L468 L469 N474 F475 | E467-R471 WeakPolarHBondContact O-CG 3.3Å; E467-R471 PolarHBondContact O-N 3.46Å; E467-R471 IonicContact OE1-CZ 3.74Å; E467-R471 IonicContact OE1-NE 3.22Å; E467-R471 PolarHBondContact OE1-NE 3.29Å; E467-R471 IonicContact OE1-NH2 3.93Å; L468-R471 PolarHBondContact O-N 3.35Å; L469-R471 VanDerWaalsContact C-N 3.31Å; L469-R471 PolarHBondContact O-N 2.5Å; R471-N474 PolarHBondContact O-N 3.29Å; R471-F475 WeakPolarHBondContact O-CB 3.45Å; R471-F475 PolarHBondContact O-N 3.17Å |
| 472 | L | 74.3 | Confident | 74.3 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.1 | -176.4 | 67.3 | 0 | 0 | 0 | 111 | L468 L469 N474 F475 E476 | L468-L472 PolarHBondContact O-N 2.92Å; L469-L472 PolarHBondContact O-N 3.45Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 2.73Å; L472-F475 WeakPolarHBondContact O-CB 3.45Å; L472-F475 PolarHBondContact O-N 3.39Å; L472-F475 VanDerWaalsContact O-N 3.08Å; L472-E476 WeakPolarHBondContact O-CG 3.32Å; L472-E476 PolarHBondContact O-N 3.38Å |
| 473 | V | 75.3 | Confident | 74.2 | Confident | 72 Ų | 72 | 107.9 Ų | 107.9 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.6 | 172 | 0 | 0 | 0 | 0 | 111.4 | L469 F475 E476 L477 | L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3.12Å; V473-F475 VanDerWaalsContact C-N 3.31Å; V473-F475 PolarHBondContact O-N 3.17Å; V473-E476 PolarHBondContact O-N 3.24Å; V473-L477 HydrophobicContact CG1-CD1 3.86Å; V473-L477 HydrophobicContact CG1-CG 4.41Å; V473-L477 WeakPolarHBondContact O-CB 3.31Å; V473-L477 VanDerWaalsContact O-CG 3.25Å; V473-L477 WeakPolarHBondContact O-CG 3.25Å; V473-L477 PolarHBondContact O-N 3.38Å |
| 474 | N | 78.5 | Confident | 73.8 | Confident | 66 Ų | 66 | 110.9 Ų | 110.9 | 35% | 0.353 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -31.6 | 176.3 | -76.5 | -40.6 | 0 | 0 | 0 | 113.3 | R470 R471 L472 R478 | R470-N474 WeakPolarHBondContact O-CB 3.34Å; R470-N474 VanDerWaalsContact O-CG 3.3Å; R470-N474 PolarHBondContact O-N 2.92Å; R470-N474 PolarHBondContact O-ND2 3.03Å; R471-N474 PolarHBondContact O-N 3.29Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 2.73Å; N474-R478 VanDerWaalsContact O-CG 3.3Å; N474-R478 WeakPolarHBondContact O-CG 3.5Å; N474-R478 PolarHBondContact O-N 3.39Å |
| 475 | F | 76.7 | Confident | 73.1 | Confident | 143 Ų | 143 | 113.6 Ų | 113.6 | 63% | 0.627 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.5 | -46 | 176.1 | -174.9 | -95.5 | 0 | 0 | 0 | 110.9 | R471 L472 V473 L477 R478 S479 | R471-F475 WeakPolarHBondContact O-CB 3.45Å; R471-F475 PolarHBondContact O-N 3.17Å; L472-F475 WeakPolarHBondContact O-CB 3.45Å; L472-F475 PolarHBondContact O-N 3.39Å; L472-F475 VanDerWaalsContact O-N 3.08Å; V473-F475 VanDerWaalsContact C-N 3.31Å; V473-F475 PolarHBondContact O-N 3.17Å; F475-L477 VanDerWaalsContact C-N 3.34Å; F475-L477 PolarHBondContact O-N 2.77Å; F475-R478 PolarHBondContact O-N 2.76Å; F475-R478 VanDerWaalsContact O-N 3.08Å; F475-S479 PolarHBondContact O-N 2.83Å; F475-S479 PolarHBondContact O-OG 2.74Å |
