| 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 | 54.4 | Low | 51 | Low | 45 Ų | 45 | 60.3 Ų | 60.3 | 22% | 0.222 | 31% | 0.306 | C | S | . | . | 0 | 129.7 | 0 | 167.6 | 172.9 | 158.7 | 0 | 0 | 107.3 | A3 A66 T67 V101 L107 K109 | M1-A3 HydrophobicContact CE-CB 3.68Å; M1-A3 HydrophobicContact CG-CB 4.48Å; M1-A66 CarbonylContact O-C 3.5Å; M1-A66 WeakPolarHBondContact O-CA 3.36Å; M1-T67 WeakPolarHBondContact CA-O 3.34Å; M1-T67 WeakPolarHBondContact CB-O 3.36Å; M1-T67 PolarHBondContact N-O 3.4Å; M1-T67 PolarHBondContact O-N 2.8Å; M1-T67 VanDerWaalsContact O-O 3.12Å; M1-V101 HydrophobicContact CE-CG1 3.9Å; M1-V101 HydrophobicContact SD-CG1 4.29Å; M1-V101 HydrophobicContact SD-CG2 4.24Å; M1-L107 HydrophobicContact CE-CD1 3.84Å; M1-L107 HydrophobicContact CG-CD1 3.69Å; M1-L107 HydrophobicContact SD-CD1 3.93Å; M1-K109 CarbonylContact C-O 3.54Å; M1-K109 WeakPolarHBondContact CA-O 3.36Å | |||
| 2 | E | 60.8 | Low | 50.9 | Low | 82 Ų | 82 | 55.7 Ų | 55.7 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.6 | 174.3 | -67.8 | 142.8 | -140.8 | 0 | 0 | 106.7 | Y108 K109 | E2-Y108 PolarHBondContact O-N 2.81Å; E2-K109 HydrophobicContact CB-CB 3.98Å; E2-K109 HydrophobicContact CG-CB 4.43Å; E2-K109 PolarHBondContact N-O 2.95Å; E2-K109 PolarHBondContact O-N 2.97Å; E2-K109 WeakPolarHBondContact OE1-CD 3.29Å; E2-K109 WeakPolarHBondContact OE2-CB 3.41Å; E2-K109 WeakPolarHBondContact OE2-CD 3.44Å |
| 3 | A | 61.6 | Low | 51.3 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 M64 F65 F105 N106 | M1-A3 HydrophobicContact CE-CB 3.68Å; M1-A3 HydrophobicContact CG-CB 4.48Å; A3-M64 CarbonylContact O-C 3.43Å; A3-M64 VanDerWaalsContact O-CA 3.3Å; A3-M64 WeakPolarHBondContact O-CA 3.39Å; A3-F65 HydrophobicContact CB-CE1 4.23Å; A3-F65 HydrophobicContact CB-CE2 4.33Å; A3-F65 HydrophobicContact CB-CZ 3.95Å; A3-F65 PolarHBondContact N-O 2.84Å; A3-F65 WeakPolarHBondContact O-CD1 3.37Å; A3-F65 PolarHBondContact O-N 3.24Å; A3-F105 HydrophobicContact CB-CB 4.35Å; A3-N106 CarbonylContact C-O 2.74Å; A3-N106 VanDerWaalsContact CA-O 3.23Å; A3-N106 WeakPolarHBondContact CA-O 3.28Å |
| 4 | A | 58.7 | Low | 52 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A6 R63 M64 F105 N106 Y108 | A4-A6 PolarHBondContact O-N 2.89Å; A4-R63 WeakPolarHBondContact CA-O 3.44Å; A4-R63 VanDerWaalsContact CB-O 3.31Å; A4-R63 WeakPolarHBondContact CB-O 3.4Å; A4-M64 HydrophobicContact CB-CG 4.19Å; A4-F105 WeakPolarHBondContact O-CA 3.29Å; A4-N106 PolarHBondContact N-O 2.78Å; A4-N106 PolarHBondContact O-N 3.14Å; A4-Y108 HydrophobicContact CB-CE2 3.69Å |
| 5 | L | 53.1 | Low | 53 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 129.9 | 171.1 | -59.3 | -179.9 | 0 | 0 | 0 | 109.4 | F9 Y31 A59 G62 F65 F105 | L5-F9 HydrophobicContact CB-CD2 4.31Å; L5-F9 HydrophobicContact CD2-CD2 3.87Å; L5-F9 HydrophobicContact CD2-CE1 4.34Å; L5-F9 HydrophobicContact CD2-CE2 3.61Å; L5-F9 HydrophobicContact CD2-CG 4.36Å; L5-F9 HydrophobicContact CD2-CZ 3.88Å; L5-Y31 HydrophobicContact CD1-CD2 4.29Å; L5-Y31 HydrophobicContact CD1-CE2 4.42Å; L5-Y31 HydrophobicContact CD1-CG 4.49Å; L5-Y31 HydrophobicContact CD2-CE2 4.48Å; L5-A59 HydrophobicContact CD1-CB 3.58Å; L5-A59 HydrophobicContact CG-CB 4.36Å; L5-G62 PolarHBondContact O-N 2.94Å; L5-G62 VanDerWaalsContact O-N 3.07Å; L5-F65 HydrophobicContact CD2-CE1 3.75Å; L5-F65 HydrophobicContact CD2-CZ 4.2Å; L5-F65 HydrophobicContact CG-CE1 3.92Å; L5-F105 HydrophobicContact CD2-CD1 4.15Å; L5-F105 HydrophobicContact CD2-CE1 3.88Å |
| 6 | A | 51.3 | Low | 53.8 | Low | 17 Ų | 17 | 53.1 Ų | 53.1 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -68.1 | 155.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A4 S8 D104 | A4-A6 PolarHBondContact O-N 2.89Å; A6-S8 VanDerWaalsContact C-N 3.27Å; A6-S8 PolarHBondContact O-N 2.86Å; A6-D104 HydrophobicContact CB-CB 4.22Å; A6-D104 VanDerWaalsContact CB-O 3.28Å; A6-D104 WeakPolarHBondContact CB-O 3.44Å; A6-D104 PolarHBondContact N-O 2.97Å | ||
| 7 | R | 46 | Very low | 54.2 | Low | 214 Ų | 214 | 51.9 Ų | 51.9 | 81% | 0.808 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -63.7 | -29.7 | -176.4 | -72.3 | 179.6 | 173.1 | 177.3 | -3.4 | 113.8 | F9 P61 | R7-F9 PolarHBondContact O-N 2.86Å; R7-P61 HydrophobicContact CG-CB 3.86Å |
| 8 | S | 46.2 | Very low | 54.4 | Low | 89 Ų | 89 | 51.6 Ų | 51.6 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -94.9 | 63.8 | -178.4 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | A6 | A6-S8 VanDerWaalsContact C-N 3.27Å; A6-S8 PolarHBondContact O-N 2.86Å |
| 9 | F | 40.4 | Very low | 54.2 | Low | 43 Ų | 43 | 49.7 Ų | 49.7 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | trans | -97.4 | 130.7 | -168.2 | -156.5 | -91.8 | 0 | 0 | 0 | 114.1 | L5 R7 A11 T12 D104 F105 | L5-F9 HydrophobicContact CB-CD2 4.31Å; L5-F9 HydrophobicContact CD2-CD2 3.87Å; L5-F9 HydrophobicContact CD2-CE1 4.34Å; L5-F9 HydrophobicContact CD2-CE2 3.61Å; L5-F9 HydrophobicContact CD2-CG 4.36Å; L5-F9 HydrophobicContact CD2-CZ 3.88Å; R7-F9 PolarHBondContact O-N 2.86Å; F9-A11 WeakPolarHBondContact CZ-O 3.37Å; F9-T12 WeakPolarHBondContact CZ-OG1 3.45Å; F9-D104 HydrophobicContact CD2-CB 3.77Å; F9-D104 WeakPolarHBondContact CD2-O 3.49Å; F9-D104 HydrophobicContact CE2-CB 3.99Å; F9-D104 WeakPolarHBondContact CE2-O 3.05Å; F9-F105 HydrophobicContact CE2-CD1 4.08Å; F9-F105 AromaticContact CE2-CE1 3.53Å; F9-F105 HydrophobicContact CE2-CE1 3.53Å; F9-F105 AromaticContact CE2-CZ 3.93Å; F9-F105 HydrophobicContact CE2-CZ 3.93Å; F9-F105 AromaticContact CZ-CE1 3.64Å; F9-F105 HydrophobicContact CZ-CE1 3.64Å; F9-F105 AromaticContact CZ-CZ 3.78Å; F9-F105 HydrophobicContact CZ-CZ 3.78Å | ||
| 10 | N | 46 | Very low | 54 | Low | 137 Ų | 137 | 53.2 Ų | 53.2 | 73% | 0.733 | 27% | 0.271 | S | S | * | . | trans | -123.9 | -36.7 | 174 | -89.5 | -54.9 | 0 | 0 | 0 | 115.3 | ||||
| 11 | A | 42.2 | Very low | 53.7 | Low | 25 Ų | 25 | 59.1 Ų | 59.1 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | trans | -161.4 | 151.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F9 Y13 | F9-A11 WeakPolarHBondContact CZ-O 3.37Å; A11-Y13 HydrophobicContact CB-CD2 4.43Å; A11-Y13 HydrophobicContact CB-CE2 3.6Å | ||
| 12 | T | 50.1 | Low | 53.5 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.5 | 169.5 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | F9 T28 G29 W36 F105 | F9-T12 WeakPolarHBondContact CZ-OG1 3.45Å; T12-T28 VanDerWaalsContact O-CA 3.25Å; T12-T28 WeakPolarHBondContact O-CA 3.38Å; T12-G29 PolarHBondContact N-O 2.89Å; T12-G29 PolarHBondContact O-N 2.64Å; T12-W36 HydrophobicContact CG2-CH2 4.29Å; T12-W36 HydrophobicContact CG2-CZ3 3.94Å; T12-F105 HydrophobicContact CG2-CE1 4.49Å; T12-F105 HydrophobicContact CG2-CE2 4.31Å; T12-F105 HydrophobicContact CG2-CZ 3.62Å; T12-F105 WeakPolarHBondContact OG1-CZ 3.48Å |
| 13 | Y | 56.2 | Low | 52.9 | Low | 104 Ų | 104 | 59.5 Ų | 59.5 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.3 | 164.3 | -56.1 | -95.1 | 0 | 0 | 0 | 110.8 | A11 I27 T28 N102 | A11-Y13 HydrophobicContact CB-CD2 4.43Å; A11-Y13 HydrophobicContact CB-CE2 3.6Å; Y13-I27 CarbonylContact C-O 3.04Å; Y13-T28 HydrophobicContact CD1-CG2 3.47Å; Y13-T28 VanDerWaalsContact CD1-CG2 3.47Å; Y13-T28 HydrophobicContact CE1-CG2 3.79Å; Y13-T28 HydrophobicContact CG-CG2 4.41Å; Y13-N102 PolarHBondContact N-O 3.37Å; Y13-N102 PolarHBondContact O-N 2.9Å; Y13-N102 VanDerWaalsContact O-O 3.05Å |
| 14 | L | 60.9 | Low | 52.7 | Low | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 97.6 | 179.9 | -124.1 | 162.1 | 0 | 0 | 0 | 108.3 | F16 C26 I27 V101 | L14-F16 HydrophobicContact CB-CE2 4.48Å; L14-F16 HydrophobicContact CD2-CE2 3.83Å; L14-F16 HydrophobicContact CD2-CZ 3.7Å; L14-C26 CarbonylContact O-C 3.58Å; L14-C26 WeakPolarHBondContact O-CA 3.22Å; L14-I27 HydrophobicContact CB-CB 4.15Å; L14-I27 PolarHBondContact N-O 3.25Å; L14-I27 PolarHBondContact O-N 3.21Å; L14-V101 HydrophobicContact CD2-CG2 3.94Å; L14-V101 HydrophobicContact CG-CG2 4.25Å |
| 15 | E | 67.3 | Low | 52.7 | Low | 41 Ų | 41 | 59.6 Ų | 59.6 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134 | -169 | -67.2 | 173.5 | 159.5 | 0 | 0 | 111.2 | Y17 C26 A99 V100 | E15-Y17 HydrophobicContact CB-CD2 4.32Å; E15-Y17 HydrophobicContact CB-CE2 3.63Å; E15-Y17 PolarHBondContact OE2-OH 3.36Å; E15-C26 HydrophobicContact CG-CB 3.94Å; E15-C26 VanDerWaalsContact CG-SG 3.52Å; E15-A99 CarbonylContact O-C 2.94Å; E15-A99 VanDerWaalsContact O-CA 3.31Å; E15-A99 WeakPolarHBondContact O-CA 3.36Å; E15-V100 HydrophobicContact CB-CB 4.32Å; E15-V100 PolarHBondContact N-O 3.28Å; E15-V100 PolarHBondContact O-N 3.12Å |
| 16 | F | 65.8 | Low | 53 | Low | 19 Ų | 19 | 59.6 Ų | 59.6 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.4 | -179.9 | -63.6 | -93 | 0 | 0 | 0 | 109.5 | L14 A24 F25 I27 V69 I96 A99 | L14-F16 HydrophobicContact CB-CE2 4.48Å; L14-F16 HydrophobicContact CD2-CE2 3.83Å; L14-F16 HydrophobicContact CD2-CZ 3.7Å; F16-A24 WeakPolarHBondContact O-CA 3.39Å; F16-A24 WeakPolarHBondContact O-CB 3.31Å; F16-A24 PolarHBondContact O-N 3.43Å; F16-F25 HydrophobicContact CB-CD1 4.34Å; F16-F25 HydrophobicContact CB-CD2 4.49Å; F16-F25 HydrophobicContact CB-CE1 4.05Å; F16-F25 HydrophobicContact CB-CE2 4.21Å; F16-F25 HydrophobicContact CB-CZ 3.97Å; F16-F25 HydrophobicContact CD1-CZ 4.4Å; F16-F25 AromaticContact CD2-CD2 3.78Å; F16-F25 HydrophobicContact CD2-CD2 3.78Å; F16-F25 AromaticContact CD2-CE2 3.23Å; F16-F25 HydrophobicContact CD2-CE2 3.23Å; F16-F25 AromaticContact CD2-CZ 3.67Å; F16-F25 HydrophobicContact CD2-CZ 3.67Å; F16-F25 HydrophobicContact CE2-CD2 4.47Å; F16-F25 AromaticContact CE2-CE2 3.69Å; F16-F25 HydrophobicContact CE2-CE2 3.69Å; F16-F25 HydrophobicContact CE2-CZ 4.24Å; F16-F25 HydrophobicContact CG-CD2 4.44Å; F16-F25 HydrophobicContact CG-CE1 4.34Å; F16-F25 AromaticContact CG-CE2 3.82Å; F16-F25 HydrophobicContact CG-CE2 3.82Å; F16-F25 AromaticContact CG-CZ 3.75Å; F16-F25 HydrophobicContact CG-CZ 3.75Å; F16-F25 PolarHBondContact N-O 2.66Å; F16-F25 PolarHBondContact O-N 3.47Å; F16-I27 HydrophobicContact CE2-CD1 4.16Å; F16-I27 HydrophobicContact CE2-CG1 4.47Å; F16-V69 HydrophobicContact CE1-CG1 4.4Å; F16-V69 HydrophobicContact CZ-CB 4.13Å; F16-V69 HydrophobicContact CZ-CG1 3.96Å; F16-V69 HydrophobicContact CZ-CG2 4.07Å; F16-I96 HydrophobicContact CB-CD1 4.3Å; F16-I96 HydrophobicContact CB-CG2 4.15Å; F16-I96 HydrophobicContact CD1-CD1 4.49Å; F16-I96 HydrophobicContact CD1-CG2 4.2Å; F16-A99 HydrophobicContact CD1-CB 3.86Å; F16-A99 HydrophobicContact CE1-CB 3.86Å |
| 17 | Y | 59.8 | Low | 53.5 | Low | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.2 | -170.6 | -68.4 | -110.8 | 0 | 0 | 0 | 112.2 | E15 G19 D22 I23 I96 T97 M98 V100 | E15-Y17 HydrophobicContact CB-CD2 4.32Å; E15-Y17 HydrophobicContact CB-CE2 3.63Å; E15-Y17 PolarHBondContact OE2-OH 3.36Å; Y17-G19 WeakPolarHBondContact CB-O 3.41Å; Y17-D22 CarbonylContact C-O 3.51Å; Y17-D22 VanDerWaalsContact CA-O 3.3Å; Y17-D22 WeakPolarHBondContact CA-O 2.96Å; Y17-I23 HydrophobicContact CD1-CG1 3.76Å; Y17-I23 HydrophobicContact CE1-CD1 4.14Å; Y17-I23 HydrophobicContact CE1-CG1 3.35Å; Y17-I23 HydrophobicContact CE2-CG1 4.27Å; Y17-I23 HydrophobicContact CG-CG1 4.38Å; Y17-I96 CarbonylContact O-C 3.54Å; Y17-I96 WeakPolarHBondContact O-CA 3.18Å; Y17-I96 WeakPolarHBondContact O-CG2 3.47Å; Y17-T97 PolarHBondContact O-N 2.84Å; Y17-T97 PolarHBondContact O-OG1 2.95Å; Y17-M98 HydrophobicContact CD1-CE 3.86Å; Y17-M98 HydrophobicContact CD2-CE 3.72Å; Y17-M98 HydrophobicContact CE1-CE 4.1Å; Y17-M98 HydrophobicContact CE2-CE 3.98Å; Y17-M98 HydrophobicContact CG-CE 3.67Å; Y17-M98 PolarHBondContact N-O 3.16Å; Y17-V100 HydrophobicContact CD2-CG2 4.15Å; Y17-V100 HydrophobicContact CE2-CB 4.18Å; Y17-V100 HydrophobicContact CE2-CG2 3.6Å |
| 18 | R | 58 | Low | 54 | Low | 45 Ų | 45 | 49.3 Ų | 49.3 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -97.9 | -4 | 172.7 | -55.1 | -168.4 | 178 | 127 | 1.4 | 114.1 | D22 A24 I42 T97 | R18-D22 PolarHBondContact N-O 2.78Å; R18-A24 HydrophobicContact CG-CB 3.85Å; R18-I42 VanDerWaalsContact NH2-CD1 3.31Å; R18-T97 VanDerWaalsContact C-OG1 3.29Å |
| 19 | G | 50.8 | Low | 54.5 | Low | 17 Ų | 17 | 45.3 Ų | 45.3 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -172 | -172.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y17 E21 T97 | Y17-G19 WeakPolarHBondContact CB-O 3.41Å; G19-E21 PolarHBondContact O-N 3.26Å; G19-T97 WeakPolarHBondContact CA-OG1 3.42Å; G19-T97 PolarHBondContact N-OG1 3.06Å; G19-T97 VanDerWaalsContact N-OG1 3.16Å |
| 20 | P | 51 | Low | 54.9 | Low | 119 Ų | 119 | 47 Ų | 47 | 77% | 0.773 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -63.5 | -24.5 | 179.8 | 24.3 | -33.2 | 0 | 0 | 0 | 114.2 | ||
| 21 | E | 47.5 | Very low | 55 | Low | 177 Ų | 177 | 42.6 Ų | 42.6 | 83% | 0.827 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -120.4 | -19.3 | -172.6 | -61.8 | 179.7 | -178.4 | 0 | 0 | 114 | G19 I23 | G19-E21 PolarHBondContact O-N 3.26Å; E21-I23 PolarHBondContact O-N 3.18Å |
| 22 | D | 49.9 | Very low | 55 | Low | 94 Ų | 94 | 45.3 Ų | 45.3 | 50% | 0.503 | 25% | 0.25 | S | C | . | . | trans | -97.8 | 94.4 | -164.7 | -146 | 21.7 | 0 | 0 | 0 | 111.4 | Y17 R18 A24 | Y17-D22 CarbonylContact C-O 3.51Å; Y17-D22 VanDerWaalsContact CA-O 3.3Å; Y17-D22 WeakPolarHBondContact CA-O 2.96Å; R18-D22 PolarHBondContact N-O 2.78Å; D22-A24 PolarHBondContact O-N 3.48Å | ||
| 23 | I | 49.1 | Very low | 54.7 | Low | 42 Ų | 42 | 47.9 Ų | 47.9 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 117.1 | 177.1 | -62.8 | 173.3 | 0 | 0 | 0 | 109.9 | Y17 E21 | Y17-I23 HydrophobicContact CD1-CG1 3.76Å; Y17-I23 HydrophobicContact CE1-CD1 4.14Å; Y17-I23 HydrophobicContact CE1-CG1 3.35Å; Y17-I23 HydrophobicContact CE2-CG1 4.27Å; Y17-I23 HydrophobicContact CG-CG1 4.38Å; E21-I23 PolarHBondContact O-N 3.18Å |
| 24 | A | 55.5 | Low | 54 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -52.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F16 R18 D22 | F16-A24 WeakPolarHBondContact O-CA 3.39Å; F16-A24 WeakPolarHBondContact O-CB 3.31Å; F16-A24 PolarHBondContact O-N 3.43Å; R18-A24 HydrophobicContact CG-CB 3.85Å; D22-A24 PolarHBondContact O-N 3.48Å |
| 25 | F | 58.8 | Low | 53 | Low | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 159.1 | 175.3 | 60.8 | -88.2 | 0 | 0 | 0 | 111.4 | F16 I27 K39 V71 V76 L89 L91 I96 | F16-F25 HydrophobicContact CB-CD1 4.34Å; F16-F25 HydrophobicContact CB-CD2 4.49Å; F16-F25 HydrophobicContact CB-CE1 4.05Å; F16-F25 HydrophobicContact CB-CE2 4.21Å; F16-F25 HydrophobicContact CB-CZ 3.97Å; F16-F25 HydrophobicContact CD1-CZ 4.4Å; F16-F25 AromaticContact CD2-CD2 3.78Å; F16-F25 HydrophobicContact CD2-CD2 3.78Å; F16-F25 AromaticContact CD2-CE2 3.23Å; F16-F25 HydrophobicContact CD2-CE2 3.23Å; F16-F25 AromaticContact CD2-CZ 3.67Å; F16-F25 HydrophobicContact CD2-CZ 3.67Å; F16-F25 HydrophobicContact CE2-CD2 4.47Å; F16-F25 AromaticContact CE2-CE2 3.69Å; F16-F25 HydrophobicContact CE2-CE2 3.69Å; F16-F25 HydrophobicContact CE2-CZ 4.24Å; F16-F25 HydrophobicContact CG-CD2 4.44Å; F16-F25 HydrophobicContact CG-CE1 4.34Å; F16-F25 AromaticContact CG-CE2 3.82Å; F16-F25 HydrophobicContact CG-CE2 3.82Å; F16-F25 AromaticContact CG-CZ 3.75Å; F16-F25 HydrophobicContact CG-CZ 3.75Å; F16-F25 PolarHBondContact N-O 2.66Å; F16-F25 PolarHBondContact O-N 3.47Å; F25-I27 HydrophobicContact CD2-CG1 4.2Å; F25-I27 HydrophobicContact CE2-CD1 4.23Å; F25-I27 HydrophobicContact CE2-CG1 4.23Å; F25-K39 CarbonylContact C-O 3.44Å; F25-K39 WeakPolarHBondContact CA-O 3.31Å; F25-V71 HydrophobicContact CZ-CG2 4.18Å; F25-V76 HydrophobicContact CE1-CG2 4.03Å; F25-V76 HydrophobicContact CE2-CG1 4.24Å; F25-V76 HydrophobicContact CZ-CG1 4.08Å; F25-V76 HydrophobicContact CZ-CG2 3.88Å; F25-L89 HydrophobicContact CB-CD1 4.05Å; F25-L89 HydrophobicContact CD1-CD1 3.58Å; F25-L89 HydrophobicContact CD2-CD1 4.37Å; F25-L89 HydrophobicContact CE1-CD1 4.07Å; F25-L89 HydrophobicContact CG-CD1 3.75Å; F25-L91 HydrophobicContact CD1-CD2 4.45Å; F25-I96 HydrophobicContact CE1-CD1 3.89Å; F25-I96 HydrophobicContact CZ-CD1 4.32Å |
| 26 | C | 61.1 | Low | 52 | Low | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.081 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.5 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | L14 E15 T28 I38 K39 | L14-C26 CarbonylContact O-C 3.58Å; L14-C26 WeakPolarHBondContact O-CA 3.22Å; E15-C26 HydrophobicContact CG-CB 3.94Å; E15-C26 VanDerWaalsContact CG-SG 3.52Å; C26-T28 WeakPolarHBondContact SG-CG2 3.5Å; C26-I38 CarbonylContact O-C 3.52Å; C26-I38 WeakPolarHBondContact O-CA 3.35Å; C26-K39 PolarHBondContact N-O 2.65Å; C26-K39 PolarHBondContact O-N 2.61Å |
| 27 | I | 61.2 | Low | 51.1 | Low | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.6 | 170.1 | -54.8 | 179.8 | 0 | 0 | 0 | 107.3 | Y13 L14 F16 F25 W36 I38 V69 L78 | Y13-I27 CarbonylContact C-O 3.04Å; L14-I27 HydrophobicContact CB-CB 4.15Å; L14-I27 PolarHBondContact N-O 3.25Å; L14-I27 PolarHBondContact O-N 3.21Å; F16-I27 HydrophobicContact CE2-CD1 4.16Å; F16-I27 HydrophobicContact CE2-CG1 4.47Å; F25-I27 HydrophobicContact CD2-CG1 4.2Å; F25-I27 HydrophobicContact CE2-CD1 4.23Å; F25-I27 HydrophobicContact CE2-CG1 4.23Å; I27-W36 HydrophobicContact CG2-CE3 4.07Å; I27-W36 HydrophobicContact CG2-CZ3 4.34Å; I27-I38 HydrophobicContact CG1-CG1 4.24Å; I27-I38 HydrophobicContact CG2-CG1 4.32Å; I27-V69 HydrophobicContact CD1-CG2 4.45Å; I27-L78 HydrophobicContact CD1-CD1 4.47Å; I27-L78 HydrophobicContact CD1-CD2 4.46Å; I27-L78 HydrophobicContact CG2-CD2 4.4Å |
| 28 | T | 56.7 | Low | 50.4 | Low | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.1 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | T12 Y13 C26 W36 M37 | T12-T28 VanDerWaalsContact O-CA 3.25Å; T12-T28 WeakPolarHBondContact O-CA 3.38Å; Y13-T28 HydrophobicContact CD1-CG2 3.47Å; Y13-T28 VanDerWaalsContact CD1-CG2 3.47Å; Y13-T28 HydrophobicContact CE1-CG2 3.79Å; Y13-T28 HydrophobicContact CG-CG2 4.41Å; C26-T28 WeakPolarHBondContact SG-CG2 3.5Å; T28-W36 CarbonylContact O-C 3.55Å; T28-W36 WeakPolarHBondContact O-CA 3.35Å; T28-M37 PolarHBondContact N-O 2.78Å; T28-M37 PolarHBondContact O-N 3.08Å; T28-M37 PolarHBondContact OG1-O 2.79Å |
| 29 | G | 55.4 | Low | 49.8 | Very low | 4 Ų | 4 | 59.2 Ų | 59.2 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 129.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T12 W36 | T12-G29 PolarHBondContact N-O 2.89Å; T12-G29 PolarHBondContact O-N 2.64Å; G29-W36 VanDerWaalsContact CA-CE3 3.45Å |
| 30 | N | 50.3 | Low | 49.4 | Very low | 78 Ų | 78 | 58.9 Ų | 58.9 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 100.7 | 171.8 | -177.7 | -20.1 | 0 | 0 | 0 | 109.2 | G32 A33 K34 L35 | N30-G32 VanDerWaalsContact C-N 3.33Å; N30-G32 PolarHBondContact O-N 2.87Å; N30-G32 PolarHBondContact OD1-N 2.96Å; N30-A33 HydrophobicContact CB-CB 4.39Å; N30-A33 CarbonylContact O-C 2.78Å; N30-A33 PolarHBondContact O-N 2.84Å; N30-A33 PolarHBondContact OD1-N 3.38Å; N30-K34 PolarHBondContact O-N 2.88Å; N30-K34 VanDerWaalsContact O-N 3.1Å; N30-L35 PolarHBondContact N-O 2.92Å; N30-L35 PolarHBondContact O-N 3.18Å; N30-L35 VanDerWaalsContact O-N 3.07Å |
| 31 | Y | 46.6 | Very low | 49 | Very low | 46 Ų | 46 | 58 Ų | 58 | 18% | 0.18 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -64.9 | -32.5 | -179 | -93.4 | -83.9 | 0 | 0 | 0 | 113.5 | L5 A33 K34 W36 V57 A59 | L5-Y31 HydrophobicContact CD1-CD2 4.29Å; L5-Y31 HydrophobicContact CD1-CE2 4.42Å; L5-Y31 HydrophobicContact CD1-CG 4.49Å; L5-Y31 HydrophobicContact CD2-CE2 4.48Å; Y31-A33 PolarHBondContact O-N 2.75Å; Y31-K34 PolarHBondContact O-N 2.89Å; Y31-W36 HydrophobicContact CE2-CH2 4.29Å; Y31-W36 AromaticContact CE2-CZ2 3.7Å; Y31-W36 HydrophobicContact CE2-CZ2 3.7Å; Y31-W36 AromaticContact CZ-CZ2 3.95Å; Y31-V57 HydrophobicContact CE1-CB 4.05Å; Y31-V57 HydrophobicContact CE1-CG1 4.31Å; Y31-V57 VanDerWaalsContact OH-CG1 3.3Å; Y31-V57 WeakPolarHBondContact OH-CG1 3.16Å; Y31-A59 HydrophobicContact CE1-CB 3.93Å |
| 32 | G | 43.8 | Very low | 48.8 | Very low | 81 Ų | 81 | 50.8 Ų | 50.8 | 84% | 0.835 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.1 | -26.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N30 | N30-G32 VanDerWaalsContact C-N 3.33Å; N30-G32 PolarHBondContact O-N 2.87Å; N30-G32 PolarHBondContact OD1-N 2.96Å |
| 33 | A | 42.8 | Very low | 48.1 | Very low | 59 Ų | 59 | 53.4 Ų | 53.4 | 49% | 0.488 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -100.9 | -0.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N30 Y31 L35 | N30-A33 HydrophobicContact CB-CB 4.39Å; N30-A33 CarbonylContact O-C 2.78Å; N30-A33 PolarHBondContact O-N 2.84Å; N30-A33 PolarHBondContact OD1-N 3.38Å; Y31-A33 PolarHBondContact O-N 2.75Å; A33-L35 HydrophobicContact CB-CB 4.1Å; A33-L35 PolarHBondContact O-N 3.24Å; A33-L35 VanDerWaalsContact O-N 3.13Å |
| 34 | K | 41 | Very low | 47.5 | Very low | 174 Ų | 174 | 60.5 Ų | 60.5 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 30.6 | -167.8 | -61.4 | -179.9 | -179.5 | 172.9 | 0 | 113.9 | N30 Y31 | N30-K34 PolarHBondContact O-N 2.88Å; N30-K34 VanDerWaalsContact O-N 3.1Å; Y31-K34 PolarHBondContact O-N 2.89Å |
| 35 | L | 39.9 | Very low | 46.6 | Very low | 75 Ų | 75 | 64.8 Ų | 64.8 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.2 | -170 | -149.3 | 82.9 | 0 | 0 | 0 | 111.5 | N30 A33 M37 | N30-L35 PolarHBondContact N-O 2.92Å; N30-L35 PolarHBondContact O-N 3.18Å; N30-L35 VanDerWaalsContact O-N 3.07Å; A33-L35 HydrophobicContact CB-CB 4.1Å; A33-L35 PolarHBondContact O-N 3.24Å; A33-L35 VanDerWaalsContact O-N 3.13Å; L35-M37 HydrophobicContact CD2-CG 4.07Å; L35-M37 HydrophobicContact CD2-SD 4.25Å |
| 36 | W | 46.6 | Very low | 45.3 | Very low | 52 Ų | 52 | 73.3 Ų | 73.3 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.8 | 165.7 | -65.9 | 90.7 | 0 | 0 | 0 | 109.5 | T12 I27 T28 G29 Y31 I80 | T12-W36 HydrophobicContact CG2-CH2 4.29Å; T12-W36 HydrophobicContact CG2-CZ3 3.94Å; I27-W36 HydrophobicContact CG2-CE3 4.07Å; I27-W36 HydrophobicContact CG2-CZ3 4.34Å; T28-W36 CarbonylContact O-C 3.55Å; T28-W36 WeakPolarHBondContact O-CA 3.35Å; G29-W36 VanDerWaalsContact CA-CE3 3.45Å; Y31-W36 HydrophobicContact CE2-CH2 4.29Å; Y31-W36 AromaticContact CE2-CZ2 3.7Å; Y31-W36 HydrophobicContact CE2-CZ2 3.7Å; Y31-W36 AromaticContact CZ-CZ2 3.95Å; W36-I80 HydrophobicContact CH2-CD1 3.72Å; W36-I80 HydrophobicContact CZ2-CD1 3.52Å; W36-I80 HydrophobicContact CZ3-CD1 4.41Å |
| 37 | M | 46.6 | Very low | 44.3 | Very low | 68 Ų | 68 | 77 Ų | 77 | 34% | 0.335 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.7 | 174.7 | -68.4 | -177.6 | -70.6 | 0 | 0 | 109.6 | T28 L35 | T28-M37 PolarHBondContact N-O 2.78Å; T28-M37 PolarHBondContact O-N 3.08Å; T28-M37 PolarHBondContact OG1-O 2.79Å; L35-M37 HydrophobicContact CD2-CG 4.07Å; L35-M37 HydrophobicContact CD2-SD 4.25Å |
| 38 | I | 46.8 | Very low | 43.1 | Very low | 45 Ų | 45 | 79 Ų | 79 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 171.7 | -56.6 | -179.5 | 0 | 0 | 0 | 108.1 | C26 I27 F87 | C26-I38 CarbonylContact O-C 3.52Å; C26-I38 WeakPolarHBondContact O-CA 3.35Å; I27-I38 HydrophobicContact CG1-CG1 4.24Å; I27-I38 HydrophobicContact CG2-CG1 4.32Å; I38-F87 HydrophobicContact CD1-CD1 4.15Å; I38-F87 HydrophobicContact CD1-CD2 3.64Å; I38-F87 HydrophobicContact CD1-CE1 3.87Å; I38-F87 HydrophobicContact CD1-CE2 3.32Å; I38-F87 HydrophobicContact CD1-CG 4.04Å; I38-F87 HydrophobicContact CD1-CZ 3.45Å; I38-F87 VanDerWaalsContact CD1-CZ 3.45Å |
| 39 | K | 43.9 | Very low | 42.2 | Very low | 85 Ų | 85 | 82.5 Ų | 82.5 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 104.1 | 174.7 | -67.3 | 179 | -179.3 | 173.1 | 0 | 108.9 | F25 C26 | F25-K39 CarbonylContact C-O 3.44Å; F25-K39 WeakPolarHBondContact CA-O 3.31Å; C26-K39 PolarHBondContact N-O 2.65Å; C26-K39 PolarHBondContact O-N 2.61Å |
| 40 | S | 42.7 | Very low | 41.4 | Very low | 10 Ų | 10 | 85 Ų | 85 | 7% | 0.07 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 141.9 | 160.8 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | I42 | S40-I42 WeakPolarHBondContact OG-CD1 3.45Å; S40-I42 WeakPolarHBondContact OG-CG1 3.26Å |
| 41 | L | 43.5 | Very low | 40.7 | Very low | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | trans | -113 | 5.9 | -179.4 | -139.7 | 130.6 | 0 | 0 | 0 | 113 | N43 K44 | L41-N43 PolarHBondContact O-N 2.74Å; L41-K44 PolarHBondContact O-N 2.77Å; L41-K44 VanDerWaalsContact O-N 3.11Å | ||
| 42 | I | 42.2 | Very low | 40.6 | Very low | 27 Ų | 27 | 92.1 Ų | 92.1 | 14% | 0.138 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -59.1 | 126.9 | 179.7 | -54.8 | 169.5 | 0 | 0 | 0 | 109.1 | R18 S40 K44 T45 P90 L91 | R18-I42 VanDerWaalsContact NH2-CD1 3.31Å; S40-I42 WeakPolarHBondContact OG-CD1 3.45Å; S40-I42 WeakPolarHBondContact OG-CG1 3.26Å; I42-K44 PolarHBondContact O-N 2.86Å; I42-T45 PolarHBondContact O-N 2.8Å; I42-T45 PolarHBondContact O-OG1 3.24Å; I42-P90 WeakPolarHBondContact CD1-O 3.48Å; I42-L91 HydrophobicContact CD1-CD2 3.92Å |
| 43 | N | 36.8 | Very low | 40.3 | Very low | 149 Ų | 149 | 94.9 Ų | 94.9 | 80% | 0.797 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | 51.5 | 22.6 | -176.3 | -66.9 | 3.3 | 0 | 0 | 0 | 115.4 | L41 T45 | L41-N43 PolarHBondContact O-N 2.74Å; N43-T45 PolarHBondContact O-N 2.88Å |
| 44 | K | 35.8 | Very low | 40.2 | Very low | 190 Ų | 190 | 98.9 Ų | 98.9 | 83% | 0.826 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | 61.1 | 3.6 | -175.8 | -54.5 | 169.2 | -178.5 | 169 | 0 | 114.7 | L41 I42 | L41-K44 PolarHBondContact O-N 2.77Å; L41-K44 VanDerWaalsContact O-N 3.11Å; I42-K44 PolarHBondContact O-N 2.86Å |
| 45 | T | 36.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | trans | -79.4 | 122.4 | 180 | 31.5 | 0 | 0 | 0 | 0 | 111.9 | I42 N43 I47 | I42-T45 PolarHBondContact O-N 2.8Å; I42-T45 PolarHBondContact O-OG1 3.24Å; N43-T45 PolarHBondContact O-N 2.88Å; T45-I47 PolarHBondContact O-N 3.38Å | ||
| 46 | W | 32.2 | Very low | 40.4 | Very low | 181 Ų | 181 | 96.7 Ų | 96.7 | 69% | 0.686 | 48% | 0.482 | S | S | * | . | trans | -66.8 | 113.7 | 169.5 | -99.3 | 59 | 0 | 0 | 0 | 110.4 | ||||
| 47 | I | 40.1 | Very low | 40.3 | Very low | 88 Ų | 88 | 95.2 Ų | 95.2 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | trans | -77.8 | 125.5 | 154 | -57.9 | 175.7 | 0 | 0 | 0 | 106.2 | T45 L89 P90 | T45-I47 PolarHBondContact O-N 3.38Å; I47-L89 HydrophobicContact CD1-CD2 4.37Å; I47-P90 HydrophobicContact CD1-CG 4.4Å | ||
| 48 | G | 36 | Very low | 40.2 | Very low | 47 Ų | 47 | 96.8 Ų | 96.8 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | trans | -64.5 | 164 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A50 | G48-A50 PolarHBondContact O-N 3.14Å; G48-A50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | P | 37.1 | Very low | 40.1 | Very low | 85 Ų | 85 | 95.7 Ų | 95.7 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | trans | -66.6 | 111 | -176.9 | 27.7 | -34.5 | 0 | 0 | 0 | 111.7 | K51 | P49-K51 PolarHBondContact O-N 3.22Š| ||
| 50 | A | 38.7 | Very low | 40.4 | Very low | 56 Ų | 56 | 98.3 Ų | 98.3 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | trans | -70.8 | 96.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G48 Y52 | G48-A50 PolarHBondContact O-N 3.14Å; G48-A50 VanDerWaalsContact O-N 3.12Å; A50-Y52 HydrophobicContact CB-CD2 4.04Å; A50-Y52 HydrophobicContact CB-CE2 3.71Å; A50-Y52 PolarHBondContact O-N 3.16Å | ||
| 51 | K | 36.4 | Very low | 40.7 | Very low | 153 Ų | 153 | 102 Ų | 102 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | trans | -78.5 | 81.5 | -174 | -162.7 | -162.6 | -167.9 | -151 | 0 | 111.4 | P49 E53 | P49-K51 PolarHBondContact O-N 3.22Å; K51-E53 HydrophobicContact CD-CG 4.48Å; K51-E53 WeakPolarHBondContact CE-OE1 3.2Å; K51-E53 HydrophobicContact CG-CG 4.31Å; K51-E53 IonicContact NZ-OE1 2.61Å; K51-E53 PolarHBondContact NZ-OE1 2.95Å | ||
| 52 | Y | 43 | Very low | 41 | Very low | 120 Ų | 120 | 99.4 Ų | 99.4 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | trans | -86.8 | 105.2 | 174.8 | -72.4 | -75.6 | 0 | 0 | 0 | 111.3 | A50 F85 F87 | A50-Y52 HydrophobicContact CB-CD2 4.04Å; A50-Y52 HydrophobicContact CB-CE2 3.71Å; A50-Y52 PolarHBondContact O-N 3.16Å; Y52-F85 AromaticContact CD1-CD1 3.98Å; Y52-F85 HydrophobicContact CD1-CD1 3.98Å; Y52-F85 AromaticContact CD1-CE1 3.66Å; Y52-F85 HydrophobicContact CD1-CE1 3.66Å; Y52-F85 HydrophobicContact CD2-CD1 4.28Å; Y52-F85 HydrophobicContact CD2-CE1 4.47Å; Y52-F85 HydrophobicContact CE1-CD1 4.02Å; Y52-F85 HydrophobicContact CE1-CE1 4.11Å; Y52-F85 HydrophobicContact CE2-CD1 4.32Å; Y52-F85 HydrophobicContact CG-CD1 4.11Å; Y52-F85 AromaticContact CG-CE1 3.86Å; Y52-F85 HydrophobicContact CG-CE1 3.86Å; Y52-F87 HydrophobicContact CE2-CE1 4.11Å | ||
| 53 | E | 38 | Very low | 41.7 | Very low | 140 Ų | 140 | 103.8 Ų | 103.8 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | trans | -85.6 | -18.3 | -174.8 | -58 | -167.1 | 149 | 0 | 0 | 113.8 | K51 M55 | K51-E53 HydrophobicContact CD-CG 4.48Å; K51-E53 WeakPolarHBondContact CE-OE1 3.2Å; K51-E53 HydrophobicContact CG-CG 4.31Å; K51-E53 IonicContact NZ-OE1 2.61Å; K51-E53 PolarHBondContact NZ-OE1 2.95Å; E53-M55 VanDerWaalsContact C-N 3.35Å; E53-M55 PolarHBondContact O-N 3.26Å | ||
| 54 | D | 41.5 | Very low | 42.5 | Very low | 142 Ų | 142 | 102.2 Ų | 102.2 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | trans | -80 | -5 | -173.1 | -62.9 | -61.4 | 0 | 0 | 0 | 115.6 | K56 | D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.73Å | ||
| 55 | M | 41.8 | Very low | 43.6 | Very low | 27 Ų | 27 | 93.7 Ų | 93.7 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | trans | -77.9 | 69.7 | -168.6 | -149.9 | -171.2 | -173.9 | 0 | 0 | 113.4 | E53 V57 I80 F85 | E53-M55 VanDerWaalsContact C-N 3.35Å; E53-M55 PolarHBondContact O-N 3.26Å; M55-V57 HydrophobicContact CE-CG2 4.03Å; M55-V57 HydrophobicContact CG-CG2 4.05Å; M55-V57 PolarHBondContact O-N 3.28Å; M55-V57 HydrophobicContact SD-CG2 4.39Å; M55-I80 HydrophobicContact CE-CB 3.79Å; M55-I80 HydrophobicContact CE-CD1 3.86Å; M55-I80 HydrophobicContact CE-CG1 3.93Å; M55-F85 HydrophobicContact CB-CZ 4.41Å; M55-F85 HydrophobicContact CE-CD2 4.15Å; M55-F85 HydrophobicContact CE-CE2 3.77Å; M55-F85 HydrophobicContact CG-CE2 3.95Å; M55-F85 HydrophobicContact CG-CZ 4.06Å; M55-F85 HydrophobicContact SD-CE2 4.07Å | ||
| 56 | K | 41.8 | Very low | 44.9 | Very low | 177 Ų | 177 | 91.7 Ų | 91.7 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | trans | -70.2 | 67.7 | 173.4 | -73.9 | -177.9 | 177.3 | 171.9 | 0 | 112.6 | D54 T58 | D54-K56 VanDerWaalsContact C-N 3.28Å; D54-K56 PolarHBondContact O-N 2.73Å; K56-T58 PolarHBondContact O-N 3.03Å | ||
| 57 | V | 45.5 | Very low | 46.4 | Very low | 20 Ų | 20 | 83.5 Ų | 83.5 | 12% | 0.121 | 45% | 0.454 | C | S | . | . | trans | -81.7 | 102.1 | 165.3 | -170.4 | 0 | 0 | 0 | 0 | 109 | Y31 M55 A59 I80 | Y31-V57 HydrophobicContact CE1-CB 4.05Å; Y31-V57 HydrophobicContact CE1-CG1 4.31Å; Y31-V57 VanDerWaalsContact OH-CG1 3.3Å; Y31-V57 WeakPolarHBondContact OH-CG1 3.16Å; M55-V57 HydrophobicContact CE-CG2 4.03Å; M55-V57 HydrophobicContact CG-CG2 4.05Å; M55-V57 PolarHBondContact O-N 3.28Å; M55-V57 HydrophobicContact SD-CG2 4.39Å; V57-A59 HydrophobicContact CG1-CB 4.26Å; V57-A59 PolarHBondContact O-N 2.83Å; V57-I80 HydrophobicContact CG1-CG2 4.35Å; V57-I80 HydrophobicContact CG2-CG2 4.28Å | ||
| 58 | T | 43.5 | Very low | 47.9 | Very low | 101 Ų | 101 | 85.5 Ų | 85.5 | 62% | 0.62 | 46% | 0.459 | S | S | * | . | trans | -80 | 68.6 | 175 | 44.7 | 0 | 0 | 0 | 0 | 111.2 | K56 E60 R63 | K56-T58 PolarHBondContact O-N 3.03Å; T58-E60 PolarHBondContact O-N 2.88Å; T58-R63 PolarHBondContact O-NH1 2.89Å; T58-R63 PolarHBondContact OG1-NH1 2.91Å | ||
| 59 | A | 45.1 | Very low | 49.5 | Very low | 22 Ų | 22 | 85.3 Ų | 85.3 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | trans | -81.2 | 89.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L5 Y31 V57 | L5-A59 HydrophobicContact CD1-CB 3.58Å; L5-A59 HydrophobicContact CG-CB 4.36Å; Y31-A59 HydrophobicContact CE1-CB 3.93Å; V57-A59 HydrophobicContact CG1-CB 4.26Å; V57-A59 PolarHBondContact O-N 2.83Å | ||
| 60 | E | 49.9 | Very low | 51.1 | Low | 141 Ų | 141 | 83 Ų | 83 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | trans | -67.1 | 146.1 | 167.7 | -65.4 | -178.5 | 159.1 | 0 | 0 | 110.8 | T58 G62 R63 | T58-E60 PolarHBondContact O-N 2.88Å; E60-G62 PolarHBondContact O-N 2.99Å; E60-R63 HydrophobicContact CB-CB 4.38Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 2.79Å | ||
| 61 | P | 49.4 | Very low | 52.3 | Low | 86 Ų | 86 | 83 Ų | 83 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 122.2 | -179 | -25.7 | 35.2 | 0 | 0 | 0 | 112.9 | R7 | R7-P61 HydrophobicContact CG-CB 3.86Š|
| 62 | G | 50 | Low | 53.7 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -9.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L5 E60 M64 | L5-G62 PolarHBondContact O-N 2.94Å; L5-G62 VanDerWaalsContact O-N 3.07Å; E60-G62 PolarHBondContact O-N 2.99Å; G62-M64 PolarHBondContact O-N 3.1Å |
| 63 | R | 56.6 | Low | 54.7 | Low | 118 Ų | 118 | 83.8 Ų | 83.8 | 45% | 0.445 | 44% | 0.443 | S | S | . | . | trans | -67.4 | 128.1 | 168.9 | -172.7 | 178.9 | 179 | -170.7 | 1.4 | 109.4 | A4 T58 E60 | A4-R63 WeakPolarHBondContact CA-O 3.44Å; A4-R63 VanDerWaalsContact CB-O 3.31Å; A4-R63 WeakPolarHBondContact CB-O 3.4Å; T58-R63 PolarHBondContact O-NH1 2.89Å; T58-R63 PolarHBondContact OG1-NH1 2.91Å; E60-R63 HydrophobicContact CB-CB 4.38Å; E60-R63 WeakPolarHBondContact O-CB 3.31Å; E60-R63 PolarHBondContact O-N 2.79Å | ||
| 64 | M | 53.9 | Low | 55.5 | Low | 117 Ų | 117 | 77.8 Ų | 77.8 | 58% | 0.576 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.6 | 170.7 | -72.6 | -171.1 | -66.3 | 0 | 0 | 110.6 | A3 A4 G62 Y108 | A3-M64 CarbonylContact O-C 3.43Å; A3-M64 VanDerWaalsContact O-CA 3.3Å; A3-M64 WeakPolarHBondContact O-CA 3.39Å; A4-M64 HydrophobicContact CB-CG 4.19Å; G62-M64 PolarHBondContact O-N 3.1Å; M64-Y108 HydrophobicContact CG-CD2 3.9Å; M64-Y108 HydrophobicContact CG-CE2 3.74Å; M64-Y108 HydrophobicContact SD-CD1 4.36Å; M64-Y108 HydrophobicContact SD-CD2 3.72Å; M64-Y108 HydrophobicContact SD-CE2 3.97Å; M64-Y108 HydrophobicContact SD-CG 3.95Å |
| 65 | F | 59.3 | Low | 56.5 | Low | 11 Ų | 11 | 78.9 Ų | 78.9 | 5% | 0.048 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149 | 169.7 | 64.4 | -87.9 | 0 | 0 | 0 | 110.1 | A3 L5 T67 I80 D81 F105 | A3-F65 HydrophobicContact CB-CE1 4.23Å; A3-F65 HydrophobicContact CB-CE2 4.33Å; A3-F65 HydrophobicContact CB-CZ 3.95Å; A3-F65 PolarHBondContact N-O 2.84Å; A3-F65 WeakPolarHBondContact O-CD1 3.37Å; A3-F65 PolarHBondContact O-N 3.24Å; L5-F65 HydrophobicContact CD2-CE1 3.75Å; L5-F65 HydrophobicContact CD2-CZ 4.2Å; L5-F65 HydrophobicContact CG-CE1 3.92Å; F65-T67 WeakPolarHBondContact CD2-OG1 3.27Å; F65-T67 WeakPolarHBondContact CE2-OG1 3.35Å; F65-I80 HydrophobicContact CD2-CG2 4.15Å; F65-D81 WeakPolarHBondContact CA-OD1 3.37Å; F65-D81 WeakPolarHBondContact CB-OD1 3.4Å; F65-D81 WeakPolarHBondContact CB-OD2 3.42Å; F65-F105 HydrophobicContact CE1-CD1 4.49Å; F65-F105 HydrophobicContact CZ-CD1 4.04Å; F65-F105 HydrophobicContact CZ-CE1 4.15Å |
| 66 | A | 63.1 | Low | 57.6 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1 I80 D81 | M1-A66 CarbonylContact O-C 3.5Å; M1-A66 WeakPolarHBondContact O-CA 3.36Å; A66-I80 WeakPolarHBondContact O-CA 3.34Å; A66-D81 PolarHBondContact N-OD1 2.73Å; A66-D81 PolarHBondContact O-N 3.36Å |
| 67 | T | 63.7 | Low | 58.9 | Low | 10 Ų | 10 | 72.1 Ų | 72.1 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.3 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | M1 F65 V69 L78 S79 I80 | M1-T67 WeakPolarHBondContact CA-O 3.34Å; M1-T67 WeakPolarHBondContact CB-O 3.36Å; M1-T67 PolarHBondContact N-O 3.4Å; M1-T67 PolarHBondContact O-N 2.8Å; M1-T67 VanDerWaalsContact O-O 3.12Å; F65-T67 WeakPolarHBondContact CD2-OG1 3.27Å; F65-T67 WeakPolarHBondContact CE2-OG1 3.35Å; T67-V69 HydrophobicContact CG2-CG2 4.48Å; T67-L78 HydrophobicContact CG2-CD1 3.74Å; T67-S79 CarbonylContact C-O 3.26Å; T67-S79 VanDerWaalsContact CA-O 3.3Å; T67-S79 WeakPolarHBondContact CA-O 3.41Å; T67-I80 HydrophobicContact CG2-CG1 4.21Å |
| 68 | K | 71.9 | Confident | 60 | Low | 129 Ų | 129 | 71.6 Ų | 71.6 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.2 | 174 | -175.4 | -173.5 | -179.4 | -172.4 | 0 | 108.7 | V70 L78 S79 | K68-V70 HydrophobicContact CD-CG2 4.25Å; K68-V70 HydrophobicContact CG-CG2 4.17Å; K68-L78 CarbonylContact O-C 3.6Å; K68-L78 WeakPolarHBondContact O-CA 3.42Å; K68-S79 PolarHBondContact N-O 2.99Å; K68-S79 PolarHBondContact O-N 2.9Å |
| 69 | V | 69.1 | Low | 61.1 | Low | 43 Ų | 43 | 67.7 Ų | 67.7 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.5 | 169.6 | -177.1 | 0 | 0 | 0 | 0 | 108 | F16 I27 T67 V71 V76 Q77 L78 | F16-V69 HydrophobicContact CE1-CG1 4.4Å; F16-V69 HydrophobicContact CZ-CB 4.13Å; F16-V69 HydrophobicContact CZ-CG1 3.96Å; F16-V69 HydrophobicContact CZ-CG2 4.07Å; I27-V69 HydrophobicContact CD1-CG2 4.45Å; T67-V69 HydrophobicContact CG2-CG2 4.48Å; V69-V71 HydrophobicContact CG1-CG2 4.18Å; V69-V76 HydrophobicContact CG1-CG1 3.89Å; V69-Q77 CarbonylContact C-O 3.51Å; V69-Q77 VanDerWaalsContact CA-O 3.32Å; V69-Q77 WeakPolarHBondContact CA-O 3.23Å; V69-L78 HydrophobicContact CG2-CD1 3.73Å |
| 70 | V | 70 | Confident | 62 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.6 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | K68 V76 Q77 | K68-V70 HydrophobicContact CD-CG2 4.25Å; K68-V70 HydrophobicContact CG-CG2 4.17Å; V70-V76 CarbonylContact O-C 3.48Å; V70-V76 WeakPolarHBondContact O-CA 3.37Å; V70-Q77 HydrophobicContact CB-CB 4.3Å; V70-Q77 PolarHBondContact N-O 2.86Å; V70-Q77 PolarHBondContact O-N 2.96Å |
| 71 | V | 65.6 | Low | 62.9 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.3 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | F25 V69 R75 V76 L91 I96 | F25-V71 HydrophobicContact CZ-CG2 4.18Å; V69-V71 HydrophobicContact CG1-CG2 4.18Å; V71-R75 CarbonylContact C-O 3.54Å; V71-R75 WeakPolarHBondContact CA-O 3.27Å; V71-V76 HydrophobicContact CG1-CG2 4.19Å; V71-V76 HydrophobicContact CG2-CG1 4.32Å; V71-V76 HydrophobicContact CG2-CG2 4.09Å; V71-L91 HydrophobicContact CG1-CD1 3.74Å; V71-I96 HydrophobicContact CB-CD1 4.2Å; V71-I96 HydrophobicContact CG1-CD1 4.02Å; V71-I96 HydrophobicContact CG2-CD1 3.86Å |
| 72 | Q | 64.2 | Low | 63.5 | Low | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 119.1 | -173.8 | -170.9 | 174.5 | 4.7 | 0 | 0 | 110 | G74 R75 | Q72-G74 VanDerWaalsContact C-N 3.34Å; Q72-G74 PolarHBondContact O-N 2.86Å; Q72-R75 PolarHBondContact N-O 3.16Å; Q72-R75 WeakPolarHBondContact O-CB 3.47Å; Q72-R75 PolarHBondContact O-N 2.78Å |
| 73 | N | 64.4 | Low | 64.2 | Low | 161 Ų | 161 | 67.4 Ų | 67.4 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49.8 | 177.2 | -58.9 | 3.9 | 0 | 0 | 0 | 113.6 | R75 | N73-R75 PolarHBondContact O-N 3.18Š|
| 74 | G | 56.2 | Low | 64.5 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -22.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q72 L89 | Q72-G74 VanDerWaalsContact C-N 3.34Å; Q72-G74 PolarHBondContact O-N 2.86Å; G74-L89 CarbonylContact C-O 3.55Å; G74-L89 PolarHBondContact O-N 2.86Å |
| 75 | R | 62.6 | Low | 64.8 | Low | 165 Ų | 165 | 61 Ų | 61 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 139.8 | 175.4 | -56.5 | -168.7 | 175 | 178.1 | -1.8 | 110.8 | V71 Q72 N73 F87 V88 | V71-R75 CarbonylContact C-O 3.54Å; V71-R75 WeakPolarHBondContact CA-O 3.27Å; Q72-R75 PolarHBondContact N-O 3.16Å; Q72-R75 WeakPolarHBondContact O-CB 3.47Å; Q72-R75 PolarHBondContact O-N 2.78Å; N73-R75 PolarHBondContact O-N 3.18Å; R75-F87 CarbonylContact C-O 3.56Å; R75-F87 VanDerWaalsContact CA-O 3.31Å; R75-F87 WeakPolarHBondContact CA-O 3.45Å; R75-V88 HydrophobicContact CG-CG1 4.48Å; R75-V88 HydrophobicContact CG-CG2 4.22Å |
| 76 | V | 64.1 | Low | 65 | Low | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | F25 V69 V70 V71 F87 L89 | F25-V76 HydrophobicContact CE1-CG2 4.03Å; F25-V76 HydrophobicContact CE2-CG1 4.24Å; F25-V76 HydrophobicContact CZ-CG1 4.08Å; F25-V76 HydrophobicContact CZ-CG2 3.88Å; V69-V76 HydrophobicContact CG1-CG1 3.89Å; V70-V76 CarbonylContact O-C 3.48Å; V70-V76 WeakPolarHBondContact O-CA 3.37Å; V71-V76 HydrophobicContact CG1-CG2 4.19Å; V71-V76 HydrophobicContact CG2-CG1 4.32Å; V71-V76 HydrophobicContact CG2-CG2 4.09Å; V76-F87 HydrophobicContact CB-CD2 4.17Å; V76-F87 HydrophobicContact CG1-CD2 4.18Å; V76-F87 PolarHBondContact N-O 2.63Å; V76-F87 VanDerWaalsContact O-CD2 3.25Å; V76-F87 WeakPolarHBondContact O-CD2 3.35Å; V76-F87 PolarHBondContact O-N 2.75Å; V76-L89 HydrophobicContact CG2-CD1 3.83Å; V76-L89 HydrophobicContact CG2-CG 4.24Å |
| 77 | Q | 69.3 | Low | 64.8 | Low | 61 Ų | 61 | 64.6 Ų | 64.6 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122 | 171.2 | -171.1 | 177.1 | 28.3 | 0 | 0 | 109.3 | V69 V70 S84 F85 N86 | V69-Q77 CarbonylContact C-O 3.51Å; V69-Q77 VanDerWaalsContact CA-O 3.32Å; V69-Q77 WeakPolarHBondContact CA-O 3.23Å; V70-Q77 HydrophobicContact CB-CB 4.3Å; V70-Q77 PolarHBondContact N-O 2.86Å; V70-Q77 PolarHBondContact O-N 2.96Å; Q77-S84 PolarHBondContact NE2-OG 2.79Å; Q77-F85 CarbonylContact C-O 3.52Å; Q77-F85 VanDerWaalsContact CA-O 3.29Å; Q77-F85 WeakPolarHBondContact CA-O 3.47Å; Q77-N86 WeakPolarHBondContact CB-OD1 3.19Å; Q77-N86 VanDerWaalsContact CG-OD1 3.23Å; Q77-N86 WeakPolarHBondContact CG-OD1 3.37Å |
| 78 | L | 68.6 | Low | 64.5 | Low | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.7 | 172.5 | 171.9 | 68 | 0 | 0 | 0 | 109 | I27 T67 K68 V69 I80 S84 F85 F87 | I27-L78 HydrophobicContact CD1-CD1 4.47Å; I27-L78 HydrophobicContact CD1-CD2 4.46Å; I27-L78 HydrophobicContact CG2-CD2 4.4Å; T67-L78 HydrophobicContact CG2-CD1 3.74Å; K68-L78 CarbonylContact O-C 3.6Å; K68-L78 WeakPolarHBondContact O-CA 3.42Å; V69-L78 HydrophobicContact CG2-CD1 3.73Å; L78-I80 HydrophobicContact CD1-CD1 4.46Å; L78-I80 HydrophobicContact CD1-CG1 4.13Å; L78-I80 HydrophobicContact CD2-CD1 4.49Å; L78-I80 HydrophobicContact CG-CG1 4.28Å; L78-S84 CarbonylContact O-C 3.56Å; L78-S84 WeakPolarHBondContact O-CA 3.21Å; L78-F85 PolarHBondContact N-O 2.61Å; L78-F85 PolarHBondContact O-N 3.19Å; L78-F87 HydrophobicContact CB-CE2 3.66Å; L78-F87 HydrophobicContact CB-CZ 4.17Å; L78-F87 HydrophobicContact CD2-CE2 4.37Å; L78-F87 HydrophobicContact CD2-CZ 4.37Å |
| 79 | S | 67.1 | Low | 63.7 | Low | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.7 | 166.1 | -53 | 0 | 0 | 0 | 0 | 110.6 | T67 K68 Q83 S84 | T67-S79 CarbonylContact C-O 3.26Å; T67-S79 VanDerWaalsContact CA-O 3.3Å; T67-S79 WeakPolarHBondContact CA-O 3.41Å; K68-S79 PolarHBondContact N-O 2.99Å; K68-S79 PolarHBondContact O-N 2.9Å; S79-Q83 VanDerWaalsContact CA-O 3.26Å; S79-Q83 WeakPolarHBondContact CA-O 3.31Å; S79-S84 VanDerWaalsContact OG-CB 3.25Å; S79-S84 WeakPolarHBondContact OG-CB 3.37Å |
| 80 | I | 64 | Low | 62.8 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.8 | 165.8 | -52.9 | -174.2 | 0 | 0 | 0 | 107.5 | W36 M55 V57 F65 A66 T67 L78 N82 Q83 | W36-I80 HydrophobicContact CH2-CD1 3.72Å; W36-I80 HydrophobicContact CZ2-CD1 3.52Å; W36-I80 HydrophobicContact CZ3-CD1 4.41Å; M55-I80 HydrophobicContact CE-CB 3.79Å; M55-I80 HydrophobicContact CE-CD1 3.86Å; M55-I80 HydrophobicContact CE-CG1 3.93Å; V57-I80 HydrophobicContact CG1-CG2 4.35Å; V57-I80 HydrophobicContact CG2-CG2 4.28Å; F65-I80 HydrophobicContact CD2-CG2 4.15Å; A66-I80 WeakPolarHBondContact O-CA 3.34Å; T67-I80 HydrophobicContact CG2-CG1 4.21Å; L78-I80 HydrophobicContact CD1-CD1 4.46Å; L78-I80 HydrophobicContact CD1-CG1 4.13Å; L78-I80 HydrophobicContact CD2-CD1 4.49Å; L78-I80 HydrophobicContact CG-CG1 4.28Å; I80-N82 VanDerWaalsContact C-N 3.26Å; I80-N82 PolarHBondContact O-N 3.05Å; I80-Q83 PolarHBondContact N-O 2.88Å; I80-Q83 WeakPolarHBondContact O-CB 2.86Å; I80-Q83 PolarHBondContact O-N 3.34Å |
| 81 | D | 67.7 | Low | 61.7 | Low | 56 Ų | 56 | 66 Ų | 66 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 51 | -177.5 | -67.4 | -12.5 | 0 | 0 | 0 | 112.8 | F65 A66 Q83 | F65-D81 WeakPolarHBondContact CA-OD1 3.37Å; F65-D81 WeakPolarHBondContact CB-OD1 3.4Å; F65-D81 WeakPolarHBondContact CB-OD2 3.42Å; A66-D81 PolarHBondContact N-OD1 2.73Å; A66-D81 PolarHBondContact O-N 3.36Å; D81-Q83 PolarHBondContact O-N 3.48Å; D81-Q83 VanDerWaalsContact O-N 3.09Å |
| 82 | N | 62.9 | Low | 60.9 | Low | 157 Ų | 157 | 66.9 Ų | 66.9 | 84% | 0.84 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -6.5 | -175 | -62.3 | -24 | 0 | 0 | 0 | 117.1 | I80 S84 | I80-N82 VanDerWaalsContact C-N 3.26Å; I80-N82 PolarHBondContact O-N 3.05Å; N82-S84 PolarHBondContact O-N 2.8Å |
| 83 | Q | 63.4 | Low | 60 | Low | 74 Ų | 74 | 66.2 Ų | 66.2 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 108.3 | 169.2 | -61.7 | -172.5 | -9.4 | 0 | 0 | 110.1 | S79 I80 D81 F85 | S79-Q83 VanDerWaalsContact CA-O 3.26Å; S79-Q83 WeakPolarHBondContact CA-O 3.31Å; I80-Q83 PolarHBondContact N-O 2.88Å; I80-Q83 WeakPolarHBondContact O-CB 2.86Å; I80-Q83 PolarHBondContact O-N 3.34Å; D81-Q83 PolarHBondContact O-N 3.48Å; D81-Q83 VanDerWaalsContact O-N 3.09Å; Q83-F85 HydrophobicContact CB-CE2 4.2Å |
| 84 | S | 63.6 | Low | 59.3 | Low | 59 Ų | 59 | 67.7 Ų | 67.7 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.3 | -175.8 | 79.5 | 0 | 0 | 0 | 0 | 114.2 | Q77 L78 S79 N82 | Q77-S84 PolarHBondContact NE2-OG 2.79Å; L78-S84 CarbonylContact O-C 3.56Å; L78-S84 WeakPolarHBondContact O-CA 3.21Å; S79-S84 VanDerWaalsContact OG-CB 3.25Å; S79-S84 WeakPolarHBondContact OG-CB 3.37Å; N82-S84 PolarHBondContact O-N 2.8Å |
| 85 | F | 59.3 | Low | 59.3 | Low | 41 Ų | 41 | 69.1 Ų | 69.1 | 18% | 0.18 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.4 | 176.7 | -67.4 | -98.3 | 0 | 0 | 0 | 110 | Y52 M55 Q77 L78 Q83 F87 | Y52-F85 AromaticContact CD1-CD1 3.98Å; Y52-F85 HydrophobicContact CD1-CD1 3.98Å; Y52-F85 AromaticContact CD1-CE1 3.66Å; Y52-F85 HydrophobicContact CD1-CE1 3.66Å; Y52-F85 HydrophobicContact CD2-CD1 4.28Å; Y52-F85 HydrophobicContact CD2-CE1 4.47Å; Y52-F85 HydrophobicContact CE1-CD1 4.02Å; Y52-F85 HydrophobicContact CE1-CE1 4.11Å; Y52-F85 HydrophobicContact CE2-CD1 4.32Å; Y52-F85 HydrophobicContact CG-CD1 4.11Å; Y52-F85 AromaticContact CG-CE1 3.86Å; Y52-F85 HydrophobicContact CG-CE1 3.86Å; M55-F85 HydrophobicContact CB-CZ 4.41Å; M55-F85 HydrophobicContact CE-CD2 4.15Å; M55-F85 HydrophobicContact CE-CE2 3.77Å; M55-F85 HydrophobicContact CG-CE2 3.95Å; M55-F85 HydrophobicContact CG-CZ 4.06Å; M55-F85 HydrophobicContact SD-CE2 4.07Å; Q77-F85 CarbonylContact C-O 3.52Å; Q77-F85 VanDerWaalsContact CA-O 3.29Å; Q77-F85 WeakPolarHBondContact CA-O 3.47Å; L78-F85 PolarHBondContact N-O 2.61Å; L78-F85 PolarHBondContact O-N 3.19Å; Q83-F85 HydrophobicContact CB-CE2 4.2Å; F85-F87 HydrophobicContact CB-CE1 3.76Å; F85-F87 HydrophobicContact CB-CE2 4.38Å; F85-F87 HydrophobicContact CB-CZ 3.53Å |
| 86 | N | 64 | Low | 59.1 | Low | 103 Ų | 103 | 63 Ų | 63 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.1 | 178.9 | -75 | -59.8 | 0 | 0 | 0 | 110.2 | Q77 | Q77-N86 WeakPolarHBondContact CB-OD1 3.19Å; Q77-N86 VanDerWaalsContact CG-OD1 3.23Å; Q77-N86 WeakPolarHBondContact CG-OD1 3.37Å |
| 87 | F | 59 | Low | 58.7 | Low | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.3 | 174.3 | -35.2 | -68.3 | 0 | 0 | 0 | 109.3 | I38 Y52 R75 V76 L78 F85 | I38-F87 HydrophobicContact CD1-CD1 4.15Å; I38-F87 HydrophobicContact CD1-CD2 3.64Å; I38-F87 HydrophobicContact CD1-CE1 3.87Å; I38-F87 HydrophobicContact CD1-CE2 3.32Å; I38-F87 HydrophobicContact CD1-CG 4.04Å; I38-F87 HydrophobicContact CD1-CZ 3.45Å; I38-F87 VanDerWaalsContact CD1-CZ 3.45Å; Y52-F87 HydrophobicContact CE2-CE1 4.11Å; R75-F87 CarbonylContact C-O 3.56Å; R75-F87 VanDerWaalsContact CA-O 3.31Å; R75-F87 WeakPolarHBondContact CA-O 3.45Å; V76-F87 HydrophobicContact CB-CD2 4.17Å; V76-F87 HydrophobicContact CG1-CD2 4.18Å; V76-F87 PolarHBondContact N-O 2.63Å; V76-F87 VanDerWaalsContact O-CD2 3.25Å; V76-F87 WeakPolarHBondContact O-CD2 3.35Å; V76-F87 PolarHBondContact O-N 2.75Å; L78-F87 HydrophobicContact CB-CE2 3.66Å; L78-F87 HydrophobicContact CB-CZ 4.17Å; L78-F87 HydrophobicContact CD2-CE2 4.37Å; L78-F87 HydrophobicContact CD2-CZ 4.37Å; F85-F87 HydrophobicContact CB-CE1 3.76Å; F85-F87 HydrophobicContact CB-CE2 4.38Å; F85-F87 HydrophobicContact CB-CZ 3.53Å |
| 88 | V | 57 | Low | 58 | Low | 110 Ų | 110 | 63.5 Ų | 63.5 | 67% | 0.667 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 106.9 | 169.1 | -171.2 | 0 | 0 | 0 | 0 | 107.5 | R75 | R75-V88 HydrophobicContact CG-CG1 4.48Å; R75-V88 HydrophobicContact CG-CG2 4.22Å |
| 89 | L | 54.9 | Low | 57.6 | Low | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | trans | -95 | 138 | 171.8 | -68.7 | -177.6 | 0 | 0 | 0 | 109.2 | F25 I47 G74 V76 L91 | F25-L89 HydrophobicContact CB-CD1 4.05Å; F25-L89 HydrophobicContact CD1-CD1 3.58Å; F25-L89 HydrophobicContact CD2-CD1 4.37Å; F25-L89 HydrophobicContact CE1-CD1 4.07Å; F25-L89 HydrophobicContact CG-CD1 3.75Å; I47-L89 HydrophobicContact CD1-CD2 4.37Å; G74-L89 CarbonylContact C-O 3.55Å; G74-L89 PolarHBondContact O-N 2.86Å; V76-L89 HydrophobicContact CG2-CD1 3.83Å; V76-L89 HydrophobicContact CG2-CG 4.24Å; L89-L91 HydrophobicContact CB-CD2 3.84Å; L89-L91 HydrophobicContact CB-CG 3.85Å; L89-L91 HydrophobicContact CD1-CD2 4.17Å; L89-L91 PolarHBondContact O-N 2.9Å | ||
| 90 | P | 51.1 | Low | 57.4 | Low | 87 Ų | 87 | 63.2 Ų | 63.2 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | trans | -73.6 | 73.7 | 169.8 | 31.5 | -34.1 | 0 | 0 | 0 | 109.4 | I42 I47 P92 | I42-P90 WeakPolarHBondContact CD1-O 3.48Å; I47-P90 HydrophobicContact CD1-CG 4.4Å; P90-P92 WeakPolarHBondContact O-CD 3.1Å | ||
| 91 | L | 47.3 | Very low | 57 | Low | 35 Ų | 35 | 63.6 Ų | 63.6 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | trans | -83.4 | 115.5 | 173.4 | -53.6 | -179.6 | 0 | 0 | 0 | 109 | F25 I42 V71 L89 | F25-L91 HydrophobicContact CD1-CD2 4.45Å; I42-L91 HydrophobicContact CD1-CD2 3.92Å; V71-L91 HydrophobicContact CG1-CD1 3.74Å; L89-L91 HydrophobicContact CB-CD2 3.84Å; L89-L91 HydrophobicContact CB-CG 3.85Å; L89-L91 HydrophobicContact CD1-CD2 4.17Å; L89-L91 PolarHBondContact O-N 2.9Å | ||
| 92 | P | 47.7 | Very low | 56.4 | Low | 76 Ų | 76 | 63 Ų | 63 | 49% | 0.494 | 36% | 0.355 | S | S | . | . | trans | -59 | 153 | 161.8 | -19.3 | 33.7 | 0 | 0 | 0 | 109.5 | P90 R94 | P90-P92 WeakPolarHBondContact O-CD 3.1Å; P92-R94 PolarHBondContact O-N 2.87Å | ||
| 93 | A | 46.7 | Very low | 55.9 | Low | 113 Ų | 113 | 56.9 Ų | 56.9 | 93% | 0.934 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -66.3 | 17.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 94 | R | 49.7 | Very low | 55.3 | Low | 192 Ų | 192 | 55.9 Ų | 55.9 | 73% | 0.725 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 133.5 | 173.1 | -68 | -173.7 | 179.2 | -177.7 | -0.4 | 110.5 | P92 | P92-R94 PolarHBondContact O-N 2.87Š|
| 95 | P | 55.1 | Low | 54.8 | Low | 45 Ų | 45 | 54.1 Ų | 54.1 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 164.7 | -178.7 | 29 | -35.3 | 0 | 0 | 0 | 112.7 | A121 | P95-A121 HydrophobicContact CB-CB 4.02Å; P95-A121 HydrophobicContact CG-CB 3.93Å |
| 96 | I | 59.3 | Low | 54.6 | Low | 37 Ų | 37 | 55.8 Ų | 55.8 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 130.5 | 168.7 | -64.3 | 169.7 | 0 | 0 | 0 | 107.9 | F16 Y17 F25 V71 | F16-I96 HydrophobicContact CB-CD1 4.3Å; F16-I96 HydrophobicContact CB-CG2 4.15Å; F16-I96 HydrophobicContact CD1-CD1 4.49Å; F16-I96 HydrophobicContact CD1-CG2 4.2Å; Y17-I96 CarbonylContact O-C 3.54Å; Y17-I96 WeakPolarHBondContact O-CA 3.18Å; Y17-I96 WeakPolarHBondContact O-CG2 3.47Å; F25-I96 HydrophobicContact CE1-CD1 3.89Å; F25-I96 HydrophobicContact CZ-CD1 4.32Å; V71-I96 HydrophobicContact CB-CD1 4.2Å; V71-I96 HydrophobicContact CG1-CD1 4.02Å; V71-I96 HydrophobicContact CG2-CD1 3.86Å |
| 97 | T | 55.8 | Low | 53.8 | Low | 43 Ų | 43 | 53.4 Ų | 53.4 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | trans | -109.9 | -16.2 | -174.1 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | Y17 R18 G19 Y123 C124 L125 | Y17-T97 PolarHBondContact O-N 2.84Å; Y17-T97 PolarHBondContact O-OG1 2.95Å; R18-T97 VanDerWaalsContact C-OG1 3.29Å; G19-T97 WeakPolarHBondContact CA-OG1 3.42Å; G19-T97 PolarHBondContact N-OG1 3.06Å; G19-T97 VanDerWaalsContact N-OG1 3.16Å; T97-Y123 VanDerWaalsContact O-O 3.08Å; T97-C124 WeakPolarHBondContact O-CA 3.3Å; T97-L125 PolarHBondContact O-N 3.37Å | ||
| 98 | M | 54.5 | Low | 53.6 | Low | 29 Ų | 29 | 58 Ų | 58 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 144.5 | -179.9 | 175.5 | 173 | 67.6 | 0 | 0 | 110.7 | Y17 V100 L125 | Y17-M98 HydrophobicContact CD1-CE 3.86Å; Y17-M98 HydrophobicContact CD2-CE 3.72Å; Y17-M98 HydrophobicContact CE1-CE 4.1Å; Y17-M98 HydrophobicContact CE2-CE 3.98Å; Y17-M98 HydrophobicContact CG-CE 3.67Å; Y17-M98 PolarHBondContact N-O 3.16Å; M98-V100 HydrophobicContact CE-CG2 4.03Å; M98-V100 HydrophobicContact CG-CG2 4Å; M98-V100 HydrophobicContact SD-CG2 4.01Å; M98-L125 WeakPolarHBondContact CA-O 3.23Å; M98-L125 HydrophobicContact CG-CB 4.29Å; M98-L125 WeakPolarHBondContact CG-O 3.35Å |
| 99 | A | 60.1 | Low | 53.5 | Low | 12 Ų | 12 | 56.8 Ų | 56.8 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E15 F16 L125 V126 R127 | E15-A99 CarbonylContact O-C 2.94Å; E15-A99 VanDerWaalsContact O-CA 3.31Å; E15-A99 WeakPolarHBondContact O-CA 3.36Å; F16-A99 HydrophobicContact CD1-CB 3.86Å; F16-A99 HydrophobicContact CE1-CB 3.86Å; A99-L125 PolarHBondContact N-O 3.14Å; A99-V126 WeakPolarHBondContact O-CA 3.31Å; A99-R127 PolarHBondContact O-N 3.17Å; A99-R127 VanDerWaalsContact O-N 3.13Å |
| 100 | V | 61.7 | Low | 53.5 | Low | 10 Ų | 10 | 58.1 Ų | 58.1 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.7 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | E15 Y17 M98 R127 V129 | E15-V100 HydrophobicContact CB-CB 4.32Å; E15-V100 PolarHBondContact N-O 3.28Å; E15-V100 PolarHBondContact O-N 3.12Å; Y17-V100 HydrophobicContact CD2-CG2 4.15Å; Y17-V100 HydrophobicContact CE2-CB 4.18Å; Y17-V100 HydrophobicContact CE2-CG2 3.6Å; M98-V100 HydrophobicContact CE-CG2 4.03Å; M98-V100 HydrophobicContact CG-CG2 4Å; M98-V100 HydrophobicContact SD-CG2 4.01Å; V100-R127 HydrophobicContact CG2-CB 4.38Å; V100-V129 HydrophobicContact CG1-CG2 4.06Å |
| 101 | V | 56.7 | Low | 53.8 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.9 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | M1 L14 F105 R127 V129 | M1-V101 HydrophobicContact CE-CG1 3.9Å; M1-V101 HydrophobicContact SD-CG1 4.29Å; M1-V101 HydrophobicContact SD-CG2 4.24Å; L14-V101 HydrophobicContact CD2-CG2 3.94Å; L14-V101 HydrophobicContact CG-CG2 4.25Å; V101-F105 HydrophobicContact CG1-CD2 4.07Å; V101-F105 HydrophobicContact CG1-CE2 4.29Å; V101-R127 PolarHBondContact N-O 3.02Å; V101-V129 PolarHBondContact O-N 3.21Å |
| 102 | N | 54 | Low | 54.2 | Low | 44 Ų | 44 | 59.3 Ų | 59.3 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.6 | -172.3 | -167.8 | -8.4 | 0 | 0 | 0 | 110.2 | Y13 V129 | Y13-N102 PolarHBondContact N-O 3.37Å; Y13-N102 PolarHBondContact O-N 2.9Å; Y13-N102 VanDerWaalsContact O-O 3.05Å; N102-V129 PolarHBondContact OD1-O 3.43Å |
| 103 | G | 52.2 | Low | 54.5 | Low | 27 Ų | 27 | 65.2 Ų | 65.2 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.2 | 173.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F105 | G103-F105 VanDerWaalsContact C-N 3.33Å; G103-F105 WeakPolarHBondContact O-CD2 3.41Å; G103-F105 PolarHBondContact O-N 3.27Å |
| 104 | D | 51.9 | Low | 54.6 | Low | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -83.6 | 66.9 | -166.4 | -65.3 | -64.3 | 0 | 0 | 0 | 113.9 | A6 F9 | A6-D104 HydrophobicContact CB-CB 4.22Å; A6-D104 VanDerWaalsContact CB-O 3.28Å; A6-D104 WeakPolarHBondContact CB-O 3.44Å; A6-D104 PolarHBondContact N-O 2.97Å; F9-D104 HydrophobicContact CD2-CB 3.77Å; F9-D104 WeakPolarHBondContact CD2-O 3.49Å; F9-D104 HydrophobicContact CE2-CB 3.99Å; F9-D104 WeakPolarHBondContact CE2-O 3.05Å |
| 105 | F | 53.1 | Low | 54.3 | Low | 23 Ų | 23 | 61.3 Ų | 61.3 | 10% | 0.101 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.8 | 178.1 | -47.5 | -68.7 | 0 | 0 | 0 | 112.8 | A3 A4 L5 F9 T12 F65 V101 G103 L107 | A3-F105 HydrophobicContact CB-CB 4.35Å; A4-F105 WeakPolarHBondContact O-CA 3.29Å; L5-F105 HydrophobicContact CD2-CD1 4.15Å; L5-F105 HydrophobicContact CD2-CE1 3.88Å; F9-F105 HydrophobicContact CE2-CD1 4.08Å; F9-F105 AromaticContact CE2-CE1 3.53Å; F9-F105 HydrophobicContact CE2-CE1 3.53Å; F9-F105 AromaticContact CE2-CZ 3.93Å; F9-F105 HydrophobicContact CE2-CZ 3.93Å; F9-F105 AromaticContact CZ-CE1 3.64Å; F9-F105 HydrophobicContact CZ-CE1 3.64Å; F9-F105 AromaticContact CZ-CZ 3.78Å; F9-F105 HydrophobicContact CZ-CZ 3.78Å; T12-F105 HydrophobicContact CG2-CE1 4.49Å; T12-F105 HydrophobicContact CG2-CE2 4.31Å; T12-F105 HydrophobicContact CG2-CZ 3.62Å; T12-F105 WeakPolarHBondContact OG1-CZ 3.48Å; F65-F105 HydrophobicContact CE1-CD1 4.49Å; F65-F105 HydrophobicContact CZ-CD1 4.04Å; F65-F105 HydrophobicContact CZ-CE1 4.15Å; V101-F105 HydrophobicContact CG1-CD2 4.07Å; V101-F105 HydrophobicContact CG1-CE2 4.29Å; G103-F105 VanDerWaalsContact C-N 3.33Å; G103-F105 WeakPolarHBondContact O-CD2 3.41Å; G103-F105 PolarHBondContact O-N 3.27Å; F105-L107 PolarHBondContact O-N 2.89Å |
| 106 | N | 54 | Low | 53.2 | Low | 75 Ų | 75 | 64.7 Ų | 64.7 | 40% | 0.401 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 98.3 | 148.8 | -71 | -28.2 | 0 | 0 | 0 | 107.1 | A3 A4 Y108 | A3-N106 CarbonylContact C-O 2.74Å; A3-N106 VanDerWaalsContact CA-O 3.23Å; A3-N106 WeakPolarHBondContact CA-O 3.28Å; A4-N106 PolarHBondContact N-O 2.78Å; A4-N106 PolarHBondContact O-N 3.14Å; N106-Y108 HydrophobicContact CB-CE2 3.75Å; N106-Y108 VanDerWaalsContact O-CD2 3.22Å; N106-Y108 WeakPolarHBondContact O-CD2 3.29Å; N106-Y108 VanDerWaalsContact O-CE2 3.27Å; N106-Y108 WeakPolarHBondContact O-CE2 3.46Å; N106-Y108 PolarHBondContact O-N 2.89Å |
| 107 | L | 47.6 | Very low | 52 | Low | 53 Ų | 53 | 74 Ų | 74 | 28% | 0.277 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 107.3 | 175.2 | -177.2 | 72.4 | 0 | 0 | 0 | 109.3 | M1 F105 A110 T128 | M1-L107 HydrophobicContact CE-CD1 3.84Å; M1-L107 HydrophobicContact CG-CD1 3.69Å; M1-L107 HydrophobicContact SD-CD1 3.93Å; F105-L107 PolarHBondContact O-N 2.89Å; L107-A110 HydrophobicContact CD1-CB 4.37Å; L107-A110 HydrophobicContact CD2-CB 4.2Å; L107-T128 HydrophobicContact CD2-CG2 4.3Å |
| 108 | Y | 54.9 | Low | 50.6 | Low | 129 Ų | 129 | 75.2 Ų | 75.2 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -37 | 177.6 | -63.1 | -85.7 | 0 | 0 | 0 | 111.5 | E2 A4 M64 N106 | E2-Y108 PolarHBondContact O-N 2.81Å; A4-Y108 HydrophobicContact CB-CE2 3.69Å; M64-Y108 HydrophobicContact CG-CD2 3.9Å; M64-Y108 HydrophobicContact CG-CE2 3.74Å; M64-Y108 HydrophobicContact SD-CD1 4.36Å; M64-Y108 HydrophobicContact SD-CD2 3.72Å; M64-Y108 HydrophobicContact SD-CE2 3.97Å; M64-Y108 HydrophobicContact SD-CG 3.95Å; N106-Y108 HydrophobicContact CB-CE2 3.75Å; N106-Y108 VanDerWaalsContact O-CD2 3.22Å; N106-Y108 WeakPolarHBondContact O-CD2 3.29Å; N106-Y108 VanDerWaalsContact O-CE2 3.27Å; N106-Y108 WeakPolarHBondContact O-CE2 3.46Å; N106-Y108 PolarHBondContact O-N 2.89Å |
| 109 | K | 56 | Low | 49.5 | Very low | 84 Ų | 84 | 83 Ų | 83 | 37% | 0.365 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 130.8 | -177.4 | -156.8 | -176.1 | 179.2 | -159.2 | 0 | 112.6 | M1 E2 E111 | M1-K109 CarbonylContact C-O 3.54Å; M1-K109 WeakPolarHBondContact CA-O 3.36Å; E2-K109 HydrophobicContact CB-CB 3.98Å; E2-K109 HydrophobicContact CG-CB 4.43Å; E2-K109 PolarHBondContact N-O 2.95Å; E2-K109 PolarHBondContact O-N 2.97Å; E2-K109 WeakPolarHBondContact OE1-CD 3.29Å; E2-K109 WeakPolarHBondContact OE2-CB 3.41Å; E2-K109 WeakPolarHBondContact OE2-CD 3.44Å; K109-E111 WeakPolarHBondContact CE-OE1 3.31Å; K109-E111 IonicContact NZ-OE1 2.71Å; K109-E111 PolarHBondContact NZ-OE1 2.95Å |
| 110 | A | 53.8 | Low | 48.1 | Very low | 44 Ų | 44 | 89.6 Ų | 89.6 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | trans | -126.1 | 134.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L107 V126 | L107-A110 HydrophobicContact CD1-CB 4.37Å; L107-A110 HydrophobicContact CD2-CB 4.2Å; A110-V126 HydrophobicContact CB-CG1 4.07Å | ||
| 111 | E | 58.3 | Low | 46.4 | Very low | 96 Ų | 96 | 90 Ų | 90 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | trans | -133 | 132.9 | 168.8 | -72.8 | -174.6 | -139.9 | 0 | 0 | 107.4 | K109 R113 | K109-E111 WeakPolarHBondContact CE-OE1 3.31Å; K109-E111 IonicContact NZ-OE1 2.71Å; K109-E111 PolarHBondContact NZ-OE1 2.95Å; E111-R113 IonicContact OE1-NH2 2.63Å; E111-R113 IonicContact OE2-CZ 3.21Å; E111-R113 IonicContact OE2-NE 2.74Å; E111-R113 PolarHBondContact OE2-NE 3.03Å; E111-R113 IonicContact OE2-NH2 3.99Å; E111-R113 PolarHBondContact OE2-NH2 3.25Å | ||
| 112 | A | 55.3 | Low | 45.2 | Very low | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | trans | -111 | 134.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | C124 V126 | A112-C124 HydrophobicContact CB-CB 4.3Å; A112-V126 HydrophobicContact CB-CG2 4.25Å | ||
| 113 | R | 53.1 | Low | 44 | Very low | 200 Ų | 200 | 103.8 Ų | 103.8 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | trans | -132.5 | 111.8 | 179.4 | -64.2 | -171 | -174.4 | -156.4 | 2.7 | 109.9 | E111 | E111-R113 IonicContact OE1-NH2 2.63Å; E111-R113 IonicContact OE2-CZ 3.21Å; E111-R113 IonicContact OE2-NE 2.74Å; E111-R113 PolarHBondContact OE2-NE 3.03Å; E111-R113 IonicContact OE2-NH2 3.99Å; E111-R113 PolarHBondContact OE2-NH2 3.25Å | ||
| 114 | T | 50.1 | Low | 42.9 | Very low | 83 Ų | 83 | 104.6 Ų | 104.6 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | trans | -80.5 | 116.6 | 175.9 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | S116 C118 | T114-S116 VanDerWaalsContact C-N 3.27Å; T114-S116 PolarHBondContact O-N 2.9Å; T114-C118 HydrophobicContact CG2-CB 4.46Å | ||
| 115 | L | 42.9 | Very low | 41.9 | Very low | 140 Ų | 140 | 106.8 Ų | 106.8 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | trans | -79.1 | 74.6 | 179.1 | -73.3 | 168.8 | 0 | 0 | 0 | 111.7 | R117 | L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.43Å | ||
| 116 | S | 32.9 | Very low | 41 | Very low | 116 Ų | 116 | 108.2 Ų | 108.2 | 81% | 0.811 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 49.4 | 8.8 | 148.9 | 61.7 | 0 | 0 | 0 | 0 | 121.7 | T114 | T114-S116 VanDerWaalsContact C-N 3.27Å; T114-S116 PolarHBondContact O-N 2.9Å |
| 117 | R | 32.7 | Very low | 39.9 | Very low | 232 Ų | 232 | 112.1 Ų | 112.1 | 88% | 0.875 | 55% | 0.552 | S | S | * | * | trans | -126.7 | 6.3 | 175.8 | -74.6 | -167.4 | 174.1 | -170.6 | -1.2 | 116.7 | L115 | L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.43Å | ||
| 118 | C | 27.9 | Very low | 39.1 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 47% | 0.473 | 57% | 0.565 | S | S | . | * | trans | -101.2 | 91 | 170.9 | -69.3 | 0 | 0 | 0 | 0 | 110.2 | T114 N120 A121 | T114-C118 HydrophobicContact CG2-CB 4.46Å; C118-N120 PolarHBondContact O-N 3.2Å; C118-A121 HydrophobicContact CB-CB 4.06Å | ||
| 119 | Q | 29.5 | Very low | 37.9 | Very low | 192 Ų | 192 | 110.6 Ų | 110.6 | 90% | 0.897 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -21.1 | -175.2 | -75.5 | 177.1 | -51.9 | 0 | 0 | 114.6 | ||
| 120 | N | 31.2 | Very low | 36.5 | Very low | 151 Ų | 151 | 114.2 Ų | 114.2 | 81% | 0.807 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 28.4 | -172.6 | -59.8 | 5 | 0 | 0 | 0 | 113.2 | C118 | C118-N120 PolarHBondContact O-N 3.2Š|
| 121 | A | 26.4 | Very low | 35.2 | Very low | 18 Ų | 18 | 118 Ų | 118 | 15% | 0.149 | 58% | 0.583 | C | S | . | * | trans | -119.1 | 69.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P95 C118 Y123 | P95-A121 HydrophobicContact CB-CB 4.02Å; P95-A121 HydrophobicContact CG-CB 3.93Å; C118-A121 HydrophobicContact CB-CB 4.06Å; A121-Y123 VanDerWaalsContact C-N 3.31Å; A121-Y123 PolarHBondContact O-N 3.08Å | ||
| 122 | E | 30.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | trans | -59.7 | -35.5 | -167.8 | -63.6 | -172.3 | 122.8 | 0 | 0 | 114 | ||||
| 123 | Y | 29.3 | Very low | 32.1 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | trans | -139.1 | 143.3 | 179.5 | -54.8 | -74.3 | 0 | 0 | 0 | 111.7 | T97 A121 | T97-Y123 VanDerWaalsContact O-O 3.08Å; A121-Y123 VanDerWaalsContact C-N 3.31Å; A121-Y123 PolarHBondContact O-N 3.08Å | ||
| 124 | C | 29.4 | Very low | 30.7 | Very low | 44 Ų | 44 | 117.3 Ų | 117.3 | 30% | 0.297 | 60% | 0.602 | S | S | . | * | trans | -116.1 | 93.2 | 165.6 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | T97 A112 | T97-C124 WeakPolarHBondContact O-CA 3.3Å; A112-C124 HydrophobicContact CB-CB 4.3Å | ||
| 125 | L | 31.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 121 Ų | 121 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.1 | -174.7 | -151.5 | 84.1 | 0 | 0 | 0 | 110.3 | T97 M98 A99 | T97-L125 PolarHBondContact O-N 3.37Å; M98-L125 WeakPolarHBondContact CA-O 3.23Å; M98-L125 HydrophobicContact CG-CB 4.29Å; M98-L125 WeakPolarHBondContact CG-O 3.35Å; A99-L125 PolarHBondContact N-O 3.14Å |
| 126 | V | 32.5 | Very low | 28.5 | Very low | 53 Ų | 53 | 125.3 Ų | 125.3 | 32% | 0.321 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 106.8 | 166.8 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | A99 A110 A112 | A99-V126 WeakPolarHBondContact O-CA 3.31Å; A110-V126 HydrophobicContact CB-CG1 4.07Å; A112-V126 HydrophobicContact CB-CG2 4.25Å |
| 127 | R | 31.1 | Very low | 28 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 59% | 0.589 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 109.2 | -178.7 | -155.1 | 176.1 | -169.2 | 180 | 3.3 | 110.1 | A99 V100 V101 V129 | A99-R127 PolarHBondContact O-N 3.17Å; A99-R127 VanDerWaalsContact O-N 3.13Å; V100-R127 HydrophobicContact CG2-CB 4.38Å; V101-R127 PolarHBondContact N-O 3.02Å; R127-V129 HydrophobicContact CG-CG2 4.32Å; R127-V129 PolarHBondContact O-N 3.25Å |
| 128 | T | 31.3 | Very low | 27.4 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 102.2 | 174.9 | -41 | 0 | 0 | 0 | 0 | 108.8 | L107 | L107-T128 HydrophobicContact CD2-CG2 4.3Å |
| 129 | V | 30.3 | Very low | 27 | Very low | 60 Ų | 60 | 125.9 Ų | 125.9 | 36% | 0.364 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 103.6 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | V100 V101 N102 R127 | V100-V129 HydrophobicContact CG1-CG2 4.06Å; V101-V129 PolarHBondContact O-N 3.21Å; N102-V129 PolarHBondContact OD1-O 3.43Å; R127-V129 HydrophobicContact CG-CG2 4.32Å; R127-V129 PolarHBondContact O-N 3.25Å |
| 130 | R | 26.3 | Very low | 26.6 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 60% | 0.604 | 64% | 0.635 | S | S | * | * | trans | -94.5 | 134.6 | 164.7 | -156.7 | 177 | -160.4 | 171.2 | 8.3 | 108.1 | D132 | R130-D132 PolarHBondContact O-N 3.03Š| ||
| 131 | N | 26.5 | Very low | 26 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 135.4 | 179.5 | -66.2 | -39.1 | 0 | 0 | 0 | 111.1 | I133 | N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.42Å |
| 132 | D | 24.6 | Very low | 25.6 | Very low | 171 Ų | 171 | 126 Ų | 126 | 91% | 0.914 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 7.5 | 173 | -62.9 | -30.8 | 0 | 0 | 0 | 120 | R130 | R130-D132 PolarHBondContact O-N 3.03Š|
| 133 | I | 24.5 | Very low | 25 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 55% | 0.554 | 67% | 0.671 | S | S | * | * | trans | -134 | 112.5 | 170 | -53.3 | -178.2 | 0 | 0 | 0 | 112.3 | N131 | N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.42Å | ||
| 134 | G | 22.4 | Very low | 24.6 | Very low | 53 Ų | 53 | 124 Ų | 124 | 55% | 0.546 | 67% | 0.672 | S | S | . | * | trans | -84 | 158.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 135 | D | 24.4 | Very low | 24.1 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 87% | 0.866 | 70% | 0.698 | S | S | * | * | trans | 65.3 | 92.3 | 165.9 | -52.9 | -27.9 | 0 | 0 | 0 | 118.3 | ||||
| 136 | Y | 22.3 | Very low | 23.5 | Very low | 230 Ų | 230 | 133.8 Ų | 133.8 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -124.5 | 121.5 | 150.4 | -109.7 | -85.7 | 0 | 0 | 0 | 109 | ||||
| 137 | V | 22.2 | Very low | 22.8 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -110.4 | 142.9 | 164 | 178 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 138 | S | 20.1 | Very low | 22.2 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -86.3 | 138 | -162.7 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 139 | Q | 20.8 | Very low | 21.5 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -157.8 | 109.5 | 144.2 | -115.3 | 169.4 | 23.5 | 0 | 0 | 114.7 | ||||
| 140 | I | 20.3 | Very low | 20.9 | Very low | 149 Ų | 149 | 145 Ų | 145 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 47.7 | 108.3 | 132.1 | -58.3 | 178.2 | 0 | 0 | 0 | 120 | ||||
| 141 | V | 18.4 | Very low | 20.6 | Very low | 137 Ų | 137 | 146 Ų | 146 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 53.1 | 113.9 | 137.8 | -174.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 142 | G | 18.6 | Very low | 20.1 | Very low | 77 Ų | 77 | 146.5 Ų | 146.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -145.1 | 132.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 143 | K | 19.2 | Very low | 19.9 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -95.2 | 168.4 | -178.6 | -88.4 | -174.1 | 176.8 | 179.5 | 0 | 112.3 | ||||
| 144 | S | 19.1 | Very low | 19.5 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 82 | 114.2 | 158.5 | 66.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 145 | N | 19.2 | Very low | 19.4 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | 48.6 | 84.3 | 127 | -54 | 0.6 | 0 | 0 | 0 | 118.6 | |||||
| 146 | M | 18.5 | Very low | 19.1 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 126.9 | 142.3 | -66.5 | -169.1 | -174.7 | 0 | 0 | 108.7 | ||
| 147 | R | 18.6 | Very low | 19 | Very low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 142.3 | 175.2 | -74.7 | -179.9 | 171.7 | 172.7 | -3.4 | 109.8 | L149 | R147-L149 PolarHBondContact O-N 3.44Š|
| 148 | S | 17.9 | Very low | 18.9 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.8 | 169.6 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 149 | L | 18 | Very low | 18.8 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -110.5 | 96 | 163 | -99.4 | 164.1 | 0 | 0 | 0 | 107.1 | R147 F151 | R147-L149 PolarHBondContact O-N 3.44Å; L149-F151 PolarHBondContact O-N 3.25Å | ||
| 150 | A | 17 | Very low | 18.7 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -78 | 115.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 151 | F | 19.2 | Very low | 18.7 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -109.6 | 84 | 164.8 | -80.1 | -79.1 | 0 | 0 | 0 | 109.5 | L149 T153 | L149-F151 PolarHBondContact O-N 3.25Å; F151-T153 PolarHBondContact O-N 3.41Å | ||
| 152 | V | 17.6 | Very low | 18.8 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 107 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 153 | T | 18.7 | Very low | 19 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 61% | 0.613 | 78% | 0.778 | S | S | * | * | trans | -116.8 | 111.1 | 165.8 | 26.7 | 0 | 0 | 0 | 0 | 108.8 | F151 Y155 | F151-T153 PolarHBondContact O-N 3.41Å; T153-Y155 WeakPolarHBondContact O-CD2 3.2Å; T153-Y155 PolarHBondContact O-N 3.34Å | ||
| 154 | E | 17.7 | Very low | 18.9 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | -76.7 | 112.4 | -178.7 | -172.8 | -167.1 | 166.6 | 0 | 0 | 110.1 | K156 | E154-K156 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact OE1-CE 3.22Å; E154-K156 WeakPolarHBondContact OE1-CE 3.07Å; E154-K156 IonicContact OE1-NZ 2.89Å | ||
| 155 | Y | 19.5 | Very low | 19 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -91.7 | 96.1 | 178.2 | -81.8 | -89.1 | 0 | 0 | 0 | 111.8 | T153 V157 | T153-Y155 WeakPolarHBondContact O-CD2 3.2Å; T153-Y155 PolarHBondContact O-N 3.34Å; Y155-V157 PolarHBondContact O-N 2.86Å | ||
| 156 | K | 17.8 | Very low | 19.2 | Very low | 162 Ų | 162 | 154 Ų | 154 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | trans | -75.4 | 112.4 | 166.7 | -78.9 | 178.4 | 178.5 | 163.2 | 0 | 110.7 | E154 N158 | E154-K156 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact OE1-CE 3.22Å; E154-K156 WeakPolarHBondContact OE1-CE 3.07Å; E154-K156 IonicContact OE1-NZ 2.89Å; K156-N158 PolarHBondContact O-N 2.98Å | ||
| 157 | V | 21.1 | Very low | 19.3 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -85.2 | 90.6 | 179 | -177 | 0 | 0 | 0 | 0 | 110.1 | Y155 | Y155-V157 PolarHBondContact O-N 2.86Š| ||
| 158 | N | 19.7 | Very low | 19.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -70.8 | 147.9 | 167.1 | -76.6 | -12.7 | 0 | 0 | 0 | 110.8 | K156 | K156-N158 PolarHBondContact O-N 2.98Š| ||
| 159 | G | 18.1 | Very low | 19.6 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | -99.6 | 161.7 | -156.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 160 | K | 19.6 | Very low | 19.7 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | 74.6 | 145 | 170.7 | -45.4 | -159.6 | 177.1 | 176.2 | 0 | 117.6 | ||||
| 161 | W | 19.9 | Very low | 19.9 | Very low | 145 Ų | 145 | 143 Ų | 143 | 55% | 0.549 | 72% | 0.721 | S | S | . | * | cis | -175.1 | 83.1 | -36 | -102.3 | 123.7 | 0 | 0 | 0 | 108.9 | R235 | W161-R235 VanDerWaalsContact CB-NH2 3.3Å; W161-R235 HydrophobicContact CD2-CG 3.96Å; W161-R235 HydrophobicContact CE3-CG 3.94Å; W161-R235 HydrophobicContact CH2-CG 4.08Å; W161-R235 HydrophobicContact CZ2-CG 4.11Å; W161-R235 HydrophobicContact CZ3-CG 3.99Å; W161-R235 PolarHBondContact O-NH2 2.8Å | ||
| 162 | K | 19.6 | Very low | 20 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | trans | -176.2 | 97.5 | 159.3 | -108.2 | 179.5 | -177.3 | -176.9 | 0 | 108.2 | ||||
| 163 | L | 22.3 | Very low | 20.2 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | -116.6 | 105.4 | -168.4 | -172.8 | 68.2 | 0 | 0 | 0 | 112.6 | R165 | L163-R165 HydrophobicContact CD2-CG 3.75Å; L163-R165 HydrophobicContact CG-CG 4.03Å; L163-R165 PolarHBondContact O-N 2.67Å | ||
| 164 | Q | 18.7 | Very low | 20.4 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | -65.8 | 123.2 | 150.6 | -79.9 | 174.4 | -60.4 | 0 | 0 | 107.9 | T166 | Q164-T166 PolarHBondContact O-N 2.69Å; Q164-T166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | R | 20.6 | Very low | 20.6 | Very low | 204 Ų | 204 | 147 Ų | 147 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -87 | 72 | 178 | -85.2 | -169.9 | 169.6 | -177.9 | -2.1 | 112.1 | L163 V167 | L163-R165 HydrophobicContact CD2-CG 3.75Å; L163-R165 HydrophobicContact CG-CG 4.03Å; L163-R165 PolarHBondContact O-N 2.67Å; R165-V167 HydrophobicContact CB-CG2 4.09Å; R165-V167 HydrophobicContact CG-CG2 4.42Å; R165-V167 PolarHBondContact O-N 3.34Å | ||
| 166 | T | 22.2 | Very low | 20.8 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | -84 | 87.6 | 160.1 | -52.1 | 0 | 0 | 0 | 0 | 108 | Q164 N168 | Q164-T166 PolarHBondContact O-N 2.69Å; Q164-T166 VanDerWaalsContact O-N 3.14Å; T166-N168 VanDerWaalsContact C-N 3.29Å; T166-N168 PolarHBondContact O-N 3.19Å | ||
| 167 | V | 22.2 | Very low | 21 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 60% | 0.6 | 74% | 0.742 | S | S | * | * | trans | -84.7 | 71.7 | -174 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | R165 M169 | R165-V167 HydrophobicContact CB-CG2 4.09Å; R165-V167 HydrophobicContact CG-CG2 4.42Å; R165-V167 PolarHBondContact O-N 3.34Å; V167-M169 HydrophobicContact CG1-CG 4.17Å; V167-M169 PolarHBondContact O-N 3.28Å | ||
| 168 | N | 21.3 | Very low | 21.1 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | trans | -71.5 | 88.2 | 175 | -72.4 | -11.2 | 0 | 0 | 0 | 110.4 | T166 T170 | T166-N168 VanDerWaalsContact C-N 3.29Å; T166-N168 PolarHBondContact O-N 3.19Å; N168-T170 PolarHBondContact O-N 2.83Å; N168-T170 PolarHBondContact O-OG1 3.03Å | ||
| 169 | M | 20.7 | Very low | 21.2 | Very low | 114 Ų | 114 | 146 Ų | 146 | 56% | 0.562 | 74% | 0.737 | S | S | * | * | trans | -72.8 | 76.6 | 171.5 | -71.1 | -169.1 | 68.2 | 0 | 0 | 111 | V167 V171 L221 | V167-M169 HydrophobicContact CG1-CG 4.17Å; V167-M169 PolarHBondContact O-N 3.28Å; M169-V171 PolarHBondContact O-N 2.81Å; M169-L221 HydrophobicContact SD-CD2 4.09Å | ||
| 170 | T | 21.2 | Very low | 21.4 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -83 | 94.8 | -179.3 | -43.3 | 0 | 0 | 0 | 0 | 110.7 | N168 P172 | N168-T170 PolarHBondContact O-N 2.83Å; N168-T170 PolarHBondContact O-OG1 3.03Å; T170-P172 WeakPolarHBondContact O-CD 3.46Å | ||
| 171 | V | 20.9 | Very low | 21.6 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -93.2 | 112.5 | 173 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | M169 I173 | M169-V171 PolarHBondContact O-N 2.81Å; V171-I173 PolarHBondContact O-N 2.64Å; V171-I173 VanDerWaalsContact O-N 3.15Å | ||
| 172 | P | 21.5 | Very low | 21.8 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -79.9 | 100.9 | -173.2 | 30.9 | -34.4 | 0 | 0 | 0 | 112.1 | T170 | T170-P172 WeakPolarHBondContact O-CD 3.46Š| ||
| 173 | I | 21.6 | Very low | 22 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | trans | -123.1 | 142.8 | 160.7 | -61 | -177.4 | 0 | 0 | 0 | 108.6 | V171 | V171-I173 PolarHBondContact O-N 2.64Å; V171-I173 VanDerWaalsContact O-N 3.15Å | ||
| 174 | Q | 21.3 | Very low | 22.1 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -67.2 | 147.6 | -165.2 | -60.8 | -179.4 | -3.9 | 0 | 0 | 114.2 | ||
| 175 | K | 23.7 | Very low | 22.3 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | trans | 65.7 | 68.3 | 161.4 | -63.4 | 173.8 | -179.7 | 173.4 | 0 | 116.9 | ||||
| 176 | G | 21.9 | Very low | 22.5 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | trans | -131.8 | 140.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | R | 22.6 | Very low | 22.6 | Very low | 234 Ų | 234 | 124 Ų | 124 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -75.4 | 126.8 | 174.7 | -82.9 | -174.5 | 173.5 | 179 | -2.6 | 109.7 | ||||
| 178 | M | 23.4 | Very low | 22.7 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | -74.6 | 137.4 | 165.9 | -57 | -167.7 | -53.3 | 0 | 0 | 109.7 | ||||
| 179 | F | 22.2 | Very low | 22.9 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | trans | -99.9 | 109.7 | 167 | -69.6 | -89.2 | 0 | 0 | 0 | 108.4 | V181 | F179-V181 PolarHBondContact O-N 2.82Š| ||
| 180 | N | 23 | Very low | 23.2 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 68% | 0.684 | 66% | 0.659 | S | S | * | * | trans | -78.8 | 86.6 | -179.8 | -76.5 | 1.1 | 0 | 0 | 0 | 110.6 | T182 | N180-T182 PolarHBondContact O-N 3.21Å; N180-T182 PolarHBondContact O-OG1 2.68Å | ||
| 181 | V | 22.7 | Very low | 23.4 | Very low | 91 Ų | 91 | 121 Ų | 121 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | trans | -73.9 | 91.8 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | F179 A183 V194 | F179-V181 PolarHBondContact O-N 2.82Å; V181-A183 PolarHBondContact O-N 2.72Å; V181-A183 VanDerWaalsContact O-N 3.08Å; V181-V194 HydrophobicContact CG1-CG2 4.37Å | ||
| 182 | T | 23.7 | Very low | 23.7 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 85.5 | -178.8 | -47.7 | 0 | 0 | 0 | 0 | 110.4 | N180 V184 | N180-T182 PolarHBondContact O-N 3.21Å; N180-T182 PolarHBondContact O-OG1 2.68Å; T182-V184 HydrophobicContact CG2-CG2 3.85Å; T182-V184 PolarHBondContact O-N 3.33Å |
| 183 | A | 23.6 | Very low | 23.9 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 78.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V181 L185 V190 | V181-A183 PolarHBondContact O-N 2.72Å; V181-A183 VanDerWaalsContact O-N 3.08Å; A183-L185 PolarHBondContact O-N 3.27Å; A183-V190 HydrophobicContact CB-CG1 3.99Å |
| 184 | V | 24.7 | Very low | 24.1 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.3 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | T182 K186 K191 | T182-V184 HydrophobicContact CG2-CG2 3.85Å; T182-V184 PolarHBondContact O-N 3.33Å; V184-K186 VanDerWaalsContact C-N 3.26Å; V184-K186 HydrophobicContact CG1-CB 4.3Å; V184-K186 PolarHBondContact O-N 3.36Å; V184-K191 PolarHBondContact O-N 3.46Å |
| 185 | L | 24 | Very low | 24.4 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 63% | 0.634 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 70.1 | -179 | -151.9 | 158.6 | 0 | 0 | 0 | 110 | A183 V190 | A183-L185 PolarHBondContact O-N 3.27Å; L185-V190 HydrophobicContact CD1-CG2 4.22Å; L185-V190 HydrophobicContact CG-CG2 4.02Å |
| 186 | K | 24.2 | Very low | 24.5 | Very low | 134 Ų | 134 | 106.1 Ų | 106.1 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.5 | -178.9 | -169.4 | 161.9 | -172.7 | 176.3 | 0 | 110.9 | V184 G188 K189 | V184-K186 VanDerWaalsContact C-N 3.26Å; V184-K186 HydrophobicContact CG1-CB 4.3Å; V184-K186 PolarHBondContact O-N 3.36Å; K186-G188 PolarHBondContact O-N 2.82Å; K186-K189 CarbonylContact C-O 3.48Å; K186-K189 PolarHBondContact N-O 2.85Å; K186-K189 VanDerWaalsContact N-O 3.08Å; K186-K189 PolarHBondContact O-N 3.03Å; K186-K189 VanDerWaalsContact O-N 3.07Å |
| 187 | D | 24.4 | Very low | 24.5 | Very low | 72 Ų | 72 | 110.2 Ų | 110.2 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 59.9 | 50.3 | 164.5 | -47.5 | -18.2 | 0 | 0 | 0 | 114.4 | K189 E401 K404 | D187-K189 PolarHBondContact O-N 3.37Å; D187-E401 WeakPolarHBondContact CA-OE1 3.26Å; D187-E401 HydrophobicContact CB-CG 4.17Å; D187-E401 VanDerWaalsContact CB-OE1 3.25Å; D187-E401 WeakPolarHBondContact CB-OE1 3.37Å; D187-K404 IonicContact OD1-NZ 2.62Å; D187-K404 PolarHBondContact OD1-NZ 2.87Å |
| 188 | G | 24.4 | Very low | 24.7 | Very low | 61 Ų | 61 | 102.1 Ų | 102.1 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | -5.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K186 | K186-G188 PolarHBondContact O-N 2.82Š|
| 189 | K | 25 | Very low | 24.7 | Very low | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.4 | -178.9 | -63 | -175.4 | 179.5 | -176 | 0 | 110.3 | K186 D187 K191 | K186-K189 CarbonylContact C-O 3.48Å; K186-K189 PolarHBondContact N-O 2.85Å; K186-K189 VanDerWaalsContact N-O 3.08Å; K186-K189 PolarHBondContact O-N 3.03Å; K186-K189 VanDerWaalsContact O-N 3.07Å; D187-K189 PolarHBondContact O-N 3.37Å; K189-K191 PolarHBondContact O-N 3.39Å |
| 190 | V | 28 | Very low | 24.6 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 98.7 | 167.4 | 179 | 0 | 0 | 0 | 0 | 107.3 | A183 L185 A192 | A183-V190 HydrophobicContact CB-CG1 3.99Å; L185-V190 HydrophobicContact CD1-CG2 4.22Å; L185-V190 HydrophobicContact CG-CG2 4.02Å; V190-A192 HydrophobicContact CG1-CB 4.27Å; V190-A192 PolarHBondContact O-N 3.26Å |
| 191 | K | 24 | Very low | 24.7 | Very low | 100 Ų | 100 | 103.4 Ų | 103.4 | 44% | 0.435 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 72.6 | 174.9 | -154.8 | -174.5 | -170.9 | -165.1 | 0 | 108.5 | V184 K189 T193 I198 | V184-K191 PolarHBondContact O-N 3.46Å; K189-K191 PolarHBondContact O-N 3.39Å; K191-T193 PolarHBondContact O-N 2.64Å; K191-T193 VanDerWaalsContact O-N 3.08Å; K191-I198 VanDerWaalsContact CE-CD1 3.46Å; K191-I198 HydrophobicContact CG-CG1 4.39Å; K191-I198 HydrophobicContact CG-CG2 3.99Å |
| 192 | A | 27.4 | Very low | 24.7 | Very low | 40 Ų | 40 | 103.6 Ų | 103.6 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67 | 104.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V190 | V190-A192 HydrophobicContact CG1-CB 4.27Å; V190-A192 PolarHBondContact O-N 3.26Å |
| 193 | T | 25.5 | Very low | 24.8 | Very low | 37 Ų | 37 | 105 Ų | 105 | 23% | 0.227 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.6 | 165.2 | 36.3 | 0 | 0 | 0 | 0 | 109.7 | K191 Q197 I198 | K191-T193 PolarHBondContact O-N 2.64Å; K191-T193 VanDerWaalsContact O-N 3.08Å; T193-Q197 WeakPolarHBondContact CA-O 3.13Å; T193-I198 HydrophobicContact CG2-CD1 4.22Å; T193-I198 HydrophobicContact CG2-CG1 3.66Å |
| 194 | V | 26.5 | Very low | 25 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | B | Isolated β-bridge | trans | -101.5 | 119.7 | 161.5 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | V181 N196 Q197 | V181-V194 HydrophobicContact CG1-CG2 4.37Å; V194-N196 PolarHBondContact O-N 3.15Å; V194-N196 VanDerWaalsContact O-N 3.1Å; V194-Q197 PolarHBondContact N-O 2.88Å; V194-Q197 PolarHBondContact O-N 2.9Å |
| 195 | D | 28.7 | Very low | 24.9 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 42.2 | 47.4 | -175.7 | -61.9 | -18 | 0 | 0 | 0 | 113.6 | Q197 | D195-Q197 VanDerWaalsContact C-N 3.28Å; D195-Q197 PolarHBondContact O-N 2.66Å |
| 196 | N | 25.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 103 Ų | 103 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 14.2 | -178.6 | -69.4 | -16.8 | 0 | 0 | 0 | 117.5 | V194 | V194-N196 PolarHBondContact O-N 3.15Å; V194-N196 VanDerWaalsContact O-N 3.1Å |
| 197 | Q | 21.8 | Very low | 24.9 | Very low | 155 Ų | 155 | 104.8 Ų | 104.8 | 72% | 0.724 | 57% | 0.567 | S | S | * | * | B | Isolated β-bridge | trans | -98.9 | 149.1 | 169.4 | -63.2 | -163.4 | -4.3 | 0 | 0 | 112.9 | T193 V194 D195 | T193-Q197 WeakPolarHBondContact CA-O 3.13Å; V194-Q197 PolarHBondContact N-O 2.88Å; V194-Q197 PolarHBondContact O-N 2.9Å; D195-Q197 VanDerWaalsContact C-N 3.28Å; D195-Q197 PolarHBondContact O-N 2.66Å |
| 198 | I | 25.9 | Very low | 25 | Very low | 64 Ų | 64 | 105.2 Ų | 105.2 | 33% | 0.328 | 57% | 0.566 | S | S | . | * | trans | -134.6 | 136.8 | -166.5 | -61.5 | 146 | 0 | 0 | 0 | 109 | K191 T193 Y200 | K191-I198 VanDerWaalsContact CE-CD1 3.46Å; K191-I198 HydrophobicContact CG-CG1 4.39Å; K191-I198 HydrophobicContact CG-CG2 3.99Å; T193-I198 HydrophobicContact CG2-CD1 4.22Å; T193-I198 HydrophobicContact CG2-CG1 3.66Å; I198-Y200 HydrophobicContact CG2-CE2 4.19Å | ||
| 199 | I | 23.1 | Very low | 25.3 | Very low | 157 Ų | 157 | 107 Ų | 107 | 81% | 0.805 | 57% | 0.567 | S | S | * | * | trans | -133.8 | 153.5 | -176.1 | -54.8 | 179.6 | 0 | 0 | 0 | 110.1 | ||||
| 200 | Y | 21.5 | Very low | 25.5 | Very low | 168 Ų | 168 | 102.5 Ų | 102.5 | 66% | 0.659 | 55% | 0.549 | S | S | * | . | trans | -138.3 | 147.6 | -177 | -56.8 | -91.9 | 0 | 0 | 0 | 111.4 | I198 | I198-Y200 HydrophobicContact CG2-CE2 4.19Š| ||
| 201 | D | 25 | Very low | 25.6 | Very low | 161 Ų | 161 | 102 Ų | 102 | 86% | 0.861 | 55% | 0.546 | S | S | * | . | trans | -162.9 | -177 | 147.7 | -130.6 | -37.5 | 0 | 0 | 0 | 114.7 | ||||
| 202 | V | 22.3 | Very low | 26.1 | Very low | 95 Ų | 95 | 102.5 Ų | 102.5 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | trans | -144.8 | 173.1 | -155.3 | -170.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 203 | L | 25.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 102.2 Ų | 102.2 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 111.8 | 152.9 | 168 | -65 | 177.2 | 0 | 0 | 0 | 115 | E395 D396 | L203-E395 VanDerWaalsContact C-CD 3.46Å; L203-E395 VanDerWaalsContact C-OE2 3.25Å; L203-E395 CarbonylContact O-C 3.5Å; L203-E395 WeakPolarHBondContact O-CA 3.22Å; L203-E395 WeakPolarHBondContact O-CB 3.31Å; L203-E395 WeakPolarHBondContact O-CG 3.16Å; L203-D396 CarbonylContact C-O 3.56Å; L203-D396 WeakPolarHBondContact CA-O 3.47Å; L203-D396 PolarHBondContact N-O 3.17Å; L203-D396 CarbonylContact O-C 3.48Å; L203-D396 PolarHBondContact O-N 3.23Å; L203-D396 VanDerWaalsContact O-O 3.13Å |
| 204 | P | 26.5 | Very low | 27.2 | Very low | 52 Ų | 52 | 101.6 Ų | 101.6 | 34% | 0.338 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 159.1 | -142.3 | 45 | -39.5 | 0 | 0 | 0 | 126.1 | E395 D396 P397 | P204-E395 VanDerWaalsContact C-C 3.48Å; P204-E395 CarbonylContact C-O 3.57Å; P204-E395 VanDerWaalsContact C-O 3.26Å; P204-E395 WeakPolarHBondContact CA-O 3.46Å; P204-E395 VanDerWaalsContact CD-OE2 3.29Å; P204-E395 WeakPolarHBondContact CD-OE2 3.47Å; P204-D396 VanDerWaalsContact CA-C 3.48Å; P204-P397 HydrophobicContact CB-CB 3.83Å; P204-P397 VanDerWaalsContact CB-CD 3.44Å; P204-P397 HydrophobicContact CB-CG 3.8Å |
| 205 | V | 23.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 99.1 Ų | 99.1 | 69% | 0.685 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 94.2 | 152.3 | 163.1 | -165 | 0 | 0 | 0 | 0 | 118.2 | E395 | V205-E395 PolarHBondContact N-O 3.46Å |
| 206 | G | 23 | Very low | 28.3 | Very low | 52 Ų | 52 | 99.4 Ų | 99.4 | 54% | 0.536 | 51% | 0.514 | S | S | . | . | trans | -149.5 | 165.2 | -173 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 207 | Y | 24.8 | Very low | 28.9 | Very low | 170 Ų | 170 | 94 Ų | 94 | 67% | 0.667 | 49% | 0.491 | S | S | * | . | trans | -153.6 | -157.3 | -179.2 | -107.4 | -81.5 | 0 | 0 | 0 | 112.4 | F273 | Y207-F273 HydrophobicContact CD1-CB 4.02Å; Y207-F273 HydrophobicContact CE1-CB 4.22Å; Y207-F273 HydrophobicContact CG-CB 4.27Å | ||
| 208 | K | 26.2 | Very low | 29.6 | Very low | 81 Ų | 81 | 91.7 Ų | 91.7 | 35% | 0.352 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 156 | -162.2 | -68.6 | 171.5 | -178.7 | 162.1 | 0 | 117.8 | F270 A271 K272 | K208-F270 PolarHBondContact NZ-O 3.17Å; K208-A271 PolarHBondContact NZ-O 2.9Å; K208-K272 WeakPolarHBondContact CE-O 3.13Å; K208-K272 PolarHBondContact NZ-O 2.8Å |
| 209 | P | 30.6 | Very low | 30 | Very low | 100 Ų | 100 | 91.6 Ų | 91.6 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 167.5 | 175.6 | 38 | -37.1 | 0 | 0 | 0 | 115.4 | V392 | P209-V392 HydrophobicContact CB-CG2 4.4Š|
| 210 | I | 29.8 | Very low | 30.4 | Very low | 46 Ų | 46 | 85.9 Ų | 85.9 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 144 | 176.8 | -76.8 | 179.8 | 0 | 0 | 0 | 112.8 | K212 V213 L277 V374 | I210-K212 WeakPolarHBondContact CG2-O 3.5Å; I210-V213 HydrophobicContact CG2-CG2 4.22Å; I210-L277 HydrophobicContact CD1-CD1 3.58Å; I210-L277 HydrophobicContact CD1-CD2 3.6Å; I210-L277 HydrophobicContact CD1-CG 4.17Å; I210-V374 HydrophobicContact CD1-CG1 4.02Å |
| 211 | T | 30.7 | Very low | 30.8 | Very low | 78 Ų | 78 | 80.1 Ų | 80.1 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -96.5 | -18.9 | 179.7 | 44.7 | 0 | 0 | 0 | 0 | 115.1 | T375 | T211-T375 PolarHBondContact N-O 2.7Å; T211-T375 PolarHBondContact OG1-O 2.8Å |
| 212 | K | 34.4 | Very low | 31.2 | Very low | 109 Ų | 109 | 80.3 Ų | 80.3 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 132.4 | 178.7 | -177.4 | -178.7 | -179.9 | -172.9 | 0 | 112.3 | I210 T375 S376 | I210-K212 WeakPolarHBondContact CG2-O 3.5Å; K212-T375 PolarHBondContact N-O 3.23Å; K212-S376 WeakPolarHBondContact O-CA 3.34Å; K212-S376 WeakPolarHBondContact O-CB 3.34Å |
| 213 | V | 37.6 | Very low | 31.6 | Very low | 35 Ų | 35 | 79 Ų | 79 | 21% | 0.212 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.9 | 158.5 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | I210 I215 F279 | I210-V213 HydrophobicContact CG2-CG2 4.22Å; V213-I215 HydrophobicContact CG1-CG1 4.24Å; V213-F279 HydrophobicContact CG1-CE2 3.78Å; V213-F279 HydrophobicContact CG1-CZ 4.09Å |
| 214 | S | 39 | Very low | 31.7 | Very low | 24 Ų | 24 | 76 Ų | 76 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.4 | -178.1 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | V377 N378 V379 | S214-V377 PolarHBondContact N-O 2.98Å; S214-N378 WeakPolarHBondContact CB-OD1 3.47Å; S214-N378 CarbonylContact O-C 3.55Å; S214-N378 VanDerWaalsContact O-CA 3.31Å; S214-N378 WeakPolarHBondContact O-CA 3.49Å; S214-N378 PolarHBondContact OG-OD1 2.84Å; S214-V379 PolarHBondContact O-N 3.26Å |
| 215 | I | 38.1 | Very low | 32 | Very low | 31 Ų | 31 | 78.4 Ų | 78.4 | 16% | 0.159 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.8 | 178.7 | -50.2 | 176.8 | 0 | 0 | 0 | 108 | V213 F279 V379 F383 L385 A388 | V213-I215 HydrophobicContact CG1-CG1 4.24Å; I215-F279 HydrophobicContact CD1-CZ 4.16Å; I215-V379 CarbonylContact C-O 3.6Å; I215-V379 WeakPolarHBondContact CA-O 3.41Å; I215-V379 HydrophobicContact CG2-CB 4.41Å; I215-F383 HydrophobicContact CG2-CE2 4.05Å; I215-F383 HydrophobicContact CG2-CZ 4.14Å; I215-L385 HydrophobicContact CD1-CD1 4.42Å; I215-L385 HydrophobicContact CD1-CD2 3.8Å; I215-L385 HydrophobicContact CG2-CD2 4.26Å; I215-A388 HydrophobicContact CD1-CB 4.09Å |
| 216 | R | 38.5 | Very low | 32.2 | Very low | 147 Ų | 147 | 75.5 Ų | 75.5 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118 | 179 | -67.5 | -178.9 | 171.2 | -168.4 | -4.3 | 109.6 | V379 V380 G381 | R216-V379 PolarHBondContact N-O 3.15Å; R216-V380 HydrophobicContact CB-CG1 4.23Å; R216-V380 HydrophobicContact CB-CG2 4.26Å; R216-V380 WeakPolarHBondContact O-CA 3.2Å; R216-G381 PolarHBondContact O-N 2.95Å; R216-G381 VanDerWaalsContact O-N 3.14Å |
| 217 | G | 39.2 | Very low | 32.5 | Very low | 26 Ų | 26 | 77.9 Ų | 77.9 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -175.2 | -168.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F219 | G217-F219 WeakPolarHBondContact O-CE1 3.47Å; G217-F219 WeakPolarHBondContact O-CZ 3.45Å |
| 218 | L | 37.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 73.7 Ų | 73.7 | 56% | 0.56 | 39% | 0.394 | S | S | * | . | trans | -94.5 | 97.4 | 175.2 | -94.2 | 161.4 | 0 | 0 | 0 | 109.7 | L286 F383 F384 | L218-L286 HydrophobicContact CB-CD1 4.22Å; L218-L286 HydrophobicContact CB-CD2 4.24Å; L218-L286 HydrophobicContact CD1-CD1 3.74Å; L218-L286 HydrophobicContact CD1-CD2 4.24Å; L218-F383 PolarHBondContact N-O 2.83Å; L218-F384 WeakPolarHBondContact O-CA 3.27Å; L218-F384 WeakPolarHBondContact O-CD1 2.98Å | ||
| 219 | F | 33 | Very low | 32.1 | Very low | 62 Ų | 62 | 78.2 Ų | 78.2 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | trans | -89.5 | 128 | -170.4 | 7.1 | -114.9 | 0 | 0 | 0 | 114.5 | G217 R260 | G217-F219 WeakPolarHBondContact O-CE1 3.47Å; G217-F219 WeakPolarHBondContact O-CZ 3.45Å; F219-R260 HydrophobicContact CD2-CB 3.99Å; F219-R260 HydrophobicContact CE2-CB 3.62Å; F219-R260 HydrophobicContact CE2-CG 4.48Å; F219-R260 HydrophobicContact CZ-CB 4.35Å; F219-R260 WeakPolarHBondContact CZ-O 3.5Å; F219-R260 PolarHBondContact O-NH1 2.77Å | ||
| 220 | A | 32.8 | Very low | 31.7 | Very low | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | trans | -114.5 | 97.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107 | Y222 L385 | A220-Y222 HydrophobicContact CB-CE2 3.95Å; A220-Y222 WeakPolarHBondContact O-CD2 3.43Å; A220-Y222 PolarHBondContact O-N 3.07Å; A220-Y222 VanDerWaalsContact O-N 3.11Å; A220-L385 VanDerWaalsContact O-O 3.04Å | ||
| 221 | L | 29.8 | Very low | 31.1 | Very low | 47 Ų | 47 | 84.6 Ų | 84.6 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | trans | -80.1 | 94.7 | -169 | -164.6 | 82.2 | 0 | 0 | 0 | 110.7 | M169 M224 L262 L385 | M169-L221 HydrophobicContact SD-CD2 4.09Å; L221-M224 HydrophobicContact CD1-CB 4.33Å; L221-M224 HydrophobicContact CD2-CB 4.36Å; L221-L262 HydrophobicContact CD2-CD1 4.13Å; L221-L385 HydrophobicContact CD1-CD2 4.24Å | ||
| 222 | Y | 32.3 | Very low | 30.6 | Very low | 165 Ų | 165 | 84.7 Ų | 84.7 | 65% | 0.647 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -78 | -32.1 | 178 | -68.5 | -83.7 | 0 | 0 | 0 | 112.9 | A220 H386 | A220-Y222 HydrophobicContact CB-CE2 3.95Å; A220-Y222 WeakPolarHBondContact O-CD2 3.43Å; A220-Y222 PolarHBondContact O-N 3.07Å; A220-Y222 VanDerWaalsContact O-N 3.11Å; Y222-H386 HydrophobicContact CD2-CB 4.43Å; Y222-H386 AromaticContact CD2-ND1 3.51Å; Y222-H386 AromaticContact CE2-ND1 3.6Å |
| 223 | S | 30.9 | Very low | 29.9 | Very low | 66 Ų | 66 | 85 Ų | 85 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | trans | -158.3 | 161 | 170.1 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | H386 G387 | S223-H386 PolarHBondContact N-O 2.88Å; S223-H386 PolarHBondContact OG-O 2.91Å; S223-G387 WeakPolarHBondContact O-CA 3.49Å | ||