| 476 | E | 72.1 | Confident | 72.7 | Confident | 112 Ų | 112 | 114.8 Ų | 114.8 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -34.3 | 177.3 | -68.6 | -66.8 | 173.1 | 0 | 0 | 113.1 | L472 V473 R478 S479 S480 | L472-E476 WeakPolarHBondContact O-CG 3.32Å; L472-E476 PolarHBondContact O-N 3.38Å; V473-E476 PolarHBondContact O-N 3.24Å; E476-R478 VanDerWaalsContact C-N 3.28Å; E476-R478 PolarHBondContact O-N 3.48Å; E476-S479 VanDerWaalsContact CA-OG 3.32Å; E476-S479 WeakPolarHBondContact CA-OG 3.44Å; E476-S479 PolarHBondContact O-OG 3.47Å; E476-S480 PolarHBondContact O-N 3.33Å; E476-S480 PolarHBondContact O-OG 3.48Å |
| 477 | L | 70.1 | Confident | 72.2 | Confident | 107 Ų | 107 | 111.2 Ų | 111.2 | 56% | 0.56 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.5 | -23.4 | 173.4 | -72.5 | 170.5 | 0 | 0 | 0 | 113 | V473 F475 S480 | V473-L477 HydrophobicContact CG1-CD1 3.86Å; V473-L477 HydrophobicContact CG1-CG 4.41Å; V473-L477 WeakPolarHBondContact O-CB 3.31Å; V473-L477 VanDerWaalsContact O-CG 3.25Å; V473-L477 WeakPolarHBondContact O-CG 3.25Å; V473-L477 PolarHBondContact O-N 3.38Å; F475-L477 VanDerWaalsContact C-N 3.34Å; F475-L477 PolarHBondContact O-N 2.77Å; L477-S480 WeakPolarHBondContact CA-OG 3.46Å; L477-S480 PolarHBondContact O-OG 3.43Å |
| 478 | R | 69.2 | Low | 71.3 | Confident | 203 Ų | 203 | 114.5 Ų | 114.5 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -88 | -26.1 | 176.5 | -75.5 | 177.3 | -176.7 | -163.7 | 0.9 | 113.1 | N474 F475 E476 S480 | N474-R478 VanDerWaalsContact O-CG 3.3Å; N474-R478 WeakPolarHBondContact O-CG 3.5Å; N474-R478 PolarHBondContact O-N 3.39Å; F475-R478 PolarHBondContact O-N 2.76Å; F475-R478 VanDerWaalsContact O-N 3.08Å; E476-R478 VanDerWaalsContact C-N 3.28Å; E476-R478 PolarHBondContact O-N 3.48Å; R478-S480 VanDerWaalsContact C-N 3.3Å |
| 479 | S | 61.5 | Low | 70.6 | Confident | 72 Ų | 72 | 115.6 Ų | 115.6 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -80.9 | -10.6 | 175.6 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | F475 E476 | F475-S479 PolarHBondContact O-N 2.83Å; F475-S479 PolarHBondContact O-OG 2.74Å; E476-S479 VanDerWaalsContact CA-OG 3.32Å; E476-S479 WeakPolarHBondContact CA-OG 3.44Å; E476-S479 PolarHBondContact O-OG 3.47Å |
| 480 | S | 50.6 | Low | 70.2 | Confident | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 8.3 | 179.9 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | E476 L477 R478 | E476-S480 PolarHBondContact O-N 3.33Å; E476-S480 PolarHBondContact O-OG 3.48Å; L477-S480 WeakPolarHBondContact CA-OG 3.46Å; L477-S480 PolarHBondContact O-OG 3.43Å; R478-S480 VanDerWaalsContact C-N 3.3Å |
| 481 | V | 47.8 | Very low | 69.1 | Low | 180 Ų | 180 | 118 Ų | 118 | 100% | 1.091 | 60% | 0.599 | S | S | * | * | trans | -115.5 | 0 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 108 |
Retrieved 481 of 481 residues in 111.4 ms
(Link to these results)