| 224 | M | 28.9 | Very low | 29.1 | Very low | 48 Ų | 48 | 87.8 Ų | 87.8 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | trans | -154.7 | 110.2 | 165.7 | -161 | -169 | -170.2 | 0 | 0 | 110.2 | L221 V226 L262 A388 | L221-M224 HydrophobicContact CD1-CB 4.33Å; L221-M224 HydrophobicContact CD2-CB 4.36Å; M224-V226 HydrophobicContact CE-CG2 3.63Å; M224-V226 HydrophobicContact CG-CG2 3.84Å; M224-V226 HydrophobicContact SD-CG2 3.71Å; M224-L262 HydrophobicContact CE-CD2 4.35Å; M224-L262 HydrophobicContact SD-CD1 3.59Å; M224-L262 VanDerWaalsContact SD-CD1 3.59Å; M224-L262 HydrophobicContact SD-CD2 3.89Å; M224-L262 HydrophobicContact SD-CG 4.37Å; M224-A388 HydrophobicContact CE-CB 4.32Å; M224-A388 HydrophobicContact CG-CB 4.33Å | ||
| 225 | N | 32.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 94.1 Ų | 94.1 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 88 | 178.1 | -92 | -18 | 0 | 0 | 0 | 109.9 | T227 A388 | N225-T227 PolarHBondContact O-N 2.88Å; N225-A388 PolarHBondContact N-O 2.88Å; N225-A388 VanDerWaalsContact N-O 3.09Å |
| 226 | V | 27.3 | Very low | 27.3 | Very low | 52 Ų | 52 | 95.5 Ų | 95.5 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | trans | -91.5 | 90.4 | 173 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | M224 T228 L264 | M224-V226 HydrophobicContact CE-CG2 3.63Å; M224-V226 HydrophobicContact CG-CG2 3.84Å; M224-V226 HydrophobicContact SD-CG2 3.71Å; V226-T228 HydrophobicContact CG1-CG2 3.73Å; V226-T228 PolarHBondContact O-N 3.18Å; V226-T228 PolarHBondContact O-OG1 3.37Å; V226-L264 HydrophobicContact CG1-CD1 3.97Å | ||
| 227 | T | 28.4 | Very low | 26.5 | Very low | 102 Ų | 102 | 93 Ų | 93 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | trans | -75.4 | 51.8 | 178.7 | -42.8 | 0 | 0 | 0 | 0 | 112 | N225 L229 | N225-T227 PolarHBondContact O-N 2.88Å; T227-L229 PolarHBondContact O-N 3.21Å | ||
| 228 | T | 23.6 | Very low | 25.5 | Very low | 83 Ų | 83 | 98.3 Ų | 98.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | trans | -73.7 | 108.8 | 174 | 34.9 | 0 | 0 | 0 | 0 | 110.6 | V226 T230 | V226-T228 HydrophobicContact CG1-CG2 3.73Å; V226-T228 PolarHBondContact O-N 3.18Å; V226-T228 PolarHBondContact O-OG1 3.37Å; T228-T230 VanDerWaalsContact C-N 3.33Å; T228-T230 PolarHBondContact O-N 3.04Å; T228-T230 PolarHBondContact O-OG1 3.4Å | ||
| 229 | L | 20.4 | Very low | 24.8 | Very low | 176 Ų | 176 | 98.1 Ų | 98.1 | 92% | 0.921 | 52% | 0.523 | S | S | * | . | trans | -59.2 | 90.9 | 169.5 | -81.3 | 163.5 | 0 | 0 | 0 | 110.5 | T227 | T227-L229 PolarHBondContact O-N 3.21Š| ||
| 230 | T | 20.3 | Very low | 24.2 | Very low | 102 Ų | 102 | 100.5 Ų | 100.5 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | trans | -100.3 | 92.6 | -170.9 | -51.7 | 0 | 0 | 0 | 0 | 110 | T228 A232 | T228-T230 VanDerWaalsContact C-N 3.33Å; T228-T230 PolarHBondContact O-N 3.04Å; T228-T230 PolarHBondContact O-OG1 3.4Å; T230-A232 PolarHBondContact O-N 2.93Å | ||
| 231 | Y | 18.9 | Very low | 23.6 | Very low | 178 Ų | 178 | 106.3 Ų | 106.3 | 70% | 0.698 | 57% | 0.572 | S | S | * | * | trans | -72.9 | 106.2 | 170.6 | -110.6 | -90.9 | 0 | 0 | 0 | 109.6 | ||||
| 232 | A | 19.9 | Very low | 23.1 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 66% | 0.661 | 59% | 0.591 | S | S | * | * | trans | -118.6 | 90.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T230 | T230-A232 PolarHBondContact O-N 2.93Š| ||
| 233 | N | 19 | Very low | 22.5 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | trans | -102.7 | 89.2 | 171.5 | -108.3 | 3 | 0 | 0 | 0 | 109.7 | ||||
| 234 | S | 20.3 | Very low | 22 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | trans | -157.1 | 113.3 | 167.2 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 235 | R | 19.5 | Very low | 21.5 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 60% | 0.596 | 65% | 0.649 | S | S | * | * | trans | -137 | 96.2 | 172.8 | -107.4 | -159.7 | -169.7 | 177.9 | 5.2 | 108.3 | W161 | W161-R235 VanDerWaalsContact CB-NH2 3.3Å; W161-R235 HydrophobicContact CD2-CG 3.96Å; W161-R235 HydrophobicContact CE3-CG 3.94Å; W161-R235 HydrophobicContact CH2-CG 4.08Å; W161-R235 HydrophobicContact CZ2-CG 4.11Å; W161-R235 HydrophobicContact CZ3-CG 3.99Å; W161-R235 PolarHBondContact O-NH2 2.8Å | ||
| 236 | D | 21 | Very low | 20.9 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 32% | 0.316 | 66% | 0.66 | S | S | . | * | trans | -156.1 | 163.1 | 159.3 | -86.4 | -41.4 | 0 | 0 | 0 | 104.8 | G465 D466 T541 | D236-G465 WeakPolarHBondContact OD1-CA 3.17Å; D236-G465 VanDerWaalsContact OD2-C 3.28Å; D236-G465 VanDerWaalsContact OD2-CA 3.3Å; D236-G465 WeakPolarHBondContact OD2-CA 3.47Å; D236-D466 WeakPolarHBondContact CB-OD2 3.48Å; D236-T541 PolarHBondContact OD2-OG1 2.67Å | ||
| 237 | T | 21.7 | Very low | 20.6 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | cis | -116 | 173.9 | 3.6 | 7.2 | 0 | 0 | 0 | 0 | 112.8 | D466 | T237-D466 WeakPolarHBondContact CB-OD2 3.46Å; T237-D466 HydrophobicContact CG2-CB 4.33Å; T237-D466 VanDerWaalsContact CG2-OD2 3.3Å; T237-D466 WeakPolarHBondContact CG2-OD2 3.41Å; T237-D466 PolarHBondContact N-OD2 2.6Å; T237-D466 PolarHBondContact OG1-OD2 3.17Å | ||
| 238 | K | 18.6 | Very low | 20.2 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | trans | -141.9 | 149.7 | 151.9 | -134.9 | -174.8 | 160.7 | -83.3 | 0 | 112.8 | K538 | K238-K538 PolarHBondContact O-NZ 3.21Å; K238-K538 VanDerWaalsContact O-NZ 3.17Å | ||
| 239 | D | 22.4 | Very low | 19.9 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | trans | 70 | 87.6 | 159.2 | -49.3 | -38.8 | 0 | 0 | 0 | 118.8 | K538 | D239-K538 PolarHBondContact O-NZ 2.72Š| ||
| 240 | S | 20.2 | Very low | 19.9 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -168.2 | 135.1 | 146.4 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 241 | L | 19.4 | Very low | 19.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | cis | -154 | -179.2 | -15.8 | -151.6 | 100.1 | 0 | 0 | 0 | 107.9 | ||||
| 242 | E | 19.9 | Very low | 19.8 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 65% | 0.654 | 70% | 0.7 | S | S | * | * | trans | -62.6 | 177.1 | 178.8 | -49.9 | -177.2 | 133.5 | 0 | 0 | 115.6 | ||||
| 243 | R | 19 | Very low | 19.9 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | trans | 76 | 85.9 | 158.1 | -58.4 | 165.3 | -163.7 | -148.1 | -1.3 | 117.1 | ||||
| 244 | R | 20.6 | Very low | 19.8 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | -162.9 | 118.3 | 128.5 | -105.4 | 153.4 | -165.6 | -151 | 2.9 | 112.7 | |||||
| 245 | R | 18.5 | Very low | 19.7 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | 34.8 | 115.8 | 154.9 | -62.1 | -179 | 179.9 | 169.2 | -0.4 | 118.5 | ||||
| 246 | P | 20.6 | Very low | 19.8 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -63.9 | 170.3 | 157.6 | 31.3 | -34.9 | 0 | 0 | 0 | 110.9 | ||
| 247 | N | 20.5 | Very low | 19.7 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | 71.1 | 38.6 | -175.2 | -54.7 | -8.6 | 0 | 0 | 0 | 115.1 | ||||
| 248 | G | 19 | Very low | 19.7 | Very low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | trans | -117.3 | 103.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I250 | G248-I250 PolarHBondContact O-N 2.9Š| ||
| 249 | V | 19 | Very low | 19.9 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | -77.8 | 101.4 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | S251 | V249-S251 PolarHBondContact O-N 3.38Š| ||
| 250 | I | 19.1 | Very low | 19.9 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -82.8 | 69.2 | 176.9 | -53.3 | -179.5 | 0 | 0 | 0 | 109.4 | G248 E252 | G248-I250 PolarHBondContact O-N 2.9Å; I250-E252 VanDerWaalsContact C-N 3.33Å; I250-E252 PolarHBondContact O-N 2.91Å | ||
| 251 | S | 17.8 | Very low | 20 | Very low | 100 Ų | 100 | 155 Ų | 155 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -90.1 | 63.3 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | V249 | V249-S251 PolarHBondContact O-N 3.38Š| ||
| 252 | E | 20.5 | Very low | 20.2 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -140.8 | 2.2 | -174.3 | -137.5 | 169 | -136.7 | 0 | 0 | 115.4 | I250 A254 | I250-E252 VanDerWaalsContact C-N 3.33Å; I250-E252 PolarHBondContact O-N 2.91Å; E252-A254 VanDerWaalsContact C-N 3.27Å; E252-A254 PolarHBondContact O-N 3.25Å | ||
| 253 | I | 20.3 | Very low | 20.4 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.4 | 29.6 | 175.6 | -47.8 | 179 | 0 | 0 | 0 | 110.6 | ||
| 254 | A | 17.6 | Very low | 20.5 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -136.9 | 11.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E252 | E252-A254 VanDerWaalsContact C-N 3.27Å; E252-A254 PolarHBondContact O-N 3.25Å |
| 255 | E | 19.3 | Very low | 20.5 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -116.9 | 33.4 | 175.4 | -71 | -154.2 | 159.4 | 0 | 0 | 114.6 | N257 | E255-N257 PolarHBondContact O-N 2.8Å; E255-N257 PolarHBondContact O-ND2 3.25Å | ||
| 256 | V | 20.7 | Very low | 20.6 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79.7 | 69.9 | 163.9 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | E258 | V256-E258 PolarHBondContact O-N 3.48Š|
| 257 | N | 19.5 | Very low | 20.6 | Very low | 116 Ų | 116 | 142 Ų | 142 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | -20 | 102.1 | 173 | -80 | -103.6 | 0 | 0 | 0 | 117.1 | E255 K259 | E255-N257 PolarHBondContact O-N 2.8Å; E255-N257 PolarHBondContact O-ND2 3.25Å; N257-K259 PolarHBondContact O-N 3.36Å | ||
| 258 | E | 21 | Very low | 20.6 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 38.3 | -2.2 | 134.3 | -60.8 | -162.3 | 131.3 | 0 | 0 | 123.4 | V256 | V256-E258 PolarHBondContact O-N 3.48Š|
| 259 | K | 22.8 | Very low | 20.6 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -109.5 | 115.1 | -170.5 | -66 | -170.3 | 178 | -179.9 | 0 | 111.5 | N257 Y261 | N257-K259 PolarHBondContact O-N 3.36Å; K259-Y261 HydrophobicContact CB-CE2 4.18Å; K259-Y261 WeakPolarHBondContact O-CD2 3.39Å; K259-Y261 PolarHBondContact O-N 2.95Å | ||
| 260 | R | 22.4 | Very low | 20.8 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | -66 | 107 | -168.3 | -56.3 | 172.5 | -169 | 175.3 | 5 | 111 | F219 | F219-R260 HydrophobicContact CD2-CB 3.99Å; F219-R260 HydrophobicContact CE2-CB 3.62Å; F219-R260 HydrophobicContact CE2-CG 4.48Å; F219-R260 HydrophobicContact CZ-CB 4.35Å; F219-R260 WeakPolarHBondContact CZ-O 3.5Å; F219-R260 PolarHBondContact O-NH1 2.77Å | ||
| 261 | Y | 23.1 | Very low | 20.9 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -127 | 133.7 | 170 | -65.4 | -73.6 | 0 | 0 | 0 | 110 | K259 | K259-Y261 HydrophobicContact CB-CE2 4.18Å; K259-Y261 WeakPolarHBondContact O-CD2 3.39Å; K259-Y261 PolarHBondContact O-N 2.95Å | ||
| 262 | L | 23.6 | Very low | 21.2 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 48% | 0.482 | 72% | 0.719 | S | S | . | * | trans | -120.1 | 67.9 | 173 | -147.4 | 163.6 | 0 | 0 | 0 | 108.9 | L221 M224 | L221-L262 HydrophobicContact CD2-CD1 4.13Å; M224-L262 HydrophobicContact CE-CD2 4.35Å; M224-L262 HydrophobicContact SD-CD1 3.59Å; M224-L262 VanDerWaalsContact SD-CD1 3.59Å; M224-L262 HydrophobicContact SD-CD2 3.89Å; M224-L262 HydrophobicContact SD-CG 4.37Å | ||
| 263 | A | 22.8 | Very low | 21.5 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | trans | -97.9 | 115 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P265 | A263-P265 VanDerWaalsContact O-CD 3.3Å; A263-P265 WeakPolarHBondContact O-CD 3.49Å | ||
| 264 | L | 22.1 | Very low | 22.2 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 45% | 0.45 | 67% | 0.673 | S | S | . | * | trans | -82.3 | 115 | 169.3 | -70.9 | 167.4 | 0 | 0 | 0 | 108.8 | V226 | V226-L264 HydrophobicContact CG1-CD1 3.97Š| ||
| 265 | P | 21.2 | Very low | 23.2 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | trans | -109.7 | 110.3 | -173.8 | 34.1 | -20 | 0 | 0 | 0 | 111.5 | A263 | A263-P265 VanDerWaalsContact O-CD 3.3Å; A263-P265 WeakPolarHBondContact O-CD 3.49Å | ||
| 266 | Y | 20.2 | Very low | 24.3 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 82% | 0.82 | 64% | 0.635 | S | S | * | * | trans | -136.8 | 127.9 | 161.8 | -115.7 | -90 | 0 | 0 | 0 | 111.3 | ||||
| 267 | R | 20.3 | Very low | 25.8 | Very low | 248 Ų | 248 | 121.8 Ų | 121.8 | 94% | 0.936 | 59% | 0.594 | S | S | * | * | trans | -118.4 | 110.9 | 179.1 | -76.3 | 180 | 170.6 | 176.5 | -2.1 | 109.5 | ||||
| 268 | A | 19.7 | Very low | 27.5 | Very low | 64 Ų | 64 | 118.3 Ų | 118.3 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | trans | -159.3 | 152.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F270 | A268-F270 HydrophobicContact CB-CD2 4.25Å; A268-F270 HydrophobicContact CB-CE2 3.78Å; A268-F270 PolarHBondContact O-N 3.44Å | ||
| 269 | H | 19.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 109.5 Ų | 109.5 | 89% | 0.889 | 53% | 0.534 | S | S | * | . | trans | -78.6 | 116.3 | -172.4 | -63.7 | -100.1 | 0 | 0 | 0 | 112.9 | ||||
| 270 | F | 22.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 103.1 Ų | 103.1 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | trans | -140.1 | 55.9 | 178.6 | -71.3 | -67.1 | 0 | 0 | 0 | 115 | K208 A268 | K208-F270 PolarHBondContact NZ-O 3.17Å; A268-F270 HydrophobicContact CB-CD2 4.25Å; A268-F270 HydrophobicContact CB-CE2 3.78Å; A268-F270 PolarHBondContact O-N 3.44Å | ||
| 271 | A | 22.1 | Very low | 33.1 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 69% | 0.694 | 48% | 0.479 | S | S | * | . | trans | -56.7 | 153.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K208 | K208-A271 PolarHBondContact NZ-O 2.9Š| ||
| 272 | K | 24.4 | Very low | 35.2 | Very low | 150 Ų | 150 | 90.3 Ų | 90.3 | 65% | 0.652 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 76.2 | 129.6 | 178.9 | -63 | -173.3 | 172.9 | -176.6 | 0 | 118.4 | K208 | K208-K272 WeakPolarHBondContact CE-O 3.13Å; K208-K272 PolarHBondContact NZ-O 2.8Å |
| 273 | F | 26.7 | Very low | 37.2 | Very low | 102 Ų | 102 | 86.5 Ų | 86.5 | 45% | 0.447 | 44% | 0.444 | S | S | . | . | trans | 62.4 | 118.9 | 160.7 | -47 | -50.7 | 0 | 0 | 0 | 120.6 | Y207 | Y207-F273 HydrophobicContact CD1-CB 4.02Å; Y207-F273 HydrophobicContact CE1-CB 4.22Å; Y207-F273 HydrophobicContact CG-CB 4.27Å | ||
| 274 | G | 33.6 | Very low | 39.1 | Very low | 23 Ų | 23 | 83.1 Ų | 83.1 | 24% | 0.237 | 42% | 0.417 | C | S | . | . | trans | -173.2 | 128.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 275 | K | 38.8 | Very low | 40.9 | Very low | 91 Ų | 91 | 79.6 Ų | 79.6 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | trans | -120 | -9.9 | -165.9 | -77.7 | -165.5 | 171 | -164.9 | 0 | 116.5 | D351 R370 | K275-D351 PolarHBondContact O-N 3.48Å; K275-D351 VanDerWaalsContact O-N 3.16Å; K275-R370 VanDerWaalsContact CE-O 3.24Å; K275-R370 WeakPolarHBondContact CE-O 3.48Å | ||
| 276 | S | 44.1 | Very low | 42.7 | Very low | 42 Ų | 42 | 75.6 Ų | 75.6 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144.4 | -172.2 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | I349 L393 | S276-I349 CarbonylContact C-O 3.59Å; S276-I349 WeakPolarHBondContact CA-O 3.24Å; S276-L393 VanDerWaalsContact CB-O 3.31Å; S276-L393 WeakPolarHBondContact CB-O 3.43Å |
| 277 | L | 51.1 | Low | 44.1 | Very low | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 147.8 | -178.4 | 178.4 | 66.5 | 0 | 0 | 0 | 109.9 | I210 F279 K348 I349 V377 | I210-L277 HydrophobicContact CD1-CD1 3.58Å; I210-L277 HydrophobicContact CD1-CD2 3.6Å; I210-L277 HydrophobicContact CD1-CG 4.17Å; L277-F279 HydrophobicContact CD2-CB 4.46Å; L277-K348 CarbonylContact O-C 3.59Å; L277-K348 VanDerWaalsContact O-CA 3.3Å; L277-K348 WeakPolarHBondContact O-CA 3.25Å; L277-I349 HydrophobicContact CB-CB 4.02Å; L277-I349 HydrophobicContact CB-CD1 4.43Å; L277-I349 HydrophobicContact CB-CG1 4.27Å; L277-I349 HydrophobicContact CD2-CD1 3.9Å; L277-I349 HydrophobicContact CD2-CG1 4.36Å; L277-I349 PolarHBondContact N-O 2.7Å; L277-I349 PolarHBondContact O-N 2.84Å; L277-I349 VanDerWaalsContact O-O 3.13Å; L277-V377 HydrophobicContact CD2-CG2 4.05Å |
| 278 | L | 56 | Low | 45.7 | Very low | 44 Ų | 44 | 62.2 Ų | 62.2 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.7 | 155.5 | -172.8 | 74.1 | 0 | 0 | 0 | 108.1 | T346 I347 K348 V391 L393 | L278-T346 HydrophobicContact CD1-CG2 3.4Å; L278-T346 VanDerWaalsContact CD1-CG2 3.4Å; L278-T346 HydrophobicContact CG-CG2 4.2Å; L278-I347 CarbonylContact C-O 3.57Å; L278-I347 WeakPolarHBondContact CA-O 3.42Å; L278-K348 HydrophobicContact CD1-CB 3.9Å; L278-V391 CarbonylContact C-O 3.59Å; L278-V391 WeakPolarHBondContact CA-O 3.44Å; L278-V391 HydrophobicContact CB-CB 4.32Å; L278-V391 WeakPolarHBondContact CB-O 3.47Å; L278-V391 PolarHBondContact N-O 3.33Å; L278-V391 PolarHBondContact O-N 3.07Å; L278-L393 HydrophobicContact CB-CD1 4.03Å; L278-L393 HydrophobicContact CB-CD2 3.86Å; L278-L393 HydrophobicContact CB-CG 3.67Å; L278-L393 HydrophobicContact CD2-CD2 4.32Å |
| 279 | F | 59.4 | Low | 47.5 | Very low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.9 | 170 | 178.2 | -98.2 | 0 | 0 | 0 | 108.6 | V213 I215 L277 M281 T346 I347 V379 A388 E389 A390 | V213-F279 HydrophobicContact CG1-CE2 3.78Å; V213-F279 HydrophobicContact CG1-CZ 4.09Å; I215-F279 HydrophobicContact CD1-CZ 4.16Å; L277-F279 HydrophobicContact CD2-CB 4.46Å; F279-M281 HydrophobicContact CE1-CB 4.25Å; F279-M281 HydrophobicContact CE1-CE 3.99Å; F279-M281 HydrophobicContact CE1-CG 3.99Å; F279-M281 HydrophobicContact CE1-SD 3.69Å; F279-M281 HydrophobicContact CZ-CB 4.45Å; F279-M281 HydrophobicContact CZ-SD 4.28Å; F279-T346 CarbonylContact O-C 3.52Å; F279-T346 WeakPolarHBondContact O-CA 3.47Å; F279-I347 HydrophobicContact CB-CB 4.37Å; F279-I347 HydrophobicContact CD1-CD1 3.95Å; F279-I347 PolarHBondContact N-O 2.74Å; F279-I347 PolarHBondContact O-N 3.49Å; F279-V379 HydrophobicContact CE1-CG2 4.18Å; F279-A388 HydrophobicContact CZ-CB 4.44Å; F279-E389 WeakPolarHBondContact CD2-O 3.27Å; F279-A390 HydrophobicContact CD2-CB 3.96Å |
| 280 | S | 62.7 | Low | 49.4 | Very low | 30 Ų | 30 | 58 Ų | 58 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.6 | -175.3 | -162.1 | 0 | 0 | 0 | 0 | 109.9 | V345 T346 A388 E389 | S280-V345 CarbonylContact C-O 3.52Å; S280-V345 WeakPolarHBondContact CA-O 3.49Å; S280-T346 PolarHBondContact OG-OG1 3.22Å; S280-A388 CarbonylContact O-C 3.56Å; S280-A388 WeakPolarHBondContact O-CA 3.29Å; S280-E389 PolarHBondContact N-O 2.88Å; S280-E389 PolarHBondContact O-N 2.84Å; S280-E389 VanDerWaalsContact O-O 3.06Å |
| 281 | M | 61.8 | Low | 51 | Low | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.6 | 176 | 59.5 | 179.1 | 163 | 0 | 0 | 112.1 | F279 V283 I294 N344 V345 V379 L385 G387 A388 | F279-M281 HydrophobicContact CE1-CB 4.25Å; F279-M281 HydrophobicContact CE1-CE 3.99Å; F279-M281 HydrophobicContact CE1-CG 3.99Å; F279-M281 HydrophobicContact CE1-SD 3.69Å; F279-M281 HydrophobicContact CZ-CB 4.45Å; F279-M281 HydrophobicContact CZ-SD 4.28Å; M281-V283 HydrophobicContact CG-CG1 4.15Å; M281-V283 HydrophobicContact SD-CG1 3.94Å; M281-I294 HydrophobicContact CE-CD1 4.37Å; M281-N344 CarbonylContact O-C 3.56Å; M281-N344 WeakPolarHBondContact O-CA 3.47Å; M281-V345 HydrophobicContact CE-CB 3.6Å; M281-V345 HydrophobicContact CE-CG1 3.44Å; M281-V345 VanDerWaalsContact CE-CG1 3.44Å; M281-V345 HydrophobicContact CE-CG2 4.02Å; M281-V345 HydrophobicContact CG-CB 3.78Å; M281-V345 HydrophobicContact CG-CG1 4.46Å; M281-V345 PolarHBondContact N-O 2.82Å; M281-V345 PolarHBondContact O-N 2.91Å; M281-V379 HydrophobicContact CE-CB 4.36Å; M281-V379 HydrophobicContact CE-CG1 3.65Å; M281-V379 HydrophobicContact CE-CG2 3.82Å; M281-V379 HydrophobicContact SD-CG1 4.06Å; M281-V379 HydrophobicContact SD-CG2 4.16Å; M281-L385 HydrophobicContact CB-CD1 3.94Å; M281-L385 HydrophobicContact SD-CD1 4.3Å; M281-G387 CarbonylContact C-O 3.48Å; M281-G387 VanDerWaalsContact CA-O 3.24Å; M281-G387 WeakPolarHBondContact CA-O 3.46Å; M281-G387 WeakPolarHBondContact CB-O 3.4Å; M281-A388 HydrophobicContact CB-CB 4.19Å |
| 282 | Q | 66.1 | Low | 53 | Low | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.9 | 169.6 | -81.8 | 178.6 | 0.6 | 0 | 0 | 109.3 | L342 N344 H386 G387 | Q282-L342 HydrophobicContact CB-CD2 4.26Å; Q282-N344 WeakPolarHBondContact CG-OD1 3.29Å; Q282-N344 PolarHBondContact NE2-OD1 2.87Å; Q282-H386 HydrophobicContact CB-CB 4.06Å; Q282-H386 PolarHBondContact O-N 3.45Å; Q282-G387 PolarHBondContact N-O 3.49Å; Q282-G387 PolarHBondContact O-N 3.11Å |
| 283 | V | 65.5 | Low | 54.8 | Low | 12 Ų | 12 | 44.2 Ų | 44.2 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146 | -179.5 | -67 | 0 | 0 | 0 | 0 | 110.5 | M281 L342 F343 V345 F383 F384 L385 | M281-V283 HydrophobicContact CG-CG1 4.15Å; M281-V283 HydrophobicContact SD-CG1 3.94Å; V283-L342 CarbonylContact O-C 3.57Å; V283-L342 WeakPolarHBondContact O-CA 3.42Å; V283-F343 PolarHBondContact N-O 2.8Å; V283-F343 WeakPolarHBondContact O-CD2 3.29Å; V283-F343 PolarHBondContact O-N 3.23Å; V283-V345 HydrophobicContact CG2-CG2 3.75Å; V283-F383 HydrophobicContact CB-CB 4.24Å; V283-F383 HydrophobicContact CB-CD2 3.94Å; V283-F383 HydrophobicContact CB-CG 4.18Å; V283-F383 HydrophobicContact CG1-CD2 3.49Å; V283-F383 VanDerWaalsContact CG1-CD2 3.49Å; V283-F383 HydrophobicContact CG1-CE2 3.78Å; V283-F383 HydrophobicContact CG1-CG 4.13Å; V283-F384 CarbonylContact C-O 2.66Å; V283-F384 VanDerWaalsContact CA-O 3.24Å; V283-F384 WeakPolarHBondContact CA-O 3.39Å; V283-L385 HydrophobicContact CG1-CD1 3.81Å |
| 284 | S | 62.2 | Low | 56.9 | Low | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130 | 166.6 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | R341 F383 F384 H386 | S284-R341 WeakPolarHBondContact CA-O 3.49Å; S284-R341 WeakPolarHBondContact CB-O 3.49Å; S284-F383 CarbonylContact O-C 3.55Å; S284-F383 WeakPolarHBondContact O-CA 3.43Å; S284-F384 PolarHBondContact N-O 3.3Å; S284-F384 PolarHBondContact O-N 2.86Å; S284-H386 PolarHBondContact OG-NE2 3.18Å |
| 285 | L | 61.8 | Low | 58.7 | Low | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 140.2 | -178.3 | -67.5 | 167.7 | 0 | 0 | 0 | 111.4 | A289 Y310 G340 F343 | L285-A289 HydrophobicContact CB-CB 3.98Å; L285-A289 HydrophobicContact CD2-CB 3.81Å; L285-A289 HydrophobicContact CG-CB 4.37Å; L285-Y310 HydrophobicContact CD1-CD1 4.27Å; L285-Y310 HydrophobicContact CD1-CE1 3.86Å; L285-Y310 HydrophobicContact CD2-CE1 4.38Å; L285-Y310 HydrophobicContact CD2-CE2 3.86Å; L285-G340 PolarHBondContact O-N 2.93Å; L285-F343 HydrophobicContact CB-CE2 4.39Å; L285-F343 HydrophobicContact CD1-CE2 3.88Å; L285-F343 HydrophobicContact CD1-CZ 4.34Å; L285-F343 HydrophobicContact CG-CE2 3.88Å |
| 286 | L | 57.6 | Low | 60.2 | Low | 27 Ų | 27 | 34.9 Ų | 34.9 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 149.5 | 167.6 | -69.6 | 171.5 | 0 | 0 | 0 | 109.7 | L218 N288 A289 D382 F384 | L218-L286 HydrophobicContact CB-CD1 4.22Å; L218-L286 HydrophobicContact CB-CD2 4.24Å; L218-L286 HydrophobicContact CD1-CD1 3.74Å; L218-L286 HydrophobicContact CD1-CD2 4.24Å; L286-N288 PolarHBondContact O-N 3.24Å; L286-A289 VanDerWaalsContact O-CB 3.29Å; L286-A289 WeakPolarHBondContact O-CB 3.48Å; L286-A289 PolarHBondContact O-N 3.21Å; L286-D382 HydrophobicContact CB-CB 4.32Å; L286-D382 WeakPolarHBondContact CB-O 3.45Å; L286-D382 HydrophobicContact CD1-CB 4.04Å; L286-D382 PolarHBondContact N-O 2.79Å; L286-F384 HydrophobicContact CD2-CD1 4.44Å; L286-F384 HydrophobicContact CD2-CD2 3.89Å; L286-F384 HydrophobicContact CD2-CE1 4.05Å; L286-F384 HydrophobicContact CD2-CE2 3.48Å; L286-F384 VanDerWaalsContact CD2-CE2 3.48Å; L286-F384 HydrophobicContact CD2-CG 4.35Å; L286-F384 HydrophobicContact CD2-CZ 3.55Å |
| 287 | P | 49.2 | Very low | 60.9 | Low | 75 Ų | 75 | 35.1 Ų | 35.1 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.5 | 167.1 | -24.9 | 34.6 | 0 | 0 | 0 | 111.4 | D339 | P287-D339 WeakPolarHBondContact CA-OD2 3.4Å; P287-D339 HydrophobicContact CG-CB 4.36Å |
| 288 | N | 55.6 | Low | 61.1 | Low | 100 Ų | 100 | 34.8 Ų | 34.8 | 54% | 0.535 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 22.1 | -174.3 | -43.2 | -84.4 | 0 | 0 | 0 | 116.3 | L286 K290 S2156 | L286-N288 PolarHBondContact O-N 3.24Å; N288-K290 PolarHBondContact O-N 2.93Å; N288-S2156 WeakPolarHBondContact OD1-CB 3.47Å; N288-S2156 PolarHBondContact OD1-OG 3.44Å |
| 289 | A | 56.8 | Low | 61 | Low | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | trans | -48.5 | 121.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L285 L286 D382 | L285-A289 HydrophobicContact CB-CB 3.98Å; L285-A289 HydrophobicContact CD2-CB 3.81Å; L285-A289 HydrophobicContact CG-CB 4.37Å; L286-A289 VanDerWaalsContact O-CB 3.29Å; L286-A289 WeakPolarHBondContact O-CB 3.48Å; L286-A289 PolarHBondContact O-N 3.21Å; A289-D382 HydrophobicContact CB-CB 3.52Å; A289-D382 WeakPolarHBondContact CB-O 3.41Å | ||
| 290 | K | 58.8 | Low | 60.6 | Low | 160 Ų | 160 | 46 Ų | 46 | 70% | 0.696 | 23% | 0.233 | S | C | * | . | trans | -95.7 | -43.3 | -175.6 | -70.6 | -171.8 | 177.7 | -179.1 | 0 | 112.4 | N288 D382 | N288-K290 PolarHBondContact O-N 2.93Å; K290-D382 PolarHBondContact N-OD2 3.08Å | ||
| 291 | V | 55.8 | Low | 60.2 | Low | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.5 | -175.1 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | L293 R307 G308 D382 | V291-L293 HydrophobicContact CG1-CD1 4.39Å; V291-L293 HydrophobicContact CG1-CD2 4.26Å; V291-L293 HydrophobicContact CG1-CG 3.95Å; V291-R307 HydrophobicContact CG1-CG 3.79Å; V291-G308 WeakPolarHBondContact CA-O 3.3Å; V291-D382 PolarHBondContact O-N 3.45Å |
| 292 | T | 64.2 | Low | 60.1 | Low | 10 Ų | 10 | 51.3 Ų | 51.3 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.7 | 159.3 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | R307 G308 Y310 F383 | T292-R307 CarbonylContact O-C 3.54Å; T292-R307 WeakPolarHBondContact O-CA 3.35Å; T292-G308 PolarHBondContact N-O 3.49Å; T292-G308 PolarHBondContact O-N 2.94Å; T292-Y310 WeakPolarHBondContact CB-OH 3.33Å; T292-Y310 WeakPolarHBondContact OG1-CE2 3.36Å; T292-Y310 PolarHBondContact OG1-OH 2.86Å; T292-F383 HydrophobicContact CG2-CD1 4.23Å; T292-F383 HydrophobicContact CG2-CE1 4.08Å |
| 293 | L | 63.3 | Low | 60.1 | Low | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.3 | -176.7 | -66.9 | 158 | 0 | 0 | 0 | 108.5 | V291 I306 R307 V379 V380 | V291-L293 HydrophobicContact CG1-CD1 4.39Å; V291-L293 HydrophobicContact CG1-CD2 4.26Å; V291-L293 HydrophobicContact CG1-CG 3.95Å; L293-I306 CarbonylContact C-O 3.59Å; L293-I306 WeakPolarHBondContact CA-O 3.37Å; L293-R307 HydrophobicContact CD2-CB 3.85Å; L293-R307 HydrophobicContact CD2-CG 3.8Å; L293-V379 WeakPolarHBondContact O-CA 3.46Å; L293-V380 HydrophobicContact CB-CB 4.36Å; L293-V380 PolarHBondContact N-O 3.12Å; L293-V380 PolarHBondContact O-N 3.2Å |
| 294 | I | 71 | Confident | 60.5 | Low | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 99.2 | 174.7 | -51.4 | -175.5 | 0 | 0 | 0 | 107 | M281 H305 I306 V345 I347 V377 V379 | M281-I294 HydrophobicContact CE-CD1 4.37Å; I294-H305 WeakPolarHBondContact O-CA 3.48Å; I294-I306 HydrophobicContact CB-CB 4.17Å; I294-I306 HydrophobicContact CB-CD1 4.5Å; I294-I306 HydrophobicContact CD1-CD1 4.29Å; I294-I306 PolarHBondContact N-O 2.73Å; I294-I306 PolarHBondContact O-N 2.84Å; I294-V345 HydrophobicContact CD1-CG1 3.99Å; I294-I347 HydrophobicContact CG2-CD1 3.44Å; I294-I347 VanDerWaalsContact CG2-CD1 3.44Å; I294-V377 HydrophobicContact CG2-CG1 4.35Å; I294-V379 HydrophobicContact CG1-CG1 4.43Å |
| 295 | D | 70.3 | Confident | 61.1 | Low | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135 | 174.1 | -57.4 | -45.1 | 0 | 0 | 0 | 109.8 | Y297 I302 H305 V377 N378 | D295-Y297 HydrophobicContact CB-CD2 4Å; D295-Y297 HydrophobicContact CB-CE2 3.38Å; D295-Y297 PolarHBondContact OD2-OH 2.82Å; D295-I302 HydrophobicContact CB-CG2 4.15Å; D295-H305 IonicContact OD1-CE1 3.16Å; D295-H305 IonicContact OD1-CG 3.62Å; D295-H305 IonicContact OD1-ND1 2.72Å; D295-H305 PolarHBondContact OD1-ND1 2.89Å; D295-V377 WeakPolarHBondContact O-CA 3.33Å; D295-N378 HydrophobicContact CB-CB 4.24Å; D295-N378 PolarHBondContact N-O 2.81Å; D295-N378 PolarHBondContact O-N 2.97Å |
| 296 | V | 69.8 | Low | 61.8 | Low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.6 | 168 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | V303 W304 I349 V374 V377 | V296-V303 HydrophobicContact CG1-CG2 4.35Å; V296-V303 WeakPolarHBondContact O-CG2 3.36Å; V296-V303 PolarHBondContact O-N 2.93Å; V296-W304 HydrophobicContact CB-CB 4.1Å; V296-W304 HydrophobicContact CG2-CB 4.49Å; V296-W304 HydrophobicContact CG2-CE3 3.94Å; V296-W304 PolarHBondContact N-O 2.82Å; V296-W304 PolarHBondContact O-N 2.8Å; V296-I349 HydrophobicContact CG1-CD1 3.84Å; V296-V374 HydrophobicContact CG1-CB 4.24Å; V296-V374 HydrophobicContact CG1-CG1 3.55Å; V296-V374 HydrophobicContact CG1-CG2 3.63Å; V296-V377 HydrophobicContact CG2-CG2 4.39Å |
| 297 | Y | 60.1 | Low | 62.6 | Low | 48 Ų | 48 | 52.9 Ų | 52.9 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.6 | -176.2 | -64.3 | -103 | 0 | 0 | 0 | 112 | D295 F300 D301 I302 V374 T375 S376 N378 | D295-Y297 HydrophobicContact CB-CD2 4Å; D295-Y297 HydrophobicContact CB-CE2 3.38Å; D295-Y297 PolarHBondContact OD2-OH 2.82Å; Y297-F300 WeakPolarHBondContact CD1-O 3.46Å; Y297-D301 CarbonylContact C-O 3.56Å; Y297-D301 WeakPolarHBondContact CA-O 3.45Å; Y297-I302 HydrophobicContact CD1-CB 4.45Å; Y297-I302 HydrophobicContact CD1-CG1 3.72Å; Y297-I302 HydrophobicContact CE1-CB 4.42Å; Y297-I302 HydrophobicContact CE1-CD1 4.14Å; Y297-I302 HydrophobicContact CE1-CG1 3.27Å; Y297-I302 HydrophobicContact CE2-CG1 4.39Å; Y297-I302 HydrophobicContact CG-CG1 4.45Å; Y297-V374 CarbonylContact O-C 3.58Å; Y297-V374 WeakPolarHBondContact O-CA 3.38Å; Y297-T375 PolarHBondContact O-N 2.81Å; Y297-T375 PolarHBondContact O-OG1 3.44Å; Y297-S376 WeakPolarHBondContact CB-OG 3.27Å; Y297-S376 PolarHBondContact N-O 3.09Å; Y297-S376 PolarHBondContact O-N 3.33Å; Y297-N378 HydrophobicContact CD2-CB 4.34Å; Y297-N378 HydrophobicContact CE2-CB 3.64Å |
| 298 | S | 55.7 | Low | 63.7 | Low | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 112.8 | 165.2 | 148 | 0 | 0 | 0 | 0 | 108.8 | F300 D301 Y372 P373 | S298-F300 PolarHBondContact O-N 3.01Å; S298-D301 PolarHBondContact N-O 2.83Å; S298-D301 PolarHBondContact O-N 2.88Å; S298-Y372 WeakPolarHBondContact OG-CD1 3.47Å; S298-P373 VanDerWaalsContact CB-O 3.29Å; S298-P373 WeakPolarHBondContact CB-O 3.47Å; S298-P373 PolarHBondContact OG-O 2.98Å |
| 299 | N | 54.1 | Low | 64.5 | Low | 92 Ų | 92 | 46 Ų | 46 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 48.6 | -178.7 | -57.4 | -67.5 | 0 | 0 | 0 | 113.2 | D301 T375 | N299-D301 PolarHBondContact O-N 3.4Å; N299-T375 VanDerWaalsContact N-CG2 3.3Å; N299-T375 PolarHBondContact N-OG1 3.08Å |
| 300 | F | 49.2 | Very low | 64.8 | Low | 191 Ų | 191 | 46.8 Ų | 46.8 | 84% | 0.838 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -13.7 | -179.1 | -48.4 | -81.1 | 0 | 0 | 0 | 117 | Y297 S298 | Y297-F300 WeakPolarHBondContact CD1-O 3.46Å; S298-F300 PolarHBondContact O-N 3.01Å |
| 301 | D | 54.8 | Low | 65 | Low | 97 Ų | 97 | 41 Ų | 41 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.9 | 167.2 | -68.5 | -35.1 | 0 | 0 | 0 | 110.4 | Y297 S298 N299 V303 | Y297-D301 CarbonylContact C-O 3.56Å; Y297-D301 WeakPolarHBondContact CA-O 3.45Å; S298-D301 PolarHBondContact N-O 2.83Å; S298-D301 PolarHBondContact O-N 2.88Å; N299-D301 PolarHBondContact O-N 3.4Å; D301-V303 PolarHBondContact O-N 2.85Å |
| 302 | I | 60.8 | Low | 65.7 | Low | 50 Ų | 50 | 41.3 Ų | 41.3 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114.8 | 169.3 | -51.7 | 171.2 | 0 | 0 | 0 | 107.4 | D295 Y297 W304 H305 W325 | D295-I302 HydrophobicContact CB-CG2 4.15Å; Y297-I302 HydrophobicContact CD1-CB 4.45Å; Y297-I302 HydrophobicContact CD1-CG1 3.72Å; Y297-I302 HydrophobicContact CE1-CB 4.42Å; Y297-I302 HydrophobicContact CE1-CD1 4.14Å; Y297-I302 HydrophobicContact CE1-CG1 3.27Å; Y297-I302 HydrophobicContact CE2-CG1 4.39Å; Y297-I302 HydrophobicContact CG-CG1 4.45Å; I302-W304 VanDerWaalsContact CG2-O 3.24Å; I302-W304 WeakPolarHBondContact CG2-O 3.3Å; I302-H305 HydrophobicContact CG2-CB 4.34Å; I302-W325 HydrophobicContact CB-CH2 4Å; I302-W325 HydrophobicContact CB-CZ2 4.28Å; I302-W325 HydrophobicContact CG2-CH2 3.78Å; I302-W325 HydrophobicContact CG2-CZ2 4.46Å; I302-W325 WeakPolarHBondContact O-CH2 3.5Å |
| 303 | V | 66 | Low | 65.9 | Low | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -22.5 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | V296 D301 W320 Y372 | V296-V303 HydrophobicContact CG1-CG2 4.35Å; V296-V303 WeakPolarHBondContact O-CG2 3.36Å; V296-V303 PolarHBondContact O-N 2.93Å; D301-V303 PolarHBondContact O-N 2.85Å; V303-W320 PolarHBondContact O-N 2.93Å; V303-Y372 HydrophobicContact CG1-CD1 4.45Å; V303-Y372 HydrophobicContact CG1-CD2 4.12Å; V303-Y372 HydrophobicContact CG1-CG 4.02Å |
| 304 | W | 73.7 | Confident | 66.4 | Low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 146.6 | 177.3 | -162.8 | 66.7 | 0 | 0 | 0 | 112 | V296 I302 I306 L317 N318 V354 T356 D365 | V296-W304 HydrophobicContact CB-CB 4.1Å; V296-W304 HydrophobicContact CG2-CB 4.49Å; V296-W304 HydrophobicContact CG2-CE3 3.94Å; V296-W304 PolarHBondContact N-O 2.82Å; V296-W304 PolarHBondContact O-N 2.8Å; I302-W304 VanDerWaalsContact CG2-O 3.24Å; I302-W304 WeakPolarHBondContact CG2-O 3.3Å; W304-I306 HydrophobicContact CE3-CD1 4.38Å; W304-I306 HydrophobicContact CE3-CG1 4.07Å; W304-I306 HydrophobicContact CH2-CD1 3.45Å; W304-I306 VanDerWaalsContact CH2-CD1 3.45Å; W304-I306 HydrophobicContact CH2-CG1 3.61Å; W304-I306 HydrophobicContact CZ2-CD1 4.41Å; W304-I306 HydrophobicContact CZ2-CG1 4.17Å; W304-I306 HydrophobicContact CZ3-CD1 3.4Å; W304-I306 VanDerWaalsContact CZ3-CD1 3.4Å; W304-I306 HydrophobicContact CZ3-CG1 3.52Å; W304-L317 HydrophobicContact CH2-CD2 4.44Å; W304-L317 HydrophobicContact CZ2-CD2 3.56Å; W304-L317 HydrophobicContact CZ2-CG 3.97Å; W304-N318 CarbonylContact C-O 3.58Å; W304-N318 WeakPolarHBondContact CA-O 3.38Å; W304-N318 VanDerWaalsContact CD1-O 3.24Å; W304-V354 HydrophobicContact CD2-CB 4.1Å; W304-V354 HydrophobicContact CD2-CG1 4.04Å; W304-V354 HydrophobicContact CD2-CG2 4.21Å; W304-V354 HydrophobicContact CE3-CB 4.2Å; W304-V354 HydrophobicContact CE3-CG1 3.61Å; W304-V354 HydrophobicContact CE3-CG2 4.47Å; W304-V354 HydrophobicContact CG-CG2 4.41Å; W304-V354 HydrophobicContact CH2-CB 3.84Å; W304-V354 HydrophobicContact CH2-CG1 3.31Å; W304-V354 HydrophobicContact CZ2-CB 3.8Å; W304-V354 HydrophobicContact CZ2-CG1 3.82Å; W304-V354 HydrophobicContact CZ3-CB 4.08Å; W304-V354 HydrophobicContact CZ3-CG1 3.22Å; W304-T356 VanDerWaalsContact CH2-OG1 3.27Å; W304-T356 WeakPolarHBondContact CH2-OG1 3.37Å; W304-T356 WeakPolarHBondContact CZ3-OG1 3.33Å; W304-D365 HydrophobicContact CZ2-CB 3.86Å; W304-D365 PolarHBondContact NE1-OD2 2.82Å |
| 305 | H | 75.4 | Confident | 66.5 | Low | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.185 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 122.5 | -173.4 | 177.5 | 94.9 | 0 | 0 | 0 | 110.6 | I294 D295 I302 L317 N318 W325 | I294-H305 WeakPolarHBondContact O-CA 3.48Å; D295-H305 IonicContact OD1-CE1 3.16Å; D295-H305 IonicContact OD1-CG 3.62Å; D295-H305 IonicContact OD1-ND1 2.72Å; D295-H305 PolarHBondContact OD1-ND1 2.89Å; I302-H305 HydrophobicContact CG2-CB 4.34Å; H305-L317 WeakPolarHBondContact O-CA 3.5Å; H305-N318 HydrophobicContact CB-CB 4.13Å; H305-N318 PolarHBondContact N-O 2.91Å; H305-N318 PolarHBondContact O-N 3.28Å; H305-W325 HydrophobicContact CB-CH2 4.26Å; H305-W325 HydrophobicContact CB-CZ3 4.41Å |
| 306 | I | 75 | Confident | 66.7 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130 | 162.7 | -53 | 169.3 | 0 | 0 | 0 | 108.7 | L293 I294 W304 W315 V316 L317 T356 | L293-I306 CarbonylContact C-O 3.59Å; L293-I306 WeakPolarHBondContact CA-O 3.37Å; I294-I306 HydrophobicContact CB-CB 4.17Å; I294-I306 HydrophobicContact CB-CD1 4.5Å; I294-I306 HydrophobicContact CD1-CD1 4.29Å; I294-I306 PolarHBondContact N-O 2.73Å; I294-I306 PolarHBondContact O-N 2.84Å; W304-I306 HydrophobicContact CE3-CD1 4.38Å; W304-I306 HydrophobicContact CE3-CG1 4.07Å; W304-I306 HydrophobicContact CH2-CD1 3.45Å; W304-I306 VanDerWaalsContact CH2-CD1 3.45Å; W304-I306 HydrophobicContact CH2-CG1 3.61Å; W304-I306 HydrophobicContact CZ2-CD1 4.41Å; W304-I306 HydrophobicContact CZ2-CG1 4.17Å; W304-I306 HydrophobicContact CZ3-CD1 3.4Å; W304-I306 VanDerWaalsContact CZ3-CD1 3.4Å; W304-I306 HydrophobicContact CZ3-CG1 3.52Å; I306-W315 HydrophobicContact CG2-CD2 4.42Å; I306-W315 HydrophobicContact CG2-CE3 3.59Å; I306-W315 HydrophobicContact CG2-CZ3 4.18Å; I306-V316 CarbonylContact C-O 3.59Å; I306-V316 WeakPolarHBondContact CA-O 3.4Å; I306-L317 HydrophobicContact CB-CD1 4.36Å; I306-L317 HydrophobicContact CG1-CD1 3.89Å; I306-L317 HydrophobicContact CG1-CG 4.17Å; I306-L317 HydrophobicContact CG2-CD1 3.99Å; I306-T356 HydrophobicContact CD1-CG2 3.64Å |
| 307 | R | 75 | Confident | 66.8 | Low | 113 Ų | 113 | 47.2 Ų | 47.2 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.8 | 162.6 | -180 | 177.7 | 172.5 | -169.2 | -4.7 | 110.3 | V291 T292 L293 D309 V316 | V291-R307 HydrophobicContact CG1-CG 3.79Å; T292-R307 CarbonylContact O-C 3.54Å; T292-R307 WeakPolarHBondContact O-CA 3.35Å; L293-R307 HydrophobicContact CD2-CB 3.85Å; L293-R307 HydrophobicContact CD2-CG 3.8Å; R307-D309 PolarHBondContact O-N 2.82Å; R307-V316 HydrophobicContact CB-CB 4.28Å; R307-V316 PolarHBondContact N-O 2.82Å; R307-V316 PolarHBondContact O-N 2.81Å |
| 308 | G | 72.5 | Confident | 67.4 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 109.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V291 T292 M333 | V291-G308 WeakPolarHBondContact CA-O 3.3Å; T292-G308 PolarHBondContact N-O 3.49Å; T292-G308 PolarHBondContact O-N 2.94Å; G308-M333 VanDerWaalsContact CA-CE 3.46Å |
| 309 | D | 72.1 | Confident | 68 | Low | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 90.6 | 167.4 | -174.1 | -23 | 0 | 0 | 0 | 108.9 | R307 A311 N312 S313 R314 | R307-D309 PolarHBondContact O-N 2.82Å; D309-A311 PolarHBondContact O-N 3.35Å; D309-A311 WeakPolarHBondContact OD1-CB 3.16Å; D309-A311 PolarHBondContact OD1-N 3.34Å; D309-A311 VanDerWaalsContact OD1-N 3.07Å; D309-N312 PolarHBondContact OD1-N 2.85Å; D309-N312 PolarHBondContact OD2-ND2 3.04Å; D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 PolarHBondContact O-N 3.17Å; D309-R314 WeakPolarHBondContact CA-O 3.46Å; D309-R314 WeakPolarHBondContact CB-O 3.32Å; D309-R314 PolarHBondContact N-O 2.69Å; D309-R314 PolarHBondContact O-N 3.06Å |
| 310 | Y | 64.2 | Low | 68.4 | Low | 26 Ų | 26 | 43.8 Ų | 43.8 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.3 | -179.7 | -59.6 | -70.6 | 0 | 0 | 0 | 113.2 | L285 T292 W315 M333 K337 | L285-Y310 HydrophobicContact CD1-CD1 4.27Å; L285-Y310 HydrophobicContact CD1-CE1 3.86Å; L285-Y310 HydrophobicContact CD2-CE1 4.38Å; L285-Y310 HydrophobicContact CD2-CE2 3.86Å; T292-Y310 WeakPolarHBondContact CB-OH 3.33Å; T292-Y310 WeakPolarHBondContact OG1-CE2 3.36Å; T292-Y310 PolarHBondContact OG1-OH 2.86Å; Y310-W315 HydrophobicContact CE1-CH2 4.14Å; Y310-M333 HydrophobicContact CD1-CE 3.42Å; Y310-M333 VanDerWaalsContact CD1-CE 3.42Å; Y310-M333 HydrophobicContact CD1-SD 3.6Å; Y310-M333 HydrophobicContact CE1-CE 3.46Å; Y310-M333 VanDerWaalsContact CE1-CE 3.46Å; Y310-M333 HydrophobicContact CE1-SD 4.06Å; Y310-M333 HydrophobicContact CG-CE 4.09Å; Y310-M333 HydrophobicContact CG-SD 4.43Å; Y310-K337 WeakPolarHBondContact O-CE 3.39Å; Y310-K337 PolarHBondContact O-NZ 3.5Å |
| 311 | A | 63 | Low | 68.7 | Low | 38 Ų | 38 | 36 Ų | 36 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -61.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | D309 S313 | D309-A311 PolarHBondContact O-N 3.35Å; D309-A311 WeakPolarHBondContact OD1-CB 3.16Å; D309-A311 PolarHBondContact OD1-N 3.34Å; D309-A311 VanDerWaalsContact OD1-N 3.07Å; A311-S313 PolarHBondContact O-N 3.19Å; A311-S313 VanDerWaalsContact O-N 3.1Å |
| 312 | N | 69.2 | Low | 68.6 | Low | 47 Ų | 47 | 37.2 Ų | 37.2 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -1.7 | -179.5 | -67.5 | -59.5 | 0 | 0 | 0 | 114.3 | D309 V2160 | D309-N312 PolarHBondContact OD1-N 2.85Å; D309-N312 PolarHBondContact OD2-ND2 3.04Å; N312-V2160 WeakPolarHBondContact OD1-CA 3.45Å; N312-V2160 WeakPolarHBondContact OD1-CG2 3.05Å |
| 313 | S | 69.8 | Low | 68.2 | Low | 55 Ų | 55 | 42 Ų | 42 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 49.7 | -175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | D309 A311 M333 | D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 PolarHBondContact O-N 3.17Å; A311-S313 PolarHBondContact O-N 3.19Å; A311-S313 VanDerWaalsContact O-N 3.1Å; S313-M333 WeakPolarHBondContact O-CB 3.04Å; S313-M333 PolarHBondContact O-N 3.13Å |
| 314 | R | 72.1 | Confident | 67.6 | Low | 122 Ų | 122 | 48.4 Ų | 48.4 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141 | -178.1 | -69.4 | 175.5 | -166.6 | -175 | 5 | 112.9 | D309 E331 M333 | D309-R314 WeakPolarHBondContact CA-O 3.46Å; D309-R314 WeakPolarHBondContact CB-O 3.32Å; D309-R314 PolarHBondContact N-O 2.69Å; D309-R314 PolarHBondContact O-N 3.06Å; R314-E331 CarbonylContact C-O 3.59Å; R314-E331 VanDerWaalsContact CA-O 3.25Å; R314-E331 WeakPolarHBondContact CA-O 3.31Å; R314-M333 WeakPolarHBondContact O-CE 3.32Å |
| 315 | W | 74.3 | Confident | 66.8 | Low | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.9 | 158.4 | -61.4 | 113.1 | 0 | 0 | 0 | 108.8 | I306 Y310 L317 Y330 E331 M333 I335 I358 I363 | I306-W315 HydrophobicContact CG2-CD2 4.42Å; I306-W315 HydrophobicContact CG2-CE3 3.59Å; I306-W315 HydrophobicContact CG2-CZ3 4.18Å; Y310-W315 HydrophobicContact CE1-CH2 4.14Å; W315-L317 HydrophobicContact CB-CD1 4.28Å; W315-Y330 CarbonylContact O-C 3.52Å; W315-Y330 WeakPolarHBondContact O-CA 3.17Å; W315-E331 HydrophobicContact CB-CB 4.38Å; W315-E331 PolarHBondContact N-O 3.42Å; W315-E331 PolarHBondContact O-N 3.32Å; W315-M333 HydrophobicContact CD2-CE 3.72Å; W315-M333 HydrophobicContact CD2-CG 4.17Å; W315-M333 HydrophobicContact CE3-CE 3.75Å; W315-M333 HydrophobicContact CG-CE 4.4Å; W315-M333 HydrophobicContact CG-CG 4.14Å; W315-M333 HydrophobicContact CH2-CE 3.88Å; W315-M333 HydrophobicContact CZ2-CE 3.84Å; W315-M333 HydrophobicContact CZ2-CG 4.37Å; W315-M333 HydrophobicContact CZ3-CE 3.84Å; W315-I335 HydrophobicContact CZ2-CD1 4.12Å; W315-I358 HydrophobicContact CD2-CD1 4.23Å; W315-I358 HydrophobicContact CE3-CD1 4.22Å; W315-I358 HydrophobicContact CH2-CD1 3.44Å; W315-I358 VanDerWaalsContact CH2-CD1 3.44Å; W315-I358 HydrophobicContact CH2-CG2 4.39Å; W315-I358 HydrophobicContact CZ2-CB 4.29Å; W315-I358 HydrophobicContact CZ2-CD1 3.43Å; W315-I358 VanDerWaalsContact CZ2-CD1 3.43Å; W315-I358 HydrophobicContact CZ2-CG1 4.41Å; W315-I358 HydrophobicContact CZ2-CG2 4.05Å; W315-I358 HydrophobicContact CZ3-CD1 3.84Å; W315-I363 HydrophobicContact CB-CD1 3.84Å; W315-I363 HydrophobicContact CD2-CD1 4.04Å; W315-I363 HydrophobicContact CG-CD1 3.52Å |
| 316 | V | 73 | Confident | 66 | Low | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.5 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 107.3 | I306 R307 D328 Y330 | I306-V316 CarbonylContact C-O 3.59Å; I306-V316 WeakPolarHBondContact CA-O 3.4Å; R307-V316 HydrophobicContact CB-CB 4.28Å; R307-V316 PolarHBondContact N-O 2.82Å; R307-V316 PolarHBondContact O-N 2.81Å; V316-D328 HydrophobicContact CG1-CB 3.79Å; V316-D328 VanDerWaalsContact CG1-CG 3.43Å; V316-D328 WeakPolarHBondContact CG1-OD2 3.42Å; V316-Y330 HydrophobicContact CG1-CD1 4.46Å; V316-Y330 HydrophobicContact CG1-CE1 4.29Å; V316-Y330 HydrophobicContact CG2-CD1 4.02Å; V316-Y330 HydrophobicContact CG2-CE1 4.28Å |
| 317 | L | 73.7 | Confident | 65 | Low | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.8 | 177.8 | -97.9 | 67.5 | 0 | 0 | 0 | 111 | W304 H305 I306 W315 D328 R329 I363 D365 | W304-L317 HydrophobicContact CH2-CD2 4.44Å; W304-L317 HydrophobicContact CZ2-CD2 3.56Å; W304-L317 HydrophobicContact CZ2-CG 3.97Å; H305-L317 WeakPolarHBondContact O-CA 3.5Å; I306-L317 HydrophobicContact CB-CD1 4.36Å; I306-L317 HydrophobicContact CG1-CD1 3.89Å; I306-L317 HydrophobicContact CG1-CG 4.17Å; I306-L317 HydrophobicContact CG2-CD1 3.99Å; W315-L317 HydrophobicContact CB-CD1 4.28Å; L317-D328 WeakPolarHBondContact O-CA 3.42Å; L317-R329 HydrophobicContact CB-CB 4.13Å; L317-R329 PolarHBondContact N-O 3.42Å; L317-R329 PolarHBondContact O-N 3.36Å; L317-I363 HydrophobicContact CD1-CD1 4.26Å; L317-I363 HydrophobicContact CD1-CG2 3.83Å; L317-I363 HydrophobicContact CD2-CG2 3.42Å; L317-I363 VanDerWaalsContact CD2-CG2 3.42Å; L317-I363 HydrophobicContact CG-CG2 4.28Å; L317-D365 HydrophobicContact CD2-CB 4.26Å |
| 318 | N | 71.6 | Confident | 64.4 | Low | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.7 | 173.1 | -100 | -36.7 | 0 | 0 | 0 | 111 | W304 H305 W325 E326 D328 | W304-N318 CarbonylContact C-O 3.58Å; W304-N318 WeakPolarHBondContact CA-O 3.38Å; W304-N318 VanDerWaalsContact CD1-O 3.24Å; H305-N318 HydrophobicContact CB-CB 4.13Å; H305-N318 PolarHBondContact N-O 2.91Å; H305-N318 PolarHBondContact O-N 3.28Å; N318-W325 HydrophobicContact CB-CD2 4.44Å; N318-W325 HydrophobicContact CB-CE3 3.67Å; N318-W325 HydrophobicContact CB-CZ3 3.83Å; N318-E326 PolarHBondContact OD1-O 3.01Å; N318-D328 VanDerWaalsContact CG-OD1 3.22Å; N318-D328 PolarHBondContact ND2-OD1 3.24Å; N318-D328 PolarHBondContact OD1-OD1 2.87Å |
| 319 | S | 68.6 | Low | 64.1 | Low | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 173.5 | -92.2 | 0 | 0 | 0 | 0 | 110.4 | E326 D365 | S319-E326 PolarHBondContact O-N 3.01Å; S319-D365 PolarHBondContact OG-OD2 2.84Å |
| 320 | W | 61.8 | Low | 63.9 | Low | 46 Ų | 46 | 67 Ų | 67 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 112.3 | 173.8 | -174.2 | -102 | 0 | 0 | 0 | 110.3 | V303 K324 W325 F2172 | V303-W320 PolarHBondContact O-N 2.93Å; W320-K324 WeakPolarHBondContact CA-O 3.41Å; W320-K324 VanDerWaalsContact CE3-C 3.46Å; W320-W325 HydrophobicContact CB-CE3 4.16Å; W320-W325 HydrophobicContact CB-CH2 4.48Å; W320-W325 HydrophobicContact CB-CZ3 4.02Å; W320-W325 AromaticContact CE3-CD1 3.84Å; W320-W325 AromaticContact CE3-CD2 3.65Å; W320-W325 HydrophobicContact CE3-CD2 3.65Å; W320-W325 AromaticContact CE3-CE2 3.67Å; W320-W325 HydrophobicContact CE3-CE3 4.2Å; W320-W325 AromaticContact CE3-CG 3.77Å; W320-W325 HydrophobicContact CE3-CG 3.77Å; W320-W325 HydrophobicContact CE3-CZ2 4.25Å; W320-W325 AromaticContact CE3-NE1 3.76Å; W320-W325 AromaticContact CZ3-CD1 3.63Å; W320-W325 HydrophobicContact CZ3-CD2 4.23Å; W320-W325 HydrophobicContact CZ3-CG 4.01Å; W320-W325 AromaticContact CZ3-NE1 3.6Å; W320-F2172 HydrophobicContact CH2-CE1 4.31Å; W320-F2172 AromaticContact CH2-CZ 3.8Å; W320-F2172 HydrophobicContact CH2-CZ 3.8Å; W320-F2172 HydrophobicContact CZ2-CZ 4.31Å |
| 321 | I | 55.9 | Low | 64.2 | Low | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.138 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.6 | -172.8 | -58.7 | 136.1 | 0 | 0 | 0 | 107.8 | K323 K324 E326 V367 Q369 | I321-K323 PolarHBondContact O-N 3.01Å; I321-K324 PolarHBondContact N-O 2.83Å; I321-K324 PolarHBondContact O-N 2.94Å; I321-E326 HydrophobicContact CD1-CB 4.04Å; I321-E326 HydrophobicContact CD1-CG 3.86Å; I321-V367 HydrophobicContact CD1-CB 3.94Å; I321-V367 HydrophobicContact CD1-CG1 3.42Å; I321-V367 VanDerWaalsContact CD1-CG1 3.42Å; I321-V367 HydrophobicContact CG1-CG1 3.98Å; I321-V367 WeakPolarHBondContact CG1-O 3.44Å; I321-Q369 HydrophobicContact CG2-CG 4.32Å |
| 322 | D | 53.7 | Low | 64.7 | Low | 124 Ų | 124 | 74.5 Ų | 74.5 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 39.7 | 178.2 | -62 | -34.5 | 0 | 0 | 0 | 114.2 | K324 Q369 | D322-K324 VanDerWaalsContact C-N 3.33Å; D322-K324 PolarHBondContact O-N 2.88Å; D322-Q369 PolarHBondContact OD1-NE2 3.22Å |
| 323 | K | 52.1 | Low | 64.8 | Low | 150 Ų | 150 | 73.2 Ų | 73.2 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 27.6 | -179.5 | -50.3 | 176.6 | -177.2 | 176.4 | 0 | 114.7 | I321 | I321-K323 PolarHBondContact O-N 3.01Š|
| 324 | K | 53.3 | Low | 64.8 | Low | 148 Ų | 148 | 78.8 Ų | 78.8 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.9 | 173.4 | -63 | 175.9 | -174.1 | 168.4 | 0 | 110.3 | W320 I321 D322 | W320-K324 WeakPolarHBondContact CA-O 3.41Å; W320-K324 VanDerWaalsContact CE3-C 3.46Å; I321-K324 PolarHBondContact N-O 2.83Å; I321-K324 PolarHBondContact O-N 2.94Å; D322-K324 VanDerWaalsContact C-N 3.33Å; D322-K324 PolarHBondContact O-N 2.88Å |
| 325 | W | 55.9 | Low | 64.3 | Low | 104 Ų | 104 | 74.3 Ų | 74.3 | 39% | 0.394 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.1 | 160.5 | -67.8 | 114.4 | 0 | 0 | 0 | 109.4 | I302 H305 N318 W320 | I302-W325 HydrophobicContact CB-CH2 4Å; I302-W325 HydrophobicContact CB-CZ2 4.28Å; I302-W325 HydrophobicContact CG2-CH2 3.78Å; I302-W325 HydrophobicContact CG2-CZ2 4.46Å; I302-W325 WeakPolarHBondContact O-CH2 3.5Å; H305-W325 HydrophobicContact CB-CH2 4.26Å; H305-W325 HydrophobicContact CB-CZ3 4.41Å; N318-W325 HydrophobicContact CB-CD2 4.44Å; N318-W325 HydrophobicContact CB-CE3 3.67Å; N318-W325 HydrophobicContact CB-CZ3 3.83Å; W320-W325 HydrophobicContact CB-CE3 4.16Å; W320-W325 HydrophobicContact CB-CH2 4.48Å; W320-W325 HydrophobicContact CB-CZ3 4.02Å; W320-W325 AromaticContact CE3-CD1 3.84Å; W320-W325 AromaticContact CE3-CD2 3.65Å; W320-W325 HydrophobicContact CE3-CD2 3.65Å; W320-W325 AromaticContact CE3-CE2 3.67Å; W320-W325 HydrophobicContact CE3-CE3 4.2Å; W320-W325 AromaticContact CE3-CG 3.77Å; W320-W325 HydrophobicContact CE3-CG 3.77Å; W320-W325 HydrophobicContact CE3-CZ2 4.25Å; W320-W325 AromaticContact CE3-NE1 3.76Å; W320-W325 AromaticContact CZ3-CD1 3.63Å; W320-W325 HydrophobicContact CZ3-CD2 4.23Å; W320-W325 HydrophobicContact CZ3-CG 4.01Å; W320-W325 AromaticContact CZ3-NE1 3.6Å |
| 326 | E | 59.2 | Low | 63.4 | Low | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | trans | -64.1 | 177.7 | 161 | -119.1 | -163.2 | -173.1 | 0 | 0 | 110.6 | N318 S319 I321 R329 | N318-E326 PolarHBondContact OD1-O 3.01Å; S319-E326 PolarHBondContact O-N 3.01Å; I321-E326 HydrophobicContact CD1-CB 4.04Å; I321-E326 HydrophobicContact CD1-CG 3.86Å; E326-R329 IonicContact OE1-NH2 2.9Å; E326-R329 IonicContact OE2-CZ 3.92Å; E326-R329 IonicContact OE2-NE 2.7Å; E326-R329 PolarHBondContact OE2-NE 2.95Å; E326-R329 IonicContact OE2-NH2 3.2Å; E326-R329 PolarHBondContact OE2-NH2 3.01Å | ||
| 327 | K | 54.1 | Low | 62.4 | Low | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | trans | -71.2 | 141.2 | 167.1 | -90.3 | -173.6 | 172.1 | -177.6 | 0 | 109.9 | R329 | K327-R329 PolarHBondContact O-N 3.22Š| ||
| 328 | D | 61.5 | Low | 61.2 | Low | 28 Ų | 28 | 85.1 Ų | 85.1 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | trans | -47 | 126.6 | 172.7 | -75.2 | 21.8 | 0 | 0 | 0 | 110.8 | V316 L317 N318 Y330 R2167 | V316-D328 HydrophobicContact CG1-CB 3.79Å; V316-D328 VanDerWaalsContact CG1-CG 3.43Å; V316-D328 WeakPolarHBondContact CG1-OD2 3.42Å; L317-D328 WeakPolarHBondContact O-CA 3.42Å; N318-D328 VanDerWaalsContact CG-OD1 3.22Å; N318-D328 PolarHBondContact ND2-OD1 3.24Å; N318-D328 PolarHBondContact OD1-OD1 2.87Å; D328-Y330 HydrophobicContact CB-CD2 4.38Å; D328-Y330 HydrophobicContact CB-CE1 4.03Å; D328-Y330 HydrophobicContact CB-CE2 3.65Å; D328-Y330 VanDerWaalsContact CB-CZ 3.45Å; D328-Y330 WeakPolarHBondContact CB-OH 3.25Å; D328-Y330 WeakPolarHBondContact O-CD2 3.3Å; D328-Y330 VanDerWaalsContact O-CE2 3.26Å; D328-Y330 WeakPolarHBondContact O-CE2 3.34Å; D328-R2167 IonicContact OD1-CZ 2.66Å; D328-R2167 IonicContact OD1-NH1 3.13Å; D328-R2167 PolarHBondContact OD1-NH1 3.04Å; D328-R2167 IonicContact OD1-NH2 3.82Å; D328-R2167 PolarHBondContact OD1-NH2 2.91Å; D328-R2167 IonicContact OD2-CZ 2.98Å; D328-R2167 IonicContact OD2-NH2 2.73Å; D328-R2167 PolarHBondContact OD2-NH2 2.78Å | ||
| 329 | R | 67 | Low | 60.3 | Low | 105 Ų | 105 | 87.6 Ų | 87.6 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115 | 169.2 | -63.7 | -177.3 | -176.8 | -151.8 | -1.7 | 107.8 | L317 E326 K327 | L317-R329 HydrophobicContact CB-CB 4.13Å; L317-R329 PolarHBondContact N-O 3.42Å; L317-R329 PolarHBondContact O-N 3.36Å; E326-R329 IonicContact OE1-NH2 2.9Å; E326-R329 IonicContact OE2-CZ 3.92Å; E326-R329 IonicContact OE2-NE 2.7Å; E326-R329 PolarHBondContact OE2-NE 2.95Å; E326-R329 IonicContact OE2-NH2 3.2Å; E326-R329 PolarHBondContact OE2-NH2 3.01Å; K327-R329 PolarHBondContact O-N 3.22Å |
| 330 | Y | 67.6 | Low | 59.5 | Low | 102 Ų | 102 | 89.3 Ų | 89.3 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113 | 178.4 | -47.2 | -98.1 | 0 | 0 | 0 | 109.5 | W315 V316 D328 D2164 | W315-Y330 CarbonylContact O-C 3.52Å; W315-Y330 WeakPolarHBondContact O-CA 3.17Å; V316-Y330 HydrophobicContact CG1-CD1 4.46Å; V316-Y330 HydrophobicContact CG1-CE1 4.29Å; V316-Y330 HydrophobicContact CG2-CD1 4.02Å; V316-Y330 HydrophobicContact CG2-CE1 4.28Å; D328-Y330 HydrophobicContact CB-CD2 4.38Å; D328-Y330 HydrophobicContact CB-CE1 4.03Å; D328-Y330 HydrophobicContact CB-CE2 3.65Å; D328-Y330 VanDerWaalsContact CB-CZ 3.45Å; D328-Y330 WeakPolarHBondContact CB-OH 3.25Å; D328-Y330 WeakPolarHBondContact O-CD2 3.3Å; D328-Y330 VanDerWaalsContact O-CE2 3.26Å; D328-Y330 WeakPolarHBondContact O-CE2 3.34Å; Y330-D2164 PolarHBondContact OH-OD1 3.27Å; Y330-D2164 VanDerWaalsContact OH-OD1 3.12Å; Y330-D2164 PolarHBondContact OH-OD2 3.18Å |
| 331 | E | 70.8 | Confident | 59.4 | Low | 73 Ų | 73 | 91.2 Ų | 91.2 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 143.4 | 163.4 | -84 | -158.2 | -162 | 0 | 0 | 110.3 | R314 W315 Q361 I363 | R314-E331 CarbonylContact C-O 3.59Å; R314-E331 VanDerWaalsContact CA-O 3.25Å; R314-E331 WeakPolarHBondContact CA-O 3.31Å; W315-E331 HydrophobicContact CB-CB 4.38Å; W315-E331 PolarHBondContact N-O 3.42Å; W315-E331 PolarHBondContact O-N 3.32Å; E331-Q361 PolarHBondContact OE2-NE2 2.83Å; E331-I363 HydrophobicContact CG-CG2 4.47Å |
| 332 | Q | 74.2 | Confident | 59.6 | Low | 150 Ų | 150 | 93.5 Ų | 93.5 | 70% | 0.701 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.3 | 174.5 | -167.2 | 165.6 | -6.8 | 0 | 0 | 110 | K334 Q361 | Q332-K334 PolarHBondContact O-N 3.03Å; Q332-Q361 PolarHBondContact O-NE2 2.86Å; Q332-Q361 PolarHBondContact O-OE1 2.55Å |
| 333 | M | 71.4 | Confident | 60 | Low | 20 Ų | 20 | 88 Ų | 88 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 124 | 174.6 | -74.7 | 171.8 | 167.7 | 0 | 0 | 109.8 | G308 Y310 S313 R314 W315 | G308-M333 VanDerWaalsContact CA-CE 3.46Å; Y310-M333 HydrophobicContact CD1-CE 3.42Å; Y310-M333 VanDerWaalsContact CD1-CE 3.42Å; Y310-M333 HydrophobicContact CD1-SD 3.6Å; Y310-M333 HydrophobicContact CE1-CE 3.46Å; Y310-M333 VanDerWaalsContact CE1-CE 3.46Å; Y310-M333 HydrophobicContact CE1-SD 4.06Å; Y310-M333 HydrophobicContact CG-CE 4.09Å; Y310-M333 HydrophobicContact CG-SD 4.43Å; S313-M333 WeakPolarHBondContact O-CB 3.04Å; S313-M333 PolarHBondContact O-N 3.13Å; R314-M333 WeakPolarHBondContact O-CE 3.32Å; W315-M333 HydrophobicContact CD2-CE 3.72Å; W315-M333 HydrophobicContact CD2-CG 4.17Å; W315-M333 HydrophobicContact CE3-CE 3.75Å; W315-M333 HydrophobicContact CG-CE 4.4Å; W315-M333 HydrophobicContact CG-CG 4.14Å; W315-M333 HydrophobicContact CH2-CE 3.88Å; W315-M333 HydrophobicContact CZ2-CE 3.84Å; W315-M333 HydrophobicContact CZ2-CG 4.37Å; W315-M333 HydrophobicContact CZ3-CE 3.84Å |
| 334 | K | 69.5 | Low | 60.9 | Low | 172 Ų | 172 | 84.3 Ų | 84.3 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | trans | -89.9 | -7.6 | 169.2 | -62.4 | 176 | -177.2 | 169.7 | 0 | 112.3 | Q332 Q361 | Q332-K334 PolarHBondContact O-N 3.03Å; K334-Q361 HydrophobicContact CB-CB 4.47Å | ||
| 335 | I | 60.6 | Low | 61.6 | Low | 27 Ų | 27 | 77.6 Ų | 77.6 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -84.7 | 117.1 | -178.8 | -50.5 | -176.8 | 0 | 0 | 0 | 108.9 | W315 F343 I358 D359 | W315-I335 HydrophobicContact CZ2-CD1 4.12Å; I335-F343 HydrophobicContact CG2-CD1 3.62Å; I335-F343 HydrophobicContact CG2-CE1 3.24Å; I335-F343 HydrophobicContact CG2-CZ 4Å; I335-I358 HydrophobicContact CD1-CB 3.83Å; I335-I358 HydrophobicContact CD1-CG2 3.33Å; I335-I358 WeakPolarHBondContact CD1-O 3.45Å; I335-D359 HydrophobicContact CD1-CB 4.08Å; I335-D359 HydrophobicContact CG1-CB 4.41Å |
| 336 | A | 55.9 | Low | 62.3 | Low | 60 Ų | 60 | 74.3 Ų | 74.3 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | trans | -66.2 | 133.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V338 | A336-V338 HydrophobicContact CB-CG2 4.23Å; A336-V338 PolarHBondContact O-N 3.34Å | ||
| 337 | K | 51.6 | Low | 62.7 | Low | 121 Ų | 121 | 70.6 Ų | 70.6 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | trans | -55.9 | 109.8 | 163.6 | -92 | -179.2 | 166.1 | 166.8 | 0 | 109.1 | Y310 | Y310-K337 WeakPolarHBondContact O-CE 3.39Å; Y310-K337 PolarHBondContact O-NZ 3.5Å | ||
| 338 | V | 48.9 | Very low | 63.4 | Low | 71 Ų | 71 | 65.7 Ų | 65.7 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -139.8 | 107.2 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | A336 G340 R341 | A336-V338 HydrophobicContact CB-CG2 4.23Å; A336-V338 PolarHBondContact O-N 3.34Å; V338-G340 PolarHBondContact O-N 2.79Å; V338-R341 HydrophobicContact CB-CB 3.88Å; V338-R341 HydrophobicContact CG1-CB 3.94Å; V338-R341 VanDerWaalsContact O-CB 3.32Å; V338-R341 WeakPolarHBondContact O-CB 3.45Å; V338-R341 PolarHBondContact O-N 3.34Å; V338-R341 VanDerWaalsContact O-N 3.15Å | ||
| 339 | D | 53.5 | Low | 63.5 | Low | 73 Ų | 73 | 65 Ų | 65 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 133.7 | -176.9 | -69.5 | -12.2 | 0 | 0 | 0 | 111.2 | P287 R341 | P287-D339 WeakPolarHBondContact CA-OD2 3.4Å; P287-D339 HydrophobicContact CG-CB 4.36Å; D339-R341 PolarHBondContact O-N 2.85Å |
| 340 | G | 51.7 | Low | 63.3 | Low | 38 Ų | 38 | 62.7 Ų | 62.7 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | -0.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L285 V338 L342 | L285-G340 PolarHBondContact O-N 2.93Å; V338-G340 PolarHBondContact O-N 2.79Å; G340-L342 PolarHBondContact O-N 2.84Å |
| 341 | R | 59.1 | Low | 62.8 | Low | 87 Ų | 87 | 61.4 Ų | 61.4 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | trans | -66.3 | 131.7 | 169.8 | 174.7 | 171.3 | 178.4 | -142.9 | -5.7 | 109.9 | S284 V338 D339 F343 D359 | S284-R341 WeakPolarHBondContact CA-O 3.49Å; S284-R341 WeakPolarHBondContact CB-O 3.49Å; V338-R341 HydrophobicContact CB-CB 3.88Å; V338-R341 HydrophobicContact CG1-CB 3.94Å; V338-R341 VanDerWaalsContact O-CB 3.32Å; V338-R341 WeakPolarHBondContact O-CB 3.45Å; V338-R341 PolarHBondContact O-N 3.34Å; V338-R341 VanDerWaalsContact O-N 3.15Å; D339-R341 PolarHBondContact O-N 2.85Å; R341-F343 HydrophobicContact CB-CE1 4.14Å; R341-F343 HydrophobicContact CB-CE2 4.38Å; R341-F343 HydrophobicContact CB-CZ 3.84Å; R341-F343 HydrophobicContact CG-CD1 4.19Å; R341-F343 HydrophobicContact CG-CE1 3.69Å; R341-F343 HydrophobicContact CG-CZ 3.93Å; R341-F343 WeakPolarHBondContact O-CD2 3.26Å; R341-F343 WeakPolarHBondContact O-CE2 3.36Å; R341-D359 IonicContact CZ-OD1 2.6Å; R341-D359 IonicContact CZ-OD2 2.8Å; R341-D359 IonicContact NH1-OD2 2.62Å; R341-D359 PolarHBondContact NH1-OD2 2.94Å; R341-D359 IonicContact NH2-OD1 2.61Å; R341-D359 PolarHBondContact NH2-OD1 3.45Å; R341-D359 IonicContact NH2-OD2 3.41Å; R341-D359 PolarHBondContact NH2-OD2 3.24Å | ||
| 342 | L | 60.5 | Low | 62 | Low | 75 Ų | 75 | 58.5 Ų | 58.5 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.5 | 167.4 | -87.1 | 75.8 | 0 | 0 | 0 | 110.9 | Q282 V283 G340 H386 | Q282-L342 HydrophobicContact CB-CD2 4.26Å; V283-L342 CarbonylContact O-C 3.57Å; V283-L342 WeakPolarHBondContact O-CA 3.42Å; G340-L342 PolarHBondContact O-N 2.84Å; L342-H386 HydrophobicContact CD2-CB 4.11Å |
| 343 | F | 61.9 | Low | 61.4 | Low | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.3 | 171.3 | -45 | -78.7 | 0 | 0 | 0 | 108.2 | V283 L285 I335 R341 D359 | V283-F343 PolarHBondContact N-O 2.8Å; V283-F343 WeakPolarHBondContact O-CD2 3.29Å; V283-F343 PolarHBondContact O-N 3.23Å; L285-F343 HydrophobicContact CB-CE2 4.39Å; L285-F343 HydrophobicContact CD1-CE2 3.88Å; L285-F343 HydrophobicContact CD1-CZ 4.34Å; L285-F343 HydrophobicContact CG-CE2 3.88Å; I335-F343 HydrophobicContact CG2-CD1 3.62Å; I335-F343 HydrophobicContact CG2-CE1 3.24Å; I335-F343 HydrophobicContact CG2-CZ 4Å; R341-F343 HydrophobicContact CB-CE1 4.14Å; R341-F343 HydrophobicContact CB-CE2 4.38Å; R341-F343 HydrophobicContact CB-CZ 3.84Å; R341-F343 HydrophobicContact CG-CD1 4.19Å; R341-F343 HydrophobicContact CG-CE1 3.69Å; R341-F343 HydrophobicContact CG-CZ 3.93Å; R341-F343 WeakPolarHBondContact O-CD2 3.26Å; R341-F343 WeakPolarHBondContact O-CE2 3.36Å; F343-D359 HydrophobicContact CB-CB 4.41Å; F343-D359 HydrophobicContact CD1-CB 4.23Å |
| 344 | N | 70.5 | Confident | 61.3 | Low | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.3 | 166.8 | -63.4 | -46.7 | 0 | 0 | 0 | 108.3 | M281 Q282 I358 D359 | M281-N344 CarbonylContact O-C 3.56Å; M281-N344 WeakPolarHBondContact O-CA 3.47Å; Q282-N344 WeakPolarHBondContact CG-OD1 3.29Å; Q282-N344 PolarHBondContact NE2-OD1 2.87Å; N344-I358 CarbonylContact O-C 3.55Å; N344-I358 WeakPolarHBondContact O-CA 3.41Å; N344-D359 PolarHBondContact O-N 2.88Å |
| 345 | V | 68.4 | Low | 61.3 | Low | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.7 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | S280 M281 V283 I294 I347 T356 T357 I358 | S280-V345 CarbonylContact C-O 3.52Å; S280-V345 WeakPolarHBondContact CA-O 3.49Å; M281-V345 HydrophobicContact CE-CB 3.6Å; M281-V345 HydrophobicContact CE-CG1 3.44Å; M281-V345 VanDerWaalsContact CE-CG1 3.44Å; M281-V345 HydrophobicContact CE-CG2 4.02Å; M281-V345 HydrophobicContact CG-CB 3.78Å; M281-V345 HydrophobicContact CG-CG1 4.46Å; M281-V345 PolarHBondContact N-O 2.82Å; M281-V345 PolarHBondContact O-N 2.91Å; V283-V345 HydrophobicContact CG2-CG2 3.75Å; I294-V345 HydrophobicContact CD1-CG1 3.99Å; V345-I347 HydrophobicContact CG1-CG1 4.24Å; V345-T356 HydrophobicContact CG1-CG2 4.25Å; V345-T357 CarbonylContact C-O 3.51Å; V345-T357 WeakPolarHBondContact CA-O 3.44Å; V345-I358 HydrophobicContact CG1-CG1 4.33Å; V345-I358 HydrophobicContact CG2-CG1 4.43Å; V345-I358 HydrophobicContact CG2-CG2 3.88Å |
| 346 | T | 71.1 | Confident | 62 | Low | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 103.6 | -177.9 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | L278 F279 S280 T356 T357 | L278-T346 HydrophobicContact CD1-CG2 3.4Å; L278-T346 VanDerWaalsContact CD1-CG2 3.4Å; L278-T346 HydrophobicContact CG-CG2 4.2Å; F279-T346 CarbonylContact O-C 3.52Å; F279-T346 WeakPolarHBondContact O-CA 3.47Å; S280-T346 PolarHBondContact OG-OG1 3.22Å; T346-T356 WeakPolarHBondContact O-CA 3.34Å; T346-T357 PolarHBondContact N-O 2.9Å; T346-T357 PolarHBondContact O-N 2.89Å |
| 347 | I | 68 | Low | 62.7 | Low | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103.2 | 177 | -49.8 | 168.2 | 0 | 0 | 0 | 108.1 | L278 F279 I294 V345 I349 V354 T356 V377 | L278-I347 CarbonylContact C-O 3.57Å; L278-I347 WeakPolarHBondContact CA-O 3.42Å; F279-I347 HydrophobicContact CB-CB 4.37Å; F279-I347 HydrophobicContact CD1-CD1 3.95Å; F279-I347 PolarHBondContact N-O 2.74Å; F279-I347 PolarHBondContact O-N 3.49Å; I294-I347 HydrophobicContact CG2-CD1 3.44Å; I294-I347 VanDerWaalsContact CG2-CD1 3.44Å; V345-I347 HydrophobicContact CG1-CG1 4.24Å; I347-I349 HydrophobicContact CG2-CG1 4.17Å; I347-V354 HydrophobicContact CG2-CG1 3.95Å; I347-T356 HydrophobicContact CG1-CG2 4.03Å; I347-V377 HydrophobicContact CD1-CG1 4.05Å |
| 348 | K | 68.6 | Low | 63.6 | Low | 56 Ų | 56 | 41 Ų | 41 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.7 | 167.6 | 168.5 | 164.3 | -178.6 | 170 | 0 | 109.3 | L277 L278 E350 I355 L393 | L277-K348 CarbonylContact O-C 3.59Å; L277-K348 VanDerWaalsContact O-CA 3.3Å; L277-K348 WeakPolarHBondContact O-CA 3.25Å; L278-K348 HydrophobicContact CD1-CB 3.9Å; K348-E350 WeakPolarHBondContact CE-OE1 3.41Å; K348-E350 WeakPolarHBondContact CE-OE2 3.43Å; K348-E350 HydrophobicContact CG-CB 4.46Å; K348-E350 IonicContact NZ-OE1 3.56Å; K348-E350 PolarHBondContact NZ-OE1 3.26Å; K348-E350 IonicContact NZ-OE2 3.82Å; K348-E350 PolarHBondContact NZ-OE2 3.39Å; K348-I355 HydrophobicContact CB-CB 4.13Å; K348-I355 HydrophobicContact CD-CD1 4.39Å; K348-I355 HydrophobicContact CG-CB 4.48Å; K348-I355 HydrophobicContact CG-CD1 4.38Å; K348-I355 PolarHBondContact N-O 2.96Å; K348-I355 PolarHBondContact O-N 2.88Å; K348-L393 HydrophobicContact CB-CD1 4.42Å; K348-L393 HydrophobicContact CD-CD1 3.5Å; K348-L393 VanDerWaalsContact CD-CD1 3.5Å; K348-L393 VanDerWaalsContact CE-CD1 3.42Å; K348-L393 HydrophobicContact CG-CD1 3.6Å |
| 349 | I | 62.7 | Low | 64.7 | Low | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.9 | 168.1 | -50.7 | -178.3 | 0 | 0 | 0 | 106.5 | S276 L277 V296 I347 K353 V354 V374 | S276-I349 CarbonylContact C-O 3.59Å; S276-I349 WeakPolarHBondContact CA-O 3.24Å; L277-I349 HydrophobicContact CB-CB 4.02Å; L277-I349 HydrophobicContact CB-CD1 4.43Å; L277-I349 HydrophobicContact CB-CG1 4.27Å; L277-I349 HydrophobicContact CD2-CD1 3.9Å; L277-I349 HydrophobicContact CD2-CG1 4.36Å; L277-I349 PolarHBondContact N-O 2.7Å; L277-I349 PolarHBondContact O-N 2.84Å; L277-I349 VanDerWaalsContact O-O 3.13Å; V296-I349 HydrophobicContact CG1-CD1 3.84Å; I347-I349 HydrophobicContact CG2-CG1 4.17Å; I349-K353 CarbonylContact C-O 3.56Å; I349-K353 WeakPolarHBondContact CA-O 3.49Å; I349-V354 HydrophobicContact CG1-CG1 4.01Å; I349-V354 HydrophobicContact CG1-CG2 4.23Å; I349-V354 HydrophobicContact CG2-CG2 4.29Å; I349-V374 HydrophobicContact CD1-CG1 4.44Å; I349-V374 HydrophobicContact CD1-CG2 3.77Å |
| 350 | E | 63.2 | Low | 65.3 | Low | 56 Ų | 56 | 42.8 Ų | 42.8 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 123.8 | -179.4 | -173.2 | 166.7 | -91.9 | 0 | 0 | 110.3 | K348 G352 K353 | K348-E350 WeakPolarHBondContact CE-OE1 3.41Å; K348-E350 WeakPolarHBondContact CE-OE2 3.43Å; K348-E350 HydrophobicContact CG-CB 4.46Å; K348-E350 IonicContact NZ-OE1 3.56Å; K348-E350 PolarHBondContact NZ-OE1 3.26Å; K348-E350 IonicContact NZ-OE2 3.82Å; K348-E350 PolarHBondContact NZ-OE2 3.39Å; E350-G352 PolarHBondContact O-N 2.99Å; E350-K353 PolarHBondContact N-O 2.91Å; E350-K353 WeakPolarHBondContact O-CB 3.46Å; E350-K353 PolarHBondContact O-N 2.83Å |
| 351 | D | 57.4 | Low | 66.2 | Low | 74 Ų | 74 | 41.2 Ų | 41.2 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.9 | 166.3 | -145.7 | 33.1 | 0 | 0 | 0 | 116.2 | K275 R370 | K275-D351 PolarHBondContact O-N 3.48Å; K275-D351 VanDerWaalsContact O-N 3.16Å; D351-R370 WeakPolarHBondContact O-CG 3.46Å; D351-R370 PolarHBondContact O-NE 2.9Å; D351-R370 IonicContact OD1-NH2 3.5Å; D351-R370 IonicContact OD2-CZ 2.7Å; D351-R370 IonicContact OD2-NE 3.75Å; D351-R370 IonicContact OD2-NH2 3.3Å; D351-R370 PolarHBondContact OD2-NH2 3.16Å |
| 352 | G | 53.4 | Low | 67 | Low | 13 Ų | 13 | 40.4 Ų | 40.4 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 4.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E350 A368 | E350-G352 PolarHBondContact O-N 2.99Å; G352-A368 CarbonylContact C-O 3.55Å; G352-A368 WeakPolarHBondContact CA-O 3.34Å; G352-A368 PolarHBondContact O-N 3.08Å |
| 353 | K | 61.6 | Low | 67.4 | Low | 96 Ų | 96 | 36.9 Ų | 36.9 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.3 | 175 | -54.6 | -173.8 | 175.5 | -150.5 | 0 | 110.4 | I349 E350 D365 N366 | I349-K353 CarbonylContact C-O 3.56Å; I349-K353 WeakPolarHBondContact CA-O 3.49Å; E350-K353 PolarHBondContact N-O 2.91Å; E350-K353 WeakPolarHBondContact O-CB 3.46Å; E350-K353 PolarHBondContact O-N 2.83Å; K353-D365 CarbonylContact C-O 3.57Å; K353-D365 WeakPolarHBondContact CA-O 3.27Å; K353-N366 VanDerWaalsContact CD-OD1 3.27Å; K353-N366 WeakPolarHBondContact CD-OD1 3.41Å; K353-N366 WeakPolarHBondContact CE-OD1 3.5Å; K353-N366 PolarHBondContact NZ-OD1 3Å |
| 354 | V | 69.3 | Low | 67.8 | Low | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.4 | 166.3 | -168 | 0 | 0 | 0 | 0 | 109.3 | W304 I347 I349 D365 A368 | W304-V354 HydrophobicContact CD2-CB 4.1Å; W304-V354 HydrophobicContact CD2-CG1 4.04Å; W304-V354 HydrophobicContact CD2-CG2 4.21Å; W304-V354 HydrophobicContact CE3-CB 4.2Å; W304-V354 HydrophobicContact CE3-CG1 3.61Å; W304-V354 HydrophobicContact CE3-CG2 4.47Å; W304-V354 HydrophobicContact CG-CG2 4.41Å; W304-V354 HydrophobicContact CH2-CB 3.84Å; W304-V354 HydrophobicContact CH2-CG1 3.31Å; W304-V354 HydrophobicContact CZ2-CB 3.8Å; W304-V354 HydrophobicContact CZ2-CG1 3.82Å; W304-V354 HydrophobicContact CZ3-CB 4.08Å; W304-V354 HydrophobicContact CZ3-CG1 3.22Å; I347-V354 HydrophobicContact CG2-CG1 3.95Å; I349-V354 HydrophobicContact CG1-CG1 4.01Å; I349-V354 HydrophobicContact CG1-CG2 4.23Å; I349-V354 HydrophobicContact CG2-CG2 4.29Å; V354-D365 PolarHBondContact N-O 3.14Å; V354-D365 PolarHBondContact O-N 3.09Å; V354-A368 HydrophobicContact CG2-CB 4.15Å |
| 355 | I | 70.6 | Confident | 67.7 | Low | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.205 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 98.6 | -176.1 | -62.1 | 165.4 | 0 | 0 | 0 | 106.1 | K348 T362 I363 V364 | K348-I355 HydrophobicContact CB-CB 4.13Å; K348-I355 HydrophobicContact CD-CD1 4.39Å; K348-I355 HydrophobicContact CG-CB 4.48Å; K348-I355 HydrophobicContact CG-CD1 4.38Å; K348-I355 PolarHBondContact N-O 2.96Å; K348-I355 PolarHBondContact O-N 2.88Å; I355-T362 HydrophobicContact CG2-CG2 3.57Å; I355-I363 CarbonylContact C-O 3.58Å; I355-I363 WeakPolarHBondContact CA-O 3.41Å; I355-V364 HydrophobicContact CG1-CG1 3.94Å; I355-V364 HydrophobicContact CG1-CG2 4.17Å; I355-V364 HydrophobicContact CG2-CG2 4.25Å |
| 356 | T | 73.4 | Confident | 67.5 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 107.7 | 176 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | W304 I306 V345 T346 I347 I358 I363 | W304-T356 VanDerWaalsContact CH2-OG1 3.27Å; W304-T356 WeakPolarHBondContact CH2-OG1 3.37Å; W304-T356 WeakPolarHBondContact CZ3-OG1 3.33Å; I306-T356 HydrophobicContact CD1-CG2 3.64Å; V345-T356 HydrophobicContact CG1-CG2 4.25Å; T346-T356 WeakPolarHBondContact O-CA 3.34Å; I347-T356 HydrophobicContact CG1-CG2 4.03Å; T356-I358 HydrophobicContact CG2-CD1 3.99Å; T356-I358 HydrophobicContact CG2-CG1 3.72Å; T356-I363 PolarHBondContact N-O 3.29Å; T356-I363 PolarHBondContact O-N 2.8Å |
| 357 | T | 70.7 | Confident | 66.6 | Low | 37 Ų | 37 | 40.5 Ų | 40.5 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.4 | 168.3 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | V345 T346 D359 Q361 T362 | V345-T357 CarbonylContact C-O 3.51Å; V345-T357 WeakPolarHBondContact CA-O 3.44Å; T346-T357 PolarHBondContact N-O 2.9Å; T346-T357 PolarHBondContact O-N 2.89Å; T357-D359 VanDerWaalsContact CG2-O 3.3Å; T357-D359 WeakPolarHBondContact CG2-O 3.11Å; T357-Q361 CarbonylContact C-O 3.58Å; T357-Q361 WeakPolarHBondContact CA-O 3.19Å; T357-T362 WeakPolarHBondContact OG1-CG2 3.43Å; T357-T362 PolarHBondContact OG1-OG1 2.85Å |
| 358 | I | 70.9 | Confident | 65.8 | Low | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 112.6 | 173.6 | -47.7 | -177.3 | 0 | 0 | 0 | 107.2 | W315 I335 N344 V345 T356 N360 Q361 I363 | W315-I358 HydrophobicContact CD2-CD1 4.23Å; W315-I358 HydrophobicContact CE3-CD1 4.22Å; W315-I358 HydrophobicContact CH2-CD1 3.44Å; W315-I358 VanDerWaalsContact CH2-CD1 3.44Å; W315-I358 HydrophobicContact CH2-CG2 4.39Å; W315-I358 HydrophobicContact CZ2-CB 4.29Å; W315-I358 HydrophobicContact CZ2-CD1 3.43Å; W315-I358 VanDerWaalsContact CZ2-CD1 3.43Å; W315-I358 HydrophobicContact CZ2-CG1 4.41Å; W315-I358 HydrophobicContact CZ2-CG2 4.05Å; W315-I358 HydrophobicContact CZ3-CD1 3.84Å; I335-I358 HydrophobicContact CD1-CB 3.83Å; I335-I358 HydrophobicContact CD1-CG2 3.33Å; I335-I358 WeakPolarHBondContact CD1-O 3.45Å; N344-I358 CarbonylContact O-C 3.55Å; N344-I358 WeakPolarHBondContact O-CA 3.41Å; V345-I358 HydrophobicContact CG1-CG1 4.33Å; V345-I358 HydrophobicContact CG2-CG1 4.43Å; V345-I358 HydrophobicContact CG2-CG2 3.88Å; T356-I358 HydrophobicContact CG2-CD1 3.99Å; T356-I358 HydrophobicContact CG2-CG1 3.72Å; I358-N360 PolarHBondContact O-N 3.39Å; I358-Q361 PolarHBondContact N-O 3.46Å; I358-Q361 PolarHBondContact O-N 3.02Å; I358-I363 HydrophobicContact CD1-CD1 4.45Å |
| 359 | D | 71.4 | Confident | 64.9 | Low | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -116.6 | -167 | -170 | 60.9 | 0 | 0 | 0 | 110.4 | I335 R341 F343 N344 T357 | I335-D359 HydrophobicContact CD1-CB 4.08Å; I335-D359 HydrophobicContact CG1-CB 4.41Å; R341-D359 IonicContact CZ-OD1 2.6Å; R341-D359 IonicContact CZ-OD2 2.8Å; R341-D359 IonicContact NH1-OD2 2.62Å; R341-D359 PolarHBondContact NH1-OD2 2.94Å; R341-D359 IonicContact NH2-OD1 2.61Å; R341-D359 PolarHBondContact NH2-OD1 3.45Å; R341-D359 IonicContact NH2-OD2 3.41Å; R341-D359 PolarHBondContact NH2-OD2 3.24Å; F343-D359 HydrophobicContact CB-CB 4.41Å; F343-D359 HydrophobicContact CD1-CB 4.23Å; N344-D359 PolarHBondContact O-N 2.88Å; T357-D359 VanDerWaalsContact CG2-O 3.3Å; T357-D359 WeakPolarHBondContact CG2-O 3.11Å |
| 360 | N | 66.2 | Low | 64 | Low | 146 Ų | 146 | 48.1 Ų | 48.1 | 78% | 0.781 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 16.5 | 175 | -70.4 | -36.8 | 0 | 0 | 0 | 114 | I358 | I358-N360 PolarHBondContact O-N 3.39Š|
| 361 | Q | 70.6 | Confident | 63.2 | Low | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 105.5 | 173.7 | 177.2 | 167 | 9.3 | 0 | 0 | 111.2 | E331 Q332 K334 T357 I358 I363 | E331-Q361 PolarHBondContact OE2-NE2 2.83Å; Q332-Q361 PolarHBondContact O-NE2 2.86Å; Q332-Q361 PolarHBondContact O-OE1 2.55Å; K334-Q361 HydrophobicContact CB-CB 4.47Å; T357-Q361 CarbonylContact C-O 3.58Å; T357-Q361 WeakPolarHBondContact CA-O 3.19Å; I358-Q361 PolarHBondContact N-O 3.46Å; I358-Q361 PolarHBondContact O-N 3.02Å; Q361-I363 HydrophobicContact CG-CG1 4.18Å |
| 362 | T | 76.4 | Confident | 62.8 | Low | 71 Ų | 71 | 51.3 Ų | 51.3 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.5 | 166.5 | -53.3 | 0 | 0 | 0 | 0 | 111 | I355 T357 V364 | I355-T362 HydrophobicContact CG2-CG2 3.57Å; T357-T362 WeakPolarHBondContact OG1-CG2 3.43Å; T357-T362 PolarHBondContact OG1-OG1 2.85Å; T362-V364 HydrophobicContact CG2-CG2 3.85Å |
| 363 | I | 70.3 | Confident | 62.7 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.4 | 171.3 | -46.9 | 173.4 | 0 | 0 | 0 | 107.1 | W315 L317 E331 I355 T356 I358 Q361 | W315-I363 HydrophobicContact CB-CD1 3.84Å; W315-I363 HydrophobicContact CD2-CD1 4.04Å; W315-I363 HydrophobicContact CG-CD1 3.52Å; L317-I363 HydrophobicContact CD1-CD1 4.26Å; L317-I363 HydrophobicContact CD1-CG2 3.83Å; L317-I363 HydrophobicContact CD2-CG2 3.42Å; L317-I363 VanDerWaalsContact CD2-CG2 3.42Å; L317-I363 HydrophobicContact CG-CG2 4.28Å; E331-I363 HydrophobicContact CG-CG2 4.47Å; I355-I363 CarbonylContact C-O 3.58Å; I355-I363 WeakPolarHBondContact CA-O 3.41Å; T356-I363 PolarHBondContact N-O 3.29Å; T356-I363 PolarHBondContact O-N 2.8Å; I358-I363 HydrophobicContact CD1-CD1 4.45Å; Q361-I363 HydrophobicContact CG-CG1 4.18Å |
| 364 | V | 70.3 | Confident | 62.2 | Low | 62 Ų | 62 | 49 Ų | 49 | 38% | 0.376 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113.3 | -178.6 | -175 | 0 | 0 | 0 | 0 | 111.5 | I355 T362 | I355-V364 HydrophobicContact CG1-CG1 3.94Å; I355-V364 HydrophobicContact CG1-CG2 4.17Å; I355-V364 HydrophobicContact CG2-CG2 4.25Å; T362-V364 HydrophobicContact CG2-CG2 3.85Å |
| 365 | D | 68 | Low | 61.1 | Low | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.7 | 164.2 | -156.5 | -25.1 | 0 | 0 | 0 | 110 | W304 L317 S319 K353 V354 V367 | W304-D365 HydrophobicContact CZ2-CB 3.86Å; W304-D365 PolarHBondContact NE1-OD2 2.82Å; L317-D365 HydrophobicContact CD2-CB 4.26Å; S319-D365 PolarHBondContact OG-OD2 2.84Å; K353-D365 CarbonylContact C-O 3.57Å; K353-D365 WeakPolarHBondContact CA-O 3.27Å; V354-D365 PolarHBondContact N-O 3.14Å; V354-D365 PolarHBondContact O-N 3.09Å; D365-V367 WeakPolarHBondContact OD1-CG2 2.99Å; D365-V367 PolarHBondContact OD1-N 2.89Å |
| 366 | N | 63 | Low | 60.1 | Low | 87 Ų | 87 | 49.1 Ų | 49.1 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | trans | -108.8 | 4.1 | 179.1 | -66 | -91.8 | 0 | 0 | 0 | 112.3 | K353 | K353-N366 VanDerWaalsContact CD-OD1 3.27Å; K353-N366 WeakPolarHBondContact CD-OD1 3.41Å; K353-N366 WeakPolarHBondContact CE-OD1 3.5Å; K353-N366 PolarHBondContact NZ-OD1 3Å | ||
| 367 | V | 53.8 | Low | 59.4 | Low | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | trans | -107.1 | -2.8 | -166.6 | -154.4 | 0 | 0 | 0 | 0 | 113.5 | I321 D365 Q369 | I321-V367 HydrophobicContact CD1-CB 3.94Å; I321-V367 HydrophobicContact CD1-CG1 3.42Å; I321-V367 VanDerWaalsContact CD1-CG1 3.42Å; I321-V367 HydrophobicContact CG1-CG1 3.98Å; I321-V367 WeakPolarHBondContact CG1-O 3.44Å; D365-V367 WeakPolarHBondContact OD1-CG2 2.99Å; D365-V367 PolarHBondContact OD1-N 2.89Å; V367-Q369 PolarHBondContact O-N 3.4Å | ||
| 368 | A | 50.6 | Low | 58.8 | Low | 21 Ų | 21 | 48.5 Ų | 48.5 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -63 | 124.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G352 V354 R370 | G352-A368 CarbonylContact C-O 3.55Å; G352-A368 WeakPolarHBondContact CA-O 3.34Å; G352-A368 PolarHBondContact O-N 3.08Å; V354-A368 HydrophobicContact CG2-CB 4.15Å; A368-R370 PolarHBondContact O-N 2.83Å |
| 369 | Q | 48.5 | Very low | 58.3 | Low | 63 Ų | 63 | 48.2 Ų | 48.2 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -63.2 | 130.9 | -172.3 | -69.1 | -171.4 | -22.5 | 0 | 0 | 111.9 | I321 D322 V367 D371 Y372 | I321-Q369 HydrophobicContact CG2-CG 4.32Å; D322-Q369 PolarHBondContact OD1-NE2 3.22Å; V367-Q369 PolarHBondContact O-N 3.4Å; Q369-D371 PolarHBondContact O-N 3.28Å; Q369-Y372 HydrophobicContact CB-CD2 3.92Å; Q369-Y372 HydrophobicContact CB-CE2 4.13Å; Q369-Y372 PolarHBondContact O-N 3.01Å | ||
| 370 | R | 44.4 | Very low | 57.6 | Low | 146 Ų | 146 | 48.6 Ų | 48.6 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -10.6 | -170.9 | -98.3 | 176.5 | 160 | -177 | -9 | 116.6 | K275 D351 A368 | K275-R370 VanDerWaalsContact CE-O 3.24Å; K275-R370 WeakPolarHBondContact CE-O 3.48Å; D351-R370 WeakPolarHBondContact O-CG 3.46Å; D351-R370 PolarHBondContact O-NE 2.9Å; D351-R370 IonicContact OD1-NH2 3.5Å; D351-R370 IonicContact OD2-CZ 2.7Å; D351-R370 IonicContact OD2-NE 3.75Å; D351-R370 IonicContact OD2-NH2 3.3Å; D351-R370 PolarHBondContact OD2-NH2 3.16Å; A368-R370 PolarHBondContact O-N 2.83Å |
| 371 | D | 47.5 | Very low | 57.3 | Low | 115 Ų | 115 | 42.3 Ų | 42.3 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 2.1 | -166.6 | -59.6 | -51.4 | 0 | 0 | 0 | 114.5 | Q369 P373 | Q369-D371 PolarHBondContact O-N 3.28Å; D371-P373 VanDerWaalsContact O-CD 3.25Å; D371-P373 WeakPolarHBondContact O-CD 2.95Å |
| 372 | Y | 48.8 | Very low | 56.8 | Low | 82 Ų | 82 | 45.1 Ų | 45.1 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | trans | -88.9 | 107.4 | 172.9 | -76.4 | -59.6 | 0 | 0 | 0 | 112 | S298 V303 Q369 V374 | S298-Y372 WeakPolarHBondContact OG-CD1 3.47Å; V303-Y372 HydrophobicContact CG1-CD1 4.45Å; V303-Y372 HydrophobicContact CG1-CD2 4.12Å; V303-Y372 HydrophobicContact CG1-CG 4.02Å; Q369-Y372 HydrophobicContact CB-CD2 3.92Å; Q369-Y372 HydrophobicContact CB-CE2 4.13Å; Q369-Y372 PolarHBondContact O-N 3.01Å; Y372-V374 PolarHBondContact O-N 2.92Å | ||
| 373 | P | 50 | Low | 55.9 | Low | 28 Ų | 28 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | trans | -74.8 | 119.8 | 177.4 | 31.1 | -33.5 | 0 | 0 | 0 | 110.2 | S298 D371 T375 | S298-P373 VanDerWaalsContact CB-O 3.29Å; S298-P373 WeakPolarHBondContact CB-O 3.47Å; S298-P373 PolarHBondContact OG-O 2.98Å; D371-P373 VanDerWaalsContact O-CD 3.25Å; D371-P373 WeakPolarHBondContact O-CD 2.95Å; P373-T375 PolarHBondContact O-N 2.71Å | ||
| 374 | V | 51.9 | Low | 55.2 | Low | 32 Ų | 32 | 45.3 Ų | 45.3 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | trans | -62.5 | 118.6 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | I210 V296 Y297 I349 Y372 V377 | I210-V374 HydrophobicContact CD1-CG1 4.02Å; V296-V374 HydrophobicContact CG1-CB 4.24Å; V296-V374 HydrophobicContact CG1-CG1 3.55Å; V296-V374 HydrophobicContact CG1-CG2 3.63Å; Y297-V374 CarbonylContact O-C 3.58Å; Y297-V374 WeakPolarHBondContact O-CA 3.38Å; I349-V374 HydrophobicContact CD1-CG1 4.44Å; I349-V374 HydrophobicContact CD1-CG2 3.77Å; Y372-V374 PolarHBondContact O-N 2.92Å; V374-V377 HydrophobicContact CG1-CG2 4.34Å | ||
| 375 | T | 45.8 | Very low | 54 | Low | 28 Ų | 28 | 42.7 Ų | 42.7 | 17% | 0.172 | 22% | 0.221 | C | C | . | . | trans | -96.6 | -27.5 | 179.4 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | T211 K212 Y297 N299 P373 | T211-T375 PolarHBondContact N-O 2.7Å; T211-T375 PolarHBondContact OG1-O 2.8Å; K212-T375 PolarHBondContact N-O 3.23Å; Y297-T375 PolarHBondContact O-N 2.81Å; Y297-T375 PolarHBondContact O-OG1 3.44Å; N299-T375 VanDerWaalsContact N-CG2 3.3Å; N299-T375 PolarHBondContact N-OG1 3.08Å; P373-T375 PolarHBondContact O-N 2.71Å | ||
| 376 | S | 50.7 | Low | 53.3 | Low | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 149.4 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | K212 Y297 | K212-S376 WeakPolarHBondContact O-CA 3.34Å; K212-S376 WeakPolarHBondContact O-CB 3.34Å; Y297-S376 WeakPolarHBondContact CB-OG 3.27Å; Y297-S376 PolarHBondContact N-O 3.09Å; Y297-S376 PolarHBondContact O-N 3.33Å |
| 377 | V | 57.1 | Low | 52.7 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.8 | 166.5 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | S214 L277 I294 D295 V296 I347 V374 V379 | S214-V377 PolarHBondContact N-O 2.98Å; L277-V377 HydrophobicContact CD2-CG2 4.05Å; I294-V377 HydrophobicContact CG2-CG1 4.35Å; D295-V377 WeakPolarHBondContact O-CA 3.33Å; V296-V377 HydrophobicContact CG2-CG2 4.39Å; I347-V377 HydrophobicContact CD1-CG1 4.05Å; V374-V377 HydrophobicContact CG1-CG2 4.34Å; V377-V379 HydrophobicContact CG1-CG2 4.27Å |
| 378 | N | 59.1 | Low | 52.3 | Low | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.5 | 177.9 | -171.2 | 40.2 | 0 | 0 | 0 | 109.1 | S214 D295 Y297 | S214-N378 WeakPolarHBondContact CB-OD1 3.47Å; S214-N378 CarbonylContact O-C 3.55Å; S214-N378 VanDerWaalsContact O-CA 3.31Å; S214-N378 WeakPolarHBondContact O-CA 3.49Å; S214-N378 PolarHBondContact OG-OD1 2.84Å; D295-N378 HydrophobicContact CB-CB 4.24Å; D295-N378 PolarHBondContact N-O 2.81Å; D295-N378 PolarHBondContact O-N 2.97Å; Y297-N378 HydrophobicContact CD2-CB 4.34Å; Y297-N378 HydrophobicContact CE2-CB 3.64Å |
| 379 | V | 59.7 | Low | 52.2 | Low | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.1 | 179.9 | -168.5 | 0 | 0 | 0 | 0 | 108.1 | S214 I215 R216 F279 M281 L293 I294 V377 F383 | S214-V379 PolarHBondContact O-N 3.26Å; I215-V379 CarbonylContact C-O 3.6Å; I215-V379 WeakPolarHBondContact CA-O 3.41Å; I215-V379 HydrophobicContact CG2-CB 4.41Å; R216-V379 PolarHBondContact N-O 3.15Å; F279-V379 HydrophobicContact CE1-CG2 4.18Å; M281-V379 HydrophobicContact CE-CB 4.36Å; M281-V379 HydrophobicContact CE-CG1 3.65Å; M281-V379 HydrophobicContact CE-CG2 3.82Å; M281-V379 HydrophobicContact SD-CG1 4.06Å; M281-V379 HydrophobicContact SD-CG2 4.16Å; L293-V379 WeakPolarHBondContact O-CA 3.46Å; I294-V379 HydrophobicContact CG1-CG1 4.43Å; V377-V379 HydrophobicContact CG1-CG2 4.27Å; V379-F383 HydrophobicContact CB-CZ 4.36Å; V379-F383 HydrophobicContact CG1-CE1 3.86Å; V379-F383 HydrophobicContact CG1-CZ 3.51Å |
| 380 | V | 58 | Low | 51.8 | Low | 43 Ų | 43 | 40.4 Ų | 40.4 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.3 | -175.2 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | R216 L293 | R216-V380 HydrophobicContact CB-CG1 4.23Å; R216-V380 HydrophobicContact CB-CG2 4.26Å; R216-V380 WeakPolarHBondContact O-CA 3.2Å; L293-V380 HydrophobicContact CB-CB 4.36Å; L293-V380 PolarHBondContact N-O 3.12Å; L293-V380 PolarHBondContact O-N 3.2Å |
| 381 | G | 58.5 | Low | 51.7 | Low | 14 Ų | 14 | 36.1 Ų | 36.1 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | 179.9 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | R216 F383 | R216-G381 PolarHBondContact O-N 2.95Å; R216-G381 VanDerWaalsContact O-N 3.14Å; G381-F383 VanDerWaalsContact C-N 3.28Å; G381-F383 PolarHBondContact O-N 2.91Å |
| 382 | D | 60.5 | Low | 51.3 | Low | 62 Ų | 62 | 33.9 Ų | 33.9 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -80.6 | 65.7 | -175.1 | -60.1 | -38.2 | 0 | 0 | 0 | 111.8 | L286 A289 K290 V291 | L286-D382 HydrophobicContact CB-CB 4.32Å; L286-D382 WeakPolarHBondContact CB-O 3.45Å; L286-D382 HydrophobicContact CD1-CB 4.04Å; L286-D382 PolarHBondContact N-O 2.79Å; A289-D382 HydrophobicContact CB-CB 3.52Å; A289-D382 WeakPolarHBondContact CB-O 3.41Å; K290-D382 PolarHBondContact N-OD2 3.08Å; V291-D382 PolarHBondContact O-N 3.45Å |
| 383 | F | 57.3 | Low | 50.7 | Low | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 152.9 | -179.7 | 59.3 | -95.5 | 0 | 0 | 0 | 114 | I215 L218 V283 S284 T292 V379 G381 L385 | I215-F383 HydrophobicContact CG2-CE2 4.05Å; I215-F383 HydrophobicContact CG2-CZ 4.14Å; L218-F383 PolarHBondContact N-O 2.83Å; V283-F383 HydrophobicContact CB-CB 4.24Å; V283-F383 HydrophobicContact CB-CD2 3.94Å; V283-F383 HydrophobicContact CB-CG 4.18Å; V283-F383 HydrophobicContact CG1-CD2 3.49Å; V283-F383 VanDerWaalsContact CG1-CD2 3.49Å; V283-F383 HydrophobicContact CG1-CE2 3.78Å; V283-F383 HydrophobicContact CG1-CG 4.13Å; S284-F383 CarbonylContact O-C 3.55Å; S284-F383 WeakPolarHBondContact O-CA 3.43Å; T292-F383 HydrophobicContact CG2-CD1 4.23Å; T292-F383 HydrophobicContact CG2-CE1 4.08Å; V379-F383 HydrophobicContact CB-CZ 4.36Å; V379-F383 HydrophobicContact CG1-CE1 3.86Å; V379-F383 HydrophobicContact CG1-CZ 3.51Å; G381-F383 VanDerWaalsContact C-N 3.28Å; G381-F383 PolarHBondContact O-N 2.91Å; F383-L385 HydrophobicContact CE2-CB 4.48Å |
| 384 | F | 55 | Low | 49.7 | Very low | 73 Ų | 73 | 36.9 Ų | 36.9 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.5 | 160.1 | -61.8 | -77.3 | 0 | 0 | 0 | 109.6 | L218 V283 S284 L286 | L218-F384 WeakPolarHBondContact O-CA 3.27Å; L218-F384 WeakPolarHBondContact O-CD1 2.98Å; V283-F384 CarbonylContact C-O 2.66Å; V283-F384 VanDerWaalsContact CA-O 3.24Å; V283-F384 WeakPolarHBondContact CA-O 3.39Å; S284-F384 PolarHBondContact N-O 3.3Å; S284-F384 PolarHBondContact O-N 2.86Å; L286-F384 HydrophobicContact CD2-CD1 4.44Å; L286-F384 HydrophobicContact CD2-CD2 3.89Å; L286-F384 HydrophobicContact CD2-CE1 4.05Å; L286-F384 HydrophobicContact CD2-CE2 3.48Å; L286-F384 VanDerWaalsContact CD2-CE2 3.48Å; L286-F384 HydrophobicContact CD2-CG 4.35Å; L286-F384 HydrophobicContact CD2-CZ 3.55Å |
| 385 | L | 46.8 | Very low | 48.5 | Very low | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.8 | 171.2 | -176.1 | 78.5 | 0 | 0 | 0 | 109.7 | I215 A220 L221 M281 V283 F383 G387 A388 | I215-L385 HydrophobicContact CD1-CD1 4.42Å; I215-L385 HydrophobicContact CD1-CD2 3.8Å; I215-L385 HydrophobicContact CG2-CD2 4.26Å; A220-L385 VanDerWaalsContact O-O 3.04Å; L221-L385 HydrophobicContact CD1-CD2 4.24Å; M281-L385 HydrophobicContact CB-CD1 3.94Å; M281-L385 HydrophobicContact SD-CD1 4.3Å; V283-L385 HydrophobicContact CG1-CD1 3.81Å; F383-L385 HydrophobicContact CE2-CB 4.48Å; L385-G387 WeakPolarHBondContact CD1-O 3.37Å; L385-A388 HydrophobicContact CD1-CB 4.35Å; L385-A388 HydrophobicContact CD2-CB 4.26Å |
| 386 | H | 52.4 | Low | 47.6 | Very low | 34 Ų | 34 | 41.4 Ų | 41.4 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -31.9 | 177.7 | -63 | -91.9 | 0 | 0 | 0 | 112.6 | Y222 S223 Q282 S284 L342 | Y222-H386 HydrophobicContact CD2-CB 4.43Å; Y222-H386 AromaticContact CD2-ND1 3.51Å; Y222-H386 AromaticContact CE2-ND1 3.6Å; S223-H386 PolarHBondContact N-O 2.88Å; S223-H386 PolarHBondContact OG-O 2.91Å; Q282-H386 HydrophobicContact CB-CB 4.06Å; Q282-H386 PolarHBondContact O-N 3.45Å; S284-H386 PolarHBondContact OG-NE2 3.18Å; L342-H386 HydrophobicContact CD2-CB 4.11Å |
| 387 | G | 49.9 | Very low | 46.3 | Very low | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 154.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S223 M281 Q282 L385 | S223-G387 WeakPolarHBondContact O-CA 3.49Å; M281-G387 CarbonylContact C-O 3.48Å; M281-G387 VanDerWaalsContact CA-O 3.24Å; M281-G387 WeakPolarHBondContact CA-O 3.46Å; M281-G387 WeakPolarHBondContact CB-O 3.4Å; Q282-G387 PolarHBondContact N-O 3.49Å; Q282-G387 PolarHBondContact O-N 3.11Å; L385-G387 WeakPolarHBondContact CD1-O 3.37Å |
| 388 | A | 45.2 | Very low | 44.6 | Very low | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 144.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I215 M224 N225 F279 S280 M281 L385 | I215-A388 HydrophobicContact CD1-CB 4.09Å; M224-A388 HydrophobicContact CE-CB 4.32Å; M224-A388 HydrophobicContact CG-CB 4.33Å; N225-A388 PolarHBondContact N-O 2.88Å; N225-A388 VanDerWaalsContact N-O 3.09Å; F279-A388 HydrophobicContact CZ-CB 4.44Å; S280-A388 CarbonylContact O-C 3.56Å; S280-A388 WeakPolarHBondContact O-CA 3.29Å; M281-A388 HydrophobicContact CB-CB 4.19Å; L385-A388 HydrophobicContact CD1-CB 4.35Å; L385-A388 HydrophobicContact CD2-CB 4.26Å |
| 389 | E | 48.6 | Very low | 43 | Very low | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.4 | -179 | -175.8 | 179.4 | -162.2 | 0 | 0 | 109.5 | F279 S280 V391 | F279-E389 WeakPolarHBondContact CD2-O 3.27Å; S280-E389 PolarHBondContact N-O 2.88Å; S280-E389 PolarHBondContact O-N 2.84Å; S280-E389 VanDerWaalsContact O-O 3.06Å; E389-V391 HydrophobicContact CG-CG2 4Å |
| 390 | A | 40.5 | Very low | 41.4 | Very low | 32 Ų | 32 | 60.5 Ų | 60.5 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 120 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F279 | F279-A390 HydrophobicContact CD2-CB 3.96Å |
| 391 | V | 41.5 | Very low | 39.9 | Very low | 56 Ų | 56 | 62.7 Ų | 62.7 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.3 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | L278 E389 L393 | L278-V391 CarbonylContact C-O 3.59Å; L278-V391 WeakPolarHBondContact CA-O 3.44Å; L278-V391 HydrophobicContact CB-CB 4.32Å; L278-V391 WeakPolarHBondContact CB-O 3.47Å; L278-V391 PolarHBondContact N-O 3.33Å; L278-V391 PolarHBondContact O-N 3.07Å; E389-V391 HydrophobicContact CG-CG2 4Å; V391-L393 PolarHBondContact O-N 2.94Å; V391-L393 VanDerWaalsContact O-N 3.16Å |
| 392 | V | 40.7 | Very low | 38.4 | Very low | 68 Ų | 68 | 72.5 Ų | 72.5 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | trans | -69 | 115.5 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | P209 K394 | P209-V392 HydrophobicContact CB-CG2 4.4Å; V392-K394 PolarHBondContact O-N 3.35Å; V392-K394 VanDerWaalsContact O-N 3.1Å | ||
| 393 | L | 34.9 | Very low | 36.9 | Very low | 43 Ų | 43 | 73.5 Ų | 73.5 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | trans | -66.4 | 117.5 | 177.5 | -74 | 177.4 | 0 | 0 | 0 | 108.8 | S276 L278 K348 V391 | S276-L393 VanDerWaalsContact CB-O 3.31Å; S276-L393 WeakPolarHBondContact CB-O 3.43Å; L278-L393 HydrophobicContact CB-CD1 4.03Å; L278-L393 HydrophobicContact CB-CD2 3.86Å; L278-L393 HydrophobicContact CB-CG 3.67Å; L278-L393 HydrophobicContact CD2-CD2 4.32Å; K348-L393 HydrophobicContact CB-CD1 4.42Å; K348-L393 HydrophobicContact CD-CD1 3.5Å; K348-L393 VanDerWaalsContact CD-CD1 3.5Å; K348-L393 VanDerWaalsContact CE-CD1 3.42Å; K348-L393 HydrophobicContact CG-CD1 3.6Å; V391-L393 PolarHBondContact O-N 2.94Å; V391-L393 VanDerWaalsContact O-N 3.16Å | ||
| 394 | K | 30.5 | Very low | 35.5 | Very low | 131 Ų | 131 | 76.4 Ų | 76.4 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | trans | -104.8 | 141.1 | 178.3 | -171.3 | -168.2 | 176.1 | -158.3 | 0 | 107.5 | V392 D396 | V392-K394 PolarHBondContact O-N 3.35Å; V392-K394 VanDerWaalsContact O-N 3.1Å; K394-D396 VanDerWaalsContact CE-CG 3.44Å; K394-D396 WeakPolarHBondContact CE-OD1 3.49Å; K394-D396 VanDerWaalsContact CE-OD2 3.26Å; K394-D396 WeakPolarHBondContact CE-OD2 3.39Å; K394-D396 IonicContact NZ-OD1 2.66Å; K394-D396 PolarHBondContact NZ-OD1 3.38Å; K394-D396 IonicContact NZ-OD2 2.61Å; K394-D396 PolarHBondContact NZ-OD2 3.48Å | ||
| 395 | E | 24.9 | Very low | 34.2 | Very low | 84 Ų | 84 | 75.6 Ų | 75.6 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.6 | 161.8 | -98 | -146.4 | 176 | 0 | 0 | 107.7 | L203 P204 V205 | L203-E395 VanDerWaalsContact C-CD 3.46Å; L203-E395 VanDerWaalsContact C-OE2 3.25Å; L203-E395 CarbonylContact O-C 3.5Å; L203-E395 WeakPolarHBondContact O-CA 3.22Å; L203-E395 WeakPolarHBondContact O-CB 3.31Å; L203-E395 WeakPolarHBondContact O-CG 3.16Å; P204-E395 VanDerWaalsContact C-C 3.48Å; P204-E395 CarbonylContact C-O 3.57Å; P204-E395 VanDerWaalsContact C-O 3.26Å; P204-E395 WeakPolarHBondContact CA-O 3.46Å; P204-E395 VanDerWaalsContact CD-OE2 3.29Å; P204-E395 WeakPolarHBondContact CD-OE2 3.47Å; V205-E395 PolarHBondContact N-O 3.46Å |
| 396 | D | 28.1 | Very low | 33.2 | Very low | 71 Ų | 71 | 83.2 Ų | 83.2 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138 | 171.9 | -92.7 | -46.6 | 0 | 0 | 0 | 115.4 | L203 P204 K394 | L203-D396 CarbonylContact C-O 3.56Å; L203-D396 WeakPolarHBondContact CA-O 3.47Å; L203-D396 PolarHBondContact N-O 3.17Å; L203-D396 CarbonylContact O-C 3.48Å; L203-D396 PolarHBondContact O-N 3.23Å; L203-D396 VanDerWaalsContact O-O 3.13Å; P204-D396 VanDerWaalsContact CA-C 3.48Å; K394-D396 VanDerWaalsContact CE-CG 3.44Å; K394-D396 WeakPolarHBondContact CE-OD1 3.49Å; K394-D396 VanDerWaalsContact CE-OD2 3.26Å; K394-D396 WeakPolarHBondContact CE-OD2 3.39Å; K394-D396 IonicContact NZ-OD1 2.66Å; K394-D396 PolarHBondContact NZ-OD1 3.38Å; K394-D396 IonicContact NZ-OD2 2.61Å; K394-D396 PolarHBondContact NZ-OD2 3.48Å |
| 397 | P | 23 | Very low | 32 | Very low | 73 Ų | 73 | 86 Ų | 86 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | trans | -84.1 | 167.2 | 156.1 | 33.6 | -25.2 | 0 | 0 | 0 | 110.8 | P204 M399 | P204-P397 HydrophobicContact CB-CB 3.83Å; P204-P397 VanDerWaalsContact CB-CD 3.44Å; P204-P397 HydrophobicContact CB-CG 3.8Å; P397-M399 PolarHBondContact O-N 2.6Å | ||
| 398 | I | 21.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 91.6 Ų | 91.6 | 80% | 0.8 | 46% | 0.456 | S | S | * | . | trans | -66.8 | 122.9 | -172.4 | -56.8 | 167 | 0 | 0 | 0 | 112 | ||||
| 399 | M | 26.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 92.9 Ų | 92.9 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | trans | -133.1 | 170.6 | 163.4 | -78.5 | -166.7 | -59.9 | 0 | 0 | 110.8 | P397 | P397-M399 PolarHBondContact O-N 2.6Š| ||
| 400 | T | 26.2 | Very low | 29 | Very low | 94 Ų | 94 | 93.5 Ų | 93.5 | 58% | 0.577 | 47% | 0.466 | S | S | * | . | trans | -132 | 169.7 | -167.1 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | R402 E403 | T400-R402 PolarHBondContact O-N 2.85Å; T400-E403 PolarHBondContact O-N 3.39Å | ||
| 401 | E | 27.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 97 Ų | 97 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -39.5 | -37 | 177.7 | -82.9 | -76.1 | 89.9 | 0 | 0 | 115.4 | D187 E403 K404 A405 | D187-E401 WeakPolarHBondContact CA-OE1 3.26Å; D187-E401 HydrophobicContact CB-CG 4.17Å; D187-E401 VanDerWaalsContact CB-OE1 3.25Å; D187-E401 WeakPolarHBondContact CB-OE1 3.37Å; E401-E403 PolarHBondContact O-N 2.87Å; E401-K404 WeakPolarHBondContact O-CB 3.24Å; E401-K404 PolarHBondContact O-N 3.28Å; E401-K404 VanDerWaalsContact O-N 3.14Å; E401-K404 WeakPolarHBondContact OE1-CD 3.17Å; E401-K404 WeakPolarHBondContact OE1-CE 3.5Å; E401-K404 IonicContact OE1-NZ 3.85Å; E401-K404 PolarHBondContact OE1-NZ 3.14Å; E401-K404 IonicContact OE2-NZ 3.77Å; E401-K404 PolarHBondContact OE2-NZ 3.19Å; E401-A405 PolarHBondContact O-N 2.65Å; E401-A405 VanDerWaalsContact O-N 3.15Å |
| 402 | R | 26.9 | Very low | 27.3 | Very low | 220 Ų | 220 | 104.7 Ų | 104.7 | 83% | 0.83 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -20.4 | -177.2 | -139.3 | 173.6 | -167.6 | 174.6 | 3.8 | 112.9 | T400 R406 | T400-R402 PolarHBondContact O-N 2.85Å; R402-R406 PolarHBondContact O-N 2.86Å |
| 403 | E | 28.5 | Very low | 26.5 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -97.1 | -17.4 | 175.7 | -70.9 | 155.5 | 133.6 | 0 | 0 | 112.8 | T400 E401 R406 I407 | T400-E403 PolarHBondContact O-N 3.39Å; E401-E403 PolarHBondContact O-N 2.87Å; E403-R406 CarbonylContact O-C 3.52Å; E403-R406 PolarHBondContact O-N 2.87Å; E403-I407 WeakPolarHBondContact O-CB 3.34Å; E403-I407 VanDerWaalsContact O-CG1 3.27Å; E403-I407 WeakPolarHBondContact O-CG1 3.32Å; E403-I407 PolarHBondContact O-N 2.88Å |
| 404 | K | 28.1 | Very low | 25.9 | Very low | 65 Ų | 65 | 112.9 Ų | 112.9 | 28% | 0.283 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 162.8 | 172.6 | -160.9 | 176.8 | -158.8 | 0 | 109.7 | D187 E401 R406 I407 E408 | D187-K404 IonicContact OD1-NZ 2.62Å; D187-K404 PolarHBondContact OD1-NZ 2.87Å; E401-K404 WeakPolarHBondContact O-CB 3.24Å; E401-K404 PolarHBondContact O-N 3.28Å; E401-K404 VanDerWaalsContact O-N 3.14Å; E401-K404 WeakPolarHBondContact OE1-CD 3.17Å; E401-K404 WeakPolarHBondContact OE1-CE 3.5Å; E401-K404 IonicContact OE1-NZ 3.85Å; E401-K404 PolarHBondContact OE1-NZ 3.14Å; E401-K404 IonicContact OE2-NZ 3.77Å; E401-K404 PolarHBondContact OE2-NZ 3.19Å; K404-R406 VanDerWaalsContact C-N 3.26Å; K404-R406 PolarHBondContact O-N 3.31Å; K404-I407 PolarHBondContact O-N 2.84Å; K404-I407 VanDerWaalsContact O-N 3.1Å; K404-E408 PolarHBondContact O-N 2.88Å |
| 405 | A | 28.1 | Very low | 25.5 | Very low | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E401 E408 S409 | E401-A405 PolarHBondContact O-N 2.65Å; E401-A405 VanDerWaalsContact O-N 3.15Å; A405-E408 PolarHBondContact O-N 2.79Å; A405-S409 PolarHBondContact O-N 2.95Å |
| 406 | R | 25.8 | Very low | 25.5 | Very low | 168 Ų | 168 | 109.5 Ų | 109.5 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78.8 | -19.4 | 175.8 | -137.4 | 173.9 | -167.5 | 169.6 | 4.9 | 114 | R402 E403 K404 S409 F410 | R402-R406 PolarHBondContact O-N 2.86Å; E403-R406 CarbonylContact O-C 3.52Å; E403-R406 PolarHBondContact O-N 2.87Å; K404-R406 VanDerWaalsContact C-N 3.26Å; K404-R406 PolarHBondContact O-N 3.31Å; R406-S409 PolarHBondContact O-OG 3.33Å; R406-S409 VanDerWaalsContact O-OG 3.12Å; R406-F410 VanDerWaalsContact O-CB 3.3Å; R406-F410 WeakPolarHBondContact O-CB 3.31Å; R406-F410 PolarHBondContact O-N 3.31Å |
| 407 | I | 25.8 | Very low | 25.4 | Very low | 93 Ų | 93 | 107 Ų | 107 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -78.2 | -33.7 | 167.2 | -74.5 | 166.3 | 0 | 0 | 0 | 110.3 | E403 K404 S409 F410 I411 | E403-I407 WeakPolarHBondContact O-CB 3.34Å; E403-I407 VanDerWaalsContact O-CG1 3.27Å; E403-I407 WeakPolarHBondContact O-CG1 3.32Å; E403-I407 PolarHBondContact O-N 2.88Å; K404-I407 PolarHBondContact O-N 2.84Å; K404-I407 VanDerWaalsContact O-N 3.1Å; I407-S409 VanDerWaalsContact C-N 3.29Å; I407-S409 PolarHBondContact O-N 2.87Å; I407-F410 PolarHBondContact O-N 2.7Å; I407-I411 HydrophobicContact CG2-CD1 4.04Å; I407-I411 HydrophobicContact CG2-CG1 4.46Å; I407-I411 WeakPolarHBondContact O-CB 3.17Å; I407-I411 VanDerWaalsContact O-CG1 3.28Å; I407-I411 WeakPolarHBondContact O-CG1 3.16Å; I407-I411 PolarHBondContact O-N 3.31Å |
| 408 | E | 26 | Very low | 25.4 | Very low | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -34.2 | 168.2 | -70.3 | 172.4 | -178.4 | 0 | 0 | 111.7 | K404 A405 | K404-E408 PolarHBondContact O-N 2.88Å; A405-E408 PolarHBondContact O-N 2.79Å |
| 409 | S | 29.8 | Very low | 25.6 | Very low | 35 Ų | 35 | 109 Ų | 109 | 25% | 0.245 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 166.7 | 96.8 | 0 | 0 | 0 | 0 | 112.3 | A405 R406 I407 I411 R412 E413 | A405-S409 PolarHBondContact O-N 2.95Å; R406-S409 PolarHBondContact O-OG 3.33Å; R406-S409 VanDerWaalsContact O-OG 3.12Å; I407-S409 VanDerWaalsContact C-N 3.29Å; I407-S409 PolarHBondContact O-N 2.87Å; S409-I411 VanDerWaalsContact C-N 3.28Å; S409-I411 PolarHBondContact O-N 2.9Å; S409-R412 CarbonylContact O-C 3.58Å; S409-R412 WeakPolarHBondContact O-CA 3.33Å; S409-R412 WeakPolarHBondContact O-CB 3.47Å; S409-R412 PolarHBondContact O-N 2.85Å; S409-E413 VanDerWaalsContact CB-OE1 3.26Å; S409-E413 WeakPolarHBondContact CB-OE1 3.14Å; S409-E413 WeakPolarHBondContact O-CG 3.39Å; S409-E413 PolarHBondContact O-N 3.04Å; S409-E413 PolarHBondContact OG-OE1 3.33Å |
| 410 | F | 24.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 108.8 Ų | 108.8 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -31.3 | 179.1 | -153.9 | -110.8 | 0 | 0 | 0 | 113.5 | R406 I407 R412 E413 R414 | R406-F410 VanDerWaalsContact O-CB 3.3Å; R406-F410 WeakPolarHBondContact O-CB 3.31Å; R406-F410 PolarHBondContact O-N 3.31Å; I407-F410 PolarHBondContact O-N 2.7Å; F410-R412 VanDerWaalsContact C-N 3.31Å; F410-E413 PolarHBondContact O-N 2.88Å; F410-R414 HydrophobicContact CD1-CG 4.37Å; F410-R414 HydrophobicContact CE1-CG 4.08Å; F410-R414 HydrophobicContact CZ-CG 4.29Å; F410-R414 PolarHBondContact O-N 3.08Å |
| 411 | I | 23.1 | Very low | 25.7 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 54% | 0.544 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -27.9 | 172.2 | -71.8 | 167.4 | 0 | 0 | 0 | 111.4 | I407 S409 | I407-I411 HydrophobicContact CG2-CD1 4.04Å; I407-I411 HydrophobicContact CG2-CG1 4.46Å; I407-I411 WeakPolarHBondContact O-CB 3.17Å; I407-I411 VanDerWaalsContact O-CG1 3.28Å; I407-I411 WeakPolarHBondContact O-CG1 3.16Å; I407-I411 PolarHBondContact O-N 3.31Å; S409-I411 VanDerWaalsContact C-N 3.28Å; S409-I411 PolarHBondContact O-N 2.9Å |
| 412 | R | 23.7 | Very low | 25.7 | Very low | 217 Ų | 217 | 105.8 Ų | 105.8 | 82% | 0.819 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -78 | -42.4 | 167.6 | -65.9 | -172.6 | 177.2 | -145.2 | 2.3 | 112 | S409 F410 N415 | S409-R412 CarbonylContact O-C 3.58Å; S409-R412 WeakPolarHBondContact O-CA 3.33Å; S409-R412 WeakPolarHBondContact O-CB 3.47Å; S409-R412 PolarHBondContact O-N 2.85Å; F410-R412 VanDerWaalsContact C-N 3.31Å; R412-N415 PolarHBondContact O-N 2.94Å |
| 413 | E | 24.6 | Very low | 25.8 | Very low | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72 | -28.5 | -174.7 | -70.5 | 163.1 | -136.4 | 0 | 0 | 113.5 | S409 F410 N415 P416 | S409-E413 VanDerWaalsContact CB-OE1 3.26Å; S409-E413 WeakPolarHBondContact CB-OE1 3.14Å; S409-E413 WeakPolarHBondContact O-CG 3.39Å; S409-E413 PolarHBondContact O-N 3.04Å; S409-E413 PolarHBondContact OG-OE1 3.33Å; F410-E413 PolarHBondContact O-N 2.88Å; E413-N415 CarbonylContact O-C 3.57Å; E413-N415 PolarHBondContact O-N 3.12Å; E413-P416 WeakPolarHBondContact O-CA 3.3Å |
| 414 | R | 22.5 | Very low | 26 | Very low | 170 Ų | 170 | 101.1 Ų | 101.1 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 29.4 | 172.2 | -76.5 | -159.9 | 169 | -161.7 | -2.6 | 115.2 | F410 | F410-R414 HydrophobicContact CD1-CG 4.37Å; F410-R414 HydrophobicContact CE1-CG 4.08Å; F410-R414 HydrophobicContact CZ-CG 4.29Å; F410-R414 PolarHBondContact O-N 3.08Å |
| 415 | N | 21.1 | Very low | 26.3 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -107.2 | 79.7 | 140.1 | -143.9 | 4.9 | 0 | 0 | 0 | 107.2 | R412 E413 F417 | R412-N415 PolarHBondContact O-N 2.94Å; E413-N415 CarbonylContact O-C 3.57Å; E413-N415 PolarHBondContact O-N 3.12Å; N415-F417 VanDerWaalsContact C-N 3.28Å; N415-F417 PolarHBondContact O-N 3.08Å |
| 416 | P | 24.3 | Very low | 26.9 | Very low | 73 Ų | 73 | 104.8 Ų | 104.8 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | trans | -82.4 | 61.4 | -149 | 35.3 | -39.4 | 0 | 0 | 0 | 113.8 | E413 | E413-P416 WeakPolarHBondContact O-CA 3.3Š| ||
| 417 | F | 26.8 | Very low | 28 | Very low | 17 Ų | 17 | 100.4 Ų | 100.4 | 8% | 0.075 | 54% | 0.539 | C | S | . | . | trans | -132.8 | 80.9 | 173.2 | -73 | -74.1 | 0 | 0 | 0 | 110.6 | N415 L434 K437 V556 | N415-F417 VanDerWaalsContact C-N 3.28Å; N415-F417 PolarHBondContact O-N 3.08Å; F417-L434 HydrophobicContact CE1-CG 4.34Å; F417-L434 HydrophobicContact CE2-CD2 4.39Å; F417-L434 HydrophobicContact CE2-CG 4.31Å; F417-L434 HydrophobicContact CZ-CB 4.36Å; F417-L434 HydrophobicContact CZ-CD2 3.82Å; F417-L434 HydrophobicContact CZ-CG 3.64Å; F417-K437 WeakPolarHBondContact O-CE 3.46Å; F417-K437 PolarHBondContact O-NZ 2.7Å; F417-V556 HydrophobicContact CD1-CB 4.06Å; F417-V556 HydrophobicContact CD1-CG2 4.26Å; F417-V556 HydrophobicContact CE1-CB 4.15Å; F417-V556 HydrophobicContact CE1-CG2 3.88Å; F417-V556 HydrophobicContact CZ-CG2 4.38Å | ||
| 418 | L | 23.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 71% | 0.712 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -164.7 | 92.9 | 139 | -97 | 154.1 | 0 | 0 | 0 | 108.9 | N420 | L418-N420 PolarHBondContact O-N 3.04Š|
| 419 | E | 25.9 | Very low | 31 | Very low | 136 Ų | 136 | 96.2 Ų | 96.2 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 72.8 | -34.1 | 146.1 | -61.6 | -179.1 | 131.1 | 0 | 0 | 123 | ||
| 420 | N | 27.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 97 Ų | 97 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 133 | -176.4 | -83.5 | -37.6 | 0 | 0 | 0 | 114.3 | L418 | L418-N420 PolarHBondContact O-N 3.04Š|
| 421 | G | 26.6 | Very low | 34.7 | Very low | 50 Ų | 50 | 96.7 Ų | 96.7 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 134.3 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 422 | V | 26.9 | Very low | 37.1 | Very low | 71 Ų | 71 | 93.7 Ų | 93.7 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 137.8 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | S424 | V422-S424 PolarHBondContact O-N 2.83Š|
| 423 | P | 29.3 | Very low | 39.9 | Very low | 97 Ų | 97 | 87.6 Ų | 87.6 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 131.6 | 176 | -25.1 | 34.8 | 0 | 0 | 0 | 113.8 | G425 | P423-G425 PolarHBondContact O-N 3.17Å; P423-G425 VanDerWaalsContact O-N 3.07Å |
| 424 | S | 32.1 | Very low | 42.5 | Very low | 109 Ų | 109 | 82.2 Ų | 82.2 | 76% | 0.762 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 106.8 | 177.7 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | V422 | V422-S424 PolarHBondContact O-N 2.83Š|
| 425 | G | 35.5 | Very low | 44.8 | Very low | 73 Ų | 73 | 75.8 Ų | 75.8 | 75% | 0.753 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.7 | -18.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P423 | P423-G425 PolarHBondContact O-N 3.17Å; P423-G425 VanDerWaalsContact O-N 3.07Å |
| 426 | L | 38.7 | Very low | 47.2 | Very low | 123 Ų | 123 | 73.2 Ų | 73.2 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | trans | -95.5 | 113.2 | 175.4 | -83.3 | 161.7 | 0 | 0 | 0 | 111.2 | ||||
| 427 | N | 49.4 | Very low | 48.7 | Very low | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 124.5 | 165.6 | -65.7 | -40.7 | 0 | 0 | 0 | 109.2 | L551 | N427-L551 CarbonylContact C-O 3.56Å; N427-L551 WeakPolarHBondContact CA-O 3.3Å |
| 428 | L | 57.7 | Low | 49.9 | Very low | 47 Ų | 47 | 77.6 Ų | 77.6 | 25% | 0.246 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 136.6 | 171.2 | -67 | 169.2 | 0 | 0 | 0 | 109.9 | F432 L551 | L428-F432 HydrophobicContact CD1-CE1 4.09Å; L428-F432 HydrophobicContact CD1-CZ 4.1Å; L428-F432 HydrophobicContact CD2-CE2 4.3Å; L428-F432 HydrophobicContact CD2-CZ 4.38Å; L428-L551 HydrophobicContact CB-CB 4.34Å; L428-L551 HydrophobicContact CB-CD2 4.24Å; L428-L551 HydrophobicContact CB-CG 4.38Å; L428-L551 WeakPolarHBondContact CB-O 3.43Å; L428-L551 HydrophobicContact CD1-CD2 3.94Å; L428-L551 HydrophobicContact CD1-CG 4.06Å; L428-L551 PolarHBondContact N-O 2.76Å |
| 429 | A | 58.4 | Low | 51.2 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 69% | 0.686 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 138.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 430 | L | 60.1 | Low | 52.4 | Low | 50 Ų | 50 | 70.1 Ų | 70.1 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -107.5 | 148.3 | 176 | -58.8 | 178.4 | 0 | 0 | 0 | 110.2 | F432 I545 F549 L551 | L430-F432 HydrophobicContact CD2-CB 3.85Å; L430-I545 HydrophobicContact CD2-CB 4.45Å; L430-I545 HydrophobicContact CD2-CG2 4.09Å; L430-F549 HydrophobicContact CD1-CB 3.65Å; L430-F549 WeakPolarHBondContact CD1-O 3.3Å; L430-L551 HydrophobicContact CD2-CB 4.07Å; L430-L551 HydrophobicContact CD2-CD2 4.13Å |
| 431 | P | 70.6 | Confident | 53.6 | Low | 94 Ų | 94 | 68.4 Ų | 68.4 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | S | Bend | cis | -69.2 | 147.3 | -0.1 | 31.1 | -37.2 | 0 | 0 | 0 | 112.8 | L544 I545 H546 | P431-L544 HydrophobicContact CB-CD1 4.19Å; P431-I545 WeakPolarHBondContact CA-O 3.48Å; P431-H546 HydrophobicContact CB-CB 3.93Å |
| 432 | F | 75.3 | Confident | 55.1 | Low | 43 Ų | 43 | 67.4 Ų | 67.4 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.6 | -177.4 | -166.5 | -111.2 | 0 | 0 | 0 | 110.5 | L428 L430 L434 I545 L551 A554 | L428-F432 HydrophobicContact CD1-CE1 4.09Å; L428-F432 HydrophobicContact CD1-CZ 4.1Å; L428-F432 HydrophobicContact CD2-CE2 4.3Å; L428-F432 HydrophobicContact CD2-CZ 4.38Å; L430-F432 HydrophobicContact CD2-CB 3.85Å; F432-L434 HydrophobicContact CD1-CD2 3.28Å; F432-L434 HydrophobicContact CE1-CD2 3.38Å; F432-L434 HydrophobicContact CG-CD2 4.4Å; F432-I545 PolarHBondContact N-O 3.23Å; F432-I545 PolarHBondContact O-N 3.15Å; F432-L551 HydrophobicContact CB-CD2 4.22Å; F432-L551 HydrophobicContact CD1-CD2 3.71Å; F432-L551 HydrophobicContact CE1-CD2 4.41Å; F432-L551 HydrophobicContact CG-CD2 4.16Å; F432-A554 HydrophobicContact CE1-CB 4.31Å |
| 433 | W | 82.4 | Confident | 56.9 | Low | 90 Ų | 90 | 64.3 Ų | 64.3 | 34% | 0.341 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.6 | -174.8 | 177.1 | -111.1 | 0 | 0 | 0 | 112 | Y463 A543 L544 | W433-Y463 HydrophobicContact CH2-CD1 4.35Å; W433-Y463 AromaticContact CH2-CD2 3.83Å; W433-Y463 HydrophobicContact CH2-CD2 3.83Å; W433-Y463 HydrophobicContact CH2-CE2 4.41Å; W433-Y463 AromaticContact CH2-CG 3.78Å; W433-Y463 HydrophobicContact CH2-CG 3.78Å; W433-Y463 AromaticContact CZ3-CD2 3.51Å; W433-Y463 HydrophobicContact CZ3-CD2 3.51Å; W433-Y463 AromaticContact CZ3-CE2 3.76Å; W433-Y463 HydrophobicContact CZ3-CE2 3.76Å; W433-Y463 AromaticContact CZ3-CG 3.95Å; W433-Y463 HydrophobicContact CZ3-CG 3.95Å; W433-A543 VanDerWaalsContact CE3-C 3.46Å; W433-L544 HydrophobicContact CB-CD1 4.18Å; W433-L544 HydrophobicContact CE3-CB 3.83Å; W433-L544 HydrophobicContact CE3-CD1 3.94Å; W433-L544 HydrophobicContact CZ3-CB 4.05Å |
| 434 | L | 77.9 | Confident | 59 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 94.5 | -179.9 | -87.2 | 162.3 | 0 | 0 | 0 | 108.8 | F417 F432 F436 L445 G542 A543 I545 A554 V556 | F417-L434 HydrophobicContact CE1-CG 4.34Å; F417-L434 HydrophobicContact CE2-CD2 4.39Å; F417-L434 HydrophobicContact CE2-CG 4.31Å; F417-L434 HydrophobicContact CZ-CB 4.36Å; F417-L434 HydrophobicContact CZ-CD2 3.82Å; F417-L434 HydrophobicContact CZ-CG 3.64Å; F432-L434 HydrophobicContact CD1-CD2 3.28Å; F432-L434 HydrophobicContact CE1-CD2 3.38Å; F432-L434 HydrophobicContact CG-CD2 4.4Å; L434-F436 HydrophobicContact CB-CE1 4.28Å; L434-L445 HydrophobicContact CD1-CD1 3.33Å; L434-L445 HydrophobicContact CD1-CD2 4.15Å; L434-L445 HydrophobicContact CD1-CG 4.39Å; L434-G542 CarbonylContact O-C 3.51Å; L434-G542 WeakPolarHBondContact O-CA 3.46Å; L434-A543 HydrophobicContact CB-CB 4.33Å; L434-A543 WeakPolarHBondContact CB-O 3.22Å; L434-A543 HydrophobicContact CD1-CB 4.5Å; L434-A543 PolarHBondContact N-O 2.82Å; L434-A543 PolarHBondContact O-N 2.85Å; L434-I545 HydrophobicContact CD1-CD1 3.78Å; L434-I545 HydrophobicContact CD1-CG1 4.43Å; L434-I545 HydrophobicContact CD2-CD1 4.29Å; L434-A554 HydrophobicContact CD1-CB 4.35Å; L434-A554 HydrophobicContact CD2-CB 4.31Å; L434-V556 HydrophobicContact CB-CG2 3.95Å; L434-V556 HydrophobicContact CD1-CG2 4.05Å; L434-V556 HydrophobicContact CG-CG2 3.91Å |
| 435 | P | 71.7 | Confident | 61.2 | Low | 35 Ų | 35 | 55.6 Ų | 55.6 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.5 | 172.7 | 29.2 | -32.6 | 0 | 0 | 0 | 110.2 | K437 | P435-K437 PolarHBondContact O-N 3.41Å |
| 436 | F | 70.3 | Confident | 63.5 | Low | 17 Ų | 17 | 55.7 Ų | 55.7 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | trans | -85.4 | 111.5 | 175.7 | -59.8 | -19 | 0 | 0 | 0 | 108.9 | L434 L438 F462 M515 L540 T541 A543 V556 | L434-F436 HydrophobicContact CB-CE1 4.28Å; F436-L438 PolarHBondContact O-N 2.85Å; F436-F462 HydrophobicContact CE2-CD1 4.21Å; F436-F462 HydrophobicContact CZ-CD1 4Å; F436-F462 HydrophobicContact CZ-CE1 4.24Å; F436-M515 HydrophobicContact CE2-CE 3.71Å; F436-M515 HydrophobicContact CZ-CE 3.83Å; F436-L540 HydrophobicContact CD2-CB 3.59Å; F436-L540 HydrophobicContact CE2-CB 3.76Å; F436-L540 HydrophobicContact CE2-CD1 4.25Å; F436-T541 PolarHBondContact N-O 2.59Å; F436-A543 HydrophobicContact CE1-CB 4.07Å; F436-A543 HydrophobicContact CZ-CB 3.7Å; F436-V556 HydrophobicContact CD1-CB 4.32Å; F436-V556 HydrophobicContact CD1-CG1 3.58Å; F436-V556 HydrophobicContact CD1-CG2 3.81Å; F436-V556 HydrophobicContact CE1-CB 4.47Å; F436-V556 HydrophobicContact CE1-CG1 3.93Å; F436-V556 HydrophobicContact CE1-CG2 3.65Å; F436-V556 HydrophobicContact CG-CG1 4.41Å | ||
| 437 | K | 55.5 | Low | 65.7 | Low | 113 Ų | 113 | 50.2 Ų | 50.2 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | trans | -68.6 | -28.8 | -168.3 | -77.8 | -176.7 | 169.5 | -178.9 | 0 | 114.9 | F417 P435 | F417-K437 WeakPolarHBondContact O-CE 3.46Å; F417-K437 PolarHBondContact O-NZ 2.7Å; P435-K437 PolarHBondContact O-N 3.41Å | ||
| 438 | L | 53.9 | Low | 67.2 | Low | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -134.3 | 138.3 | -174.7 | -77.4 | 166.7 | 0 | 0 | 0 | 111 | F436 S440 Q443 P558 E560 | F436-L438 PolarHBondContact O-N 2.85Å; L438-S440 PolarHBondContact O-N 2.91Å; L438-S440 PolarHBondContact O-OG 2.95Å; L438-Q443 PolarHBondContact O-NE2 3.07Å; L438-P558 HydrophobicContact CB-CB 4.02Å; L438-E560 HydrophobicContact CD1-CG 4.02Å |
| 439 | P | 49.4 | Very low | 68.5 | Low | 93 Ų | 93 | 47.8 Ų | 47.8 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | trans | -80.3 | 65.6 | 178.2 | 34.8 | -36.7 | 0 | 0 | 0 | 112 | P539 | P439-P539 HydrophobicContact CB-CB 3.35Å; P439-P539 HydrophobicContact CB-CG 3.36Å | ||
| 440 | S | 51.5 | Low | 69.7 | Low | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | trans | -80.5 | 147.3 | 174.4 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | L438 T442 Q443 M559 | L438-S440 PolarHBondContact O-N 2.91Å; L438-S440 PolarHBondContact O-OG 2.95Å; S440-T442 WeakPolarHBondContact CB-O 3.42Å; S440-T442 PolarHBondContact O-N 3.22Å; S440-T442 PolarHBondContact OG-O 3.44Å; S440-Q443 WeakPolarHBondContact OG-CG 3.35Å; S440-M559 WeakPolarHBondContact CB-O 3.49Å; S440-M559 PolarHBondContact OG-N 3.1Å | ||
| 441 | A | 52.1 | Low | 70.8 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 65% | 0.653 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -67.9 | -20 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G517 | A441-G517 PolarHBondContact O-N 2.9Š|
| 442 | T | 57.7 | Low | 71.3 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 18% | 0.184 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -125.8 | 129.6 | 171.6 | -41.6 | 0 | 0 | 0 | 0 | 110 | S440 F444 M515 N516 M559 | S440-T442 WeakPolarHBondContact CB-O 3.42Å; S440-T442 PolarHBondContact O-N 3.22Å; S440-T442 PolarHBondContact OG-O 3.44Å; T442-F444 HydrophobicContact CG2-CD2 4.12Å; T442-F444 HydrophobicContact CG2-CE2 3.5Å; T442-F444 HydrophobicContact CG2-CZ 4.42Å; T442-M515 CarbonylContact C-O 3.57Å; T442-M515 VanDerWaalsContact CA-O 3.25Å; T442-M515 WeakPolarHBondContact CA-O 3.4Å; T442-M515 WeakPolarHBondContact CG2-O 3.49Å; T442-N516 HydrophobicContact CG2-CB 3.91Å; T442-N516 PolarHBondContact OG1-OD1 2.91Å; T442-M559 HydrophobicContact CG2-SD 4.14Å |
| 443 | Q | 66.5 | Low | 71.2 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.4 | 178.7 | -71.3 | 178.3 | -13.2 | 0 | 0 | 110.3 | L438 S440 M515 | L438-Q443 PolarHBondContact O-NE2 3.07Å; S440-Q443 WeakPolarHBondContact OG-CG 3.35Å; Q443-M515 HydrophobicContact CB-CE 3.98Å; Q443-M515 PolarHBondContact N-O 3.48Å; Q443-M515 PolarHBondContact O-N 3.23Å |
| 444 | F | 71.4 | Confident | 70.9 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.7 | -179.3 | -75.5 | -112.1 | 0 | 0 | 0 | 111.3 | T442 F446 I514 V556 L557 M559 | T442-F444 HydrophobicContact CG2-CD2 4.12Å; T442-F444 HydrophobicContact CG2-CE2 3.5Å; T442-F444 HydrophobicContact CG2-CZ 4.42Å; F444-F446 HydrophobicContact CB-CD2 4.25Å; F444-F446 HydrophobicContact CB-CE2 3.62Å; F444-F446 HydrophobicContact CB-CZ 4.29Å; F444-F446 AromaticContact CD1-CE2 3.96Å; F444-F446 HydrophobicContact CD1-CE2 3.96Å; F444-F446 AromaticContact CD1-CZ 3.75Å; F444-F446 HydrophobicContact CD1-CZ 3.75Å; F444-F446 HydrophobicContact CG-CE2 4.2Å; F444-F446 HydrophobicContact CG-CZ 4.44Å; F444-I514 HydrophobicContact CD1-CB 4.4Å; F444-I514 HydrophobicContact CD1-CD1 4.4Å; F444-I514 HydrophobicContact CD1-CG1 3.82Å; F444-I514 HydrophobicContact CD1-CG2 4.23Å; F444-I514 HydrophobicContact CE1-CB 4.18Å; F444-I514 HydrophobicContact CE1-CD1 3.75Å; F444-I514 HydrophobicContact CE1-CG1 3.61Å; F444-I514 HydrophobicContact CE1-CG2 3.7Å; F444-I514 HydrophobicContact CE2-CG2 4.01Å; F444-I514 HydrophobicContact CZ-CD1 4.45Å; F444-I514 HydrophobicContact CZ-CG1 4.38Å; F444-I514 HydrophobicContact CZ-CG2 3.58Å; F444-V556 WeakPolarHBondContact O-CA 3.37Å; F444-L557 HydrophobicContact CB-CB 4.35Å; F444-L557 PolarHBondContact N-O 3.38Å; F444-L557 VanDerWaalsContact N-O 3.17Å; F444-L557 PolarHBondContact O-N 2.69Å; F444-M559 HydrophobicContact CD2-CE 3.39Å; F444-M559 HydrophobicContact CD2-SD 3.94Å; F444-M559 HydrophobicContact CE2-CE 3.08Å; F444-M559 HydrophobicContact CE2-SD 3.56Å; F444-M559 VanDerWaalsContact CE2-SD 3.56Å; F444-M559 HydrophobicContact CG-CE 4.3Å; F444-M559 HydrophobicContact CZ-CE 3.78Å |
| 445 | L | 80.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.7 | 174.3 | 168.1 | 51.8 | 0 | 0 | 0 | 109.6 | L434 M447 F462 T512 V513 A543 V556 | L434-L445 HydrophobicContact CD1-CD1 3.33Å; L434-L445 HydrophobicContact CD1-CD2 4.15Å; L434-L445 HydrophobicContact CD1-CG 4.39Å; L445-M447 HydrophobicContact CD1-CG 3.93Å; L445-M447 HydrophobicContact CD1-SD 3.57Å; L445-M447 VanDerWaalsContact CD1-SD 3.57Å; L445-M447 HydrophobicContact CD2-SD 3.7Å; L445-M447 HydrophobicContact CG-CG 4.46Å; L445-M447 HydrophobicContact CG-SD 3.55Å; L445-M447 VanDerWaalsContact CG-SD 3.55Å; L445-F462 HydrophobicContact CD2-CE1 3.72Å; L445-F462 HydrophobicContact CD2-CZ 3.97Å; L445-T512 CarbonylContact O-C 3.54Å; L445-T512 WeakPolarHBondContact O-CA 3.44Å; L445-V513 HydrophobicContact CB-CB 4.28Å; L445-V513 PolarHBondContact N-O 3.26Å; L445-V513 PolarHBondContact O-N 2.98Å; L445-A543 HydrophobicContact CD2-CB 4.21Å; L445-V556 HydrophobicContact CD1-CG2 4.38Å |
| 446 | F | 82 | Confident | 71.8 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130 | 174.3 | -62.5 | -87.5 | 0 | 0 | 0 | 110.4 | F444 T512 A554 I555 L557 | F444-F446 HydrophobicContact CB-CD2 4.25Å; F444-F446 HydrophobicContact CB-CE2 3.62Å; F444-F446 HydrophobicContact CB-CZ 4.29Å; F444-F446 AromaticContact CD1-CE2 3.96Å; F444-F446 HydrophobicContact CD1-CE2 3.96Å; F444-F446 AromaticContact CD1-CZ 3.75Å; F444-F446 HydrophobicContact CD1-CZ 3.75Å; F444-F446 HydrophobicContact CG-CE2 4.2Å; F444-F446 HydrophobicContact CG-CZ 4.44Å; F446-T512 HydrophobicContact CD1-CG2 3.66Å; F446-T512 WeakPolarHBondContact CD1-OG1 3.18Å; F446-T512 HydrophobicContact CE1-CG2 3.44Å; F446-T512 VanDerWaalsContact CE1-CG2 3.44Å; F446-T512 HydrophobicContact CZ-CG2 4.18Å; F446-A554 CarbonylContact O-C 3.56Å; F446-A554 WeakPolarHBondContact O-CA 3.37Å; F446-I555 PolarHBondContact N-O 3.14Å; F446-I555 PolarHBondContact O-N 2.72Å; F446-L557 HydrophobicContact CD2-CD1 4.4Å; F446-L557 HydrophobicContact CD2-CG 4.47Å; F446-L557 HydrophobicContact CE2-CD1 3.93Å; F446-L557 HydrophobicContact CE2-CG 4.35Å |
| 447 | M | 85.3 | Confident | 72.5 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.2 | 175.8 | -70.9 | 132.2 | 54.6 | 0 | 0 | 111 | L445 I460 N510 V511 I545 L551 K553 A554 | L445-M447 HydrophobicContact CD1-CG 3.93Å; L445-M447 HydrophobicContact CD1-SD 3.57Å; L445-M447 VanDerWaalsContact CD1-SD 3.57Å; L445-M447 HydrophobicContact CD2-SD 3.7Å; L445-M447 HydrophobicContact CG-CG 4.46Å; L445-M447 HydrophobicContact CG-SD 3.55Å; L445-M447 VanDerWaalsContact CG-SD 3.55Å; M447-I460 HydrophobicContact CE-CD1 3.7Å; M447-I460 HydrophobicContact CE-CG1 4.29Å; M447-N510 CarbonylContact O-C 3.5Å; M447-N510 WeakPolarHBondContact O-CA 3.36Å; M447-V511 HydrophobicContact CB-CB 4.21Å; M447-V511 HydrophobicContact CE-CB 4.07Å; M447-V511 HydrophobicContact CE-CG1 4.03Å; M447-V511 PolarHBondContact N-O 3.34Å; M447-V511 PolarHBondContact O-N 3.32Å; M447-I545 HydrophobicContact CE-CD1 3.96Å; M447-I545 HydrophobicContact CE-CG1 4.37Å; M447-I545 HydrophobicContact CG-CD1 3.91Å; M447-I545 HydrophobicContact SD-CD1 3.65Å; M447-I545 HydrophobicContact SD-CG1 4.39Å; M447-L551 HydrophobicContact CB-CD1 4.01Å; M447-L551 HydrophobicContact CG-CD1 3.94Å; M447-K553 CarbonylContact C-O 3.49Å; M447-K553 VanDerWaalsContact CA-O 3.27Å; M447-K553 WeakPolarHBondContact CA-O 3.24Å; M447-A554 HydrophobicContact CG-CB 3.94Å |
| 448 | Q | 81.7 | Confident | 74.1 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.9 | 163.1 | -172.8 | 175.1 | 10.2 | 0 | 0 | 107.1 | Q552 K553 | Q448-Q552 PolarHBondContact O-N 2.77Å; Q448-K553 HydrophobicContact CB-CB 4.02Å; Q448-K553 PolarHBondContact N-O 3.4Å; Q448-K553 PolarHBondContact O-N 2.84Å; Q448-K553 VanDerWaalsContact O-N 3.12Å |
| 449 | T | 85.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 162.6 | -170.2 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | T508 F509 V511 F549 L550 | T449-T508 CarbonylContact O-C 3.56Å; T449-T508 VanDerWaalsContact O-CA 3.29Å; T449-T508 WeakPolarHBondContact O-CA 3.28Å; T449-F509 HydrophobicContact CG2-CD2 3.96Å; T449-F509 HydrophobicContact CG2-CE2 3.54Å; T449-F509 HydrophobicContact CG2-CZ 3.87Å; T449-F509 PolarHBondContact N-O 3.06Å; T449-F509 PolarHBondContact O-N 3.03Å; T449-V511 HydrophobicContact CG2-CG2 3.97Å; T449-F549 HydrophobicContact CG2-CD1 3.73Å; T449-F549 HydrophobicContact CG2-CE1 3.75Å; T449-F549 VanDerWaalsContact OG1-CD1 3.25Å; T449-F549 WeakPolarHBondContact OG1-CD1 3.42Å; T449-L550 WeakPolarHBondContact CA-O 3.42Å; T449-L550 PolarHBondContact OG1-O 2.76Å |
| 450 | S | 82.7 | Confident | 77.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 176.3 | 168.7 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | K507 F549 L550 | S450-K507 WeakPolarHBondContact CA-O 3.41Å; S450-K507 WeakPolarHBondContact CB-O 3.29Å; S450-F549 CarbonylContact O-C 3.57Å; S450-F549 WeakPolarHBondContact O-CA 3.24Å; S450-L550 PolarHBondContact N-O 3.47Å; S450-L550 PolarHBondContact O-N 2.86Å; S450-L550 WeakPolarHBondContact OG-CB 3.45Å; S450-L550 PolarHBondContact OG-O 3.45Å |
| 451 | L | 82.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 143 | 178.5 | -65.3 | 167.7 | 0 | 0 | 0 | 111.6 | P455 T458 Y476 H503 G506 F509 F549 | L451-P455 HydrophobicContact CB-CB 4.21Å; L451-P455 HydrophobicContact CB-CG 4.08Å; L451-P455 HydrophobicContact CD1-CG 4.2Å; L451-P455 HydrophobicContact CD2-CB 4.24Å; L451-T458 HydrophobicContact CD2-CG2 3.91Å; L451-Y476 HydrophobicContact CD1-CD1 4.08Å; L451-Y476 HydrophobicContact CD1-CE1 3.54Å; L451-Y476 HydrophobicContact CD2-CE1 4.04Å; L451-Y476 HydrophobicContact CD2-CE2 4.05Å; L451-Y476 WeakPolarHBondContact CD2-OH 3.4Å; L451-Y476 HydrophobicContact CG-CE1 4.46Å; L451-H503 HydrophobicContact CD1-CB 4.17Å; L451-G506 PolarHBondContact O-N 2.9Å; L451-F509 HydrophobicContact CD1-CE1 4.09Å; L451-F509 HydrophobicContact CD1-CZ 4.43Å; L451-F509 HydrophobicContact CD2-CZ 4.43Å; L451-F509 HydrophobicContact CG-CE1 3.96Å; L451-F509 HydrophobicContact CG-CZ 4.23Å; L451-F549 HydrophobicContact CD2-CD1 4.16Å; L451-F549 HydrophobicContact CD2-CE1 4.48Å |
| 452 | K | 81.3 | Confident | 81.2 | Confident | 69 Ų | 69 | 36.9 Ų | 36.9 | 30% | 0.3 | 18% | 0.176 | S | C | . | . | trans | -60 | 155.3 | 168.3 | -64 | 176.4 | -157.8 | 156.4 | 0 | 110.4 | K454 P455 G547 D548 L550 | K452-K454 PolarHBondContact O-N 3.42Å; K452-P455 VanDerWaalsContact O-CD 3.29Å; K452-P455 WeakPolarHBondContact O-CD 3.4Å; K452-G547 PolarHBondContact NZ-O 2.8Å; K452-D548 HydrophobicContact CD-CB 4.16Å; K452-D548 WeakPolarHBondContact CG-O 3.28Å; K452-D548 PolarHBondContact N-O 3Å; K452-D548 IonicContact NZ-OD1 2.75Å; K452-D548 PolarHBondContact NZ-OD1 3.42Å; K452-L550 HydrophobicContact CG-CD1 4.37Å; K452-L550 HydrophobicContact CG-CD2 3.93Å; K452-L550 HydrophobicContact CG-CG 3.84Å | ||
| 453 | P | 74.7 | Confident | 82.4 | Confident | 104 Ų | 104 | 37.2 Ų | 37.2 | 68% | 0.675 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -54.8 | 127.6 | 165.9 | -23.9 | 34.7 | 0 | 0 | 0 | 111.2 | A505 | P453-A505 HydrophobicContact CB-CB 4.36Å; P453-A505 HydrophobicContact CG-CB 4.43Å |
| 454 | K | 76 | Confident | 82.8 | Confident | 201 Ų | 201 | 37.9 Ų | 37.9 | 87% | 0.874 | 18% | 0.179 | S | C | * | . | S | Bend | trans | 53.4 | 66 | -174.3 | -56.2 | -176.7 | -179.7 | -174.8 | 0 | 112.6 | K452 | K452-K454 PolarHBondContact O-N 3.42Š|
| 455 | P | 83.2 | Confident | 82.9 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | trans | -71.7 | 133.6 | -179.9 | 32.5 | -32.6 | 0 | 0 | 0 | 109.9 | L451 K452 Y476 D548 | L451-P455 HydrophobicContact CB-CB 4.21Å; L451-P455 HydrophobicContact CB-CG 4.08Å; L451-P455 HydrophobicContact CD1-CG 4.2Å; L451-P455 HydrophobicContact CD2-CB 4.24Å; K452-P455 VanDerWaalsContact O-CD 3.29Å; K452-P455 WeakPolarHBondContact O-CD 3.4Å; P455-Y476 HydrophobicContact CB-CD2 3.91Å; P455-Y476 HydrophobicContact CB-CE2 4.32Å; P455-Y476 HydrophobicContact CB-CG 4.23Å; P455-Y476 HydrophobicContact CG-CD1 4.32Å; P455-Y476 HydrophobicContact CG-CD2 4.14Å; P455-Y476 HydrophobicContact CG-CG 3.93Å; P455-Y476 WeakPolarHBondContact O-CB 3.41Å; P455-D548 HydrophobicContact CB-CB 3.78Å | ||
| 456 | Y | 83.5 | Confident | 82.4 | Confident | 129 Ų | 129 | 41.5 Ų | 41.5 | 51% | 0.506 | 20% | 0.201 | S | C | . | . | trans | -94.1 | -54.6 | 176.7 | 175.5 | -107.7 | 0 | 0 | 0 | 110.8 | Y476 D477 D548 | Y456-Y476 PolarHBondContact O-N 2.79Å; Y456-D477 VanDerWaalsContact CD2-OD2 3.25Å; Y456-D477 WeakPolarHBondContact CD2-OD2 3.36Å; Y456-D548 PolarHBondContact N-OD2 2.87Å | ||
| 457 | S | 86.7 | Confident | 82 | Confident | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 150 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 114.5 | R473 G474 G547 D548 | S457-R473 PolarHBondContact OG-NH2 3.5Å; S457-G474 CarbonylContact C-O 3.56Å; S457-G474 WeakPolarHBondContact CA-O 3.42Å; S457-G474 WeakPolarHBondContact CB-O 3.33Å; S457-G547 CarbonylContact O-C 3.6Å; S457-G547 WeakPolarHBondContact O-CA 3.26Å; S457-D548 PolarHBondContact N-OD2 3.04Å; S457-D548 VanDerWaalsContact N-OD2 3.13Å; S457-D548 PolarHBondContact O-N 2.83Å |
| 458 | T | 88 | Confident | 81.7 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.4 | 176.7 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | L451 R473 G474 Y476 D548 F549 | L451-T458 HydrophobicContact CD2-CG2 3.91Å; T458-R473 CarbonylContact O-C 3.58Å; T458-R473 VanDerWaalsContact O-CA 3.3Å; T458-R473 WeakPolarHBondContact O-CA 3.45Å; T458-G474 PolarHBondContact N-O 3.41Å; T458-G474 VanDerWaalsContact N-O 3.07Å; T458-G474 PolarHBondContact O-N 2.84Å; T458-Y476 HydrophobicContact CG2-CE2 3.69Å; T458-Y476 VanDerWaalsContact OG1-CE2 3.31Å; T458-Y476 WeakPolarHBondContact OG1-CE2 3.35Å; T458-Y476 PolarHBondContact OG1-OH 2.97Å; T458-D548 HydrophobicContact CG2-CB 4.39Å; T458-F549 HydrophobicContact CG2-CB 4.35Å; T458-F549 HydrophobicContact CG2-CD1 3.61Å; T458-F549 HydrophobicContact CG2-CD2 3.77Å; T458-F549 HydrophobicContact CG2-CE1 3.76Å; T458-F549 HydrophobicContact CG2-CE2 3.94Å; T458-F549 HydrophobicContact CG2-CG 3.61Å; T458-F549 HydrophobicContact CG2-CZ 3.93Å |
| 459 | I | 89.4 | Confident | 81.5 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.9 | -173.7 | -55.9 | 169.4 | 0 | 0 | 0 | 110.1 | D461 F472 R473 H546 | I459-D461 WeakPolarHBondContact CG2-OD2 3.4Å; I459-F472 WeakPolarHBondContact CA-O 3.24Å; I459-R473 HydrophobicContact CD1-CG 4.48Å; I459-R473 HydrophobicContact CG1-CB 4.2Å; I459-R473 HydrophobicContact CG1-CG 3.79Å; I459-H546 VanDerWaalsContact CD1-CE1 3.47Å; I459-H546 WeakPolarHBondContact CD1-CE1 3.2Å; I459-H546 VanDerWaalsContact CG2-NE2 3.28Å; I459-H546 WeakPolarHBondContact CG2-NE2 3.15Å; I459-H546 PolarHBondContact N-O 2.97Å; I459-H546 PolarHBondContact O-N 3.39Å |
| 460 | I | 90.2 | Very high | 81.4 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.6 | 167.7 | -51.4 | 166.6 | 0 | 0 | 0 | 106.7 | M447 F462 F472 V511 F524 L544 F549 | M447-I460 HydrophobicContact CE-CD1 3.7Å; M447-I460 HydrophobicContact CE-CG1 4.29Å; I460-F462 HydrophobicContact CB-CE2 4.39Å; I460-F462 HydrophobicContact CG2-CD2 4.3Å; I460-F462 HydrophobicContact CG2-CE1 4.33Å; I460-F462 HydrophobicContact CG2-CE2 3.58Å; I460-F462 HydrophobicContact CG2-CZ 3.6Å; I460-F472 HydrophobicContact CD1-CD1 4.47Å; I460-F472 PolarHBondContact N-O 3.5Å; I460-F472 PolarHBondContact O-N 2.84Å; I460-V511 HydrophobicContact CD1-CG1 4.47Å; I460-F524 HydrophobicContact CD1-CE1 3.96Å; I460-F524 HydrophobicContact CD1-CZ 3.99Å; I460-L544 WeakPolarHBondContact CA-O 3.39Å; I460-F549 HydrophobicContact CD1-CE2 4.42Å; I460-F549 HydrophobicContact CG1-CE2 4.12Å |
| 461 | D | 89.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.4 | 176.8 | -72.1 | -59.2 | 0 | 0 | 0 | 109.9 | I459 Y463 I468 W470 H471 A543 L544 H546 | I459-D461 WeakPolarHBondContact CG2-OD2 3.4Å; D461-Y463 HydrophobicContact CB-CD2 4.26Å; D461-Y463 HydrophobicContact CB-CE2 3.62Å; D461-I468 HydrophobicContact CB-CD1 4.41Å; D461-I468 HydrophobicContact CB-CG1 4.43Å; D461-I468 HydrophobicContact CB-CG2 4.23Å; D461-W470 WeakPolarHBondContact CA-O 3.37Å; D461-H471 WeakPolarHBondContact OD1-CB 3.37Å; D461-H471 IonicContact OD1-CE1 2.68Å; D461-H471 IonicContact OD1-CG 3.14Å; D461-H471 IonicContact OD1-ND1 3.42Å; D461-H471 PolarHBondContact OD1-ND1 2.88Å; D461-H471 IonicContact OD2-ND1 2.77Å; D461-A543 CarbonylContact O-C 3.58Å; D461-A543 WeakPolarHBondContact O-CA 3.34Å; D461-L544 HydrophobicContact CB-CB 4.32Å; D461-L544 PolarHBondContact N-O 3.01Å; D461-L544 PolarHBondContact O-N 2.62Å; D461-H546 IonicContact OD2-CD2 2.75Å; D461-H546 IonicContact OD2-CE1 2.64Å; D461-H546 IonicContact OD2-NE2 3.24Å; D461-H546 PolarHBondContact OD2-NE2 3.05Å |
| 462 | F | 86.9 | Confident | 81.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.1 | 173.9 | -57 | -94.4 | 0 | 0 | 0 | 111.1 | F436 L445 I460 I468 V469 W470 V513 M515 L540 A543 | F436-F462 HydrophobicContact CE2-CD1 4.21Å; F436-F462 HydrophobicContact CZ-CD1 4Å; F436-F462 HydrophobicContact CZ-CE1 4.24Å; L445-F462 HydrophobicContact CD2-CE1 3.72Å; L445-F462 HydrophobicContact CD2-CZ 3.97Å; I460-F462 HydrophobicContact CB-CE2 4.39Å; I460-F462 HydrophobicContact CG2-CD2 4.3Å; I460-F462 HydrophobicContact CG2-CE1 4.33Å; I460-F462 HydrophobicContact CG2-CE2 3.58Å; I460-F462 HydrophobicContact CG2-CZ 3.6Å; F462-I468 WeakPolarHBondContact O-CA 2.88Å; F462-V469 WeakPolarHBondContact O-CG2 3.37Å; F462-V469 PolarHBondContact O-N 2.73Å; F462-W470 HydrophobicContact CB-CB 4.17Å; F462-W470 HydrophobicContact CD2-CB 4.05Å; F462-W470 PolarHBondContact N-O 3.18Å; F462-W470 PolarHBondContact O-N 2.86Å; F462-V513 HydrophobicContact CE1-CG1 4.46Å; F462-V513 HydrophobicContact CE2-CG1 4.41Å; F462-V513 HydrophobicContact CZ-CB 4.1Å; F462-V513 HydrophobicContact CZ-CG1 3.79Å; F462-V513 HydrophobicContact CZ-CG2 4.15Å; F462-M515 HydrophobicContact CD1-CE 3.94Å; F462-M515 HydrophobicContact CD1-SD 3.47Å; F462-M515 WeakPolarHBondContact CD1-SD 3.46Å; F462-M515 HydrophobicContact CE1-CE 3.84Å; F462-M515 HydrophobicContact CE1-SD 3.49Å; F462-M515 WeakPolarHBondContact CE1-SD 3.31Å; F462-M515 HydrophobicContact CG-SD 4.1Å; F462-M515 HydrophobicContact CZ-SD 4.14Å; F462-L540 HydrophobicContact CB-CD2 4.24Å; F462-A543 HydrophobicContact CD1-CB 3.7Å; F462-A543 HydrophobicContact CE1-CB 3.86Å; F462-A543 HydrophobicContact CG-CB 4.46Å |
| 463 | Y | 83 | Confident | 82.2 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.4 | -163.3 | -80.3 | -104.1 | 0 | 0 | 0 | 112.5 | W433 D461 G465 A467 I468 L540 T541 G542 L544 | W433-Y463 HydrophobicContact CH2-CD1 4.35Å; W433-Y463 AromaticContact CH2-CD2 3.83Å; W433-Y463 HydrophobicContact CH2-CD2 3.83Å; W433-Y463 HydrophobicContact CH2-CE2 4.41Å; W433-Y463 AromaticContact CH2-CG 3.78Å; W433-Y463 HydrophobicContact CH2-CG 3.78Å; W433-Y463 AromaticContact CZ3-CD2 3.51Å; W433-Y463 HydrophobicContact CZ3-CD2 3.51Å; W433-Y463 AromaticContact CZ3-CE2 3.76Å; W433-Y463 HydrophobicContact CZ3-CE2 3.76Å; W433-Y463 AromaticContact CZ3-CG 3.95Å; W433-Y463 HydrophobicContact CZ3-CG 3.95Å; D461-Y463 HydrophobicContact CB-CD2 4.26Å; D461-Y463 HydrophobicContact CB-CE2 3.62Å; Y463-G465 WeakPolarHBondContact CB-O 3.32Å; Y463-G465 WeakPolarHBondContact CD1-O 3.32Å; Y463-A467 WeakPolarHBondContact CA-O 3.18Å; Y463-I468 HydrophobicContact CD1-CG1 4.12Å; Y463-I468 HydrophobicContact CD2-CG1 4.36Å; Y463-I468 HydrophobicContact CE1-CD1 4.49Å; Y463-I468 HydrophobicContact CE1-CG1 3.55Å; Y463-I468 HydrophobicContact CE2-CG1 3.83Å; Y463-I468 VanDerWaalsContact CZ-CG1 3.4Å; Y463-L540 CarbonylContact O-C 3.58Å; Y463-L540 WeakPolarHBondContact O-CA 3.17Å; Y463-T541 PolarHBondContact O-N 2.66Å; Y463-G542 PolarHBondContact N-O 3.24Å; Y463-L544 HydrophobicContact CE2-CB 3.88Å |
| 464 | V | 74.6 | Confident | 82.9 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 101 | 162.6 | 173.1 | 0 | 0 | 0 | 0 | 107 | A467 V469 P536 K538 L540 | V464-A467 PolarHBondContact N-O 2.86Å; V464-A467 WeakPolarHBondContact O-CB 3.22Å; V464-A467 PolarHBondContact O-N 3.08Å; V464-V469 HydrophobicContact CB-CG1 3.85Å; V464-V469 HydrophobicContact CG2-CB 4.4Å; V464-V469 HydrophobicContact CG2-CG1 3.73Å; V464-V469 HydrophobicContact CG2-CG2 3.82Å; V464-P536 HydrophobicContact CG2-CB 4.25Å; V464-P536 HydrophobicContact CG2-CG 3.58Å; V464-K538 HydrophobicContact CG1-CB 3.5Å; V464-K538 VanDerWaalsContact CG1-CB 3.5Å; V464-K538 HydrophobicContact CG1-CD 4.07Å; V464-K538 HydrophobicContact CG1-CG 4.45Å; V464-L540 HydrophobicContact CG2-CD2 3.84Å |
| 465 | G | 74.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | -156.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D236 Y463 A467 T541 | D236-G465 WeakPolarHBondContact OD1-CA 3.17Å; D236-G465 VanDerWaalsContact OD2-C 3.28Å; D236-G465 VanDerWaalsContact OD2-CA 3.3Å; D236-G465 WeakPolarHBondContact OD2-CA 3.47Å; Y463-G465 WeakPolarHBondContact CB-O 3.32Å; Y463-G465 WeakPolarHBondContact CD1-O 3.32Å; G465-A467 PolarHBondContact O-N 2.76Å; G465-T541 PolarHBondContact N-OG1 3.06Å; G465-T541 PolarHBondContact O-OG1 3.08Å |
| 466 | D | 69.4 | Low | 83.5 | Confident | 93 Ų | 93 | 28.7 Ų | 28.7 | 50% | 0.497 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -6.5 | 169 | -51.9 | -77.3 | 0 | 0 | 0 | 114.1 | D236 T237 I468 | D236-D466 WeakPolarHBondContact CB-OD2 3.48Å; T237-D466 WeakPolarHBondContact CB-OD2 3.46Å; T237-D466 HydrophobicContact CG2-CB 4.33Å; T237-D466 VanDerWaalsContact CG2-OD2 3.3Å; T237-D466 WeakPolarHBondContact CG2-OD2 3.41Å; T237-D466 PolarHBondContact N-OD2 2.6Å; T237-D466 PolarHBondContact OG1-OD2 3.17Å; D466-I468 PolarHBondContact O-N 2.76Å |
| 467 | A | 73.6 | Confident | 83.3 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 35% | 0.347 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 111.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y463 V464 G465 V469 | Y463-A467 WeakPolarHBondContact CA-O 3.18Å; V464-A467 PolarHBondContact N-O 2.86Å; V464-A467 WeakPolarHBondContact O-CB 3.22Å; V464-A467 PolarHBondContact O-N 3.08Å; G465-A467 PolarHBondContact O-N 2.76Å; A467-V469 PolarHBondContact O-N 2.8Å; A467-V469 VanDerWaalsContact O-N 3.17Å |
| 468 | I | 78 | Confident | 83.1 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 23% | 0.226 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 120.4 | 162.7 | -55.9 | 171.2 | 0 | 0 | 0 | 108.2 | D461 F462 Y463 D466 W470 H471 K486 W491 | D461-I468 HydrophobicContact CB-CD1 4.41Å; D461-I468 HydrophobicContact CB-CG1 4.43Å; D461-I468 HydrophobicContact CB-CG2 4.23Å; F462-I468 WeakPolarHBondContact O-CA 2.88Å; Y463-I468 HydrophobicContact CD1-CG1 4.12Å; Y463-I468 HydrophobicContact CD2-CG1 4.36Å; Y463-I468 HydrophobicContact CE1-CD1 4.49Å; Y463-I468 HydrophobicContact CE1-CG1 3.55Å; Y463-I468 HydrophobicContact CE2-CG1 3.83Å; Y463-I468 VanDerWaalsContact CZ-CG1 3.4Å; D466-I468 PolarHBondContact O-N 2.76Å; I468-W470 WeakPolarHBondContact CG2-O 3.47Å; I468-H471 HydrophobicContact CG2-CB 4.29Å; I468-K486 VanDerWaalsContact O-CD 3.23Å; I468-K486 WeakPolarHBondContact O-CD 3.22Å; I468-W491 HydrophobicContact CG2-CH2 3.94Å |
| 469 | V | 78.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -29.8 | 174.6 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | F462 V464 A467 W485 K486 P536 L540 | F462-V469 WeakPolarHBondContact O-CG2 3.37Å; F462-V469 PolarHBondContact O-N 2.73Å; V464-V469 HydrophobicContact CB-CG1 3.85Å; V464-V469 HydrophobicContact CG2-CB 4.4Å; V464-V469 HydrophobicContact CG2-CG1 3.73Å; V464-V469 HydrophobicContact CG2-CG2 3.82Å; A467-V469 PolarHBondContact O-N 2.8Å; A467-V469 VanDerWaalsContact O-N 3.17Å; V469-W485 CarbonylContact O-C 3.59Å; V469-W485 VanDerWaalsContact O-CA 3.32Å; V469-W485 WeakPolarHBondContact O-CA 3.34Å; V469-K486 PolarHBondContact O-N 2.81Å; V469-P536 HydrophobicContact CB-CG 4.36Å; V469-P536 HydrophobicContact CG1-CB 4.45Å; V469-P536 HydrophobicContact CG1-CG 4.16Å; V469-P536 HydrophobicContact CG2-CG 4.32Å; V469-L540 HydrophobicContact CG2-CD2 3.49Å; V469-L540 VanDerWaalsContact CG2-CD2 3.49Å |
| 470 | W | 82.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131 | 175 | -74.8 | 58.8 | 0 | 0 | 0 | 109.5 | D461 F462 I468 L483 N484 W485 V520 D531 | D461-W470 WeakPolarHBondContact CA-O 3.37Å; F462-W470 HydrophobicContact CB-CB 4.17Å; F462-W470 HydrophobicContact CD2-CB 4.05Å; F462-W470 PolarHBondContact N-O 3.18Å; F462-W470 PolarHBondContact O-N 2.86Å; I468-W470 WeakPolarHBondContact CG2-O 3.47Å; W470-L483 HydrophobicContact CD2-CD1 4.38Å; W470-L483 HydrophobicContact CE3-CD1 3.47Å; W470-L483 VanDerWaalsContact CE3-CD1 3.47Å; W470-L483 HydrophobicContact CE3-CD2 4.33Å; W470-L483 HydrophobicContact CE3-CG 4.42Å; W470-L483 HydrophobicContact CZ3-CD1 3.82Å; W470-L483 HydrophobicContact CZ3-CD2 3.79Å; W470-L483 HydrophobicContact CZ3-CG 4.32Å; W470-N484 WeakPolarHBondContact CA-O 3.23Å; W470-W485 AromaticContact CD1-CD1 3.57Å; W470-W485 AromaticContact CE2-CD1 3.86Å; W470-W485 AromaticContact NE1-CD1 3.18Å; W470-W485 AromaticContact NE1-CG 4Å; W470-W485 AromaticContact NE1-NE1 3.8Å; W470-V520 HydrophobicContact CD2-CG2 4.16Å; W470-V520 HydrophobicContact CE3-CB 4.12Å; W470-V520 HydrophobicContact CE3-CG1 4.27Å; W470-V520 HydrophobicContact CE3-CG2 3.99Å; W470-V520 HydrophobicContact CH2-CB 3.47Å; W470-V520 VanDerWaalsContact CH2-CB 3.47Å; W470-V520 HydrophobicContact CH2-CG1 4.43Å; W470-V520 HydrophobicContact CH2-CG2 3.42Å; W470-V520 VanDerWaalsContact CH2-CG2 3.42Å; W470-V520 HydrophobicContact CZ2-CB 4.15Å; W470-V520 HydrophobicContact CZ2-CG2 3.56Å; W470-V520 HydrophobicContact CZ3-CB 3.43Å; W470-V520 VanDerWaalsContact CZ3-CB 3.43Å; W470-V520 HydrophobicContact CZ3-CG1 3.9Å; W470-V520 HydrophobicContact CZ3-CG2 3.64Å; W470-D531 HydrophobicContact CH2-CB 3.57Å; W470-D531 WeakPolarHBondContact CH2-OD2 3.38Å; W470-D531 HydrophobicContact CZ3-CB 3.82Å |
| 471 | H | 86.5 | Confident | 82.5 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 107.5 | 174.8 | 173 | 87.8 | 0 | 0 | 0 | 108.1 | D461 I468 N484 W491 | D461-H471 WeakPolarHBondContact OD1-CB 3.37Å; D461-H471 IonicContact OD1-CE1 2.68Å; D461-H471 IonicContact OD1-CG 3.14Å; D461-H471 IonicContact OD1-ND1 3.42Å; D461-H471 PolarHBondContact OD1-ND1 2.88Å; D461-H471 IonicContact OD2-ND1 2.77Å; I468-H471 HydrophobicContact CG2-CB 4.29Å; H471-N484 HydrophobicContact CB-CB 4.31Å; H471-N484 PolarHBondContact CD2-ND2 2.91Å; H471-N484 PolarHBondContact N-O 3.11Å; H471-N484 PolarHBondContact O-N 2.98Å; H471-W491 HydrophobicContact CB-CH2 3.77Å; H471-W491 HydrophobicContact CB-CZ3 4.12Å |
| 472 | F | 88.5 | Confident | 82.4 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.2 | 178.4 | -176.5 | -85.5 | 0 | 0 | 0 | 109.7 | I459 I460 W481 L483 F524 I529 | I459-F472 WeakPolarHBondContact CA-O 3.24Å; I460-F472 HydrophobicContact CD1-CD1 4.47Å; I460-F472 PolarHBondContact N-O 3.5Å; I460-F472 PolarHBondContact O-N 2.84Å; F472-W481 HydrophobicContact CD1-CE3 4.25Å; F472-W481 HydrophobicContact CD1-CZ3 4.46Å; F472-W481 AromaticContact CE1-CD2 3.87Å; F472-W481 HydrophobicContact CE1-CD2 3.87Å; F472-W481 AromaticContact CE1-CE3 3.19Å; F472-W481 HydrophobicContact CE1-CE3 3.19Å; F472-W481 HydrophobicContact CE1-CH2 4.34Å; F472-W481 AromaticContact CE1-CZ3 3.48Å; F472-W481 HydrophobicContact CE1-CZ3 3.48Å; F472-W481 VanDerWaalsContact CE1-CZ3 3.48Å; F472-W481 HydrophobicContact CE2-CB 4.31Å; F472-W481 HydrophobicContact CZ-CB 3.96Å; F472-W481 AromaticContact CZ-CD2 3.59Å; F472-W481 HydrophobicContact CZ-CD2 3.59Å; F472-W481 AromaticContact CZ-CE3 3.4Å; F472-W481 HydrophobicContact CZ-CE3 3.4Å; F472-W481 VanDerWaalsContact CZ-CE3 3.4Å; F472-W481 AromaticContact CZ-CG 3.86Å; F472-W481 HydrophobicContact CZ-CG 3.86Å; F472-W481 HydrophobicContact CZ-CZ3 4.09Å; F472-L483 HydrophobicContact CB-CD1 4.36Å; F472-L483 HydrophobicContact CD2-CB 4.15Å; F472-L483 HydrophobicContact CD2-CD1 4.15Å; F472-F524 HydrophobicContact CD1-CE1 4.45Å; F472-F524 HydrophobicContact CD1-CE2 4.29Å; F472-F524 AromaticContact CD1-CZ 3.68Å; F472-F524 HydrophobicContact CD1-CZ 3.68Å; F472-F524 HydrophobicContact CE1-CD2 4.41Å; F472-F524 AromaticContact CE1-CE1 3.77Å; F472-F524 HydrophobicContact CE1-CE1 3.77Å; F472-F524 AromaticContact CE1-CE2 3.42Å; F472-F524 HydrophobicContact CE1-CE2 3.42Å; F472-F524 VanDerWaalsContact CE1-CE2 3.42Å; F472-F524 AromaticContact CE1-CZ 3.05Å; F472-F524 HydrophobicContact CE1-CZ 3.05Å; F472-F524 HydrophobicContact CE2-CE2 4.1Å; F472-F524 HydrophobicContact CE2-CZ 4.44Å; F472-F524 HydrophobicContact CZ-CD2 4.16Å; F472-F524 HydrophobicContact CZ-CE1 4.45Å; F472-F524 AromaticContact CZ-CE2 3.3Å; F472-F524 HydrophobicContact CZ-CE2 3.3Å; F472-F524 AromaticContact CZ-CZ 3.52Å; F472-F524 HydrophobicContact CZ-CZ 3.52Å; F472-I529 HydrophobicContact CE2-CD1 3.81Å; F472-I529 HydrophobicContact CE2-CG2 4.45Å; F472-I529 HydrophobicContact CZ-CD1 3.68Å |
| 473 | R | 89.7 | Confident | 82.3 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.2 | -172.3 | 179.7 | 164.9 | -169.7 | 179.8 | 5 | 113 | S457 T458 I459 Y475 W481 V482 | S457-R473 PolarHBondContact OG-NH2 3.5Å; T458-R473 CarbonylContact O-C 3.58Å; T458-R473 VanDerWaalsContact O-CA 3.3Å; T458-R473 WeakPolarHBondContact O-CA 3.45Å; I459-R473 HydrophobicContact CD1-CG 4.48Å; I459-R473 HydrophobicContact CG1-CB 4.2Å; I459-R473 HydrophobicContact CG1-CG 3.79Å; R473-Y475 WeakPolarHBondContact CD-OH 3.37Å; R473-Y475 HydrophobicContact CG-CD2 4.21Å; R473-Y475 HydrophobicContact CG-CE2 3.8Å; R473-Y475 PolarHBondContact NE-OH 2.86Å; R473-Y475 PolarHBondContact NH1-OH 3.37Å; R473-W481 CarbonylContact O-C 3.18Å; R473-W481 WeakPolarHBondContact O-CA 3.11Å; R473-V482 PolarHBondContact N-O 3.05Å; R473-V482 PolarHBondContact O-N 3.42Å |
| 474 | G | 89 | Confident | 82.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | S457 T458 | S457-G474 CarbonylContact C-O 3.56Å; S457-G474 WeakPolarHBondContact CA-O 3.42Å; S457-G474 WeakPolarHBondContact CB-O 3.33Å; T458-G474 PolarHBondContact N-O 3.41Å; T458-G474 VanDerWaalsContact N-O 3.07Å; T458-G474 PolarHBondContact O-N 2.84Å |
| 475 | Y | 87.4 | Confident | 82.4 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 26% | 0.255 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.6 | 164.4 | -63.6 | -89.6 | 0 | 0 | 0 | 107.9 | R473 S478 K479 L480 V482 | R473-Y475 WeakPolarHBondContact CD-OH 3.37Å; R473-Y475 HydrophobicContact CG-CD2 4.21Å; R473-Y475 HydrophobicContact CG-CE2 3.8Å; R473-Y475 PolarHBondContact NE-OH 2.86Å; R473-Y475 PolarHBondContact NH1-OH 3.37Å; Y475-S478 VanDerWaalsContact CB-OG 3.3Å; Y475-S478 WeakPolarHBondContact CB-OG 3.22Å; Y475-K479 WeakPolarHBondContact O-CA 3.48Å; Y475-K479 PolarHBondContact O-N 2.79Å; Y475-K479 VanDerWaalsContact O-N 3.16Å; Y475-L480 PolarHBondContact N-O 3.33Å; Y475-L480 PolarHBondContact O-N 2.62Å; Y475-V482 HydrophobicContact CD2-CG2 3.89Å; Y475-V482 HydrophobicContact CE2-CB 4.3Å; Y475-V482 HydrophobicContact CE2-CG2 3.75Å |
| 476 | Y | 83.5 | Confident | 82.3 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -40 | -172.3 | -66.9 | -83.5 | 0 | 0 | 0 | 112.1 | L451 P455 Y456 T458 S478 K479 M499 H503 | L451-Y476 HydrophobicContact CD1-CD1 4.08Å; L451-Y476 HydrophobicContact CD1-CE1 3.54Å; L451-Y476 HydrophobicContact CD2-CE1 4.04Å; L451-Y476 HydrophobicContact CD2-CE2 4.05Å; L451-Y476 WeakPolarHBondContact CD2-OH 3.4Å; L451-Y476 HydrophobicContact CG-CE1 4.46Å; P455-Y476 HydrophobicContact CB-CD2 3.91Å; P455-Y476 HydrophobicContact CB-CE2 4.32Å; P455-Y476 HydrophobicContact CB-CG 4.23Å; P455-Y476 HydrophobicContact CG-CD1 4.32Å; P455-Y476 HydrophobicContact CG-CD2 4.14Å; P455-Y476 HydrophobicContact CG-CG 3.93Å; P455-Y476 WeakPolarHBondContact O-CB 3.41Å; Y456-Y476 PolarHBondContact O-N 2.79Å; T458-Y476 HydrophobicContact CG2-CE2 3.69Å; T458-Y476 VanDerWaalsContact OG1-CE2 3.31Å; T458-Y476 WeakPolarHBondContact OG1-CE2 3.35Å; T458-Y476 PolarHBondContact OG1-OH 2.97Å; Y476-S478 VanDerWaalsContact C-N 3.29Å; Y476-S478 PolarHBondContact O-N 2.82Å; Y476-K479 VanDerWaalsContact O-CG 3.32Å; Y476-K479 WeakPolarHBondContact O-CG 3.42Å; Y476-K479 PolarHBondContact O-N 3.48Å; Y476-M499 HydrophobicContact CD1-CE 3.86Å; Y476-M499 HydrophobicContact CD1-SD 3.44Å; Y476-M499 WeakPolarHBondContact CD1-SD 3.13Å; Y476-M499 HydrophobicContact CE1-CE 3.74Å; Y476-M499 HydrophobicContact CE1-SD 3.48Å; Y476-M499 WeakPolarHBondContact CE1-SD 3.26Å; Y476-M499 HydrophobicContact CG-CE 4.36Å; Y476-M499 HydrophobicContact CG-SD 4.37Å; Y476-H503 HydrophobicContact CD1-CB 3.94Å |
| 477 | D | 80.2 | Confident | 82.1 | Confident | 125 Ų | 125 | 39 Ų | 39 | 67% | 0.668 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -43.2 | 176.7 | -62.3 | -15.7 | 0 | 0 | 0 | 112.2 | Y456 | Y456-D477 VanDerWaalsContact CD2-OD2 3.25Å; Y456-D477 WeakPolarHBondContact CD2-OD2 3.36Å |
| 478 | S | 82.6 | Confident | 81.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 47% | 0.469 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.8 | 178.2 | 61 | 0 | 0 | 0 | 0 | 114.2 | Y475 Y476 L480 | Y475-S478 VanDerWaalsContact CB-OG 3.3Å; Y475-S478 WeakPolarHBondContact CB-OG 3.22Å; Y476-S478 VanDerWaalsContact C-N 3.29Å; Y476-S478 PolarHBondContact O-N 2.82Å; S478-L480 VanDerWaalsContact C-N 3.3Å; S478-L480 WeakPolarHBondContact O-CG 3.35Å; S478-L480 PolarHBondContact O-N 3.36Å |
| 479 | K | 83 | Confident | 80.8 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 48.8 | -179.8 | -60 | 176.8 | -177.2 | 171.4 | 0 | 112.8 | Y475 Y476 M499 | Y475-K479 WeakPolarHBondContact O-CA 3.48Å; Y475-K479 PolarHBondContact O-N 2.79Å; Y475-K479 VanDerWaalsContact O-N 3.16Å; Y476-K479 VanDerWaalsContact O-CG 3.32Å; Y476-K479 WeakPolarHBondContact O-CG 3.42Å; Y476-K479 PolarHBondContact O-N 3.48Å; K479-M499 VanDerWaalsContact C-CB 3.45Å; K479-M499 HydrophobicContact CB-CB 4.32Å; K479-M499 WeakPolarHBondContact O-CB 3.35Å; K479-M499 PolarHBondContact O-N 3Å |
| 480 | L | 84.9 | Confident | 79.9 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.8 | -175.4 | -84.6 | 163.6 | 0 | 0 | 0 | 111.9 | Y475 S478 | Y475-L480 PolarHBondContact N-O 3.33Å; Y475-L480 PolarHBondContact O-N 2.62Å; S478-L480 VanDerWaalsContact C-N 3.3Å; S478-L480 WeakPolarHBondContact O-CG 3.35Å; S478-L480 PolarHBondContact O-N 3.36Å |
| 481 | W | 86.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.9 | 159.7 | -60.2 | 112.6 | 0 | 0 | 0 | 109.3 | F472 R473 Y496 F497 M499 V501 F524 I529 | F472-W481 HydrophobicContact CD1-CE3 4.25Å; F472-W481 HydrophobicContact CD1-CZ3 4.46Å; F472-W481 AromaticContact CE1-CD2 3.87Å; F472-W481 HydrophobicContact CE1-CD2 3.87Å; F472-W481 AromaticContact CE1-CE3 3.19Å; F472-W481 HydrophobicContact CE1-CE3 3.19Å; F472-W481 HydrophobicContact CE1-CH2 4.34Å; F472-W481 AromaticContact CE1-CZ3 3.48Å; F472-W481 HydrophobicContact CE1-CZ3 3.48Å; F472-W481 VanDerWaalsContact CE1-CZ3 3.48Å; F472-W481 HydrophobicContact CE2-CB 4.31Å; F472-W481 HydrophobicContact CZ-CB 3.96Å; F472-W481 AromaticContact CZ-CD2 3.59Å; F472-W481 HydrophobicContact CZ-CD2 3.59Å; F472-W481 AromaticContact CZ-CE3 3.4Å; F472-W481 HydrophobicContact CZ-CE3 3.4Å; F472-W481 VanDerWaalsContact CZ-CE3 3.4Å; F472-W481 AromaticContact CZ-CG 3.86Å; F472-W481 HydrophobicContact CZ-CG 3.86Å; F472-W481 HydrophobicContact CZ-CZ3 4.09Å; R473-W481 CarbonylContact O-C 3.18Å; R473-W481 WeakPolarHBondContact O-CA 3.11Å; W481-Y496 WeakPolarHBondContact O-CA 3.44Å; W481-F497 HydrophobicContact CB-CB 4.29Å; W481-F497 PolarHBondContact N-O 3.44Å; W481-F497 PolarHBondContact O-N 3.13Å; W481-M499 HydrophobicContact CD2-CE 3.95Å; W481-M499 HydrophobicContact CE3-CE 4.12Å; W481-M499 HydrophobicContact CH2-CE 4.09Å; W481-M499 HydrophobicContact CZ2-CE 3.92Å; W481-M499 HydrophobicContact CZ2-CG 4.09Å; W481-M499 HydrophobicContact CZ2-SD 4.33Å; W481-M499 HydrophobicContact CZ3-CE 4.19Å; W481-V501 HydrophobicContact CZ2-CG2 3.93Å; W481-F524 AromaticContact CH2-CD1 3.82Å; W481-F524 HydrophobicContact CH2-CD1 3.82Å; W481-F524 HydrophobicContact CH2-CE1 4.09Å; W481-F524 HydrophobicContact CH2-CG 4.28Å; W481-F524 HydrophobicContact CZ2-CB 4.25Å; W481-F524 HydrophobicContact CZ2-CD1 4.02Å; W481-F524 HydrophobicContact CZ2-CG 4.02Å; W481-F524 HydrophobicContact CZ3-CE1 4.36Å; W481-I529 HydrophobicContact CB-CD1 4.05Å; W481-I529 HydrophobicContact CD2-CD1 4.38Å; W481-I529 HydrophobicContact CG-CD1 3.73Å |
| 482 | V | 85.9 | Confident | 78.2 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.2 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | R473 Y475 Q494 R495 Y496 | R473-V482 PolarHBondContact N-O 3.05Å; R473-V482 PolarHBondContact O-N 3.42Å; Y475-V482 HydrophobicContact CD2-CG2 3.89Å; Y475-V482 HydrophobicContact CE2-CB 4.3Å; Y475-V482 HydrophobicContact CE2-CG2 3.75Å; V482-Q494 HydrophobicContact CG1-CB 4.43Å; V482-R495 CarbonylContact C-O 3.52Å; V482-R495 WeakPolarHBondContact CA-O 3.33Å; V482-Y496 HydrophobicContact CG1-CE1 4.15Å; V482-Y496 HydrophobicContact CG2-CD1 3.7Å; V482-Y496 HydrophobicContact CG2-CE1 3.65Å |
| 483 | L | 84.8 | Confident | 77 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.2 | -177.5 | 170.2 | 56.9 | 0 | 0 | 0 | 110.7 | W470 F472 R495 F497 D531 | W470-L483 HydrophobicContact CD2-CD1 4.38Å; W470-L483 HydrophobicContact CE3-CD1 3.47Å; W470-L483 VanDerWaalsContact CE3-CD1 3.47Å; W470-L483 HydrophobicContact CE3-CD2 4.33Å; W470-L483 HydrophobicContact CE3-CG 4.42Å; W470-L483 HydrophobicContact CZ3-CD1 3.82Å; W470-L483 HydrophobicContact CZ3-CD2 3.79Å; W470-L483 HydrophobicContact CZ3-CG 4.32Å; F472-L483 HydrophobicContact CB-CD1 4.36Å; F472-L483 HydrophobicContact CD2-CB 4.15Å; F472-L483 HydrophobicContact CD2-CD1 4.15Å; L483-R495 HydrophobicContact CB-CB 4.46Å; L483-R495 PolarHBondContact N-O 3.16Å; L483-R495 PolarHBondContact O-N 2.89Å; L483-F497 HydrophobicContact CB-CE2 4.17Å; L483-F497 HydrophobicContact CD2-CE2 4.16Å; L483-D531 HydrophobicContact CD2-CB 3.57Å; L483-D531 WeakPolarHBondContact CD2-OD2 3.41Å |
| 484 | N | 84.4 | Confident | 76.3 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.7 | 176.4 | -48.7 | -34.5 | 0 | 0 | 0 | 109.7 | W470 H471 W491 Q494 | W470-N484 WeakPolarHBondContact CA-O 3.23Å; H471-N484 HydrophobicContact CB-CB 4.31Å; H471-N484 PolarHBondContact CD2-ND2 2.91Å; H471-N484 PolarHBondContact N-O 3.11Å; H471-N484 PolarHBondContact O-N 2.98Å; N484-W491 HydrophobicContact CB-CD2 4.47Å; N484-W491 HydrophobicContact CB-CE3 3.56Å; N484-W491 HydrophobicContact CB-CH2 4.43Å; N484-W491 HydrophobicContact CB-CZ3 3.55Å; N484-Q494 PolarHBondContact ND2-NE2 2.91Å; N484-Q494 VanDerWaalsContact OD1-CB 3.26Å; N484-Q494 WeakPolarHBondContact OD1-CB 3.44Å; N484-Q494 WeakPolarHBondContact OD1-CG 3.41Å; N484-Q494 PolarHBondContact OD1-NE2 2.83Å |
| 485 | W | 76.9 | Confident | 75.6 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 6% | 0.057 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.6 | 173.4 | 162.2 | 65.2 | 0 | 0 | 0 | 110.6 | V469 W470 R487 W491 Q492 R533 D534 | V469-W485 CarbonylContact O-C 3.59Å; V469-W485 VanDerWaalsContact O-CA 3.32Å; V469-W485 WeakPolarHBondContact O-CA 3.34Å; W470-W485 AromaticContact CD1-CD1 3.57Å; W470-W485 AromaticContact CE2-CD1 3.86Å; W470-W485 AromaticContact NE1-CD1 3.18Å; W470-W485 AromaticContact NE1-CG 4Å; W470-W485 AromaticContact NE1-NE1 3.8Å; W485-R487 HydrophobicContact CH2-CB 3.89Å; W485-R487 HydrophobicContact CH2-CG 4.05Å; W485-R487 HydrophobicContact CZ2-CB 3.63Å; W485-R487 HydrophobicContact CZ2-CG 3.69Å; W485-R487 HydrophobicContact CZ3-CB 4.41Å; W485-W491 CarbonylContact O-C 3.02Å; W485-W491 WeakPolarHBondContact O-CA 3.43Å; W485-Q492 HydrophobicContact CD2-CB 4.2Å; W485-Q492 HydrophobicContact CE3-CB 3.29Å; W485-Q492 HydrophobicContact CE3-CG 3.94Å; W485-Q492 HydrophobicContact CZ3-CB 3.55Å; W485-Q492 HydrophobicContact CZ3-CG 3.85Å; W485-Q492 PolarHBondContact O-N 3.36Å; W485-R533 HydrophobicContact CD2-CB 4.07Å; W485-R533 HydrophobicContact CE3-CB 3.81Å; W485-R533 HydrophobicContact CE3-CG 4.16Å; W485-R533 HydrophobicContact CH2-CB 4.1Å; W485-R533 HydrophobicContact CZ2-CB 4.39Å; W485-R533 HydrophobicContact CZ3-CB 3.84Å; W485-R533 HydrophobicContact CZ3-CG 4.15Å; W485-D534 HydrophobicContact CZ2-CB 4.43Å; W485-D534 WeakPolarHBondContact CZ2-O 3.36Å; W485-D534 PolarHBondContact NE1-O 3Å |
| 486 | K | 72.4 | Confident | 75.3 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 113.8 | -174.4 | -161.6 | -173.5 | -174.3 | -172.9 | 0 | 110.9 | I468 V469 S489 L490 W491 | I468-K486 VanDerWaalsContact O-CD 3.23Å; I468-K486 WeakPolarHBondContact O-CD 3.22Å; V469-K486 PolarHBondContact O-N 2.81Å; K486-S489 WeakPolarHBondContact CE-O 3.46Å; K486-L490 CarbonylContact C-O 3.6Å; K486-L490 VanDerWaalsContact CA-O 3.26Å; K486-L490 WeakPolarHBondContact CA-O 3.16Å; K486-L490 WeakPolarHBondContact CG-O 3.28Å; K486-W491 HydrophobicContact CB-CD2 4.14Å; K486-W491 HydrophobicContact CB-CE3 3.79Å; K486-W491 HydrophobicContact CB-CH2 4.43Å; K486-W491 HydrophobicContact CB-CZ3 3.94Å; K486-W491 HydrophobicContact CD-CZ2 4.39Å; K486-W491 HydrophobicContact CG-CD2 4.21Å; K486-W491 HydrophobicContact CG-CE3 4.37Å |
| 487 | R | 64.5 | Low | 75.2 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.4 | 175.5 | -155.4 | -169.1 | -167.2 | 151.5 | 9 | 110.1 | W485 S489 L490 Q492 D534 | W485-R487 HydrophobicContact CH2-CB 3.89Å; W485-R487 HydrophobicContact CH2-CG 4.05Å; W485-R487 HydrophobicContact CZ2-CB 3.63Å; W485-R487 HydrophobicContact CZ2-CG 3.69Å; W485-R487 HydrophobicContact CZ3-CB 4.41Å; R487-S489 PolarHBondContact O-N 2.85Å; R487-L490 PolarHBondContact N-O 3.07Å; R487-L490 PolarHBondContact O-N 3.44Å; R487-Q492 HydrophobicContact CB-CG 3.67Å; R487-D534 IonicContact CZ-OD2 3.47Å; R487-D534 IonicContact NH1-OD2 3.78Å; R487-D534 PolarHBondContact NH1-OD2 2.9Å; R487-D534 IonicContact NH2-OD2 2.8Å; R487-D534 PolarHBondContact NH2-OD2 2.9Å |
| 488 | K | 64.8 | Low | 75.3 | Confident | 177 Ų | 177 | 78.6 Ų | 78.6 | 77% | 0.77 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 48.6 | 179 | -64.8 | 176.3 | -179.9 | 176.1 | 0 | 111.8 | L490 | K488-L490 PolarHBondContact O-N 2.93Å; K488-L490 VanDerWaalsContact O-N 3.15Å |
| 489 | S | 60 | Low | 75.4 | Confident | 99 Ų | 99 | 76 Ų | 76 | 69% | 0.692 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -2.9 | -177.7 | -61.7 | 0 | 0 | 0 | 0 | 118.2 | K486 R487 | K486-S489 WeakPolarHBondContact CE-O 3.46Å; R487-S489 PolarHBondContact O-N 2.85Å |
| 490 | L | 60.3 | Low | 75.1 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 63% | 0.634 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.2 | 177.3 | -68.2 | 169.1 | 0 | 0 | 0 | 111.7 | K486 R487 K488 Q492 | K486-L490 CarbonylContact C-O 3.6Å; K486-L490 VanDerWaalsContact CA-O 3.26Å; K486-L490 WeakPolarHBondContact CA-O 3.16Å; K486-L490 WeakPolarHBondContact CG-O 3.28Å; R487-L490 PolarHBondContact N-O 3.07Å; R487-L490 PolarHBondContact O-N 3.44Å; K488-L490 PolarHBondContact O-N 2.93Å; K488-L490 VanDerWaalsContact O-N 3.15Å; L490-Q492 PolarHBondContact O-N 3.35Å |
| 491 | W | 67.2 | Low | 74.5 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 47% | 0.47 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.2 | 172.3 | -71.7 | 109.9 | 0 | 0 | 0 | 110.3 | I468 H471 N484 W485 K486 G493 | I468-W491 HydrophobicContact CG2-CH2 3.94Å; H471-W491 HydrophobicContact CB-CH2 3.77Å; H471-W491 HydrophobicContact CB-CZ3 4.12Å; N484-W491 HydrophobicContact CB-CD2 4.47Å; N484-W491 HydrophobicContact CB-CE3 3.56Å; N484-W491 HydrophobicContact CB-CH2 4.43Å; N484-W491 HydrophobicContact CB-CZ3 3.55Å; W485-W491 CarbonylContact O-C 3.02Å; W485-W491 WeakPolarHBondContact O-CA 3.43Å; K486-W491 HydrophobicContact CB-CD2 4.14Å; K486-W491 HydrophobicContact CB-CE3 3.79Å; K486-W491 HydrophobicContact CB-CH2 4.43Å; K486-W491 HydrophobicContact CB-CZ3 3.94Å; K486-W491 HydrophobicContact CD-CZ2 4.39Å; K486-W491 HydrophobicContact CG-CD2 4.21Å; K486-W491 HydrophobicContact CG-CE3 4.37Å; W491-G493 PolarHBondContact O-N 2.74Å |
| 492 | Q | 64.8 | Low | 73.7 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 56.7 | -171.4 | -73.6 | -71.2 | -17 | 0 | 0 | 111.9 | W485 R487 L490 R533 | W485-Q492 HydrophobicContact CD2-CB 4.2Å; W485-Q492 HydrophobicContact CE3-CB 3.29Å; W485-Q492 HydrophobicContact CE3-CG 3.94Å; W485-Q492 HydrophobicContact CZ3-CB 3.55Å; W485-Q492 HydrophobicContact CZ3-CG 3.85Å; W485-Q492 PolarHBondContact O-N 3.36Å; R487-Q492 HydrophobicContact CB-CG 3.67Å; L490-Q492 PolarHBondContact O-N 3.35Å; Q492-R533 PolarHBondContact O-NH1 2.69Å |
| 493 | G | 63 | Low | 72.8 | Confident | 45 Ų | 45 | 80 Ų | 80 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | 144.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | W491 R533 | W491-G493 PolarHBondContact O-N 2.74Å; G493-R533 PolarHBondContact O-NH1 2.81Å |
| 494 | Q | 75.2 | Confident | 72.3 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.7 | 176.2 | -45.3 | -161.3 | -91.3 | 0 | 0 | 109.2 | V482 N484 Y496 | V482-Q494 HydrophobicContact CG1-CB 4.43Å; N484-Q494 PolarHBondContact ND2-NE2 2.91Å; N484-Q494 VanDerWaalsContact OD1-CB 3.26Å; N484-Q494 WeakPolarHBondContact OD1-CB 3.44Å; N484-Q494 WeakPolarHBondContact OD1-CG 3.41Å; N484-Q494 PolarHBondContact OD1-NE2 2.83Å; Q494-Y496 HydrophobicContact CB-CD2 4.49Å; Q494-Y496 HydrophobicContact CB-CE2 3.75Å; Q494-Y496 PolarHBondContact OE1-OH 3.41Å |
| 495 | R | 76 | Confident | 71.7 | Confident | 111 Ų | 111 | 85 Ų | 85 | 42% | 0.419 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.8 | 169.7 | -75.6 | -175.7 | 162.1 | -169.8 | -12.4 | 109.5 | V482 L483 F497 D531 | V482-R495 CarbonylContact C-O 3.52Å; V482-R495 WeakPolarHBondContact CA-O 3.33Å; L483-R495 HydrophobicContact CB-CB 4.46Å; L483-R495 PolarHBondContact N-O 3.16Å; L483-R495 PolarHBondContact O-N 2.89Å; R495-F497 HydrophobicContact CB-CE2 3.74Å; R495-F497 HydrophobicContact CB-CZ 4.07Å; R495-D531 IonicContact CZ-OD1 2.68Å; R495-D531 IonicContact NE-OD1 3.44Å; R495-D531 IonicContact NH1-OD1 2.73Å; R495-D531 PolarHBondContact NH1-OD1 2.85Å |
| 496 | Y | 80.1 | Confident | 71.4 | Confident | 133 Ų | 133 | 86.5 Ų | 86.5 | 52% | 0.522 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.8 | -178.7 | -67.6 | -96.2 | 0 | 0 | 0 | 109 | W481 V482 Q494 | W481-Y496 WeakPolarHBondContact O-CA 3.44Å; V482-Y496 HydrophobicContact CG1-CE1 4.15Å; V482-Y496 HydrophobicContact CG2-CD1 3.7Å; V482-Y496 HydrophobicContact CG2-CE1 3.65Å; Q494-Y496 HydrophobicContact CB-CD2 4.49Å; Q494-Y496 HydrophobicContact CB-CE2 3.75Å; Q494-Y496 PolarHBondContact OE1-OH 3.41Å |
| 497 | F | 81.5 | Confident | 71.7 | Confident | 55 Ų | 55 | 89 Ų | 89 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.5 | 176.9 | -52.7 | -93.3 | 0 | 0 | 0 | 109.4 | W481 L483 R495 M499 I529 | W481-F497 HydrophobicContact CB-CB 4.29Å; W481-F497 PolarHBondContact N-O 3.44Å; W481-F497 PolarHBondContact O-N 3.13Å; L483-F497 HydrophobicContact CB-CE2 4.17Å; L483-F497 HydrophobicContact CD2-CE2 4.16Å; R495-F497 HydrophobicContact CB-CE2 3.74Å; R495-F497 HydrophobicContact CB-CZ 4.07Å; F497-M499 PolarHBondContact O-N 3.12Å; F497-I529 HydrophobicContact CD1-CG2 4.19Å; F497-I529 HydrophobicContact CD2-CG2 3.73Å; F497-I529 HydrophobicContact CE1-CG2 4.02Å; F497-I529 HydrophobicContact CE2-CG2 3.55Å; F497-I529 HydrophobicContact CG-CG2 4.05Å; F497-I529 HydrophobicContact CZ-CG2 3.7Å |
| 498 | Q | 81.6 | Confident | 72.2 | Confident | 162 Ų | 162 | 88.5 Ų | 88.5 | 76% | 0.757 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 133.4 | 176.4 | -172.3 | 175.6 | 4 | 0 | 0 | 110.3 | Q527 | Q498-Q527 PolarHBondContact O-NE2 3.36Å |
| 499 | M | 84.5 | Confident | 72.9 | Confident | 14 Ų | 14 | 81.1 Ų | 81.1 | 7% | 0.069 | 43% | 0.432 | C | S | . | . | trans | -81.6 | 120 | 179.7 | -175.6 | -175.7 | -63.3 | 0 | 0 | 110.3 | Y476 K479 W481 F497 V501 | Y476-M499 HydrophobicContact CD1-CE 3.86Å; Y476-M499 HydrophobicContact CD1-SD 3.44Å; Y476-M499 WeakPolarHBondContact CD1-SD 3.13Å; Y476-M499 HydrophobicContact CE1-CE 3.74Å; Y476-M499 HydrophobicContact CE1-SD 3.48Å; Y476-M499 WeakPolarHBondContact CE1-SD 3.26Å; Y476-M499 HydrophobicContact CG-CE 4.36Å; Y476-M499 HydrophobicContact CG-SD 4.37Å; K479-M499 VanDerWaalsContact C-CB 3.45Å; K479-M499 HydrophobicContact CB-CB 4.32Å; K479-M499 WeakPolarHBondContact O-CB 3.35Å; K479-M499 PolarHBondContact O-N 3Å; W481-M499 HydrophobicContact CD2-CE 3.95Å; W481-M499 HydrophobicContact CE3-CE 4.12Å; W481-M499 HydrophobicContact CH2-CE 4.09Å; W481-M499 HydrophobicContact CZ2-CE 3.92Å; W481-M499 HydrophobicContact CZ2-CG 4.09Å; W481-M499 HydrophobicContact CZ2-SD 4.33Å; W481-M499 HydrophobicContact CZ3-CE 4.19Å; F497-M499 PolarHBondContact O-N 3.12Å; M499-V501 HydrophobicContact CG-CB 4.27Å; M499-V501 HydrophobicContact CG-CG2 4.49Å | ||
| 500 | S | 77.7 | Confident | 74 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 63% | 0.629 | 42% | 0.423 | S | S | * | . | trans | -109.4 | 6.2 | 174.5 | 55 | 0 | 0 | 0 | 0 | 113.4 | Q527 | S500-Q527 PolarHBondContact OG-OE1 3.29Š| ||
| 501 | V | 71.6 | Confident | 75.2 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 9% | 0.091 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -72.7 | 137.8 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | W481 M499 H503 F509 F524 Q527 | W481-V501 HydrophobicContact CZ2-CG2 3.93Å; M499-V501 HydrophobicContact CG-CB 4.27Å; M499-V501 HydrophobicContact CG-CG2 4.49Å; V501-H503 PolarHBondContact O-N 2.99Å; V501-F509 HydrophobicContact CG1-CD1 4.4Å; V501-F509 HydrophobicContact CG1-CE1 4.33Å; V501-F509 HydrophobicContact CG1-CE2 4.47Å; V501-F509 HydrophobicContact CG1-CG 4.5Å; V501-F509 HydrophobicContact CG1-CZ 4.37Å; V501-F524 HydrophobicContact CG2-CB 3.75Å; V501-F524 WeakPolarHBondContact CG2-O 3.38Å; V501-Q527 HydrophobicContact CG2-CB 4.02Å |
| 502 | D | 70.3 | Confident | 76 | Confident | 67 Ų | 67 | 70.6 Ų | 70.6 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | trans | -64.5 | 117.5 | 170.4 | -177.2 | -8.6 | 0 | 0 | 0 | 110.3 | T504 K507 | D502-T504 WeakPolarHBondContact OD1-CB 3.25Å; D502-T504 PolarHBondContact OD1-N 3.18Å; D502-T504 PolarHBondContact OD1-OG1 3.23Å; D502-K507 WeakPolarHBondContact OD2-CD 3.43Å; D502-K507 WeakPolarHBondContact OD2-CE 3.31Å; D502-K507 IonicContact OD2-NZ 2.67Å; D502-K507 PolarHBondContact OD2-NZ 3.05Å | ||
| 503 | H | 67.7 | Low | 76.8 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | trans | -96.1 | 14.7 | -175.8 | 51.7 | -78.4 | 0 | 0 | 0 | 113.2 | L451 Y476 V501 A505 | L451-H503 HydrophobicContact CD1-CB 4.17Å; Y476-H503 HydrophobicContact CD1-CB 3.94Å; V501-H503 PolarHBondContact O-N 2.99Å; H503-A505 PolarHBondContact O-N 3.28Å | ||
| 504 | T | 73.3 | Confident | 77.6 | Confident | 81 Ų | 81 | 65 Ų | 65 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | trans | -57.5 | 120.5 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | D502 K507 | D502-T504 WeakPolarHBondContact OD1-CB 3.25Å; D502-T504 PolarHBondContact OD1-N 3.18Å; D502-T504 PolarHBondContact OD1-OG1 3.23Å; T504-K507 HydrophobicContact CG2-CB 4.43Å; T504-K507 VanDerWaalsContact O-CB 3.28Å; T504-K507 WeakPolarHBondContact O-CB 3.32Å; T504-K507 PolarHBondContact O-N 3.48Å | ||
| 505 | A | 71.6 | Confident | 77.4 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 139.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P453 H503 K507 | P453-A505 HydrophobicContact CB-CB 4.36Å; P453-A505 HydrophobicContact CG-CB 4.43Å; H503-A505 PolarHBondContact O-N 3.28Å; A505-K507 PolarHBondContact O-N 2.81Å; A505-K507 VanDerWaalsContact O-N 3.13Å |
| 506 | G | 71.5 | Confident | 76.8 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | -12.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L451 T508 | L451-G506 PolarHBondContact O-N 2.9Å; G506-T508 PolarHBondContact O-N 3.1Å |
| 507 | K | 77.7 | Confident | 75.7 | Confident | 111 Ų | 111 | 53.5 Ų | 53.5 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | trans | -68.1 | 128.4 | 174.8 | -169.7 | 174.1 | 179 | 171.1 | 0 | 110 | S450 D502 T504 A505 | S450-K507 WeakPolarHBondContact CA-O 3.41Å; S450-K507 WeakPolarHBondContact CB-O 3.29Å; D502-K507 WeakPolarHBondContact OD2-CD 3.43Å; D502-K507 WeakPolarHBondContact OD2-CE 3.31Å; D502-K507 IonicContact OD2-NZ 2.67Å; D502-K507 PolarHBondContact OD2-NZ 3.05Å; T504-K507 HydrophobicContact CG2-CB 4.43Å; T504-K507 VanDerWaalsContact O-CB 3.28Å; T504-K507 WeakPolarHBondContact O-CB 3.32Å; T504-K507 PolarHBondContact O-N 3.48Å; A505-K507 PolarHBondContact O-N 2.81Å; A505-K507 VanDerWaalsContact O-N 3.13Å | ||
| 508 | T | 77 | Confident | 74.6 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 134.5 | -179.9 | 52.5 | 0 | 0 | 0 | 0 | 112 | T449 G506 Q552 | T449-T508 CarbonylContact O-C 3.56Å; T449-T508 VanDerWaalsContact O-CA 3.29Å; T449-T508 WeakPolarHBondContact O-CA 3.28Å; G506-T508 PolarHBondContact O-N 3.1Å; T508-Q552 VanDerWaalsContact CG2-NE2 3.32Å |
| 509 | F | 77.7 | Confident | 73.7 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.7 | 168.7 | 55.9 | -90.8 | 0 | 0 | 0 | 110.9 | T449 L451 V501 V511 F549 | T449-F509 HydrophobicContact CG2-CD2 3.96Å; T449-F509 HydrophobicContact CG2-CE2 3.54Å; T449-F509 HydrophobicContact CG2-CZ 3.87Å; T449-F509 PolarHBondContact N-O 3.06Å; T449-F509 PolarHBondContact O-N 3.03Å; L451-F509 HydrophobicContact CD1-CE1 4.09Å; L451-F509 HydrophobicContact CD1-CZ 4.43Å; L451-F509 HydrophobicContact CD2-CZ 4.43Å; L451-F509 HydrophobicContact CG-CE1 3.96Å; L451-F509 HydrophobicContact CG-CZ 4.23Å; V501-F509 HydrophobicContact CG1-CD1 4.4Å; V501-F509 HydrophobicContact CG1-CE1 4.33Å; V501-F509 HydrophobicContact CG1-CE2 4.47Å; V501-F509 HydrophobicContact CG1-CG 4.5Å; V501-F509 HydrophobicContact CG1-CZ 4.37Å; F509-V511 HydrophobicContact CD2-CG2 3.86Å; F509-V511 HydrophobicContact CE2-CG2 3.72Å; F509-F549 HydrophobicContact CE2-CE1 4.36Å; F509-F549 HydrophobicContact CZ-CE1 4.2Å |
| 510 | N | 84.8 | Confident | 73.1 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 146.8 | 173.6 | -64.6 | -16.5 | 0 | 0 | 0 | 109.7 | M447 G525 | M447-N510 CarbonylContact O-C 3.5Å; M447-N510 WeakPolarHBondContact O-CA 3.36Å; N510-G525 PolarHBondContact O-N 3.05Å |
| 511 | V | 85.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.7 | 167.3 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | M447 T449 I460 F509 V513 R523 F524 | M447-V511 HydrophobicContact CB-CB 4.21Å; M447-V511 HydrophobicContact CE-CB 4.07Å; M447-V511 HydrophobicContact CE-CG1 4.03Å; M447-V511 PolarHBondContact N-O 3.34Å; M447-V511 PolarHBondContact O-N 3.32Å; T449-V511 HydrophobicContact CG2-CG2 3.97Å; I460-V511 HydrophobicContact CD1-CG1 4.47Å; F509-V511 HydrophobicContact CD2-CG2 3.86Å; F509-V511 HydrophobicContact CE2-CG2 3.72Å; V511-V513 HydrophobicContact CG1-CG2 4.27Å; V511-R523 CarbonylContact C-O 3.55Å; V511-R523 WeakPolarHBondContact CA-O 3.13Å; V511-R523 WeakPolarHBondContact CG1-O 3.45Å; V511-F524 HydrophobicContact CB-CD1 4.2Å; V511-F524 HydrophobicContact CB-CE1 4.31Å; V511-F524 HydrophobicContact CG1-CD1 3.66Å; V511-F524 HydrophobicContact CG1-CE1 3.4Å; V511-F524 HydrophobicContact CG1-CE2 4.43Å; V511-F524 HydrophobicContact CG1-CG 4.25Å; V511-F524 HydrophobicContact CG1-CZ 3.8Å; V511-F524 HydrophobicContact CG2-CD1 3.47Å; V511-F524 VanDerWaalsContact CG2-CD1 3.47Å; V511-F524 HydrophobicContact CG2-CE1 3.88Å; V511-F524 HydrophobicContact CG2-CG 4.29Å |
| 512 | T | 83.3 | Confident | 73.7 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 17% | 0.172 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119.1 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | L445 F446 I514 A522 R523 | L445-T512 CarbonylContact O-C 3.54Å; L445-T512 WeakPolarHBondContact O-CA 3.44Å; F446-T512 HydrophobicContact CD1-CG2 3.66Å; F446-T512 WeakPolarHBondContact CD1-OG1 3.18Å; F446-T512 HydrophobicContact CE1-CG2 3.44Å; F446-T512 VanDerWaalsContact CE1-CG2 3.44Å; F446-T512 HydrophobicContact CZ-CG2 4.18Å; T512-I514 HydrophobicContact CG2-CG1 4.12Å; T512-A522 CarbonylContact O-C 3.56Å; T512-A522 WeakPolarHBondContact O-CA 3.26Å; T512-R523 PolarHBondContact N-O 2.87Å; T512-R523 PolarHBondContact O-N 3.36Å |
| 513 | V | 82.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.1 | 173 | -168.2 | 0 | 0 | 0 | 0 | 108.8 | L445 F462 V511 M515 V520 E521 A522 | L445-V513 HydrophobicContact CB-CB 4.28Å; L445-V513 PolarHBondContact N-O 3.26Å; L445-V513 PolarHBondContact O-N 2.98Å; F462-V513 HydrophobicContact CE1-CG1 4.46Å; F462-V513 HydrophobicContact CE2-CG1 4.41Å; F462-V513 HydrophobicContact CZ-CB 4.1Å; F462-V513 HydrophobicContact CZ-CG1 3.79Å; F462-V513 HydrophobicContact CZ-CG2 4.15Å; V511-V513 HydrophobicContact CG1-CG2 4.27Å; V513-M515 HydrophobicContact CG1-CG 4.05Å; V513-M515 HydrophobicContact CG1-SD 4.43Å; V513-V520 HydrophobicContact CG1-CG1 3.63Å; V513-E521 CarbonylContact C-O 3.58Å; V513-E521 WeakPolarHBondContact CA-O 3.2Å; V513-A522 HydrophobicContact CG1-CB 4.18Å; V513-A522 HydrophobicContact CG2-CB 3.99Å |
| 514 | I | 78.7 | Confident | 75 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.6 | 176.2 | -49.6 | 178.8 | 0 | 0 | 0 | 106.4 | F444 T512 V520 E521 | F444-I514 HydrophobicContact CD1-CB 4.4Å; F444-I514 HydrophobicContact CD1-CD1 4.4Å; F444-I514 HydrophobicContact CD1-CG1 3.82Å; F444-I514 HydrophobicContact CD1-CG2 4.23Å; F444-I514 HydrophobicContact CE1-CB 4.18Å; F444-I514 HydrophobicContact CE1-CD1 3.75Å; F444-I514 HydrophobicContact CE1-CG1 3.61Å; F444-I514 HydrophobicContact CE1-CG2 3.7Å; F444-I514 HydrophobicContact CE2-CG2 4.01Å; F444-I514 HydrophobicContact CZ-CD1 4.45Å; F444-I514 HydrophobicContact CZ-CG1 4.38Å; F444-I514 HydrophobicContact CZ-CG2 3.58Å; T512-I514 HydrophobicContact CG2-CG1 4.12Å; I514-V520 WeakPolarHBondContact O-CA 3.39Å; I514-E521 HydrophobicContact CB-CB 4.35Å; I514-E521 PolarHBondContact N-O 3.4Å; I514-E521 PolarHBondContact O-N 2.81Å |
| 515 | M | 71.8 | Confident | 75.2 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113 | 178.2 | -59.1 | 174.5 | -62.3 | 0 | 0 | 106.7 | F436 T442 Q443 F462 V513 V520 L540 | F436-M515 HydrophobicContact CE2-CE 3.71Å; F436-M515 HydrophobicContact CZ-CE 3.83Å; T442-M515 CarbonylContact C-O 3.57Å; T442-M515 VanDerWaalsContact CA-O 3.25Å; T442-M515 WeakPolarHBondContact CA-O 3.4Å; T442-M515 WeakPolarHBondContact CG2-O 3.49Å; Q443-M515 HydrophobicContact CB-CE 3.98Å; Q443-M515 PolarHBondContact N-O 3.48Å; Q443-M515 PolarHBondContact O-N 3.23Å; F462-M515 HydrophobicContact CD1-CE 3.94Å; F462-M515 HydrophobicContact CD1-SD 3.47Å; F462-M515 WeakPolarHBondContact CD1-SD 3.46Å; F462-M515 HydrophobicContact CE1-CE 3.84Å; F462-M515 HydrophobicContact CE1-SD 3.49Å; F462-M515 WeakPolarHBondContact CE1-SD 3.31Å; F462-M515 HydrophobicContact CG-SD 4.1Å; F462-M515 HydrophobicContact CZ-SD 4.14Å; V513-M515 HydrophobicContact CG1-CG 4.05Å; V513-M515 HydrophobicContact CG1-SD 4.43Å; M515-V520 HydrophobicContact CB-CG2 4.33Å; M515-V520 HydrophobicContact CG-CB 4.45Å; M515-V520 HydrophobicContact CG-CG1 3.9Å; M515-V520 HydrophobicContact CG-CG2 3.94Å; M515-L540 HydrophobicContact CB-CD1 4.3Å; M515-L540 HydrophobicContact CE-CD1 3.65Å; M515-L540 HydrophobicContact CG-CD1 4.43Å; M515-L540 HydrophobicContact SD-CD1 3.4Å; M515-L540 WeakPolarHBondContact SD-CD1 3.44Å |
| 516 | N | 62.8 | Low | 75.3 | Confident | 60 Ų | 60 | 46 Ų | 46 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.5 | -177 | -164.8 | -13.8 | 0 | 0 | 0 | 108.7 | T442 G518 Y519 L535 | T442-N516 HydrophobicContact CG2-CB 3.91Å; T442-N516 PolarHBondContact OG1-OD1 2.91Å; N516-G518 PolarHBondContact O-N 2.97Å; N516-Y519 HydrophobicContact CB-CD1 4.47Å; N516-Y519 HydrophobicContact CB-CE1 4.13Å; N516-Y519 PolarHBondContact N-O 3.47Å; N516-Y519 PolarHBondContact O-N 2.93Å; N516-L535 WeakPolarHBondContact O-CD1 3.18Å |
| 517 | G | 56.3 | Low | 75.8 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -31.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | A441 | A441-G517 PolarHBondContact O-N 2.9Š|
| 518 | G | 58.5 | Low | 76 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -4.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | N516 | N516-G518 PolarHBondContact O-N 2.97Š|
| 519 | Y | 64 | Low | 76.1 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 28% | 0.275 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 162.1 | -178.4 | 72 | -83.7 | 0 | 0 | 0 | 114.9 | N516 E521 Y530 F532 | N516-Y519 HydrophobicContact CB-CD1 4.47Å; N516-Y519 HydrophobicContact CB-CE1 4.13Å; N516-Y519 PolarHBondContact N-O 3.47Å; N516-Y519 PolarHBondContact O-N 2.93Å; Y519-E521 HydrophobicContact CD2-CB 4.14Å; Y519-E521 HydrophobicContact CE2-CB 3.86Å; Y519-Y530 HydrophobicContact CD2-CD1 4.44Å; Y519-F532 HydrophobicContact CG-CD1 4.11Å; Y519-F532 HydrophobicContact CG-CE1 4.23Å |
| 520 | V | 71.6 | Confident | 76 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134 | 164.4 | -179 | 0 | 0 | 0 | 0 | 109.9 | W470 V513 I514 M515 D531 L535 | W470-V520 HydrophobicContact CD2-CG2 4.16Å; W470-V520 HydrophobicContact CE3-CB 4.12Å; W470-V520 HydrophobicContact CE3-CG1 4.27Å; W470-V520 HydrophobicContact CE3-CG2 3.99Å; W470-V520 HydrophobicContact CH2-CB 3.47Å; W470-V520 VanDerWaalsContact CH2-CB 3.47Å; W470-V520 HydrophobicContact CH2-CG1 4.43Å; W470-V520 HydrophobicContact CH2-CG2 3.42Å; W470-V520 VanDerWaalsContact CH2-CG2 3.42Å; W470-V520 HydrophobicContact CZ2-CB 4.15Å; W470-V520 HydrophobicContact CZ2-CG2 3.56Å; W470-V520 HydrophobicContact CZ3-CB 3.43Å; W470-V520 VanDerWaalsContact CZ3-CB 3.43Å; W470-V520 HydrophobicContact CZ3-CG1 3.9Å; W470-V520 HydrophobicContact CZ3-CG2 3.64Å; V513-V520 HydrophobicContact CG1-CG1 3.63Å; I514-V520 WeakPolarHBondContact O-CA 3.39Å; M515-V520 HydrophobicContact CB-CG2 4.33Å; M515-V520 HydrophobicContact CG-CB 4.45Å; M515-V520 HydrophobicContact CG-CG1 3.9Å; M515-V520 HydrophobicContact CG-CG2 3.94Å; V520-D531 PolarHBondContact N-O 2.85Å; V520-D531 PolarHBondContact O-N 2.89Å; V520-L535 HydrophobicContact CG2-CD2 4.16Å |
| 521 | E | 79.2 | Confident | 75.5 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125 | 171.7 | 174.4 | -179.3 | 176 | 0 | 0 | 109 | V513 I514 Y519 R523 T528 I529 Y530 | V513-E521 CarbonylContact C-O 3.58Å; V513-E521 WeakPolarHBondContact CA-O 3.2Å; I514-E521 HydrophobicContact CB-CB 4.35Å; I514-E521 PolarHBondContact N-O 3.4Å; I514-E521 PolarHBondContact O-N 2.81Å; Y519-E521 HydrophobicContact CD2-CB 4.14Å; Y519-E521 HydrophobicContact CE2-CB 3.86Å; E521-R523 HydrophobicContact CG-CG 4.47Å; E521-R523 IonicContact OE1-CZ 2.72Å; E521-R523 IonicContact OE1-NE 2.67Å; E521-R523 PolarHBondContact OE1-NE 2.82Å; E521-R523 IonicContact OE1-NH2 3.4Å; E521-R523 PolarHBondContact OE1-NH2 3.5Å; E521-R523 IonicContact OE2-NH2 3.33Å; E521-T528 HydrophobicContact CG-CG2 3.62Å; E521-T528 WeakPolarHBondContact OE1-CG2 3.18Å; E521-I529 CarbonylContact C-O 3.59Å; E521-I529 WeakPolarHBondContact CA-O 3.41Å; E521-Y530 HydrophobicContact CB-CD1 3.79Å; E521-Y530 HydrophobicContact CB-CE1 3.74Å; E521-Y530 HydrophobicContact CG-CD1 3.85Å; E521-Y530 HydrophobicContact CG-CE1 3.44Å; E521-Y530 VanDerWaalsContact CG-CE1 3.44Å; E521-Y530 PolarHBondContact OE1-OH 3.18Å; E521-Y530 VanDerWaalsContact OE2-CE1 3.26Å; E521-Y530 WeakPolarHBondContact OE2-CE1 3.3Å |
| 522 | A | 82.8 | Confident | 74.4 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 109.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T512 V513 F524 I529 | T512-A522 CarbonylContact O-C 3.56Å; T512-A522 WeakPolarHBondContact O-CA 3.26Å; V513-A522 HydrophobicContact CG1-CB 4.18Å; V513-A522 HydrophobicContact CG2-CB 3.99Å; A522-F524 HydrophobicContact CB-CD2 4.44Å; A522-F524 HydrophobicContact CB-CE2 3.62Å; A522-F524 HydrophobicContact CB-CZ 4.34Å; A522-I529 PolarHBondContact N-O 2.9Å; A522-I529 PolarHBondContact O-N 3Å |
| 523 | R | 83.1 | Confident | 73.7 | Confident | 110 Ų | 110 | 42.9 Ų | 42.9 | 42% | 0.415 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.2 | 174.7 | -56.4 | -170.6 | -178.2 | -178.9 | 2.8 | 110.2 | V511 T512 E521 Q527 T528 | V511-R523 CarbonylContact C-O 3.55Å; V511-R523 WeakPolarHBondContact CA-O 3.13Å; V511-R523 WeakPolarHBondContact CG1-O 3.45Å; T512-R523 PolarHBondContact N-O 2.87Å; T512-R523 PolarHBondContact O-N 3.36Å; E521-R523 HydrophobicContact CG-CG 4.47Å; E521-R523 IonicContact OE1-CZ 2.72Å; E521-R523 IonicContact OE1-NE 2.67Å; E521-R523 PolarHBondContact OE1-NE 2.82Å; E521-R523 IonicContact OE1-NH2 3.4Å; E521-R523 PolarHBondContact OE1-NH2 3.5Å; E521-R523 IonicContact OE2-NH2 3.33Å; R523-Q527 CarbonylContact C-O 3.47Å; R523-Q527 VanDerWaalsContact CA-O 3.31Å; R523-Q527 WeakPolarHBondContact CA-O 3.37Å; R523-T528 HydrophobicContact CG-CG2 3.97Å |
| 524 | F | 81.9 | Confident | 72.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 99.4 | 174.4 | -64.8 | -96.4 | 0 | 0 | 0 | 108.8 | I460 F472 W481 V501 V511 A522 N526 Q527 I529 | I460-F524 HydrophobicContact CD1-CE1 3.96Å; I460-F524 HydrophobicContact CD1-CZ 3.99Å; F472-F524 HydrophobicContact CD1-CE1 4.45Å; F472-F524 HydrophobicContact CD1-CE2 4.29Å; F472-F524 AromaticContact CD1-CZ 3.68Å; F472-F524 HydrophobicContact CD1-CZ 3.68Å; F472-F524 HydrophobicContact CE1-CD2 4.41Å; F472-F524 AromaticContact CE1-CE1 3.77Å; F472-F524 HydrophobicContact CE1-CE1 3.77Å; F472-F524 AromaticContact CE1-CE2 3.42Å; F472-F524 HydrophobicContact CE1-CE2 3.42Å; F472-F524 VanDerWaalsContact CE1-CE2 3.42Å; F472-F524 AromaticContact CE1-CZ 3.05Å; F472-F524 HydrophobicContact CE1-CZ 3.05Å; F472-F524 HydrophobicContact CE2-CE2 4.1Å; F472-F524 HydrophobicContact CE2-CZ 4.44Å; F472-F524 HydrophobicContact CZ-CD2 4.16Å; F472-F524 HydrophobicContact CZ-CE1 4.45Å; F472-F524 AromaticContact CZ-CE2 3.3Å; F472-F524 HydrophobicContact CZ-CE2 3.3Å; F472-F524 AromaticContact CZ-CZ 3.52Å; F472-F524 HydrophobicContact CZ-CZ 3.52Å; W481-F524 AromaticContact CH2-CD1 3.82Å; W481-F524 HydrophobicContact CH2-CD1 3.82Å; W481-F524 HydrophobicContact CH2-CE1 4.09Å; W481-F524 HydrophobicContact CH2-CG 4.28Å; W481-F524 HydrophobicContact CZ2-CB 4.25Å; W481-F524 HydrophobicContact CZ2-CD1 4.02Å; W481-F524 HydrophobicContact CZ2-CG 4.02Å; W481-F524 HydrophobicContact CZ3-CE1 4.36Å; V501-F524 HydrophobicContact CG2-CB 3.75Å; V501-F524 WeakPolarHBondContact CG2-O 3.38Å; V511-F524 HydrophobicContact CB-CD1 4.2Å; V511-F524 HydrophobicContact CB-CE1 4.31Å; V511-F524 HydrophobicContact CG1-CD1 3.66Å; V511-F524 HydrophobicContact CG1-CE1 3.4Å; V511-F524 HydrophobicContact CG1-CE2 4.43Å; V511-F524 HydrophobicContact CG1-CG 4.25Å; V511-F524 HydrophobicContact CG1-CZ 3.8Å; V511-F524 HydrophobicContact CG2-CD1 3.47Å; V511-F524 VanDerWaalsContact CG2-CD1 3.47Å; V511-F524 HydrophobicContact CG2-CE1 3.88Å; V511-F524 HydrophobicContact CG2-CG 4.29Å; A522-F524 HydrophobicContact CB-CD2 4.44Å; A522-F524 HydrophobicContact CB-CE2 3.62Å; A522-F524 HydrophobicContact CB-CZ 4.34Å; F524-N526 PolarHBondContact O-N 3.17Å; F524-N526 VanDerWaalsContact O-N 3.1Å; F524-Q527 PolarHBondContact N-O 3.48Å; F524-Q527 PolarHBondContact O-N 3.47Å; F524-I529 HydrophobicContact CD2-CD1 4.35Å; F524-I529 HydrophobicContact CE2-CD1 4.46Å |
| 525 | G | 78.5 | Confident | 71.6 | Confident | 34 Ų | 34 | 47 Ų | 47 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -114.7 | -167 | 0 | 0 | 0 | 0 | 0 | 110.4 | N510 | N510-G525 PolarHBondContact O-N 3.05Š|
| 526 | N | 72.9 | Confident | 71 | Confident | 175 Ų | 175 | 48.1 Ų | 48.1 | 94% | 0.936 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -1.6 | 179.7 | -61.3 | 13.8 | 0 | 0 | 0 | 113.4 | F524 | F524-N526 PolarHBondContact O-N 3.17Å; F524-N526 VanDerWaalsContact O-N 3.1Å |
| 527 | Q | 81.9 | Confident | 70.7 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124 | 177.7 | 179.1 | 168.3 | 22.5 | 0 | 0 | 110.8 | Q498 S500 V501 R523 F524 I529 | Q498-Q527 PolarHBondContact O-NE2 3.36Å; S500-Q527 PolarHBondContact OG-OE1 3.29Å; V501-Q527 HydrophobicContact CG2-CB 4.02Å; R523-Q527 CarbonylContact C-O 3.47Å; R523-Q527 VanDerWaalsContact CA-O 3.31Å; R523-Q527 WeakPolarHBondContact CA-O 3.37Å; F524-Q527 PolarHBondContact N-O 3.48Å; F524-Q527 PolarHBondContact O-N 3.47Å; Q527-I529 HydrophobicContact CG-CG1 4.34Å |
| 528 | T | 81.9 | Confident | 71 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.5 | 170.9 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | E521 R523 Y530 | E521-T528 HydrophobicContact CG-CG2 3.62Å; E521-T528 WeakPolarHBondContact OE1-CG2 3.18Å; R523-T528 HydrophobicContact CG-CG2 3.97Å; T528-Y530 HydrophobicContact CG2-CD2 3.96Å; T528-Y530 HydrophobicContact CG2-CE1 4.33Å; T528-Y530 HydrophobicContact CG2-CE2 3.4Å; T528-Y530 VanDerWaalsContact CG2-CE2 3.4Å |
| 529 | I | 79.4 | Confident | 71.3 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.4 | 175.8 | -62.3 | 166.3 | 0 | 0 | 0 | 108 | F472 W481 F497 E521 A522 F524 Q527 | F472-I529 HydrophobicContact CE2-CD1 3.81Å; F472-I529 HydrophobicContact CE2-CG2 4.45Å; F472-I529 HydrophobicContact CZ-CD1 3.68Å; W481-I529 HydrophobicContact CB-CD1 4.05Å; W481-I529 HydrophobicContact CD2-CD1 4.38Å; W481-I529 HydrophobicContact CG-CD1 3.73Å; F497-I529 HydrophobicContact CD1-CG2 4.19Å; F497-I529 HydrophobicContact CD2-CG2 3.73Å; F497-I529 HydrophobicContact CE1-CG2 4.02Å; F497-I529 HydrophobicContact CE2-CG2 3.55Å; F497-I529 HydrophobicContact CG-CG2 4.05Å; F497-I529 HydrophobicContact CZ-CG2 3.7Å; E521-I529 CarbonylContact C-O 3.59Å; E521-I529 WeakPolarHBondContact CA-O 3.41Å; A522-I529 PolarHBondContact N-O 2.9Å; A522-I529 PolarHBondContact O-N 3Å; F524-I529 HydrophobicContact CD2-CD1 4.35Å; F524-I529 HydrophobicContact CE2-CD1 4.46Å; Q527-I529 HydrophobicContact CG-CG1 4.34Å |
| 530 | Y | 75.8 | Confident | 71.7 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.2 | 177.3 | -67.2 | -85.2 | 0 | 0 | 0 | 111.2 | Y519 E521 T528 F532 | Y519-Y530 HydrophobicContact CD2-CD1 4.44Å; E521-Y530 HydrophobicContact CB-CD1 3.79Å; E521-Y530 HydrophobicContact CB-CE1 3.74Å; E521-Y530 HydrophobicContact CG-CD1 3.85Å; E521-Y530 HydrophobicContact CG-CE1 3.44Å; E521-Y530 VanDerWaalsContact CG-CE1 3.44Å; E521-Y530 PolarHBondContact OE1-OH 3.18Å; E521-Y530 VanDerWaalsContact OE2-CE1 3.26Å; E521-Y530 WeakPolarHBondContact OE2-CE1 3.3Å; T528-Y530 HydrophobicContact CG2-CD2 3.96Å; T528-Y530 HydrophobicContact CG2-CE1 4.33Å; T528-Y530 HydrophobicContact CG2-CE2 3.4Å; T528-Y530 VanDerWaalsContact CG2-CE2 3.4Å; Y530-F532 HydrophobicContact CD1-CE1 4.45Å; Y530-F532 AromaticContact CD1-CZ 3.94Å; Y530-F532 HydrophobicContact CD1-CZ 3.94Å; Y530-F532 HydrophobicContact CG-CE2 4.27Å; Y530-F532 AromaticContact CG-CZ 3.97Å; Y530-F532 HydrophobicContact CG-CZ 3.97Å |
| 531 | D | 73.6 | Confident | 71.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 109.9 | 169.1 | -173.6 | 30.9 | 0 | 0 | 0 | 111.1 | W470 L483 R495 V520 R533 | W470-D531 HydrophobicContact CH2-CB 3.57Å; W470-D531 WeakPolarHBondContact CH2-OD2 3.38Å; W470-D531 HydrophobicContact CZ3-CB 3.82Å; L483-D531 HydrophobicContact CD2-CB 3.57Å; L483-D531 WeakPolarHBondContact CD2-OD2 3.41Å; R495-D531 IonicContact CZ-OD1 2.68Å; R495-D531 IonicContact NE-OD1 3.44Å; R495-D531 IonicContact NH1-OD1 2.73Å; R495-D531 PolarHBondContact NH1-OD1 2.85Å; V520-D531 PolarHBondContact N-O 2.85Å; V520-D531 PolarHBondContact O-N 2.89Å; D531-R533 VanDerWaalsContact C-N 3.3Å; D531-R533 VanDerWaalsContact CG-NE 3.34Å; D531-R533 PolarHBondContact O-N 2.91Å; D531-R533 WeakPolarHBondContact OD1-CG 3.41Å; D531-R533 IonicContact OD1-CZ 3.54Å; D531-R533 IonicContact OD1-NE 3.49Å; D531-R533 PolarHBondContact OD1-NE 2.78Å; D531-R533 VanDerWaalsContact OD1-NE 3.07Å; D531-R533 IonicContact OD1-NH2 2.73Å; D531-R533 IonicContact OD2-CZ 3.17Å; D531-R533 IonicContact OD2-NE 2.8Å; D531-R533 PolarHBondContact OD2-NE 2.81Å; D531-R533 IonicContact OD2-NH2 2.69Å; D531-R533 PolarHBondContact OD2-NH2 2.72Å |
| 532 | F | 63.1 | Low | 71.8 | Confident | 130 Ų | 130 | 54 Ų | 54 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | trans | -93.2 | 42.3 | -173.2 | -52 | -90.5 | 0 | 0 | 0 | 111.9 | Y519 Y530 | Y519-F532 HydrophobicContact CG-CD1 4.11Å; Y519-F532 HydrophobicContact CG-CE1 4.23Å; Y530-F532 HydrophobicContact CD1-CE1 4.45Å; Y530-F532 AromaticContact CD1-CZ 3.94Å; Y530-F532 HydrophobicContact CD1-CZ 3.94Å; Y530-F532 HydrophobicContact CG-CE2 4.27Å; Y530-F532 AromaticContact CG-CZ 3.97Å; Y530-F532 HydrophobicContact CG-CZ 3.97Å | ||
| 533 | R | 67.1 | Low | 71.9 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | trans | -97.2 | 129.2 | 177.7 | -70.2 | -175.7 | -66.6 | -179.8 | -5.7 | 108.7 | W485 Q492 G493 D531 L535 | W485-R533 HydrophobicContact CD2-CB 4.07Å; W485-R533 HydrophobicContact CE3-CB 3.81Å; W485-R533 HydrophobicContact CE3-CG 4.16Å; W485-R533 HydrophobicContact CH2-CB 4.1Å; W485-R533 HydrophobicContact CZ2-CB 4.39Å; W485-R533 HydrophobicContact CZ3-CB 3.84Å; W485-R533 HydrophobicContact CZ3-CG 4.15Å; Q492-R533 PolarHBondContact O-NH1 2.69Å; G493-R533 PolarHBondContact O-NH1 2.81Å; D531-R533 VanDerWaalsContact C-N 3.3Å; D531-R533 VanDerWaalsContact CG-NE 3.34Å; D531-R533 PolarHBondContact O-N 2.91Å; D531-R533 WeakPolarHBondContact OD1-CG 3.41Å; D531-R533 IonicContact OD1-CZ 3.54Å; D531-R533 IonicContact OD1-NE 3.49Å; D531-R533 PolarHBondContact OD1-NE 2.78Å; D531-R533 VanDerWaalsContact OD1-NE 3.07Å; D531-R533 IonicContact OD1-NH2 2.73Å; D531-R533 IonicContact OD2-CZ 3.17Å; D531-R533 IonicContact OD2-NE 2.8Å; D531-R533 PolarHBondContact OD2-NE 2.81Å; D531-R533 IonicContact OD2-NH2 2.69Å; D531-R533 PolarHBondContact OD2-NH2 2.72Å; R533-L535 PolarHBondContact O-N 2.72Å | ||
| 534 | D | 60.2 | Low | 72.1 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | trans | -38.6 | 125.9 | -175.6 | -51.7 | -9.4 | 0 | 0 | 0 | 112.4 | W485 R487 | W485-D534 HydrophobicContact CZ2-CB 4.43Å; W485-D534 WeakPolarHBondContact CZ2-O 3.36Å; W485-D534 PolarHBondContact NE1-O 3Å; R487-D534 IonicContact CZ-OD2 3.47Å; R487-D534 IonicContact NH1-OD2 3.78Å; R487-D534 PolarHBondContact NH1-OD2 2.9Å; R487-D534 IonicContact NH2-OD2 2.8Å; R487-D534 PolarHBondContact NH2-OD2 2.9Å | ||
| 535 | L | 58.1 | Low | 72.4 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | trans | -60.6 | 149.5 | 169.1 | -79.2 | 176.9 | 0 | 0 | 0 | 109.7 | N516 V520 R533 | N516-L535 WeakPolarHBondContact O-CD1 3.18Å; V520-L535 HydrophobicContact CG2-CD2 4.16Å; R533-L535 PolarHBondContact O-N 2.72Å | ||
| 536 | P | 57.8 | Low | 72.6 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 20% | 0.195 | 26% | 0.261 | C | S | . | . | trans | -57.5 | 145.6 | 170.7 | 25.9 | -34.4 | 0 | 0 | 0 | 110.4 | V464 V469 K538 | V464-P536 HydrophobicContact CG2-CB 4.25Å; V464-P536 HydrophobicContact CG2-CG 3.58Å; V469-P536 HydrophobicContact CB-CG 4.36Å; V469-P536 HydrophobicContact CG1-CB 4.45Å; V469-P536 HydrophobicContact CG1-CG 4.16Å; V469-P536 HydrophobicContact CG2-CG 4.32Å; P536-K538 PolarHBondContact O-N 3.33Å | ||
| 537 | D | 56.6 | Low | 73.2 | Confident | 147 Ų | 147 | 43.7 Ų | 43.7 | 79% | 0.786 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -62.6 | 2.8 | -179.3 | -27.2 | -60.7 | 0 | 0 | 0 | 114.1 | ||
| 538 | K | 63.8 | Low | 73.4 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -124.8 | 141 | 178.4 | -74.8 | -171.5 | -178.5 | -173.1 | 0 | 109.6 | K238 D239 V464 P536 | K238-K538 PolarHBondContact O-NZ 3.21Å; K238-K538 VanDerWaalsContact O-NZ 3.17Å; D239-K538 PolarHBondContact O-NZ 2.72Å; V464-K538 HydrophobicContact CG1-CB 3.5Å; V464-K538 VanDerWaalsContact CG1-CB 3.5Å; V464-K538 HydrophobicContact CG1-CD 4.07Å; V464-K538 HydrophobicContact CG1-CG 4.45Å; P536-K538 PolarHBondContact O-N 3.33Å |
| 539 | P | 65.2 | Low | 73.4 | Confident | 67 Ų | 67 | 41.7 Ų | 41.7 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | trans | -62.7 | 151 | 179.4 | 29.7 | -38.8 | 0 | 0 | 0 | 112.2 | P439 | P439-P539 HydrophobicContact CB-CB 3.35Å; P439-P539 HydrophobicContact CB-CG 3.36Å | ||
| 540 | L | 72.3 | Confident | 73.3 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | trans | -69.9 | 134.6 | 174.6 | -60.6 | 163.3 | 0 | 0 | 0 | 110.5 | F436 F462 Y463 V464 V469 M515 | F436-L540 HydrophobicContact CD2-CB 3.59Å; F436-L540 HydrophobicContact CE2-CB 3.76Å; F436-L540 HydrophobicContact CE2-CD1 4.25Å; F462-L540 HydrophobicContact CB-CD2 4.24Å; Y463-L540 CarbonylContact O-C 3.58Å; Y463-L540 WeakPolarHBondContact O-CA 3.17Å; V464-L540 HydrophobicContact CG2-CD2 3.84Å; V469-L540 HydrophobicContact CG2-CD2 3.49Å; V469-L540 VanDerWaalsContact CG2-CD2 3.49Å; M515-L540 HydrophobicContact CB-CD1 4.3Å; M515-L540 HydrophobicContact CE-CD1 3.65Å; M515-L540 HydrophobicContact CG-CD1 4.43Å; M515-L540 HydrophobicContact SD-CD1 3.4Å; M515-L540 WeakPolarHBondContact SD-CD1 3.44Å | ||
| 541 | T | 72.2 | Confident | 73.5 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | trans | -95.6 | -18.3 | 179.4 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | D236 F436 Y463 G465 | D236-T541 PolarHBondContact OD2-OG1 2.67Å; F436-T541 PolarHBondContact N-O 2.59Å; Y463-T541 PolarHBondContact O-N 2.66Å; G465-T541 PolarHBondContact N-OG1 3.06Å; G465-T541 PolarHBondContact O-OG1 3.08Å | ||
| 542 | G | 79.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -176.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L434 Y463 | L434-G542 CarbonylContact O-C 3.51Å; L434-G542 WeakPolarHBondContact O-CA 3.46Å; Y463-G542 PolarHBondContact N-O 3.24Å |
| 543 | A | 85.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W433 L434 F436 L445 D461 F462 | W433-A543 VanDerWaalsContact CE3-C 3.46Å; L434-A543 HydrophobicContact CB-CB 4.33Å; L434-A543 WeakPolarHBondContact CB-O 3.22Å; L434-A543 HydrophobicContact CD1-CB 4.5Å; L434-A543 PolarHBondContact N-O 2.82Å; L434-A543 PolarHBondContact O-N 2.85Å; F436-A543 HydrophobicContact CE1-CB 4.07Å; F436-A543 HydrophobicContact CZ-CB 3.7Å; L445-A543 HydrophobicContact CD2-CB 4.21Å; D461-A543 CarbonylContact O-C 3.58Å; D461-A543 WeakPolarHBondContact O-CA 3.34Å; F462-A543 HydrophobicContact CD1-CB 3.7Å; F462-A543 HydrophobicContact CE1-CB 3.86Å; F462-A543 HydrophobicContact CG-CB 4.46Å |
| 544 | L | 86.1 | Confident | 74.5 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.9 | 175.1 | -169.7 | 71.5 | 0 | 0 | 0 | 110.2 | P431 W433 I460 D461 Y463 | P431-L544 HydrophobicContact CB-CD1 4.19Å; W433-L544 HydrophobicContact CB-CD1 4.18Å; W433-L544 HydrophobicContact CE3-CB 3.83Å; W433-L544 HydrophobicContact CE3-CD1 3.94Å; W433-L544 HydrophobicContact CZ3-CB 4.05Å; I460-L544 WeakPolarHBondContact CA-O 3.39Å; D461-L544 HydrophobicContact CB-CB 4.32Å; D461-L544 PolarHBondContact N-O 3.01Å; D461-L544 PolarHBondContact O-N 2.62Å; Y463-L544 HydrophobicContact CE2-CB 3.88Å |
| 545 | I | 87.7 | Confident | 75 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.4 | 177.1 | -54.6 | 169.6 | 0 | 0 | 0 | 108.9 | L430 P431 F432 L434 M447 F549 L551 A554 | L430-I545 HydrophobicContact CD2-CB 4.45Å; L430-I545 HydrophobicContact CD2-CG2 4.09Å; P431-I545 WeakPolarHBondContact CA-O 3.48Å; F432-I545 PolarHBondContact N-O 3.23Å; F432-I545 PolarHBondContact O-N 3.15Å; L434-I545 HydrophobicContact CD1-CD1 3.78Å; L434-I545 HydrophobicContact CD1-CG1 4.43Å; L434-I545 HydrophobicContact CD2-CD1 4.29Å; M447-I545 HydrophobicContact CE-CD1 3.96Å; M447-I545 HydrophobicContact CE-CG1 4.37Å; M447-I545 HydrophobicContact CG-CD1 3.91Å; M447-I545 HydrophobicContact SD-CD1 3.65Å; M447-I545 HydrophobicContact SD-CG1 4.39Å; I545-F549 HydrophobicContact CG2-CD2 3.73Å; I545-F549 HydrophobicContact CG2-CE2 4.18Å; I545-L551 HydrophobicContact CD1-CD1 4.33Å; I545-L551 HydrophobicContact CD1-CD2 3.88Å; I545-L551 HydrophobicContact CG2-CD2 4.47Å; I545-A554 HydrophobicContact CD1-CB 4.44Å |
| 546 | H | 84.2 | Confident | 75.4 | Confident | 47 Ų | 47 | 37 Ų | 37 | 22% | 0.218 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | -178.9 | 178.9 | 61 | 114.7 | 0 | 0 | 0 | 114.3 | P431 I459 D461 | P431-H546 HydrophobicContact CB-CB 3.93Å; I459-H546 VanDerWaalsContact CD1-CE1 3.47Å; I459-H546 WeakPolarHBondContact CD1-CE1 3.2Å; I459-H546 VanDerWaalsContact CG2-NE2 3.28Å; I459-H546 WeakPolarHBondContact CG2-NE2 3.15Å; I459-H546 PolarHBondContact N-O 2.97Å; I459-H546 PolarHBondContact O-N 3.39Å; D461-H546 IonicContact OD2-CD2 2.75Å; D461-H546 IonicContact OD2-CE1 2.64Å; D461-H546 IonicContact OD2-NE2 3.24Å; D461-H546 PolarHBondContact OD2-NE2 3.05Å |
| 547 | G | 84.5 | Confident | 75.5 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 25% | 0.247 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | -141.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | K452 S457 F549 | K452-G547 PolarHBondContact NZ-O 2.8Å; S457-G547 CarbonylContact O-C 3.6Å; S457-G547 WeakPolarHBondContact O-CA 3.26Å; G547-F549 PolarHBondContact O-N 2.84Å |
| 548 | D | 86.2 | Confident | 75.2 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -94.4 | 22.1 | -168.1 | -63.4 | -42 | 0 | 0 | 0 | 116.6 | K452 P455 Y456 S457 T458 | K452-D548 HydrophobicContact CD-CB 4.16Å; K452-D548 WeakPolarHBondContact CG-O 3.28Å; K452-D548 PolarHBondContact N-O 3Å; K452-D548 IonicContact NZ-OD1 2.75Å; K452-D548 PolarHBondContact NZ-OD1 3.42Å; P455-D548 HydrophobicContact CB-CB 3.78Å; Y456-D548 PolarHBondContact N-OD2 2.87Å; S457-D548 PolarHBondContact N-OD2 3.04Å; S457-D548 VanDerWaalsContact N-OD2 3.13Å; S457-D548 PolarHBondContact O-N 2.83Å; T458-D548 HydrophobicContact CG2-CB 4.39Å |
| 549 | F | 81.8 | Confident | 74.2 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 155.3 | 166.2 | -74 | -51.5 | 0 | 0 | 0 | 111.7 | L430 T449 S450 L451 T458 I460 F509 I545 G547 | L430-F549 HydrophobicContact CD1-CB 3.65Å; L430-F549 WeakPolarHBondContact CD1-O 3.3Å; T449-F549 HydrophobicContact CG2-CD1 3.73Å; T449-F549 HydrophobicContact CG2-CE1 3.75Å; T449-F549 VanDerWaalsContact OG1-CD1 3.25Å; T449-F549 WeakPolarHBondContact OG1-CD1 3.42Å; S450-F549 CarbonylContact O-C 3.57Å; S450-F549 WeakPolarHBondContact O-CA 3.24Å; L451-F549 HydrophobicContact CD2-CD1 4.16Å; L451-F549 HydrophobicContact CD2-CE1 4.48Å; T458-F549 HydrophobicContact CG2-CB 4.35Å; T458-F549 HydrophobicContact CG2-CD1 3.61Å; T458-F549 HydrophobicContact CG2-CD2 3.77Å; T458-F549 HydrophobicContact CG2-CE1 3.76Å; T458-F549 HydrophobicContact CG2-CE2 3.94Å; T458-F549 HydrophobicContact CG2-CG 3.61Å; T458-F549 HydrophobicContact CG2-CZ 3.93Å; I460-F549 HydrophobicContact CD1-CE2 4.42Å; I460-F549 HydrophobicContact CG1-CE2 4.12Å; F509-F549 HydrophobicContact CE2-CE1 4.36Å; F509-F549 HydrophobicContact CZ-CE1 4.2Å; I545-F549 HydrophobicContact CG2-CD2 3.73Å; I545-F549 HydrophobicContact CG2-CE2 4.18Å; G547-F549 PolarHBondContact O-N 2.84Å |
| 550 | L | 78.1 | Confident | 73 | Confident | 46 Ų | 46 | 34.1 Ų | 34.1 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 83.3 | 161 | -70.8 | 176.2 | 0 | 0 | 0 | 105.7 | T449 S450 K452 Q552 | T449-L550 WeakPolarHBondContact CA-O 3.42Å; T449-L550 PolarHBondContact OG1-O 2.76Å; S450-L550 PolarHBondContact N-O 3.47Å; S450-L550 PolarHBondContact O-N 2.86Å; S450-L550 WeakPolarHBondContact OG-CB 3.45Å; S450-L550 PolarHBondContact OG-O 3.45Å; K452-L550 HydrophobicContact CG-CD1 4.37Å; K452-L550 HydrophobicContact CG-CD2 3.93Å; K452-L550 HydrophobicContact CG-CG 3.84Å; L550-Q552 PolarHBondContact O-N 2.95Å |
| 551 | L | 79.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.8 | -174 | -177.6 | 69.5 | 0 | 0 | 0 | 109.7 | N427 L428 L430 F432 M447 I545 K553 A554 | N427-L551 CarbonylContact C-O 3.56Å; N427-L551 WeakPolarHBondContact CA-O 3.3Å; L428-L551 HydrophobicContact CB-CB 4.34Å; L428-L551 HydrophobicContact CB-CD2 4.24Å; L428-L551 HydrophobicContact CB-CG 4.38Å; L428-L551 WeakPolarHBondContact CB-O 3.43Å; L428-L551 HydrophobicContact CD1-CD2 3.94Å; L428-L551 HydrophobicContact CD1-CG 4.06Å; L428-L551 PolarHBondContact N-O 2.76Å; L430-L551 HydrophobicContact CD2-CB 4.07Å; L430-L551 HydrophobicContact CD2-CD2 4.13Å; F432-L551 HydrophobicContact CB-CD2 4.22Å; F432-L551 HydrophobicContact CD1-CD2 3.71Å; F432-L551 HydrophobicContact CE1-CD2 4.41Å; F432-L551 HydrophobicContact CG-CD2 4.16Å; M447-L551 HydrophobicContact CB-CD1 4.01Å; M447-L551 HydrophobicContact CG-CD1 3.94Å; I545-L551 HydrophobicContact CD1-CD1 4.33Å; I545-L551 HydrophobicContact CD1-CD2 3.88Å; I545-L551 HydrophobicContact CG2-CD2 4.47Å; L551-K553 WeakPolarHBondContact CD1-O 2.92Å; L551-A554 HydrophobicContact CD1-CB 4.41Å; L551-A554 HydrophobicContact CD2-CB 4.22Å |
| 552 | Q | 75.4 | Confident | 69.1 | Low | 54 Ų | 54 | 43.4 Ų | 43.4 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -36.4 | -178.6 | -65.3 | 179.3 | -10.9 | 0 | 0 | 112.1 | Q448 T508 L550 | Q448-Q552 PolarHBondContact O-N 2.77Å; T508-Q552 VanDerWaalsContact CG2-NE2 3.32Å; L550-Q552 PolarHBondContact O-N 2.95Å |
| 553 | K | 74.8 | Confident | 66.7 | Low | 74 Ų | 74 | 49.7 Ų | 49.7 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 143.7 | 179 | -168.4 | 176.1 | 177.7 | -176.7 | 0 | 109.5 | M447 Q448 L551 I555 | M447-K553 CarbonylContact C-O 3.49Å; M447-K553 VanDerWaalsContact CA-O 3.27Å; M447-K553 WeakPolarHBondContact CA-O 3.24Å; Q448-K553 HydrophobicContact CB-CB 4.02Å; Q448-K553 PolarHBondContact N-O 3.4Å; Q448-K553 PolarHBondContact O-N 2.84Å; Q448-K553 VanDerWaalsContact O-N 3.12Å; L551-K553 WeakPolarHBondContact CD1-O 2.92Å; K553-I555 VanDerWaalsContact CE-CD1 3.44Å |
| 554 | A | 75 | Confident | 63.9 | Low | 14 Ų | 14 | 53.8 Ų | 53.8 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 135.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F432 L434 F446 M447 I545 L551 | F432-A554 HydrophobicContact CE1-CB 4.31Å; L434-A554 HydrophobicContact CD1-CB 4.35Å; L434-A554 HydrophobicContact CD2-CB 4.31Å; F446-A554 CarbonylContact O-C 3.56Å; F446-A554 WeakPolarHBondContact O-CA 3.37Å; M447-A554 HydrophobicContact CG-CB 3.94Å; I545-A554 HydrophobicContact CD1-CB 4.44Å; L551-A554 HydrophobicContact CD1-CB 4.41Å; L551-A554 HydrophobicContact CD2-CB 4.22Å |
| 555 | I | 70.8 | Confident | 61 | Low | 39 Ų | 39 | 55.4 Ų | 55.4 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.9 | 175.3 | -68.5 | -175.5 | 0 | 0 | 0 | 107.8 | F446 K553 L557 | F446-I555 PolarHBondContact N-O 3.14Å; F446-I555 PolarHBondContact O-N 2.72Å; K553-I555 VanDerWaalsContact CE-CD1 3.44Å; I555-L557 HydrophobicContact CG2-CD2 3.67Å; I555-L557 HydrophobicContact CG2-CG 4.01Å |
| 556 | V | 67 | Low | 57.8 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | 164.3 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | F417 L434 F436 F444 L445 | F417-V556 HydrophobicContact CD1-CB 4.06Å; F417-V556 HydrophobicContact CD1-CG2 4.26Å; F417-V556 HydrophobicContact CE1-CB 4.15Å; F417-V556 HydrophobicContact CE1-CG2 3.88Å; F417-V556 HydrophobicContact CZ-CG2 4.38Å; L434-V556 HydrophobicContact CB-CG2 3.95Å; L434-V556 HydrophobicContact CD1-CG2 4.05Å; L434-V556 HydrophobicContact CG-CG2 3.91Å; F436-V556 HydrophobicContact CD1-CB 4.32Å; F436-V556 HydrophobicContact CD1-CG1 3.58Å; F436-V556 HydrophobicContact CD1-CG2 3.81Å; F436-V556 HydrophobicContact CE1-CB 4.47Å; F436-V556 HydrophobicContact CE1-CG1 3.93Å; F436-V556 HydrophobicContact CE1-CG2 3.65Å; F436-V556 HydrophobicContact CG-CG1 4.41Å; F444-V556 WeakPolarHBondContact O-CA 3.37Å; L445-V556 HydrophobicContact CD1-CG2 4.38Å |
| 557 | L | 58.7 | Low | 55.1 | Low | 54 Ų | 54 | 65.6 Ų | 65.6 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105.2 | 166.3 | -60.2 | -175.9 | 0 | 0 | 0 | 108.3 | F444 F446 I555 | F444-L557 HydrophobicContact CB-CB 4.35Å; F444-L557 PolarHBondContact N-O 3.38Å; F444-L557 VanDerWaalsContact N-O 3.17Å; F444-L557 PolarHBondContact O-N 2.69Å; F446-L557 HydrophobicContact CD2-CD1 4.4Å; F446-L557 HydrophobicContact CD2-CG 4.47Å; F446-L557 HydrophobicContact CE2-CD1 3.93Å; F446-L557 HydrophobicContact CE2-CG 4.35Å; I555-L557 HydrophobicContact CG2-CD2 3.67Å; I555-L557 HydrophobicContact CG2-CG 4.01Å |
| 558 | P | 51.6 | Low | 52.1 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 29% | 0.286 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.9 | 164 | 30.2 | -29.5 | 0 | 0 | 0 | 108.6 | L438 E560 | L438-P558 HydrophobicContact CB-CB 4.02Å; P558-E560 PolarHBondContact O-N 3.28Å |
| 559 | M | 41.4 | Very low | 49.1 | Very low | 29 Ų | 29 | 72.9 Ų | 72.9 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | trans | -86.2 | 105.1 | 173.6 | -71.2 | -176.9 | 169.4 | 0 | 0 | 110.8 | S440 T442 F444 Y563 | S440-M559 WeakPolarHBondContact CB-O 3.49Å; S440-M559 PolarHBondContact OG-N 3.1Å; T442-M559 HydrophobicContact CG2-SD 4.14Å; F444-M559 HydrophobicContact CD2-CE 3.39Å; F444-M559 HydrophobicContact CD2-SD 3.94Å; F444-M559 HydrophobicContact CE2-CE 3.08Å; F444-M559 HydrophobicContact CE2-SD 3.56Å; F444-M559 VanDerWaalsContact CE2-SD 3.56Å; F444-M559 HydrophobicContact CG-CE 4.3Å; F444-M559 HydrophobicContact CZ-CE 3.78Å; M559-Y563 HydrophobicContact CE-CD1 3.11Å; M559-Y563 HydrophobicContact CE-CD2 4.49Å; M559-Y563 HydrophobicContact CE-CE1 3.68Å; M559-Y563 HydrophobicContact CE-CG 3.58Å; M559-Y563 HydrophobicContact SD-CD1 4.26Å | ||
| 560 | E | 40.7 | Very low | 46.2 | Very low | 152 Ų | 152 | 76.6 Ų | 76.6 | 71% | 0.71 | 41% | 0.408 | S | S | * | . | trans | -58.3 | 143.9 | 141.7 | -66.5 | 176.7 | -173.6 | 0 | 0 | 107.4 | L438 P558 N562 | L438-E560 HydrophobicContact CD1-CG 4.02Å; P558-E560 PolarHBondContact O-N 3.28Å; E560-N562 PolarHBondContact O-N 2.87Å | ||
| 561 | S | 32.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 81.2 Ų | 81.2 | 78% | 0.783 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 1.1 | -145.4 | 46.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 562 | N | 30.5 | Very low | 41 | Very low | 137 Ų | 137 | 89.2 Ų | 89.2 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 2.5 | -161.1 | -63.3 | 27.7 | 0 | 0 | 0 | 114.2 | E560 V564 | E560-N562 PolarHBondContact O-N 2.87Å; N562-V564 VanDerWaalsContact C-N 3.3Å; N562-V564 PolarHBondContact O-N 2.94Å |
| 563 | Y | 29.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 94.6 Ų | 94.6 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | trans | -78.3 | 86 | 164.4 | -168.4 | -76 | 0 | 0 | 0 | 108.9 | M559 P565 | M559-Y563 HydrophobicContact CE-CD1 3.11Å; M559-Y563 HydrophobicContact CE-CD2 4.49Å; M559-Y563 HydrophobicContact CE-CE1 3.68Å; M559-Y563 HydrophobicContact CE-CG 3.58Å; M559-Y563 HydrophobicContact SD-CD1 4.26Å; Y563-P565 HydrophobicContact CD1-CB 4.43Å; Y563-P565 HydrophobicContact CE1-CB 4.04Å | ||
| 564 | V | 26 | Very low | 36.1 | Very low | 86 Ų | 86 | 96.3 Ų | 96.3 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | trans | -62.8 | 127.7 | 150.5 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | N562 R566 | N562-V564 VanDerWaalsContact C-N 3.3Å; N562-V564 PolarHBondContact O-N 2.94Å; V564-R566 PolarHBondContact O-N 3.5Å | ||
| 565 | P | 24.6 | Very low | 33.5 | Very low | 72 Ų | 72 | 98.3 Ų | 98.3 | 47% | 0.468 | 55% | 0.551 | S | S | . | * | trans | -65.6 | 130.9 | 177.7 | 27.3 | -33.6 | 0 | 0 | 0 | 110.2 | Y563 S567 | Y563-P565 HydrophobicContact CD1-CB 4.43Å; Y563-P565 HydrophobicContact CE1-CB 4.04Å; P565-S567 VanDerWaalsContact C-N 3.28Å; P565-S567 PolarHBondContact O-N 2.8Å | ||
| 566 | R | 21.6 | Very low | 31.3 | Very low | 219 Ų | 219 | 107 Ų | 107 | 83% | 0.826 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -55.3 | 85.5 | 169.1 | -92.7 | 178.6 | 148.5 | 154.7 | -2.1 | 111.9 | V564 D568 | V564-R566 PolarHBondContact O-N 3.5Å; R566-D568 IonicContact NE-OD1 3.72Å; R566-D568 PolarHBondContact NE-OD1 3.01Å |
| 567 | S | 26.4 | Very low | 29.1 | Very low | 43 Ų | 43 | 116.4 Ų | 116.4 | 30% | 0.301 | 62% | 0.624 | S | S | . | * | S | Bend | -83 | 140.2 | 99.4 | 49.1 | 0 | 0 | 0 | 0 | 108.6 | P565 D569 | P565-S567 VanDerWaalsContact C-N 3.28Å; P565-S567 PolarHBondContact O-N 2.8Å; S567-D569 PolarHBondContact O-N 2.85Å; S567-D569 VanDerWaalsContact O-N 3.14Å | |
| 568 | D | 21.6 | Very low | 27.4 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -75.1 | 102.4 | 177.9 | -48 | -80.9 | 0 | 0 | 0 | 110.3 | R566 K684 | R566-D568 IonicContact NE-OD1 3.72Å; R566-D568 PolarHBondContact NE-OD1 3.01Å; D568-K684 PolarHBondContact O-NZ 2.91Å |
| 569 | D | 23.4 | Very low | 25.9 | Very low | 100 Ų | 100 | 131 Ų | 131 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | trans | -177.7 | 137.3 | 149.8 | -83.4 | -25.6 | 0 | 0 | 0 | 112.8 | S567 K684 | S567-D569 PolarHBondContact O-N 2.85Å; S567-D569 VanDerWaalsContact O-N 3.14Å; D569-K684 IonicContact OD1-NZ 2.6Å; D569-K684 PolarHBondContact OD1-NZ 3.44Å; D569-K684 WeakPolarHBondContact OD2-CE 3.47Å; D569-K684 IonicContact OD2-NZ 3.92Å; D569-K684 PolarHBondContact OD2-NZ 3.14Å | ||
| 570 | A | 21.7 | Very low | 24.9 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | trans | 47.3 | 99.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 571 | D | 21.3 | Very low | 24 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | 40.2 | 136.8 | 108.5 | -57 | -36.9 | 0 | 0 | 0 | 124.5 | |||||
| 572 | E | 25.4 | Very low | 23.4 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | 42.2 | 113 | 141.2 | -57.4 | -164 | 149.5 | 0 | 0 | 122.4 | ||||
| 573 | N | 25 | Very low | 22.9 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | trans | -156.8 | 93.1 | 133.1 | -122.5 | -87.7 | 0 | 0 | 0 | 112.9 | ||||
| 574 | A | 22.5 | Very low | 22.5 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -99.5 | 94.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 575 | G | 21.3 | Very low | 22.4 | Very low | 57 Ų | 57 | 148.8 Ų | 148.8 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | trans | -179.5 | 41.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 576 | R | 23 | Very low | 22.3 | Very low | 221 Ų | 221 | 152.6 Ų | 152.6 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | -171 | 120.4 | 154.3 | -105.5 | 142.6 | -173.8 | -175.8 | 2.5 | 113.7 | K578 | R576-K578 PolarHBondContact O-N 2.86Š| ||
| 577 | Q | 21.9 | Very low | 22.8 | Very low | 208 Ų | 208 | 151.2 Ų | 151.2 | 97% | 0.972 | 76% | 0.756 | S | S | * | * | trans | -71.5 | 72.3 | 156 | -76.3 | -175.5 | -36.8 | 0 | 0 | 110.1 | R579 | Q577-R579 PolarHBondContact O-N 2.8Š| ||
| 578 | K | 22.6 | Very low | 23.4 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 74% | 0.735 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 123.1 | 157.7 | -82.1 | -173.1 | 175.9 | 179.8 | 0 | 106.9 | R576 L580 | R576-K578 PolarHBondContact O-N 2.86Å; K578-L580 PolarHBondContact O-N 3.24Å | ||
| 579 | R | 19.8 | Very low | 24.8 | Very low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -48.6 | 128.8 | 171.3 | -68.8 | 174.9 | 174.6 | 167.4 | -3.2 | 108.4 | Q577 V581 | Q577-R579 PolarHBondContact O-N 2.8Å; R579-V581 PolarHBondContact O-N 2.89Å | ||
| 580 | L | 21.5 | Very low | 26.7 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -65.3 | 93.4 | 154.3 | -101.3 | 76.1 | 0 | 0 | 0 | 106.4 | K578 | K578-L580 PolarHBondContact O-N 3.24Š| ||
| 581 | V | 20.7 | Very low | 28.9 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | trans | -52.1 | 136.7 | 143.8 | 176.7 | 0 | 0 | 0 | 0 | 105.7 | R579 M583 | R579-V581 PolarHBondContact O-N 2.89Å; V581-M583 PolarHBondContact O-N 2.62Å | ||
| 582 | E | 20.8 | Very low | 31.4 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 92.3 | 172.5 | -71.9 | 178.3 | 118.5 | 0 | 0 | 108.5 | E584 | E582-E584 PolarHBondContact O-N 2.8Š| ||
| 583 | M | 20.3 | Very low | 33.5 | Very low | 155 Ų | 155 | 147 Ų | 147 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -71.2 | 79.3 | 159.6 | -67.9 | -165.1 | -66 | 0 | 0 | 106.7 | V581 | V581-M583 PolarHBondContact O-N 2.62Š| ||
| 584 | E | 21.9 | Very low | 35.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | -37.5 | 148.1 | 136.7 | -68.9 | -162.4 | 127.3 | 0 | 0 | 108.5 | E582 M586 | E582-E584 PolarHBondContact O-N 2.8Å; E584-M586 PolarHBondContact O-N 2.99Å | ||
| 585 | W | 22.3 | Very low | 38.5 | Very low | 243 Ų | 243 | 139.8 Ų | 139.8 | 92% | 0.92 | 68% | 0.682 | S | S | * | * | trans | -70.7 | 70.9 | 175.9 | -72.4 | 67.9 | 0 | 0 | 0 | 110.2 | K587 | W585-K587 VanDerWaalsContact C-N 3.34Å; W585-K587 PolarHBondContact O-N 3.31Å | ||
| 586 | M | 22.5 | Very low | 41.4 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | -47.8 | 108.3 | 151.2 | -79.1 | -155.2 | -69.3 | 0 | 0 | 105.2 | E584 V588 | E584-M586 PolarHBondContact O-N 2.99Å; M586-V588 PolarHBondContact O-N 2.67Å | ||
| 587 | K | 32.2 | Very low | 43.9 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.826 | 65% | 0.649 | S | S | * | * | trans | -51.8 | 104.2 | 178.9 | -62.4 | 167 | -177.5 | 173.6 | 0 | 106.7 | W585 K589 | W585-K587 VanDerWaalsContact C-N 3.34Å; W585-K587 PolarHBondContact O-N 3.31Å; K587-K589 PolarHBondContact O-N 2.59Å | ||
| 588 | V | 38.9 | Very low | 46.6 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 56% | 0.564 | 63% | 0.631 | S | S | * | * | trans | -62.1 | 95.3 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 104.2 | M586 P590 Y714 | M586-V588 PolarHBondContact O-N 2.67Å; V588-P590 WeakPolarHBondContact O-CD 3.3Å; V588-Y714 WeakPolarHBondContact CG1-O 3.45Å | ||
| 589 | K | 51.2 | Low | 48.9 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.5 | -168.4 | -81.8 | -175.2 | 176.6 | 178 | 0 | 106.5 | K587 L591 | K587-K589 PolarHBondContact O-N 2.59Å; K589-L591 PolarHBondContact O-N 2.88Å; K589-L591 VanDerWaalsContact O-N 3.1Å |
| 590 | P | 64.9 | Low | 51 | Low | 75 Ų | 75 | 117.9 Ų | 117.9 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -48.9 | 123.9 | 174.6 | -32.1 | 38.1 | 0 | 0 | 0 | 110.6 | V588 S592 T712 L713 Y714 | V588-P590 WeakPolarHBondContact O-CD 3.3Å; P590-S592 PolarHBondContact O-N 2.84Å; P590-T712 HydrophobicContact CB-CG2 3.63Å; P590-T712 HydrophobicContact CG-CG2 3.63Å; P590-L713 CarbonylContact C-O 3.49Å; P590-L713 VanDerWaalsContact CA-O 3.24Å; P590-L713 WeakPolarHBondContact CA-O 3.38Å; P590-Y714 HydrophobicContact CG-CE1 4.49Å |
| 591 | L | 67.1 | Low | 52.8 | Low | 64 Ų | 64 | 113.7 Ų | 113.7 | 34% | 0.335 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -65.6 | 127.8 | 171 | -67.8 | 174.1 | 0 | 0 | 0 | 107.4 | K589 L593 I595 L713 I716 | K589-L591 PolarHBondContact O-N 2.88Å; K589-L591 VanDerWaalsContact O-N 3.1Å; L591-L593 PolarHBondContact O-N 3.31Å; L591-I595 HydrophobicContact CB-CD1 4.46Å; L591-I595 HydrophobicContact CD1-CD1 4.46Å; L591-L713 HydrophobicContact CB-CB 4.22Å; L591-L713 HydrophobicContact CB-CD2 3.87Å; L591-L713 HydrophobicContact CB-CG 4.09Å; L591-L713 HydrophobicContact CD1-CD2 3.93Å; L591-L713 HydrophobicContact CD1-CG 4.12Å; L591-L713 PolarHBondContact N-O 2.88Å; L591-I716 HydrophobicContact CD1-CG2 3.92Å |
| 592 | S | 74.2 | Confident | 54.4 | Low | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.8 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | P590 | P590-S592 PolarHBondContact O-N 2.84Š|
| 593 | L | 69.8 | Low | 56 | Low | 41 Ų | 41 | 109.9 Ų | 109.9 | 22% | 0.215 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -103.2 | 150.4 | 173.6 | -64.1 | -178.4 | 0 | 0 | 0 | 110.5 | L591 I595 V707 F711 L713 | L591-L593 PolarHBondContact O-N 3.31Å; L593-I595 HydrophobicContact CD2-CB 4.21Å; L593-I595 HydrophobicContact CD2-CG2 3.81Å; L593-V707 HydrophobicContact CD2-CB 4.43Å; L593-V707 HydrophobicContact CD2-CG1 4.24Å; L593-F711 HydrophobicContact CD1-CB 3.71Å; L593-F711 WeakPolarHBondContact CD1-O 3.19Å; L593-L713 HydrophobicContact CD1-CB 4.35Å; L593-L713 HydrophobicContact CD2-CB 3.88Å; L593-L713 HydrophobicContact CD2-CD2 3.77Å; L593-L713 HydrophobicContact CD2-CG 4.46Å; L593-L713 HydrophobicContact CG-CB 4.25Å |
| 594 | P | 74.6 | Confident | 57.5 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | S | Bend | cis | -70 | 148.1 | -2.9 | 29.3 | -36 | 0 | 0 | 0 | 112.7 | T706 V707 D708 | P594-T706 HydrophobicContact CB-CG2 4.38Å; P594-V707 VanDerWaalsContact CA-O 3.29Å; P594-V707 WeakPolarHBondContact CA-O 3.27Å; P594-D708 HydrophobicContact CB-CB 4Å |
| 595 | I | 77.6 | Confident | 59.3 | Low | 39 Ų | 39 | 105.1 Ų | 105.1 | 20% | 0.2 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.2 | 170.6 | -162.7 | 158.4 | 0 | 0 | 0 | 109.5 | L591 L593 T706 V707 L713 I716 | L591-I595 HydrophobicContact CB-CD1 4.46Å; L591-I595 HydrophobicContact CD1-CD1 4.46Å; L593-I595 HydrophobicContact CD2-CB 4.21Å; L593-I595 HydrophobicContact CD2-CG2 3.81Å; I595-T706 CarbonylContact O-C 3.51Å; I595-T706 VanDerWaalsContact O-CA 3.3Å; I595-T706 WeakPolarHBondContact O-CA 2.92Å; I595-V707 HydrophobicContact CG2-CB 4.06Å; I595-V707 PolarHBondContact N-O 3.22Å; I595-V707 PolarHBondContact O-N 2.86Å; I595-L713 HydrophobicContact CB-CD2 4.44Å; I595-L713 HydrophobicContact CD1-CD2 4.47Å; I595-L713 HydrophobicContact CG2-CD2 3.49Å; I595-L713 VanDerWaalsContact CG2-CD2 3.49Å; I595-I716 HydrophobicContact CD1-CG2 4Å; I595-I716 HydrophobicContact CG2-CD1 4.05Å |
| 596 | T | 81.1 | Confident | 61.5 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.1 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | V705 T706 | T596-V705 CarbonylContact C-O 3.56Å; T596-V705 VanDerWaalsContact CA-O 3.3Å; T596-V705 WeakPolarHBondContact CA-O 3.5Å; T596-T706 WeakPolarHBondContact CG2-OG1 3.36Å; T596-T706 WeakPolarHBondContact OG1-CG2 3.33Å; T596-T706 PolarHBondContact OG1-OG1 2.93Å |
| 597 | T | 76.7 | Confident | 63.9 | Low | 35 Ų | 35 | 89.5 Ų | 89.5 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.8 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | S704 V705 I716 T718 | T597-S704 CarbonylContact O-C 3.3Å; T597-S704 VanDerWaalsContact O-CA 3.29Å; T597-S704 WeakPolarHBondContact O-CA 3.32Å; T597-S704 WeakPolarHBondContact O-CB 3.25Å; T597-V705 PolarHBondContact N-O 3.23Å; T597-V705 PolarHBondContact O-N 3.5Å; T597-I716 WeakPolarHBondContact OG1-CD1 3.3Å; T597-T718 HydrophobicContact CG2-CG2 3.68Å |
| 598 | K | 77.7 | Confident | 66.1 | Low | 137 Ų | 137 | 80.5 Ų | 80.5 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.8 | 168.9 | -61.3 | -158.1 | 169.3 | -161.8 | 0 | 109.1 | E629 T703 | K598-E629 IonicContact NZ-OE1 2.7Å; K598-E629 PolarHBondContact NZ-OE1 3.43Å; K598-T703 WeakPolarHBondContact CA-O 3.35Å |
| 599 | F | 71.9 | Confident | 68.1 | Low | 12 Ų | 12 | 79 Ų | 79 | 5% | 0.053 | 40% | 0.399 | C | S | . | . | trans | -76.9 | 141 | 167.4 | -63.8 | -84.6 | 0 | 0 | 0 | 108.6 | E601 Q606 L608 L678 V702 T703 V705 T718 | F599-E601 PolarHBondContact O-N 3.39Å; F599-Q606 HydrophobicContact CB-CG 4.42Å; F599-Q606 HydrophobicContact CD1-CB 3.97Å; F599-Q606 HydrophobicContact CD1-CG 3.96Å; F599-Q606 VanDerWaalsContact CD1-OE1 3.3Å; F599-Q606 HydrophobicContact CE1-CB 4.08Å; F599-Q606 HydrophobicContact CG-CG 4.33Å; F599-L608 HydrophobicContact CE1-CB 4.29Å; F599-L608 HydrophobicContact CZ-CB 4.2Å; F599-L678 HydrophobicContact CE1-CD1 4.41Å; F599-L678 HydrophobicContact CE2-CD1 4.11Å; F599-L678 HydrophobicContact CZ-CD1 3.86Å; F599-V702 HydrophobicContact CD2-CG1 4.04Å; F599-V702 HydrophobicContact CE2-CG1 3.72Å; F599-T703 PolarHBondContact N-O 2.7Å; F599-V705 HydrophobicContact CE2-CB 4.13Å; F599-V705 HydrophobicContact CE2-CG1 4.18Å; F599-V705 HydrophobicContact CZ-CB 4.38Å; F599-V705 HydrophobicContact CZ-CG1 4.14Å; F599-T718 HydrophobicContact CD1-CG2 3.77Å; F599-T718 HydrophobicContact CE1-CG2 3.53Å; F599-T718 HydrophobicContact CZ-CG2 4.22Å | ||
| 600 | E | 62.4 | Low | 69.7 | Low | 162 Ų | 162 | 70.7 Ų | 70.7 | 76% | 0.757 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -66.1 | -36.7 | -171.1 | -61.3 | -174.9 | 140.5 | 0 | 0 | 113.2 | ||
| 601 | E | 59.8 | Low | 70.4 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | trans | -138.4 | 118.7 | 177 | -81.2 | 164.7 | -142.9 | 0 | 0 | 110.2 | F599 Q603 Y604 Q606 K720 | F599-E601 PolarHBondContact O-N 3.39Å; E601-Q603 PolarHBondContact O-N 2.69Å; E601-Y604 HydrophobicContact CB-CD2 4.19Å; E601-Y604 VanDerWaalsContact OE2-CD2 3.28Å; E601-Y604 WeakPolarHBondContact OE2-CD2 3.27Å; E601-Y604 VanDerWaalsContact OE2-CE2 3.3Å; E601-Y604 WeakPolarHBondContact OE2-CE2 3.42Å; E601-Q606 PolarHBondContact O-NE2 2.87Å; E601-K720 IonicContact OE1-NZ 3.55Å; E601-K720 PolarHBondContact OE1-NZ 3.17Å; E601-K720 IonicContact OE2-NZ 2.68Å; E601-K720 PolarHBondContact OE2-NZ 2.93Å | ||
| 602 | P | 54.6 | Low | 71.1 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.5 | -173.2 | 24.1 | -32.4 | 0 | 0 | 0 | 115 | Y604 P701 T703 | P602-Y604 PolarHBondContact O-N 3.06Å; P602-P701 HydrophobicContact CB-CB 4.08Å; P602-P701 HydrophobicContact CB-CG 4.31Å; P602-P701 WeakPolarHBondContact O-CB 3.15Å; P602-T703 HydrophobicContact CB-CG2 4.02Å; P602-T703 HydrophobicContact CG-CG2 4.46Å |
| 603 | Q | 53.8 | Low | 71.3 | Confident | 158 Ų | 158 | 61.6 Ų | 61.6 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.4 | -166.1 | -68.3 | -172.4 | -17.6 | 0 | 0 | 116.4 | E601 | E601-Q603 PolarHBondContact O-N 2.69Š|
| 604 | Y | 52.7 | Low | 71.5 | Confident | 144 Ų | 144 | 60 Ų | 60 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -117.3 | 171.3 | -171.8 | -66.8 | -65.3 | 0 | 0 | 0 | 113.5 | E601 P602 Q606 | E601-Y604 HydrophobicContact CB-CD2 4.19Å; E601-Y604 VanDerWaalsContact OE2-CD2 3.28Å; E601-Y604 WeakPolarHBondContact OE2-CD2 3.27Å; E601-Y604 VanDerWaalsContact OE2-CE2 3.3Å; E601-Y604 WeakPolarHBondContact OE2-CE2 3.42Å; P602-Y604 PolarHBondContact O-N 3.06Å; Y604-Q606 PolarHBondContact O-N 3.02Å |
| 605 | K | 59.3 | Low | 71.5 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | trans | -60.3 | 120.1 | 171.3 | -61.2 | -159.2 | -170.6 | -139.3 | 0 | 109.9 | L678 D679 V721 | K605-L678 CarbonylContact C-O 3.6Å; K605-L678 VanDerWaalsContact CA-O 3.26Å; K605-L678 WeakPolarHBondContact CA-O 3.41Å; K605-D679 WeakPolarHBondContact CD-OD1 3.33Å; K605-D679 WeakPolarHBondContact CE-OD1 3.16Å; K605-D679 WeakPolarHBondContact CG-OD1 3.36Å; K605-D679 IonicContact NZ-OD1 2.66Å; K605-D679 PolarHBondContact NZ-OD1 2.8Å; K605-D679 IonicContact NZ-OD2 2.67Å; K605-D679 PolarHBondContact NZ-OD2 2.9Å; K605-V721 HydrophobicContact CB-CB 3.76Å; K605-V721 HydrophobicContact CB-CG2 4.09Å; K605-V721 PolarHBondContact O-N 3.44Å | ||
| 606 | Q | 68.6 | Low | 70.9 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.4 | -179.8 | -65.3 | 161 | 3.4 | 0 | 0 | 110.1 | F599 E601 Y604 L678 V702 G719 | F599-Q606 HydrophobicContact CB-CG 4.42Å; F599-Q606 HydrophobicContact CD1-CB 3.97Å; F599-Q606 HydrophobicContact CD1-CG 3.96Å; F599-Q606 VanDerWaalsContact CD1-OE1 3.3Å; F599-Q606 HydrophobicContact CE1-CB 4.08Å; F599-Q606 HydrophobicContact CG-CG 4.33Å; E601-Q606 PolarHBondContact O-NE2 2.87Å; Y604-Q606 PolarHBondContact O-N 3.02Å; Q606-L678 HydrophobicContact CB-CB 4.25Å; Q606-L678 HydrophobicContact CB-CD1 4.3Å; Q606-L678 PolarHBondContact N-O 2.83Å; Q606-L678 PolarHBondContact O-N 2.85Å; Q606-V702 PolarHBondContact NE2-O 3.36Å; Q606-G719 WeakPolarHBondContact CA-O 3.3Å |
| 607 | I | 73.3 | Confident | 70.3 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.3 | 163.2 | -72.5 | 172.6 | 0 | 0 | 0 | 109.1 | T675 V676 A677 T718 G719 V721 | I607-T675 HydrophobicContact CG2-CG2 3.83Å; I607-V676 WeakPolarHBondContact CA-O 3.39Å; I607-A677 HydrophobicContact CG1-CB 4.07Å; I607-T718 WeakPolarHBondContact O-CA 3.37Å; I607-G719 PolarHBondContact N-O 3.29Å; I607-G719 PolarHBondContact O-N 2.64Å; I607-V721 HydrophobicContact CB-CG2 4.48Å; I607-V721 HydrophobicContact CD1-CG2 3.55Å; I607-V721 HydrophobicContact CG1-CG2 3.56Å |
| 608 | L | 79 | Confident | 70.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.9 | 159.4 | 175.6 | 67.5 | 0 | 0 | 0 | 109.1 | F599 L610 F625 T675 V676 V705 I716 T718 | F599-L608 HydrophobicContact CE1-CB 4.29Å; F599-L608 HydrophobicContact CZ-CB 4.2Å; L608-L610 HydrophobicContact CD1-CD2 3.93Å; L608-L610 HydrophobicContact CD1-CG 4.34Å; L608-L610 HydrophobicContact CD2-CD1 4.21Å; L608-L610 HydrophobicContact CD2-CD2 4.46Å; L608-L610 HydrophobicContact CD2-CG 4.25Å; L608-L610 HydrophobicContact CG-CD2 4.27Å; L608-L610 HydrophobicContact CG-CG 4.13Å; L608-F625 HydrophobicContact CD2-CE1 3.94Å; L608-F625 HydrophobicContact CD2-CZ 4.09Å; L608-T675 CarbonylContact O-C 3.55Å; L608-T675 WeakPolarHBondContact O-CA 3.43Å; L608-V676 HydrophobicContact CB-CB 4.38Å; L608-V676 PolarHBondContact N-O 2.89Å; L608-V676 PolarHBondContact O-N 3.42Å; L608-V705 HydrophobicContact CD1-CG1 3.84Å; L608-V705 HydrophobicContact CD2-CB 4.25Å; L608-V705 HydrophobicContact CD2-CG1 3.87Å; L608-V705 HydrophobicContact CD2-CG2 3.74Å; L608-V705 HydrophobicContact CG-CG1 4.45Å; L608-I716 HydrophobicContact CD1-CD1 4.23Å; L608-I716 HydrophobicContact CD1-CG1 4.03Å; L608-T718 HydrophobicContact CD1-CG2 3.68Å |
| 609 | Y | 80.8 | Confident | 70 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.1 | 168 | 175.2 | -97 | 0 | 0 | 0 | 109.7 | Q611 N673 I716 N717 | Y609-Q611 HydrophobicContact CE1-CB 4.36Å; Y609-N673 HydrophobicContact CE2-CB 3.87Å; Y609-N673 VanDerWaalsContact OH-CG 3.3Å; Y609-N673 PolarHBondContact OH-ND2 2.94Å; Y609-N673 VanDerWaalsContact OH-ND2 3.09Å; Y609-N673 PolarHBondContact OH-OD1 3.37Å; Y609-I716 WeakPolarHBondContact O-CA 3.47Å; Y609-N717 HydrophobicContact CD1-CB 4.41Å; Y609-N717 PolarHBondContact N-O 3.2Å; Y609-N717 PolarHBondContact O-N 2.9Å |
| 610 | L | 82.9 | Confident | 70.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135 | 174.4 | -52.1 | 169.5 | 0 | 0 | 0 | 109.4 | L608 V612 I623 N673 V674 V707 L713 E715 I716 | L608-L610 HydrophobicContact CD1-CD2 3.93Å; L608-L610 HydrophobicContact CD1-CG 4.34Å; L608-L610 HydrophobicContact CD2-CD1 4.21Å; L608-L610 HydrophobicContact CD2-CD2 4.46Å; L608-L610 HydrophobicContact CD2-CG 4.25Å; L608-L610 HydrophobicContact CG-CD2 4.27Å; L608-L610 HydrophobicContact CG-CG 4.13Å; L610-V612 HydrophobicContact CB-CG1 4.38Å; L610-I623 HydrophobicContact CD1-CD1 3.74Å; L610-I623 HydrophobicContact CD1-CG1 4.37Å; L610-N673 CarbonylContact O-C 3.58Å; L610-N673 WeakPolarHBondContact O-CA 3.45Å; L610-V674 HydrophobicContact CB-CB 4.18Å; L610-V674 HydrophobicContact CD1-CB 4.32Å; L610-V674 HydrophobicContact CD1-CG1 4.39Å; L610-V674 PolarHBondContact N-O 2.81Å; L610-V674 PolarHBondContact O-N 2.87Å; L610-V707 HydrophobicContact CD1-CG1 4.37Å; L610-V707 HydrophobicContact CD1-CG2 3.64Å; L610-V707 HydrophobicContact CD2-CG2 3.86Å; L610-V707 HydrophobicContact CG-CG2 4.43Å; L610-L713 HydrophobicContact CB-CD1 4.24Å; L610-L713 HydrophobicContact CD2-CD1 4.15Å; L610-E715 WeakPolarHBondContact CA-O 3.38Å; L610-I716 HydrophobicContact CD2-CB 3.76Å; L610-I716 HydrophobicContact CD2-CD1 3.62Å; L610-I716 HydrophobicContact CD2-CG1 3.51Å |
| 611 | Q | 79.9 | Confident | 70.9 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.9 | 165.5 | -176.3 | 168.9 | 81.3 | 0 | 0 | 109.3 | Y609 I671 Y714 E715 | Y609-Q611 HydrophobicContact CE1-CB 4.36Å; Q611-I671 HydrophobicContact CG-CG2 3.29Å; Q611-Y714 PolarHBondContact O-N 3.44Å; Q611-E715 HydrophobicContact CB-CB 4.03Å; Q611-E715 PolarHBondContact N-O 3.1Å; Q611-E715 PolarHBondContact O-N 3.48Å |
| 612 | V | 82.6 | Confident | 72.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.7 | -173.3 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | L610 I671 F672 V674 F711 T712 L713 | L610-V612 HydrophobicContact CB-CG1 4.38Å; V612-I671 CarbonylContact O-C 3.46Å; V612-I671 WeakPolarHBondContact O-CA 3.46Å; V612-F672 HydrophobicContact CG2-CD2 3.9Å; V612-F672 HydrophobicContact CG2-CE2 3.56Å; V612-F672 HydrophobicContact CG2-CZ 4Å; V612-F672 PolarHBondContact N-O 3.07Å; V612-F672 PolarHBondContact O-N 3.1Å; V612-V674 HydrophobicContact CG2-CG2 4.02Å; V612-F711 HydrophobicContact CB-CB 4.32Å; V612-F711 HydrophobicContact CB-CD1 3.81Å; V612-F711 HydrophobicContact CB-CE1 4.34Å; V612-F711 HydrophobicContact CB-CG 4.2Å; V612-F711 HydrophobicContact CG1-CB 4.1Å; V612-F711 HydrophobicContact CG1-CD1 4.13Å; V612-F711 HydrophobicContact CG1-CG 4.05Å; V612-F711 HydrophobicContact CG2-CD1 3.91Å; V612-F711 HydrophobicContact CG2-CE1 3.93Å; V612-T712 CarbonylContact C-O 3.47Å; V612-T712 VanDerWaalsContact CA-O 3.31Å; V612-T712 WeakPolarHBondContact CA-O 3.43Å; V612-L713 HydrophobicContact CG1-CB 4.37Å; V612-L713 HydrophobicContact CG1-CD1 3.5Å; V612-L713 VanDerWaalsContact CG1-CD1 3.5Å |
| 613 | S | 77.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 163.6 | 156.3 | 67.7 | 0 | 0 | 0 | 0 | 109.5 | R670 F711 T712 Y714 | S613-R670 WeakPolarHBondContact CA-O 3.22Å; S613-R670 WeakPolarHBondContact CB-O 3.45Å; S613-F711 CarbonylContact O-C 3.58Å; S613-F711 VanDerWaalsContact O-CA 3.29Å; S613-F711 WeakPolarHBondContact O-CA 3.23Å; S613-T712 PolarHBondContact N-O 2.91Å; S613-T712 PolarHBondContact O-N 2.86Å; S613-T712 WeakPolarHBondContact OG-CB 3.42Å; S613-Y714 WeakPolarHBondContact OG-CE2 3.38Å; S613-Y714 PolarHBondContact OG-OH 3.44Å |
| 614 | L | 74.3 | Confident | 74.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133 | 169 | -71 | 161.9 | 0 | 0 | 0 | 109.5 | P618 Y639 I664 F672 F711 | L614-P618 HydrophobicContact CB-CB 4.32Å; L614-P618 HydrophobicContact CB-CG 4.09Å; L614-P618 HydrophobicContact CD1-CG 4.3Å; L614-P618 HydrophobicContact CD2-CB 3.88Å; L614-P618 HydrophobicContact CD2-CG 4.15Å; L614-P618 HydrophobicContact CG-CG 4.39Å; L614-Y639 HydrophobicContact CD1-CD1 4.32Å; L614-Y639 HydrophobicContact CD1-CE1 3.54Å; L614-Y639 HydrophobicContact CD2-CE1 3.72Å; L614-Y639 HydrophobicContact CD2-CE2 4.17Å; L614-Y639 VanDerWaalsContact CD2-CZ 3.46Å; L614-Y639 WeakPolarHBondContact CD2-OH 3.33Å; L614-Y639 HydrophobicContact CG-CE1 4.29Å; L614-I664 HydrophobicContact CD1-CG2 4.15Å; L614-F672 HydrophobicContact CD1-CE1 3.86Å; L614-F672 HydrophobicContact CD1-CZ 3.98Å; L614-F672 HydrophobicContact CD2-CZ 4.41Å; L614-F672 HydrophobicContact CG-CE1 3.76Å; L614-F672 HydrophobicContact CG-CZ 3.82Å; L614-F711 HydrophobicContact CD2-CD1 3.93Å; L614-F711 HydrophobicContact CD2-CE1 4.03Å |
| 615 | K | 74.5 | Confident | 76.4 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 34% | 0.335 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 149 | 166.9 | -64.4 | 179.2 | -176.7 | 117.3 | 0 | 109.1 | N617 P618 G709 D710 F711 | K615-N617 PolarHBondContact O-N 3.04Å; K615-P618 VanDerWaalsContact O-CD 3.23Å; K615-P618 WeakPolarHBondContact O-CD 3.47Å; K615-G709 PolarHBondContact NZ-O 3.15Å; K615-D710 WeakPolarHBondContact CB-O 3.38Å; K615-D710 WeakPolarHBondContact CG-O 3.31Å; K615-D710 PolarHBondContact N-O 3.02Å; K615-F711 WeakPolarHBondContact CE-O 3.37Å; K615-F711 PolarHBondContact NZ-O 3.01Å |
| 616 | P | 65.8 | Low | 77.4 | Confident | 88 Ų | 88 | 37.8 Ų | 37.8 | 57% | 0.571 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -55.3 | 129.7 | 175.5 | -27 | 35.6 | 0 | 0 | 0 | 112.2 | E669 | P616-E669 WeakPolarHBondContact CD-OE1 3.15Å; P616-E669 HydrophobicContact CG-CG 4.08Å; P616-E669 WeakPolarHBondContact CG-OE1 3.35Å |
| 617 | N | 68.2 | Low | 77.7 | Confident | 135 Ų | 135 | 37.6 Ų | 37.6 | 72% | 0.722 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 55.9 | 61.6 | -172.7 | -57.4 | -33.9 | 0 | 0 | 0 | 114 | K615 | K615-N617 PolarHBondContact O-N 3.04Š|
| 618 | P | 74.3 | Confident | 77.8 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | trans | -68 | 145.1 | 177.5 | 34.3 | -35.6 | 0 | 0 | 0 | 110.3 | L614 K615 Y639 V666 D710 | L614-P618 HydrophobicContact CB-CB 4.32Å; L614-P618 HydrophobicContact CB-CG 4.09Å; L614-P618 HydrophobicContact CD1-CG 4.3Å; L614-P618 HydrophobicContact CD2-CB 3.88Å; L614-P618 HydrophobicContact CD2-CG 4.15Å; L614-P618 HydrophobicContact CG-CG 4.39Å; K615-P618 VanDerWaalsContact O-CD 3.23Å; K615-P618 WeakPolarHBondContact O-CD 3.47Å; P618-Y639 HydrophobicContact CB-CD1 4.33Å; P618-Y639 HydrophobicContact CB-CD2 3.89Å; P618-Y639 HydrophobicContact CB-CE2 4.13Å; P618-Y639 HydrophobicContact CB-CG 4.05Å; P618-Y639 HydrophobicContact CG-CD1 3.75Å; P618-Y639 HydrophobicContact CG-CD2 4.15Å; P618-Y639 HydrophobicContact CG-CE1 4.19Å; P618-Y639 HydrophobicContact CG-CG 3.78Å; P618-Y639 VanDerWaalsContact O-CB 3.26Å; P618-Y639 WeakPolarHBondContact O-CB 3.45Å; P618-V666 HydrophobicContact CG-CG1 3.9Å; P618-D710 HydrophobicContact CB-CB 3.62Å | ||
| 619 | R | 73 | Confident | 77.5 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | trans | -116.3 | -51.5 | -178.8 | -69.5 | 170.7 | 157.6 | -148.1 | -23.3 | 110.7 | Y639 D710 D2210 N2211 | R619-Y639 WeakPolarHBondContact O-CD2 3.49Å; R619-Y639 PolarHBondContact O-N 3.21Å; R619-D710 WeakPolarHBondContact CA-OD2 3.48Å; R619-D710 WeakPolarHBondContact CB-OD2 3.48Å; R619-D710 PolarHBondContact N-OD2 2.86Å; R619-D2210 PolarHBondContact NH1-O 3.04Å; R619-D2210 PolarHBondContact NH2-O 3.25Å; R619-D2210 IonicContact NH2-OD1 3.66Å; R619-N2211 PolarHBondContact NH1-O 2.84Å | ||
| 620 | H | 74.4 | Confident | 77.2 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.5 | 178.6 | -66.7 | -21 | 0 | 0 | 0 | 111.4 | R636 G637 G709 D710 | H620-R636 PolarHBondContact CD2-NH2 3.19Å; H620-R636 VanDerWaalsContact CD2-NH2 3.34Å; H620-R636 PolarHBondContact CE1-NH2 2.85Å; H620-R636 VanDerWaalsContact CE1-NH2 3.3Å; H620-R636 PolarHBondContact NE2-NH2 2.87Å; H620-G637 WeakPolarHBondContact CA-O 3.24Å; H620-G709 CarbonylContact O-C 3.48Å; H620-G709 WeakPolarHBondContact O-CA 3.31Å; H620-D710 PolarHBondContact N-OD2 3.31Å; H620-D710 PolarHBondContact O-N 3.5Å |
| 621 | S | 79.9 | Confident | 77 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.3 | 169 | -77.3 | 0 | 0 | 0 | 0 | 108.6 | R636 G637 Y639 F711 | S621-R636 CarbonylContact O-C 3.56Å; S621-R636 WeakPolarHBondContact O-CA 3.34Å; S621-G637 PolarHBondContact N-O 3.31Å; S621-G637 PolarHBondContact O-N 2.83Å; S621-Y639 WeakPolarHBondContact CB-OH 3.41Å; S621-Y639 PolarHBondContact OG-OH 2.77Å; S621-F711 VanDerWaalsContact CB-CE2 3.47Å; S621-F711 VanDerWaalsContact CB-CZ 3.46Å |
| 622 | L | 83.7 | Confident | 76.5 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.5 | -173.4 | -166.8 | 68.8 | 0 | 0 | 0 | 111.4 | Q624 Y634 I635 R636 D708 | L622-Q624 HydrophobicContact CD1-CG 4.38Å; L622-Q624 HydrophobicContact CD2-CG 3.77Å; L622-Q624 HydrophobicContact CG-CG 3.78Å; L622-Y634 HydrophobicContact CD1-CD2 4.07Å; L622-Y634 HydrophobicContact CD1-CG 4.49Å; L622-I635 WeakPolarHBondContact CA-O 3.28Å; L622-R636 HydrophobicContact CD1-CB 3.91Å; L622-R636 HydrophobicContact CD1-CG 4.17Å; L622-D708 PolarHBondContact N-O 3.18Å; L622-D708 PolarHBondContact O-N 3.08Å |
| 623 | I | 84.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.1 | 168.6 | -54.5 | 171.4 | 0 | 0 | 0 | 106.8 | L610 F625 Y634 I635 V674 V705 T706 V707 F711 | L610-I623 HydrophobicContact CD1-CD1 3.74Å; L610-I623 HydrophobicContact CD1-CG1 4.37Å; I623-F625 HydrophobicContact CB-CE2 4.47Å; I623-F625 HydrophobicContact CG2-CE2 3.65Å; I623-F625 HydrophobicContact CG2-CZ 3.67Å; I623-Y634 CarbonylContact O-C 3.09Å; I623-Y634 VanDerWaalsContact O-CA 3.23Å; I623-Y634 WeakPolarHBondContact O-CA 3.26Å; I623-Y634 WeakPolarHBondContact O-CB 3.34Å; I623-I635 HydrophobicContact CB-CB 4.36Å; I623-I635 PolarHBondContact N-O 2.67Å; I623-I635 PolarHBondContact O-N 2.73Å; I623-V674 HydrophobicContact CD1-CG1 4Å; I623-V705 HydrophobicContact CG2-CG2 3.66Å; I623-T706 CarbonylContact C-O 3.49Å; I623-T706 WeakPolarHBondContact CA-O 3.47Å; I623-V707 HydrophobicContact CG1-CG1 4.42Å; I623-V707 HydrophobicContact CG1-CG2 4.45Å; I623-V707 HydrophobicContact CG2-CG2 4.33Å; I623-F711 HydrophobicContact CD1-CE2 4.45Å; I623-F711 HydrophobicContact CG1-CE2 4.21Å |
| 624 | Q | 84.6 | Confident | 76.1 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.4 | -172.5 | -65.1 | -176.4 | -78.6 | 0 | 0 | 111 | L622 Y626 L631 V705 T706 | L622-Q624 HydrophobicContact CD1-CG 4.38Å; L622-Q624 HydrophobicContact CD2-CG 3.77Å; L622-Q624 HydrophobicContact CG-CG 3.78Å; Q624-Y626 HydrophobicContact CB-CD2 4.3Å; Q624-Y626 HydrophobicContact CB-CE2 3.51Å; Q624-Y626 PolarHBondContact NE2-OH 3.1Å; Q624-Y626 PolarHBondContact OE1-OH 3.04Å; Q624-L631 HydrophobicContact CB-CD1 3.68Å; Q624-L631 HydrophobicContact CG-CD1 4.09Å; Q624-V705 CarbonylContact O-C 3.6Å; Q624-V705 VanDerWaalsContact O-CA 3.25Å; Q624-V705 WeakPolarHBondContact O-CA 2.8Å; Q624-V705 WeakPolarHBondContact O-CG2 3.38Å; Q624-T706 PolarHBondContact N-O 2.85Å; Q624-T706 PolarHBondContact O-N 2.85Å |
| 625 | F | 82.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.4 | -180 | -60.9 | -90.7 | 0 | 0 | 0 | 109.9 | L608 I623 V632 W633 I635 V676 V702 V705 | L608-F625 HydrophobicContact CD2-CE1 3.94Å; L608-F625 HydrophobicContact CD2-CZ 4.09Å; I623-F625 HydrophobicContact CB-CE2 4.47Å; I623-F625 HydrophobicContact CG2-CE2 3.65Å; I623-F625 HydrophobicContact CG2-CZ 3.67Å; F625-V632 WeakPolarHBondContact O-CG2 3.17Å; F625-V632 PolarHBondContact O-N 2.68Å; F625-V632 VanDerWaalsContact O-N 3.08Å; F625-W633 HydrophobicContact CB-CB 4.07Å; F625-W633 HydrophobicContact CD2-CB 4.34Å; F625-W633 HydrophobicContact CD2-CE3 4.17Å; F625-W633 HydrophobicContact CE2-CE3 4.4Å; F625-W633 PolarHBondContact N-O 2.87Å; F625-W633 PolarHBondContact O-N 3.22Å; F625-I635 HydrophobicContact CE2-CD1 4.06Å; F625-I635 HydrophobicContact CE2-CG1 4.31Å; F625-V676 HydrophobicContact CE1-CB 4.46Å; F625-V676 HydrophobicContact CE1-CG1 4.13Å; F625-V676 HydrophobicContact CZ-CB 4.12Å; F625-V676 HydrophobicContact CZ-CG1 3.85Å; F625-V676 HydrophobicContact CZ-CG2 4.01Å; F625-V702 HydrophobicContact CB-CG1 4.14Å; F625-V702 HydrophobicContact CD1-CG1 4.25Å; F625-V705 HydrophobicContact CD1-CB 4.06Å; F625-V705 HydrophobicContact CD1-CG2 3.83Å; F625-V705 HydrophobicContact CE1-CB 4.12Å; F625-V705 HydrophobicContact CE1-CG2 3.62Å; F625-V705 HydrophobicContact CG-CG2 4.38Å; F625-V705 HydrophobicContact CZ-CG2 3.99Å |
| 626 | Y | 80.4 | Confident | 76.5 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 19% | 0.192 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136 | -174.7 | -63.3 | -96.7 | 0 | 0 | 0 | 110.7 | Q624 E629 N630 L631 V702 T703 S704 | Q624-Y626 HydrophobicContact CB-CD2 4.3Å; Q624-Y626 HydrophobicContact CB-CE2 3.51Å; Q624-Y626 PolarHBondContact NE2-OH 3.1Å; Q624-Y626 PolarHBondContact OE1-OH 3.04Å; Y626-E629 WeakPolarHBondContact CD1-O 3.34Å; Y626-N630 CarbonylContact C-O 3.53Å; Y626-N630 WeakPolarHBondContact CA-O 3.33Å; Y626-L631 HydrophobicContact CD1-CB 4Å; Y626-L631 HydrophobicContact CD1-CD1 4.35Å; Y626-L631 HydrophobicContact CE1-CB 3.79Å; Y626-L631 HydrophobicContact CE1-CD1 4.01Å; Y626-L631 HydrophobicContact CE1-CG 4.47Å; Y626-L631 HydrophobicContact CE2-CD1 4.26Å; Y626-V702 WeakPolarHBondContact O-CG1 3.33Å; Y626-T703 PolarHBondContact O-N 2.75Å; Y626-T703 PolarHBondContact O-OG1 2.87Å; Y626-S704 PolarHBondContact N-O 3.5Å; Y626-S704 PolarHBondContact O-N 3.21Å; Y626-S704 VanDerWaalsContact O-N 3.1Å |
| 627 | A | 76.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | E629 N630 V632 V700 P701 | A627-E629 VanDerWaalsContact C-N 3.27Å; A627-E629 PolarHBondContact O-N 2.79Å; A627-N630 PolarHBondContact N-O 2.87Å; A627-N630 PolarHBondContact O-N 2.96Å; A627-V632 HydrophobicContact CB-CG1 3.78Å; A627-V632 HydrophobicContact CB-CG2 3.9Å; A627-V700 HydrophobicContact CB-CB 4.02Å; A627-V700 HydrophobicContact CB-CG1 3.84Å; A627-P701 WeakPolarHBondContact CA-O 3.32Å; A627-P701 WeakPolarHBondContact CB-O 3.41Å |
| 628 | N | 75.2 | Confident | 77.1 | Confident | 109 Ų | 109 | 41.9 Ų | 41.9 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.9 | -172 | -62.7 | -30.7 | 0 | 0 | 0 | 112.7 | N630 T703 | N628-N630 PolarHBondContact O-N 2.86Å; N628-N630 VanDerWaalsContact O-N 3.1Å; N628-T703 PolarHBondContact N-OG1 2.82Å; N628-T703 WeakPolarHBondContact OD1-CG2 3.29Å |
| 629 | E | 72.3 | Confident | 76.8 | Confident | 141 Ų | 141 | 41.8 Ų | 41.8 | 66% | 0.659 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -6 | -177.3 | -47.3 | -162.7 | 156.5 | 0 | 0 | 116 | K598 Y626 A627 | K598-E629 IonicContact NZ-OE1 2.7Å; K598-E629 PolarHBondContact NZ-OE1 3.43Å; Y626-E629 WeakPolarHBondContact CD1-O 3.34Å; A627-E629 VanDerWaalsContact C-N 3.27Å; A627-E629 PolarHBondContact O-N 2.79Å |
| 630 | N | 75.4 | Confident | 76.4 | Confident | 101 Ų | 101 | 44.7 Ų | 44.7 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.5 | 171.1 | -73.8 | -9.3 | 0 | 0 | 0 | 112 | Y626 A627 N628 V632 | Y626-N630 CarbonylContact C-O 3.53Å; Y626-N630 WeakPolarHBondContact CA-O 3.33Å; A627-N630 PolarHBondContact N-O 2.87Å; A627-N630 PolarHBondContact O-N 2.96Å; N628-N630 PolarHBondContact O-N 2.86Å; N628-N630 VanDerWaalsContact O-N 3.1Å; N630-V632 PolarHBondContact O-N 2.93Å |
| 631 | L | 77 | Confident | 75.9 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 101.9 | 178 | 179 | 66.8 | 0 | 0 | 0 | 110.8 | Q624 Y626 W633 Y634 | Q624-L631 HydrophobicContact CB-CD1 3.68Å; Q624-L631 HydrophobicContact CG-CD1 4.09Å; Y626-L631 HydrophobicContact CD1-CB 4Å; Y626-L631 HydrophobicContact CD1-CD1 4.35Å; Y626-L631 HydrophobicContact CE1-CB 3.79Å; Y626-L631 HydrophobicContact CE1-CD1 4.01Å; Y626-L631 HydrophobicContact CE1-CG 4.47Å; Y626-L631 HydrophobicContact CE2-CD1 4.26Å; L631-W633 WeakPolarHBondContact CD1-O 3.34Å; L631-Y634 HydrophobicContact CD2-CD1 4.26Å |
| 632 | V | 71.2 | Confident | 75.2 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.109 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -27.3 | 177.8 | -75 | 0 | 0 | 0 | 0 | 113.3 | F625 A627 N630 Q649 L698 V702 | F625-V632 WeakPolarHBondContact O-CG2 3.17Å; F625-V632 PolarHBondContact O-N 2.68Å; F625-V632 VanDerWaalsContact O-N 3.08Å; A627-V632 HydrophobicContact CB-CG1 3.78Å; A627-V632 HydrophobicContact CB-CG2 3.9Å; N630-V632 PolarHBondContact O-N 2.93Å; V632-Q649 PolarHBondContact O-N 2.87Å; V632-L698 HydrophobicContact CB-CD2 4.21Å; V632-L698 HydrophobicContact CG2-CD2 4.38Å; V632-V702 HydrophobicContact CG2-CG2 4.45Å |
| 633 | W | 72.4 | Confident | 74.1 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 148.4 | -170.8 | -131.7 | 68 | 0 | 0 | 0 | 113.2 | F625 L631 I635 L646 V683 Y693 V696 | F625-W633 HydrophobicContact CB-CB 4.07Å; F625-W633 HydrophobicContact CD2-CB 4.34Å; F625-W633 HydrophobicContact CD2-CE3 4.17Å; F625-W633 HydrophobicContact CE2-CE3 4.4Å; F625-W633 PolarHBondContact N-O 2.87Å; F625-W633 PolarHBondContact O-N 3.22Å; L631-W633 WeakPolarHBondContact CD1-O 3.34Å; W633-I635 HydrophobicContact CE3-CG1 4.41Å; W633-I635 HydrophobicContact CZ3-CD1 4.49Å; W633-I635 HydrophobicContact CZ3-CG1 4.18Å; W633-L646 HydrophobicContact CE3-CD1 4.44Å; W633-L646 HydrophobicContact CH2-CD1 3.6Å; W633-L646 HydrophobicContact CH2-CD2 3.71Å; W633-L646 HydrophobicContact CH2-CG 3.86Å; W633-L646 HydrophobicContact CZ2-CD1 4.22Å; W633-L646 HydrophobicContact CZ2-CD2 3.74Å; W633-L646 HydrophobicContact CZ2-CG 3.98Å; W633-L646 HydrophobicContact CZ3-CD1 3.71Å; W633-L646 HydrophobicContact CZ3-CG 4.35Å; W633-V683 HydrophobicContact CE3-CG1 4Å; W633-V683 HydrophobicContact CH2-CB 4.04Å; W633-V683 HydrophobicContact CH2-CG1 3.59Å; W633-V683 HydrophobicContact CZ2-CB 4.26Å; W633-V683 HydrophobicContact CZ2-CG1 4.25Å; W633-V683 HydrophobicContact CZ3-CB 4.34Å; W633-V683 HydrophobicContact CZ3-CG1 3.47Å; W633-V683 VanDerWaalsContact CZ3-CG1 3.47Å; W633-Y693 HydrophobicContact CH2-CD1 4.48Å; W633-Y693 HydrophobicContact CZ2-CD1 4.24Å; W633-V696 HydrophobicContact CZ2-CG2 4.43Å |
| 634 | Y | 79.1 | Confident | 73.1 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 18% | 0.18 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 151.6 | 166.3 | 66.3 | -95.6 | 0 | 0 | 0 | 114.6 | L622 I623 L631 R636 N647 | L622-Y634 HydrophobicContact CD1-CD2 4.07Å; L622-Y634 HydrophobicContact CD1-CG 4.49Å; I623-Y634 CarbonylContact O-C 3.09Å; I623-Y634 VanDerWaalsContact O-CA 3.23Å; I623-Y634 WeakPolarHBondContact O-CA 3.26Å; I623-Y634 WeakPolarHBondContact O-CB 3.34Å; L631-Y634 HydrophobicContact CD2-CD1 4.26Å; Y634-R636 HydrophobicContact CD2-CB 4.06Å; Y634-R636 HydrophobicContact CE2-CB 4.12Å; Y634-N647 HydrophobicContact CE1-CB 4Å; Y634-N647 HydrophobicContact CE2-CB 3.93Å; Y634-N647 PolarHBondContact N-O 3.01Å; Y634-N647 PolarHBondContact O-N 3.43Å; Y634-N647 PolarHBondContact OH-ND2 2.88Å; Y634-N647 VanDerWaalsContact OH-ND2 3.07Å |
| 635 | I | 76.9 | Confident | 72 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.3 | 170.4 | -51.4 | 170.9 | 0 | 0 | 0 | 107 | L622 I623 F625 W633 W644 L646 V676 A685 | L622-I635 WeakPolarHBondContact CA-O 3.28Å; I623-I635 HydrophobicContact CB-CB 4.36Å; I623-I635 PolarHBondContact N-O 2.67Å; I623-I635 PolarHBondContact O-N 2.73Å; F625-I635 HydrophobicContact CE2-CD1 4.06Å; F625-I635 HydrophobicContact CE2-CG1 4.31Å; W633-I635 HydrophobicContact CE3-CG1 4.41Å; W633-I635 HydrophobicContact CZ3-CD1 4.49Å; W633-I635 HydrophobicContact CZ3-CG1 4.18Å; I635-W644 HydrophobicContact CG2-CE3 3.98Å; I635-W644 HydrophobicContact CG2-CZ3 4.35Å; I635-L646 HydrophobicContact CG1-CD1 3.89Å; I635-V676 HydrophobicContact CD1-CG2 4.27Å; I635-A685 HydrophobicContact CD1-CB 3.97Å |
| 636 | R | 79.5 | Confident | 70.8 | Confident | 95 Ų | 95 | 51 Ų | 51 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.3 | 176.4 | -174.9 | 177.1 | 176.3 | -178.6 | -1.3 | 111.4 | H620 S621 L622 Y634 V638 V645 | H620-R636 PolarHBondContact CD2-NH2 3.19Å; H620-R636 VanDerWaalsContact CD2-NH2 3.34Å; H620-R636 PolarHBondContact CE1-NH2 2.85Å; H620-R636 VanDerWaalsContact CE1-NH2 3.3Å; H620-R636 PolarHBondContact NE2-NH2 2.87Å; S621-R636 CarbonylContact O-C 3.56Å; S621-R636 WeakPolarHBondContact O-CA 3.34Å; L622-R636 HydrophobicContact CD1-CB 3.91Å; L622-R636 HydrophobicContact CD1-CG 4.17Å; Y634-R636 HydrophobicContact CD2-CB 4.06Å; Y634-R636 HydrophobicContact CE2-CB 4.12Å; R636-V638 HydrophobicContact CG-CG2 4.14Å; R636-V645 PolarHBondContact N-O 3.17Å; R636-V645 PolarHBondContact O-N 3.15Å |
| 637 | G | 74.6 | Confident | 69.9 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | H620 S621 W644 | H620-G637 WeakPolarHBondContact CA-O 3.24Å; S621-G637 PolarHBondContact N-O 3.31Å; S621-G637 PolarHBondContact O-N 2.83Å; G637-W644 VanDerWaalsContact CA-CE3 3.43Å |
| 638 | V | 72.3 | Confident | 68.9 | Low | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 96.7 | 170.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | R636 N641 K642 T643 V645 | R636-V638 HydrophobicContact CG-CG2 4.14Å; V638-N641 HydrophobicContact CG1-CB 4.33Å; V638-K642 PolarHBondContact O-N 3.05Å; V638-T643 PolarHBondContact N-O 3.44Å; V638-T643 PolarHBondContact O-N 2.75Å; V638-V645 HydrophobicContact CG2-CG2 4.19Å |
| 639 | Y | 67.4 | Low | 67.8 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30 | -164.7 | -68.5 | -84.8 | 0 | 0 | 0 | 113.6 | L614 P618 R619 S621 K642 W644 M662 V666 | L614-Y639 HydrophobicContact CD1-CD1 4.32Å; L614-Y639 HydrophobicContact CD1-CE1 3.54Å; L614-Y639 HydrophobicContact CD2-CE1 3.72Å; L614-Y639 HydrophobicContact CD2-CE2 4.17Å; L614-Y639 VanDerWaalsContact CD2-CZ 3.46Å; L614-Y639 WeakPolarHBondContact CD2-OH 3.33Å; L614-Y639 HydrophobicContact CG-CE1 4.29Å; P618-Y639 HydrophobicContact CB-CD1 4.33Å; P618-Y639 HydrophobicContact CB-CD2 3.89Å; P618-Y639 HydrophobicContact CB-CE2 4.13Å; P618-Y639 HydrophobicContact CB-CG 4.05Å; P618-Y639 HydrophobicContact CG-CD1 3.75Å; P618-Y639 HydrophobicContact CG-CD2 4.15Å; P618-Y639 HydrophobicContact CG-CE1 4.19Å; P618-Y639 HydrophobicContact CG-CG 3.78Å; P618-Y639 VanDerWaalsContact O-CB 3.26Å; P618-Y639 WeakPolarHBondContact O-CB 3.45Å; R619-Y639 WeakPolarHBondContact O-CD2 3.49Å; R619-Y639 PolarHBondContact O-N 3.21Å; S621-Y639 WeakPolarHBondContact CB-OH 3.41Å; S621-Y639 PolarHBondContact OG-OH 2.77Å; Y639-K642 WeakPolarHBondContact O-CG 3.23Å; Y639-K642 PolarHBondContact O-N 2.86Å; Y639-W644 VanDerWaalsContact OH-CH2 3.22Å; Y639-W644 WeakPolarHBondContact OH-CH2 3.25Å; Y639-M662 HydrophobicContact CD1-CE 3.61Å; Y639-M662 HydrophobicContact CD1-SD 3.37Å; Y639-M662 WeakPolarHBondContact CD1-SD 3.21Å; Y639-M662 HydrophobicContact CE1-CE 3.23Å; Y639-M662 HydrophobicContact CE1-SD 3.3Å; Y639-M662 WeakPolarHBondContact CE1-SD 3.42Å; Y639-M662 HydrophobicContact CE2-CE 4.42Å; Y639-M662 HydrophobicContact CG-CE 4.33Å; Y639-M662 HydrophobicContact CG-SD 4.44Å; Y639-V666 HydrophobicContact CD1-CG2 3.87Å |
| 640 | E | 64.6 | Low | 66.6 | Low | 137 Ų | 137 | 43.9 Ų | 43.9 | 64% | 0.64 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -50.5 | 176.4 | -66.8 | 166.6 | 167 | 0 | 0 | 111.4 | K642 | E640-K642 PolarHBondContact O-N 2.87Š|
| 641 | N | 64 | Low | 64.8 | Low | 120 Ų | 120 | 46.3 Ų | 46.3 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.8 | 174.7 | -69.1 | -12.3 | 0 | 0 | 0 | 113.2 | V638 T643 | V638-N641 HydrophobicContact CG1-CB 4.33Å; N641-T643 VanDerWaalsContact C-N 3.3Å; N641-T643 HydrophobicContact CB-CG2 4.21Å; N641-T643 WeakPolarHBondContact CB-OG1 3.4Å; N641-T643 PolarHBondContact O-N 3.19Å |
| 642 | K | 65.4 | Low | 63.4 | Low | 120 Ų | 120 | 52.3 Ų | 52.3 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 50.9 | -166.9 | -58.1 | 179.5 | -177.3 | 179.4 | 0 | 111.2 | V638 Y639 E640 K661 M662 | V638-K642 PolarHBondContact O-N 3.05Å; Y639-K642 WeakPolarHBondContact O-CG 3.23Å; Y639-K642 PolarHBondContact O-N 2.86Å; E640-K642 PolarHBondContact O-N 2.87Å; K642-K661 CarbonylContact O-C 3.51Å; K642-K661 WeakPolarHBondContact O-CA 3.41Å; K642-M662 PolarHBondContact O-N 2.79Å |
| 643 | T | 61.3 | Low | 62.1 | Low | 25 Ų | 25 | 57.5 Ų | 57.5 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.1 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | V638 N641 R660 | V638-T643 PolarHBondContact N-O 3.44Å; V638-T643 PolarHBondContact O-N 2.75Å; N641-T643 VanDerWaalsContact C-N 3.3Å; N641-T643 HydrophobicContact CB-CG2 4.21Å; N641-T643 WeakPolarHBondContact CB-OG1 3.4Å; N641-T643 PolarHBondContact O-N 3.19Å; T643-R660 CarbonylContact C-O 3.54Å; T643-R660 WeakPolarHBondContact CA-O 3.34Å |
| 644 | W | 61.9 | Low | 60.4 | Low | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.3 | 153.6 | -66.3 | 113.3 | 0 | 0 | 0 | 108.4 | I635 G637 Y639 R660 M662 I664 I687 I692 F711 | I635-W644 HydrophobicContact CG2-CE3 3.98Å; I635-W644 HydrophobicContact CG2-CZ3 4.35Å; G637-W644 VanDerWaalsContact CA-CE3 3.43Å; Y639-W644 VanDerWaalsContact OH-CH2 3.22Å; Y639-W644 WeakPolarHBondContact OH-CH2 3.25Å; W644-R660 PolarHBondContact N-O 2.88Å; W644-R660 PolarHBondContact O-N 2.87Å; W644-M662 HydrophobicContact CD2-CE 3.75Å; W644-M662 HydrophobicContact CE3-CE 4.17Å; W644-M662 HydrophobicContact CG-CE 4.23Å; W644-M662 HydrophobicContact CH2-CE 4.21Å; W644-M662 HydrophobicContact CZ2-CE 3.8Å; W644-M662 HydrophobicContact CZ3-CE 4.38Å; W644-I664 HydrophobicContact CZ2-CD1 3.96Å; W644-I687 HydrophobicContact CD2-CD1 4.07Å; W644-I687 HydrophobicContact CE3-CD1 4.26Å; W644-I687 HydrophobicContact CH2-CD1 3.78Å; W644-I687 HydrophobicContact CZ2-CD1 3.54Å; W644-I687 HydrophobicContact CZ2-CG2 4Å; W644-I687 HydrophobicContact CZ3-CD1 4.13Å; W644-I692 HydrophobicContact CB-CD1 4Å; W644-I692 HydrophobicContact CD2-CD1 4.27Å; W644-I692 HydrophobicContact CG-CD1 3.79Å; W644-F711 HydrophobicContact CH2-CZ 4.25Å |
| 645 | V | 63.1 | Low | 58.7 | Low | 19 Ų | 19 | 65.8 Ų | 65.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.3 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | R636 V638 Y659 | R636-V645 PolarHBondContact N-O 3.17Å; R636-V645 PolarHBondContact O-N 3.15Å; V638-V645 HydrophobicContact CG2-CG2 4.19Å; V645-Y659 HydrophobicContact CG1-CD1 4.44Å; V645-Y659 HydrophobicContact CG1-CE1 4.14Å; V645-Y659 HydrophobicContact CG2-CD1 3.86Å; V645-Y659 HydrophobicContact CG2-CE1 3.87Å |
| 646 | L | 56.6 | Low | 57.3 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.9 | 172.7 | -157.7 | 77.4 | 0 | 0 | 0 | 108.7 | W633 I635 K657 R658 I692 Y693 | W633-L646 HydrophobicContact CE3-CD1 4.44Å; W633-L646 HydrophobicContact CH2-CD1 3.6Å; W633-L646 HydrophobicContact CH2-CD2 3.71Å; W633-L646 HydrophobicContact CH2-CG 3.86Å; W633-L646 HydrophobicContact CZ2-CD1 4.22Å; W633-L646 HydrophobicContact CZ2-CD2 3.74Å; W633-L646 HydrophobicContact CZ2-CG 3.98Å; W633-L646 HydrophobicContact CZ3-CD1 3.71Å; W633-L646 HydrophobicContact CZ3-CG 4.35Å; I635-L646 HydrophobicContact CG1-CD1 3.89Å; L646-K657 WeakPolarHBondContact O-CA 3.29Å; L646-R658 PolarHBondContact N-O 3.5Å; L646-R658 PolarHBondContact O-N 2.75Å; L646-I692 HydrophobicContact CD1-CG2 4.25Å; L646-I692 HydrophobicContact CD2-CG2 4.47Å; L646-Y693 VanDerWaalsContact CD2-CB 3.47Å; L646-Y693 HydrophobicContact CD2-CD1 3.95Å; L646-Y693 HydrophobicContact CD2-CD2 3.66Å; L646-Y693 HydrophobicContact CD2-CG 3.32Å |
| 647 | N | 60.7 | Low | 56 | Low | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 136.9 | 177 | -163.6 | 41 | 0 | 0 | 0 | 112.1 | Y634 K657 | Y634-N647 HydrophobicContact CE1-CB 4Å; Y634-N647 HydrophobicContact CE2-CB 3.93Å; Y634-N647 PolarHBondContact N-O 3.01Å; Y634-N647 PolarHBondContact O-N 3.43Å; Y634-N647 PolarHBondContact OH-ND2 2.88Å; Y634-N647 VanDerWaalsContact OH-ND2 3.07Å; N647-K657 HydrophobicContact CB-CG 4.43Å; N647-K657 WeakPolarHBondContact OD1-CG 3.46Å; N647-K657 PolarHBondContact OD1-N 3.2Å |
| 648 | S | 55.1 | Low | 54.9 | Low | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 154 | 165.3 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 649 | Q | 52.3 | Low | 53.9 | Low | 103 Ų | 103 | 82.1 Ų | 82.1 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -124.1 | 79 | 155.9 | -72.6 | -171 | -99.4 | 0 | 0 | 107.2 | V632 | V632-Q649 PolarHBondContact O-N 2.87Š| ||
| 650 | I | 47.9 | Very low | 53.5 | Low | 38 Ų | 38 | 87.4 Ų | 87.4 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | trans | -86.5 | 124.7 | 164.9 | -64.3 | 166.5 | 0 | 0 | 0 | 105.4 | N652 V696 | I650-N652 PolarHBondContact O-N 2.81Å; I650-V696 HydrophobicContact CD1-CG1 3.93Å | ||
| 651 | E | 38.4 | Very low | 53.3 | Low | 153 Ų | 153 | 88.3 Ų | 88.3 | 72% | 0.715 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 133.1 | 177.1 | -68.3 | -177.9 | 111.4 | 0 | 0 | 109.9 | ||
| 652 | N | 47.3 | Very low | 53.1 | Low | 169 Ų | 169 | 83 Ų | 83 | 90% | 0.904 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -12.6 | 179.3 | -45.9 | -68.4 | 0 | 0 | 0 | 118.3 | I650 | I650-N652 PolarHBondContact O-N 2.81Š|
| 653 | D | 42.3 | Very low | 52.9 | Low | 128 Ų | 128 | 84.1 Ų | 84.1 | 68% | 0.684 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -113.3 | 150.1 | 175.4 | -94.6 | -55.2 | 0 | 0 | 0 | 113.9 | ||
| 654 | L | 37.4 | Very low | 52.8 | Low | 155 Ų | 155 | 84 Ų | 84 | 81% | 0.812 | 40% | 0.4 | S | S | * | . | trans | -58.5 | 124.4 | -173.5 | -80.5 | 164.7 | 0 | 0 | 0 | 111.4 | V656 | L654-V656 WeakPolarHBondContact O-CG2 3.35Å; L654-V656 PolarHBondContact O-N 2.84Å | ||
| 655 | P | 43 | Very low | 52.5 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | trans | -63.4 | 110.6 | -175 | 23.8 | -33.8 | 0 | 0 | 0 | 111.1 | K657 | P655-K657 PolarHBondContact O-N 2.89Š| ||
| 656 | V | 47.8 | Very low | 52.2 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 39% | 0.394 | 44% | 0.44 | S | S | . | . | trans | -77.3 | 71.9 | -171.1 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | L654 R658 | L654-V656 WeakPolarHBondContact O-CG2 3.35Å; L654-V656 PolarHBondContact O-N 2.84Å; V656-R658 HydrophobicContact CG1-CG 4.12Å; V656-R658 PolarHBondContact O-N 2.8Å; V656-R658 VanDerWaalsContact O-N 3.1Å | ||
| 657 | K | 51.7 | Low | 52 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | trans | -62.6 | 109.2 | 173.5 | -70.2 | 179.5 | -177.1 | 171.9 | 0 | 110.1 | L646 N647 P655 Y659 | L646-K657 WeakPolarHBondContact O-CA 3.29Å; N647-K657 HydrophobicContact CB-CG 4.43Å; N647-K657 WeakPolarHBondContact OD1-CG 3.46Å; N647-K657 PolarHBondContact OD1-N 3.2Å; P655-K657 PolarHBondContact O-N 2.89Å; K657-Y659 HydrophobicContact CB-CE2 3.98Å | ||
| 658 | R | 53.1 | Low | 51.6 | Low | 130 Ų | 130 | 98.1 Ų | 98.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | 171.2 | -67.1 | -174.3 | -171.5 | -158.8 | 14.5 | 110.2 | L646 V656 Y693 | L646-R658 PolarHBondContact N-O 3.5Å; L646-R658 PolarHBondContact O-N 2.75Å; V656-R658 HydrophobicContact CG1-CG 4.12Å; V656-R658 PolarHBondContact O-N 2.8Å; V656-R658 VanDerWaalsContact O-N 3.1Å; R658-Y693 PolarHBondContact NH1-OH 2.84Å; R658-Y693 PolarHBondContact NH2-OH 2.94Å |
| 659 | Y | 50.9 | Low | 51.6 | Low | 147 Ų | 147 | 104.4 Ų | 104.4 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.5 | -177.8 | -63 | -97.8 | 0 | 0 | 0 | 108.9 | V645 K657 | V645-Y659 HydrophobicContact CG1-CD1 4.44Å; V645-Y659 HydrophobicContact CG1-CE1 4.14Å; V645-Y659 HydrophobicContact CG2-CD1 3.86Å; V645-Y659 HydrophobicContact CG2-CE1 3.87Å; K657-Y659 HydrophobicContact CB-CE2 3.98Å |
| 660 | R | 58.6 | Low | 52.2 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.1 | 168.4 | -106.4 | -160.9 | -164.6 | -153.9 | 13.3 | 110.6 | T643 W644 T691 I692 | T643-R660 CarbonylContact C-O 3.54Å; T643-R660 WeakPolarHBondContact CA-O 3.34Å; W644-R660 PolarHBondContact N-O 2.88Å; W644-R660 PolarHBondContact O-N 2.87Å; R660-T691 PolarHBondContact NH1-O 3.13Å; R660-T691 PolarHBondContact NH2-O 3.16Å; R660-I692 PolarHBondContact NE-O 2.84Å; R660-I692 PolarHBondContact NH2-O 2.89Å |
| 661 | K | 60.2 | Low | 53.3 | Low | 156 Ų | 156 | 105.6 Ų | 105.6 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.2 | 170.2 | -164.2 | 176.7 | -176.6 | -178.7 | 0 | 109.7 | K642 | K642-K661 CarbonylContact O-C 3.51Å; K642-K661 WeakPolarHBondContact O-CA 3.41Å |
| 662 | M | 61 | Low | 54.8 | Low | 7 Ų | 7 | 98.5 Ų | 98.5 | 3% | 0.034 | 50% | 0.496 | C | S | . | . | trans | -91.8 | 125.7 | 175.7 | 177.9 | -167.6 | -68.2 | 0 | 0 | 108.7 | Y639 K642 W644 I664 V666 | Y639-M662 HydrophobicContact CD1-CE 3.61Å; Y639-M662 HydrophobicContact CD1-SD 3.37Å; Y639-M662 WeakPolarHBondContact CD1-SD 3.21Å; Y639-M662 HydrophobicContact CE1-CE 3.23Å; Y639-M662 HydrophobicContact CE1-SD 3.3Å; Y639-M662 WeakPolarHBondContact CE1-SD 3.42Å; Y639-M662 HydrophobicContact CE2-CE 4.42Å; Y639-M662 HydrophobicContact CG-CE 4.33Å; Y639-M662 HydrophobicContact CG-SD 4.44Å; K642-M662 PolarHBondContact O-N 2.79Å; W644-M662 HydrophobicContact CD2-CE 3.75Å; W644-M662 HydrophobicContact CE3-CE 4.17Å; W644-M662 HydrophobicContact CG-CE 4.23Å; W644-M662 HydrophobicContact CH2-CE 4.21Å; W644-M662 HydrophobicContact CZ2-CE 3.8Å; W644-M662 HydrophobicContact CZ3-CE 4.38Å; M662-I664 HydrophobicContact CG-CB 4.07Å; M662-I664 HydrophobicContact CG-CD1 4.46Å; M662-I664 HydrophobicContact CG-CG1 4.23Å; M662-V666 HydrophobicContact SD-CG2 4.48Å | ||
| 663 | E | 61.1 | Low | 56.3 | Low | 145 Ų | 145 | 93.5 Ų | 93.5 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | trans | -102.8 | -3.2 | 179.7 | -52.7 | -169.6 | 138 | 0 | 0 | 113.1 | A665 Q690 | E663-A665 PolarHBondContact O-N 2.92Å; E663-Q690 PolarHBondContact OE2-NE2 2.86Å | ||
| 664 | I | 59.1 | Low | 58 | Low | 22 Ų | 22 | 87.4 Ų | 87.4 | 11% | 0.113 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -59 | 126.2 | 173.4 | -54.6 | 175.4 | 0 | 0 | 0 | 109.3 | L614 W644 M662 V666 F672 I687 | L614-I664 HydrophobicContact CD1-CG2 4.15Å; W644-I664 HydrophobicContact CZ2-CD1 3.96Å; M662-I664 HydrophobicContact CG-CB 4.07Å; M662-I664 HydrophobicContact CG-CD1 4.46Å; M662-I664 HydrophobicContact CG-CG1 4.23Å; I664-V666 PolarHBondContact O-N 2.79Å; I664-F672 HydrophobicContact CD1-CD2 4.43Å; I664-F672 HydrophobicContact CD1-CE1 4.42Å; I664-F672 HydrophobicContact CD1-CE2 4.09Å; I664-F672 HydrophobicContact CD1-CZ 4.09Å; I664-F672 HydrophobicContact CG2-CE1 4.41Å; I664-I687 HydrophobicContact CD1-CG2 3.85Å |
| 665 | A | 55.6 | Low | 60 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | trans | -72.4 | 90.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E663 G667 | E663-A665 PolarHBondContact O-N 2.92Å; A665-G667 PolarHBondContact O-N 3.1Å; A665-G667 VanDerWaalsContact O-N 3.1Å | ||
| 666 | V | 55 | Low | 61.5 | Low | 59 Ų | 59 | 79.3 Ų | 79.3 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 112.9 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | P618 Y639 M662 I664 | P618-V666 HydrophobicContact CG-CG1 3.9Å; Y639-V666 HydrophobicContact CD1-CG2 3.87Å; M662-V666 HydrophobicContact SD-CG2 4.48Å; I664-V666 PolarHBondContact O-N 2.79Å |
| 667 | G | 53.5 | Low | 62.8 | Low | 66 Ų | 66 | 77.5 Ų | 77.5 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.3 | -6.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | A665 | A665-G667 PolarHBondContact O-N 3.1Å; A665-G667 VanDerWaalsContact O-N 3.1Å |
| 668 | Q | 52.3 | Low | 63.7 | Low | 134 Ų | 134 | 72.5 Ų | 72.5 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -116.3 | 137.7 | 169.8 | -68.1 | -176.5 | -17.6 | 0 | 0 | 110.6 | R670 | Q668-R670 PolarHBondContact O-N 2.88Š|
| 669 | E | 55.7 | Low | 64.2 | Low | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | trans | -72.5 | 61.8 | 166.9 | -68.5 | -171.8 | 146.8 | 0 | 0 | 110.2 | P616 | P616-E669 WeakPolarHBondContact CD-OE1 3.15Å; P616-E669 HydrophobicContact CG-CG 4.08Å; P616-E669 WeakPolarHBondContact CG-OE1 3.35Å | ||
| 670 | R | 64.4 | Low | 64.7 | Low | 97 Ų | 97 | 65.4 Ų | 65.4 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | trans | -86.9 | 126.6 | 173.6 | 179.7 | 166.1 | 171.5 | -114.8 | -18.7 | 108.7 | S613 Q668 F672 D688 | S613-R670 WeakPolarHBondContact CA-O 3.22Å; S613-R670 WeakPolarHBondContact CB-O 3.45Å; Q668-R670 PolarHBondContact O-N 2.88Å; R670-F672 WeakPolarHBondContact O-CD1 3.43Å; R670-D688 IonicContact CZ-OD1 3.07Å; R670-D688 IonicContact CZ-OD2 2.7Å; R670-D688 IonicContact NH1-OD1 2.74Å; R670-D688 IonicContact NH1-OD2 3.61Å; R670-D688 PolarHBondContact NH1-OD2 2.92Å; R670-D688 VanDerWaalsContact NH2-CG 3.26Å; R670-D688 IonicContact NH2-OD1 2.69Å; R670-D688 PolarHBondContact NH2-OD1 2.93Å; R670-D688 IonicContact NH2-OD2 3.3Å; R670-D688 PolarHBondContact NH2-OD2 2.91Å | ||
| 671 | I | 70.3 | Confident | 64.4 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 36% | 0.359 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 134.3 | 167.1 | -54.9 | 178.4 | 0 | 0 | 0 | 108 | Q611 V612 Y714 | Q611-I671 HydrophobicContact CG-CG2 3.29Å; V612-I671 CarbonylContact O-C 3.46Å; V612-I671 WeakPolarHBondContact O-CA 3.46Å; I671-Y714 HydrophobicContact CD1-CD2 4.18Å; I671-Y714 HydrophobicContact CD1-CE1 4.31Å; I671-Y714 HydrophobicContact CD1-CE2 3.86Å; I671-Y714 HydrophobicContact CG1-CD2 4.29Å; I671-Y714 HydrophobicContact CG1-CE2 3.72Å; I671-Y714 HydrophobicContact CG2-CD2 4.25Å; I671-Y714 HydrophobicContact CG2-CE2 4.4Å |
| 672 | F | 69.7 | Low | 64.3 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 160 | 173.4 | 56.6 | -91.1 | 0 | 0 | 0 | 110.6 | V612 L614 I664 R670 V674 I687 D688 F711 | V612-F672 HydrophobicContact CG2-CD2 3.9Å; V612-F672 HydrophobicContact CG2-CE2 3.56Å; V612-F672 HydrophobicContact CG2-CZ 4Å; V612-F672 PolarHBondContact N-O 3.07Å; V612-F672 PolarHBondContact O-N 3.1Å; L614-F672 HydrophobicContact CD1-CE1 3.86Å; L614-F672 HydrophobicContact CD1-CZ 3.98Å; L614-F672 HydrophobicContact CD2-CZ 4.41Å; L614-F672 HydrophobicContact CG-CE1 3.76Å; L614-F672 HydrophobicContact CG-CZ 3.82Å; I664-F672 HydrophobicContact CD1-CD2 4.43Å; I664-F672 HydrophobicContact CD1-CE1 4.42Å; I664-F672 HydrophobicContact CD1-CE2 4.09Å; I664-F672 HydrophobicContact CD1-CZ 4.09Å; I664-F672 HydrophobicContact CG2-CE1 4.41Å; R670-F672 WeakPolarHBondContact O-CD1 3.43Å; F672-V674 HydrophobicContact CD2-CG2 4.37Å; F672-V674 HydrophobicContact CE2-CG2 4.25Å; F672-I687 HydrophobicContact CD2-CG2 3.82Å; F672-I687 HydrophobicContact CE2-CG2 3.78Å; F672-D688 HydrophobicContact CB-CB 3.88Å; F672-D688 HydrophobicContact CG-CB 4.44Å; F672-F711 HydrophobicContact CE2-CE1 4.32Å; F672-F711 HydrophobicContact CZ-CE1 4.08Å |
| 673 | N | 79.5 | Confident | 64.2 | Low | 64 Ų | 64 | 59.6 Ų | 59.6 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.3 | -177.2 | -61.2 | -9.8 | 0 | 0 | 0 | 110.2 | Y609 L610 D688 | Y609-N673 HydrophobicContact CE2-CB 3.87Å; Y609-N673 VanDerWaalsContact OH-CG 3.3Å; Y609-N673 PolarHBondContact OH-ND2 2.94Å; Y609-N673 VanDerWaalsContact OH-ND2 3.09Å; Y609-N673 PolarHBondContact OH-OD1 3.37Å; L610-N673 CarbonylContact O-C 3.58Å; L610-N673 WeakPolarHBondContact O-CA 3.45Å; N673-D688 PolarHBondContact O-N 3.35Å |
| 674 | V | 77.5 | Confident | 64.5 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.2 | 167.9 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | L610 V612 I623 F672 V676 T686 I687 | L610-V674 HydrophobicContact CB-CB 4.18Å; L610-V674 HydrophobicContact CD1-CB 4.32Å; L610-V674 HydrophobicContact CD1-CG1 4.39Å; L610-V674 PolarHBondContact N-O 2.81Å; L610-V674 PolarHBondContact O-N 2.87Å; V612-V674 HydrophobicContact CG2-CG2 4.02Å; I623-V674 HydrophobicContact CD1-CG1 4Å; F672-V674 HydrophobicContact CD2-CG2 4.37Å; F672-V674 HydrophobicContact CE2-CG2 4.25Å; V674-V676 HydrophobicContact CG1-CG2 4.15Å; V674-T686 WeakPolarHBondContact CA-O 3.47Å; V674-I687 HydrophobicContact CG1-CG1 4.07Å; V674-I687 HydrophobicContact CG2-CB 4.43Å; V674-I687 HydrophobicContact CG2-CD1 4.34Å; V674-I687 HydrophobicContact CG2-CG1 4.03Å; V674-I687 HydrophobicContact CG2-CG2 4.03Å |
| 675 | T | 79.3 | Confident | 65 | Low | 52 Ų | 52 | 54.4 Ų | 54.4 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.6 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 108.4 | I607 L608 T686 | I607-T675 HydrophobicContact CG2-CG2 3.83Å; L608-T675 CarbonylContact O-C 3.55Å; L608-T675 WeakPolarHBondContact O-CA 3.43Å; T675-T686 PolarHBondContact N-O 2.74Å; T675-T686 PolarHBondContact O-N 3.01Å |
| 676 | V | 75.9 | Confident | 65.7 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 114.1 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | I607 L608 F625 I635 V674 L678 V683 K684 A685 | I607-V676 WeakPolarHBondContact CA-O 3.39Å; L608-V676 HydrophobicContact CB-CB 4.38Å; L608-V676 PolarHBondContact N-O 2.89Å; L608-V676 PolarHBondContact O-N 3.42Å; F625-V676 HydrophobicContact CE1-CB 4.46Å; F625-V676 HydrophobicContact CE1-CG1 4.13Å; F625-V676 HydrophobicContact CZ-CB 4.12Å; F625-V676 HydrophobicContact CZ-CG1 3.85Å; F625-V676 HydrophobicContact CZ-CG2 4.01Å; I635-V676 HydrophobicContact CD1-CG2 4.27Å; V674-V676 HydrophobicContact CG1-CG2 4.15Å; V676-L678 HydrophobicContact CG1-CD2 4.29Å; V676-V683 HydrophobicContact CG1-CG1 3.93Å; V676-K684 WeakPolarHBondContact CA-O 3.45Å; V676-A685 HydrophobicContact CG1-CB 4.2Å; V676-A685 HydrophobicContact CG2-CB 3.87Å |
| 677 | A | 74.4 | Confident | 66.4 | Low | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 133.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | I607 K684 | I607-A677 HydrophobicContact CG1-CB 4.07Å; A677-K684 PolarHBondContact N-O 2.77Å; A677-K684 PolarHBondContact O-N 3.2Å |
| 678 | L | 70.1 | Confident | 67.1 | Low | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.8 | 177 | -56.8 | 170.5 | 0 | 0 | 0 | 106.9 | F599 K605 Q606 V676 N682 V683 V702 | F599-L678 HydrophobicContact CE1-CD1 4.41Å; F599-L678 HydrophobicContact CE2-CD1 4.11Å; F599-L678 HydrophobicContact CZ-CD1 3.86Å; K605-L678 CarbonylContact C-O 3.6Å; K605-L678 VanDerWaalsContact CA-O 3.26Å; K605-L678 WeakPolarHBondContact CA-O 3.41Å; Q606-L678 HydrophobicContact CB-CB 4.25Å; Q606-L678 HydrophobicContact CB-CD1 4.3Å; Q606-L678 PolarHBondContact N-O 2.83Å; Q606-L678 PolarHBondContact O-N 2.85Å; V676-L678 HydrophobicContact CG1-CD2 4.29Å; L678-N682 WeakPolarHBondContact CA-O 3.08Å; L678-V683 HydrophobicContact CD2-CB 4.25Å; L678-V683 HydrophobicContact CD2-CG1 3.81Å; L678-V683 HydrophobicContact CD2-CG2 3.74Å; L678-V702 HydrophobicContact CD1-CB 4Å; L678-V702 HydrophobicContact CD1-CG1 4.14Å; L678-V702 HydrophobicContact CD1-CG2 4.18Å; L678-V702 HydrophobicContact CD2-CG2 4.43Å |
| 679 | D | 64.4 | Low | 67.6 | Low | 69 Ų | 69 | 46.9 Ų | 46.9 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 81.5 | -171.2 | -173.4 | 5 | 0 | 0 | 0 | 110.9 | K605 M681 N682 | K605-D679 WeakPolarHBondContact CD-OD1 3.33Å; K605-D679 WeakPolarHBondContact CE-OD1 3.16Å; K605-D679 WeakPolarHBondContact CG-OD1 3.36Å; K605-D679 IonicContact NZ-OD1 2.66Å; K605-D679 PolarHBondContact NZ-OD1 2.8Å; K605-D679 IonicContact NZ-OD2 2.67Å; K605-D679 PolarHBondContact NZ-OD2 2.9Å; D679-M681 PolarHBondContact O-N 2.83Å; D679-N682 HydrophobicContact CB-CB 4.29Å; D679-N682 PolarHBondContact N-O 2.64Å; D679-N682 PolarHBondContact O-N 3.44Å |
| 680 | G | 60 | Low | 67.9 | Low | 59 Ų | 59 | 42.3 Ų | 42.3 | 61% | 0.608 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -97.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 681 | M | 52.2 | Low | 67.9 | Low | 96 Ų | 96 | 39.8 Ų | 39.8 | 47% | 0.473 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -28.8 | 173.8 | -60.9 | -168.6 | 174.2 | 0 | 0 | 112.9 | D679 D697 L698 | D679-M681 PolarHBondContact O-N 2.83Å; M681-D697 HydrophobicContact SD-CB 4.12Å; M681-L698 WeakPolarHBondContact CG-O 3.02Å; M681-L698 PolarHBondContact O-N 3.26Å |
| 682 | N | 58.9 | Low | 67.5 | Low | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.5 | -169.6 | -76.4 | -49.5 | 0 | 0 | 0 | 113.8 | L678 D679 I695 | L678-N682 WeakPolarHBondContact CA-O 3.08Å; D679-N682 HydrophobicContact CB-CB 4.29Å; D679-N682 PolarHBondContact N-O 2.64Å; D679-N682 PolarHBondContact O-N 3.44Å; N682-I695 WeakPolarHBondContact OD1-CA 3.34Å |
| 683 | V | 60 | Low | 66.9 | Low | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 111 | W633 V676 L678 L698 | W633-V683 HydrophobicContact CE3-CG1 4Å; W633-V683 HydrophobicContact CH2-CB 4.04Å; W633-V683 HydrophobicContact CH2-CG1 3.59Å; W633-V683 HydrophobicContact CZ2-CB 4.26Å; W633-V683 HydrophobicContact CZ2-CG1 4.25Å; W633-V683 HydrophobicContact CZ3-CB 4.34Å; W633-V683 HydrophobicContact CZ3-CG1 3.47Å; W633-V683 VanDerWaalsContact CZ3-CG1 3.47Å; V676-V683 HydrophobicContact CG1-CG1 3.93Å; L678-V683 HydrophobicContact CD2-CB 4.25Å; L678-V683 HydrophobicContact CD2-CG1 3.81Å; L678-V683 HydrophobicContact CD2-CG2 3.74Å; V683-L698 HydrophobicContact CG2-CD1 3.55Å; V683-L698 HydrophobicContact CG2-CG 4.24Å |
| 684 | K | 66.3 | Low | 65.5 | Low | 58 Ų | 58 | 40.5 Ų | 40.5 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.9 | 175.5 | -172.1 | -175.5 | -177.5 | -171.5 | 0 | 109.4 | D568 D569 V676 A677 T691 | D568-K684 PolarHBondContact O-NZ 2.91Å; D569-K684 IonicContact OD1-NZ 2.6Å; D569-K684 PolarHBondContact OD1-NZ 3.44Å; D569-K684 WeakPolarHBondContact OD2-CE 3.47Å; D569-K684 IonicContact OD2-NZ 3.92Å; D569-K684 PolarHBondContact OD2-NZ 3.14Å; V676-K684 WeakPolarHBondContact CA-O 3.45Å; A677-K684 PolarHBondContact N-O 2.77Å; A677-K684 PolarHBondContact O-N 3.2Å; K684-T691 HydrophobicContact CD-CG2 4.38Å; K684-T691 HydrophobicContact CG-CG2 3.78Å |
| 685 | A | 70.8 | Confident | 64.1 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I635 V676 T691 I692 | I635-A685 HydrophobicContact CD1-CB 3.97Å; V676-A685 HydrophobicContact CG1-CB 4.2Å; V676-A685 HydrophobicContact CG2-CB 3.87Å; A685-T691 CarbonylContact O-C 3.51Å; A685-T691 WeakPolarHBondContact O-CA 3.46Å; A685-I692 PolarHBondContact O-N 3.04Å |
| 686 | T | 70 | Confident | 62.7 | Low | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.5 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | V674 T675 Q690 T691 | V674-T686 WeakPolarHBondContact CA-O 3.47Å; T675-T686 PolarHBondContact N-O 2.74Å; T675-T686 PolarHBondContact O-N 3.01Å; T686-Q690 WeakPolarHBondContact CA-O 3.46Å; T686-T691 PolarHBondContact OG1-OG1 3.19Å; T686-T691 VanDerWaalsContact OG1-OG1 3.14Å |
| 687 | I | 69.8 | Low | 61.6 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.7 | -178.5 | -54.5 | -171.3 | 0 | 0 | 0 | 109.5 | W644 I664 F672 V674 N689 Q690 I692 | W644-I687 HydrophobicContact CD2-CD1 4.07Å; W644-I687 HydrophobicContact CE3-CD1 4.26Å; W644-I687 HydrophobicContact CH2-CD1 3.78Å; W644-I687 HydrophobicContact CZ2-CD1 3.54Å; W644-I687 HydrophobicContact CZ2-CG2 4Å; W644-I687 HydrophobicContact CZ3-CD1 4.13Å; I664-I687 HydrophobicContact CD1-CG2 3.85Å; F672-I687 HydrophobicContact CD2-CG2 3.82Å; F672-I687 HydrophobicContact CE2-CG2 3.78Å; V674-I687 HydrophobicContact CG1-CG1 4.07Å; V674-I687 HydrophobicContact CG2-CB 4.43Å; V674-I687 HydrophobicContact CG2-CD1 4.34Å; V674-I687 HydrophobicContact CG2-CG1 4.03Å; V674-I687 HydrophobicContact CG2-CG2 4.03Å; I687-N689 VanDerWaalsContact C-N 3.26Å; I687-N689 PolarHBondContact O-N 2.85Å; I687-Q690 PolarHBondContact N-O 2.82Å; I687-Q690 WeakPolarHBondContact O-CA 3.31Å; I687-Q690 VanDerWaalsContact O-CB 3.25Å; I687-Q690 WeakPolarHBondContact O-CB 3.28Å; I687-Q690 PolarHBondContact O-N 2.87Å; I687-I692 HydrophobicContact CD1-CD1 3.71Å; I687-I692 HydrophobicContact CG1-CD1 4.07Å |
| 688 | D | 68.1 | Low | 60.6 | Low | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.5 | -178.5 | -156.8 | 46.6 | 0 | 0 | 0 | 113 | R670 F672 N673 Q690 | R670-D688 IonicContact CZ-OD1 3.07Å; R670-D688 IonicContact CZ-OD2 2.7Å; R670-D688 IonicContact NH1-OD1 2.74Å; R670-D688 IonicContact NH1-OD2 3.61Å; R670-D688 PolarHBondContact NH1-OD2 2.92Å; R670-D688 VanDerWaalsContact NH2-CG 3.26Å; R670-D688 IonicContact NH2-OD1 2.69Å; R670-D688 PolarHBondContact NH2-OD1 2.93Å; R670-D688 IonicContact NH2-OD2 3.3Å; R670-D688 PolarHBondContact NH2-OD2 2.91Å; F672-D688 HydrophobicContact CB-CB 3.88Å; F672-D688 HydrophobicContact CG-CB 4.44Å; N673-D688 PolarHBondContact O-N 3.35Å; D688-Q690 PolarHBondContact O-N 2.85Å |
| 689 | N | 62.4 | Low | 60.1 | Low | 110 Ų | 110 | 52.9 Ų | 52.9 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 6.2 | -173.1 | -56.3 | 3.1 | 0 | 0 | 0 | 116 | I687 | I687-N689 VanDerWaalsContact C-N 3.26Å; I687-N689 PolarHBondContact O-N 2.85Å |
| 690 | Q | 62.6 | Low | 60 | Low | 41 Ų | 41 | 52 Ų | 52 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 94.8 | 170.5 | -52.3 | -158.2 | -55.6 | 0 | 0 | 111.4 | E663 T686 I687 D688 I692 | E663-Q690 PolarHBondContact OE2-NE2 2.86Å; T686-Q690 WeakPolarHBondContact CA-O 3.46Å; I687-Q690 PolarHBondContact N-O 2.82Å; I687-Q690 WeakPolarHBondContact O-CA 3.31Å; I687-Q690 VanDerWaalsContact O-CB 3.25Å; I687-Q690 WeakPolarHBondContact O-CB 3.28Å; I687-Q690 PolarHBondContact O-N 2.87Å; D688-Q690 PolarHBondContact O-N 2.85Å; Q690-I692 PolarHBondContact O-N 3.27Å |
| 691 | T | 63.5 | Low | 60.3 | Low | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 114.6 | 168.8 | -48.6 | 0 | 0 | 0 | 0 | 109.4 | R660 K684 A685 T686 | R660-T691 PolarHBondContact NH1-O 3.13Å; R660-T691 PolarHBondContact NH2-O 3.16Å; K684-T691 HydrophobicContact CD-CG2 4.38Å; K684-T691 HydrophobicContact CG-CG2 3.78Å; A685-T691 CarbonylContact O-C 3.51Å; A685-T691 WeakPolarHBondContact O-CA 3.46Å; T686-T691 PolarHBondContact OG1-OG1 3.19Å; T686-T691 VanDerWaalsContact OG1-OG1 3.14Å |
| 692 | I | 61.6 | Low | 61.4 | Low | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -80.9 | -37.6 | -173.3 | -66.5 | 179.6 | 0 | 0 | 0 | 111.8 | W644 L646 R660 A685 I687 Q690 | W644-I692 HydrophobicContact CB-CD1 4Å; W644-I692 HydrophobicContact CD2-CD1 4.27Å; W644-I692 HydrophobicContact CG-CD1 3.79Å; L646-I692 HydrophobicContact CD1-CG2 4.25Å; L646-I692 HydrophobicContact CD2-CG2 4.47Å; R660-I692 PolarHBondContact NE-O 2.84Å; R660-I692 PolarHBondContact NH2-O 2.89Å; A685-I692 PolarHBondContact O-N 3.04Å; I687-I692 HydrophobicContact CD1-CD1 3.71Å; I687-I692 HydrophobicContact CG1-CD1 4.07Å; Q690-I692 PolarHBondContact O-N 3.27Å | ||
| 693 | Y | 56.9 | Low | 62.3 | Low | 27 Ų | 27 | 45.5 Ų | 45.5 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | trans | -150.6 | 161.8 | -165.3 | -156.8 | -103.4 | 0 | 0 | 0 | 115.9 | W633 L646 R658 I695 V696 | W633-Y693 HydrophobicContact CH2-CD1 4.48Å; W633-Y693 HydrophobicContact CZ2-CD1 4.24Å; L646-Y693 VanDerWaalsContact CD2-CB 3.47Å; L646-Y693 HydrophobicContact CD2-CD1 3.95Å; L646-Y693 HydrophobicContact CD2-CD2 3.66Å; L646-Y693 HydrophobicContact CD2-CG 3.32Å; R658-Y693 PolarHBondContact NH1-OH 2.84Å; R658-Y693 PolarHBondContact NH2-OH 2.94Å; Y693-I695 VanDerWaalsContact CE1-O 3.22Å; Y693-I695 WeakPolarHBondContact CE1-O 3.45Å; Y693-I695 PolarHBondContact OH-O 2.84Å; Y693-V696 HydrophobicContact CD1-CG2 4.06Å; Y693-V696 HydrophobicContact CE1-CG2 3.32Å | ||
| 694 | D | 50.3 | Low | 63.2 | Low | 115 Ų | 115 | 45.8 Ų | 45.8 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | trans | -152.2 | 124.2 | -174.9 | -155.4 | 7.3 | 0 | 0 | 0 | 109.6 | ||||
| 695 | I | 49.1 | Very low | 64.1 | Low | 100 Ų | 100 | 43 Ų | 43 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | trans | 61.5 | 107.8 | 174.6 | -47.9 | 177.2 | 0 | 0 | 0 | 118.2 | N682 Y693 | N682-I695 WeakPolarHBondContact OD1-CA 3.34Å; Y693-I695 VanDerWaalsContact CE1-O 3.22Å; Y693-I695 WeakPolarHBondContact CE1-O 3.45Å; Y693-I695 PolarHBondContact OH-O 2.84Å | ||
| 696 | V | 50.5 | Low | 64.8 | Low | 26 Ų | 26 | 43.9 Ų | 43.9 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | trans | -141.2 | 136.1 | 157.1 | -171.5 | 0 | 0 | 0 | 0 | 107 | W633 I650 Y693 L698 | W633-V696 HydrophobicContact CZ2-CG2 4.43Å; I650-V696 HydrophobicContact CD1-CG1 3.93Å; Y693-V696 HydrophobicContact CD1-CG2 4.06Å; Y693-V696 HydrophobicContact CE1-CG2 3.32Å; V696-L698 PolarHBondContact O-N 2.78Å | ||
| 697 | D | 51.6 | Low | 65.6 | Low | 102 Ų | 102 | 42.9 Ų | 42.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | trans | -77.1 | 105.7 | 177.9 | -67.6 | -47.3 | 0 | 0 | 0 | 112.7 | M681 T699 | M681-D697 HydrophobicContact SD-CB 4.12Å; D697-T699 PolarHBondContact O-N 2.88Å | ||
| 698 | L | 53.6 | Low | 66.3 | Low | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -80 | 112.1 | 166.7 | -72 | 179.1 | 0 | 0 | 0 | 111 | V632 M681 V683 V696 V700 V702 | V632-L698 HydrophobicContact CB-CD2 4.21Å; V632-L698 HydrophobicContact CG2-CD2 4.38Å; M681-L698 WeakPolarHBondContact CG-O 3.02Å; M681-L698 PolarHBondContact O-N 3.26Å; V683-L698 HydrophobicContact CG2-CD1 3.55Å; V683-L698 HydrophobicContact CG2-CG 4.24Å; V696-L698 PolarHBondContact O-N 2.78Å; L698-V700 VanDerWaalsContact C-N 3.28Å; L698-V700 PolarHBondContact O-N 2.87Å; L698-V702 HydrophobicContact CD1-CG2 3.93Å | ||
| 699 | T | 58.7 | Low | 67 | Low | 114 Ų | 114 | 44.6 Ų | 44.6 | 70% | 0.699 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -72.4 | -16.4 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | D697 | D697-T699 PolarHBondContact O-N 2.88Š|
| 700 | V | 63.8 | Low | 68 | Low | 50 Ų | 50 | 41.5 Ų | 41.5 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -132.6 | 130.9 | -178 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | A627 L698 | A627-V700 HydrophobicContact CB-CB 4.02Å; A627-V700 HydrophobicContact CB-CG1 3.84Å; L698-V700 VanDerWaalsContact C-N 3.28Å; L698-V700 PolarHBondContact O-N 2.87Å |
| 701 | P | 66.6 | Low | 68.8 | Low | 49 Ų | 49 | 39.6 Ų | 39.6 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -68 | 142.2 | -178.1 | 25.7 | -34.6 | 0 | 0 | 0 | 113.5 | P602 A627 T703 | P602-P701 HydrophobicContact CB-CB 4.08Å; P602-P701 HydrophobicContact CB-CG 4.31Å; P602-P701 WeakPolarHBondContact O-CB 3.15Å; A627-P701 WeakPolarHBondContact CA-O 3.32Å; A627-P701 WeakPolarHBondContact CB-O 3.41Å; P701-T703 PolarHBondContact O-N 3.43Å | ||
| 702 | V | 74.7 | Confident | 69.5 | Low | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | trans | -70.7 | 127.7 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | F599 Q606 F625 Y626 V632 L678 L698 | F599-V702 HydrophobicContact CD2-CG1 4.04Å; F599-V702 HydrophobicContact CE2-CG1 3.72Å; Q606-V702 PolarHBondContact NE2-O 3.36Å; F625-V702 HydrophobicContact CB-CG1 4.14Å; F625-V702 HydrophobicContact CD1-CG1 4.25Å; Y626-V702 WeakPolarHBondContact O-CG1 3.33Å; V632-V702 HydrophobicContact CG2-CG2 4.45Å; L678-V702 HydrophobicContact CD1-CB 4Å; L678-V702 HydrophobicContact CD1-CG1 4.14Å; L678-V702 HydrophobicContact CD1-CG2 4.18Å; L678-V702 HydrophobicContact CD2-CG2 4.43Å; L698-V702 HydrophobicContact CD1-CG2 3.93Å | ||
| 703 | T | 77.2 | Confident | 70.4 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | trans | -100.9 | -26.4 | 179 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | K598 F599 P602 Y626 N628 P701 | K598-T703 WeakPolarHBondContact CA-O 3.35Å; F599-T703 PolarHBondContact N-O 2.7Å; P602-T703 HydrophobicContact CB-CG2 4.02Å; P602-T703 HydrophobicContact CG-CG2 4.46Å; Y626-T703 PolarHBondContact O-N 2.75Å; Y626-T703 PolarHBondContact O-OG1 2.87Å; N628-T703 PolarHBondContact N-OG1 2.82Å; N628-T703 WeakPolarHBondContact OD1-CG2 3.29Å; P701-T703 PolarHBondContact O-N 3.43Å | ||
| 704 | S | 79.3 | Confident | 71.4 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 159.1 | -175.7 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | T597 Y626 | T597-S704 CarbonylContact O-C 3.3Å; T597-S704 VanDerWaalsContact O-CA 3.29Å; T597-S704 WeakPolarHBondContact O-CA 3.32Å; T597-S704 WeakPolarHBondContact O-CB 3.25Å; Y626-S704 PolarHBondContact N-O 3.5Å; Y626-S704 PolarHBondContact O-N 3.21Å; Y626-S704 VanDerWaalsContact O-N 3.1Å |
| 705 | V | 85 | Confident | 72.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.5 | 174.5 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | T596 T597 F599 L608 I623 Q624 F625 | T596-V705 CarbonylContact C-O 3.56Å; T596-V705 VanDerWaalsContact CA-O 3.3Å; T596-V705 WeakPolarHBondContact CA-O 3.5Å; T597-V705 PolarHBondContact N-O 3.23Å; T597-V705 PolarHBondContact O-N 3.5Å; F599-V705 HydrophobicContact CE2-CB 4.13Å; F599-V705 HydrophobicContact CE2-CG1 4.18Å; F599-V705 HydrophobicContact CZ-CB 4.38Å; F599-V705 HydrophobicContact CZ-CG1 4.14Å; L608-V705 HydrophobicContact CD1-CG1 3.84Å; L608-V705 HydrophobicContact CD2-CB 4.25Å; L608-V705 HydrophobicContact CD2-CG1 3.87Å; L608-V705 HydrophobicContact CD2-CG2 3.74Å; L608-V705 HydrophobicContact CG-CG1 4.45Å; I623-V705 HydrophobicContact CG2-CG2 3.66Å; Q624-V705 CarbonylContact O-C 3.6Å; Q624-V705 VanDerWaalsContact O-CA 3.25Å; Q624-V705 WeakPolarHBondContact O-CA 2.8Å; Q624-V705 WeakPolarHBondContact O-CG2 3.38Å; F625-V705 HydrophobicContact CD1-CB 4.06Å; F625-V705 HydrophobicContact CD1-CG2 3.83Å; F625-V705 HydrophobicContact CE1-CB 4.12Å; F625-V705 HydrophobicContact CE1-CG2 3.62Å; F625-V705 HydrophobicContact CG-CG2 4.38Å; F625-V705 HydrophobicContact CZ-CG2 3.99Å |
| 706 | T | 85.5 | Confident | 74.2 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.4 | 170.1 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | P594 I595 T596 I623 Q624 | P594-T706 HydrophobicContact CB-CG2 4.38Å; I595-T706 CarbonylContact O-C 3.51Å; I595-T706 VanDerWaalsContact O-CA 3.3Å; I595-T706 WeakPolarHBondContact O-CA 2.92Å; T596-T706 WeakPolarHBondContact CG2-OG1 3.36Å; T596-T706 WeakPolarHBondContact OG1-CG2 3.33Å; T596-T706 PolarHBondContact OG1-OG1 2.93Å; I623-T706 CarbonylContact C-O 3.49Å; I623-T706 WeakPolarHBondContact CA-O 3.47Å; Q624-T706 PolarHBondContact N-O 2.85Å; Q624-T706 PolarHBondContact O-N 2.85Å |
| 707 | V | 85.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L593 P594 I595 L610 I623 F711 I716 | L593-V707 HydrophobicContact CD2-CB 4.43Å; L593-V707 HydrophobicContact CD2-CG1 4.24Å; P594-V707 VanDerWaalsContact CA-O 3.29Å; P594-V707 WeakPolarHBondContact CA-O 3.27Å; I595-V707 HydrophobicContact CG2-CB 4.06Å; I595-V707 PolarHBondContact N-O 3.22Å; I595-V707 PolarHBondContact O-N 2.86Å; L610-V707 HydrophobicContact CD1-CG1 4.37Å; L610-V707 HydrophobicContact CD1-CG2 3.64Å; L610-V707 HydrophobicContact CD2-CG2 3.86Å; L610-V707 HydrophobicContact CG-CG2 4.43Å; I623-V707 HydrophobicContact CG1-CG1 4.42Å; I623-V707 HydrophobicContact CG1-CG2 4.45Å; I623-V707 HydrophobicContact CG2-CG2 4.33Å; V707-F711 HydrophobicContact CG1-CD2 4.01Å; V707-F711 HydrophobicContact CG1-CE2 4.36Å; V707-I716 HydrophobicContact CG2-CD1 4.39Å |
| 708 | D | 84.7 | Confident | 76.1 | Confident | 62 Ų | 62 | 33.3 Ų | 33.3 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 169.4 | -175.9 | -168.9 | 29.3 | 0 | 0 | 0 | 113.2 | P594 L622 | P594-D708 HydrophobicContact CB-CB 4Å; L622-D708 PolarHBondContact N-O 3.18Å; L622-D708 PolarHBondContact O-N 3.08Å |
| 709 | G | 83.4 | Confident | 76.4 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.6 | -150.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K615 H620 F711 | K615-G709 PolarHBondContact NZ-O 3.15Å; H620-G709 CarbonylContact O-C 3.48Å; H620-G709 WeakPolarHBondContact O-CA 3.31Å; G709-F711 PolarHBondContact O-N 3.27Å |
| 710 | D | 82.9 | Confident | 76.1 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -78.4 | 27 | -170.8 | -65.4 | -47.4 | 0 | 0 | 0 | 114.6 | K615 P618 R619 H620 | K615-D710 WeakPolarHBondContact CB-O 3.38Å; K615-D710 WeakPolarHBondContact CG-O 3.31Å; K615-D710 PolarHBondContact N-O 3.02Å; P618-D710 HydrophobicContact CB-CB 3.62Å; R619-D710 WeakPolarHBondContact CA-OD2 3.48Å; R619-D710 WeakPolarHBondContact CB-OD2 3.48Å; R619-D710 PolarHBondContact N-OD2 2.86Å; H620-D710 PolarHBondContact N-OD2 3.31Å; H620-D710 PolarHBondContact O-N 3.5Å |
| 711 | F | 80.3 | Confident | 75.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 152.7 | 165.5 | -64.7 | -57.2 | 0 | 0 | 0 | 112 | L593 V612 S613 L614 K615 S621 I623 W644 F672 V707 G709 | L593-F711 HydrophobicContact CD1-CB 3.71Å; L593-F711 WeakPolarHBondContact CD1-O 3.19Å; V612-F711 HydrophobicContact CB-CB 4.32Å; V612-F711 HydrophobicContact CB-CD1 3.81Å; V612-F711 HydrophobicContact CB-CE1 4.34Å; V612-F711 HydrophobicContact CB-CG 4.2Å; V612-F711 HydrophobicContact CG1-CB 4.1Å; V612-F711 HydrophobicContact CG1-CD1 4.13Å; V612-F711 HydrophobicContact CG1-CG 4.05Å; V612-F711 HydrophobicContact CG2-CD1 3.91Å; V612-F711 HydrophobicContact CG2-CE1 3.93Å; S613-F711 CarbonylContact O-C 3.58Å; S613-F711 VanDerWaalsContact O-CA 3.29Å; S613-F711 WeakPolarHBondContact O-CA 3.23Å; L614-F711 HydrophobicContact CD2-CD1 3.93Å; L614-F711 HydrophobicContact CD2-CE1 4.03Å; K615-F711 WeakPolarHBondContact CE-O 3.37Å; K615-F711 PolarHBondContact NZ-O 3.01Å; S621-F711 VanDerWaalsContact CB-CE2 3.47Å; S621-F711 VanDerWaalsContact CB-CZ 3.46Å; I623-F711 HydrophobicContact CD1-CE2 4.45Å; I623-F711 HydrophobicContact CG1-CE2 4.21Å; W644-F711 HydrophobicContact CH2-CZ 4.25Å; F672-F711 HydrophobicContact CE2-CE1 4.32Å; F672-F711 HydrophobicContact CZ-CE1 4.08Å; V707-F711 HydrophobicContact CG1-CD2 4.01Å; V707-F711 HydrophobicContact CG1-CE2 4.36Å; G709-F711 PolarHBondContact O-N 3.27Å |
| 712 | T | 78.3 | Confident | 73.6 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 109.5 | 153.7 | -52.9 | 0 | 0 | 0 | 0 | 105.9 | P590 V612 S613 Y714 | P590-T712 HydrophobicContact CB-CG2 3.63Å; P590-T712 HydrophobicContact CG-CG2 3.63Å; V612-T712 CarbonylContact C-O 3.47Å; V612-T712 VanDerWaalsContact CA-O 3.31Å; V612-T712 WeakPolarHBondContact CA-O 3.43Å; S613-T712 PolarHBondContact N-O 2.91Å; S613-T712 PolarHBondContact O-N 2.86Å; S613-T712 WeakPolarHBondContact OG-CB 3.42Å; T712-Y714 HydrophobicContact CG2-CE1 4.17Å; T712-Y714 HydrophobicContact CG2-CE2 4.14Å; T712-Y714 WeakPolarHBondContact O-CD2 3.21Å; T712-Y714 VanDerWaalsContact O-CE2 3.28Å; T712-Y714 WeakPolarHBondContact O-CE2 3.47Å |
| 713 | L | 80.6 | Confident | 71.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.6 | -179.2 | -178 | 71.8 | 0 | 0 | 0 | 110.1 | P590 L591 L593 I595 L610 V612 E715 I716 | P590-L713 CarbonylContact C-O 3.49Å; P590-L713 VanDerWaalsContact CA-O 3.24Å; P590-L713 WeakPolarHBondContact CA-O 3.38Å; L591-L713 HydrophobicContact CB-CB 4.22Å; L591-L713 HydrophobicContact CB-CD2 3.87Å; L591-L713 HydrophobicContact CB-CG 4.09Å; L591-L713 HydrophobicContact CD1-CD2 3.93Å; L591-L713 HydrophobicContact CD1-CG 4.12Å; L591-L713 PolarHBondContact N-O 2.88Å; L593-L713 HydrophobicContact CD1-CB 4.35Å; L593-L713 HydrophobicContact CD2-CB 3.88Å; L593-L713 HydrophobicContact CD2-CD2 3.77Å; L593-L713 HydrophobicContact CD2-CG 4.46Å; L593-L713 HydrophobicContact CG-CB 4.25Å; I595-L713 HydrophobicContact CB-CD2 4.44Å; I595-L713 HydrophobicContact CD1-CD2 4.47Å; I595-L713 HydrophobicContact CG2-CD2 3.49Å; I595-L713 VanDerWaalsContact CG2-CD2 3.49Å; L610-L713 HydrophobicContact CB-CD1 4.24Å; L610-L713 HydrophobicContact CD2-CD1 4.15Å; V612-L713 HydrophobicContact CG1-CB 4.37Å; V612-L713 HydrophobicContact CG1-CD1 3.5Å; V612-L713 VanDerWaalsContact CG1-CD1 3.5Å; L713-E715 VanDerWaalsContact CD1-O 3.25Å; L713-E715 WeakPolarHBondContact CD1-O 3.47Å; L713-I716 HydrophobicContact CD2-CB 4.21Å; L713-I716 HydrophobicContact CD2-CG2 4.23Å |
| 714 | Y | 77.4 | Confident | 68.7 | Low | 47 Ų | 47 | 55 Ų | 55 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -37.7 | 177.5 | -57.6 | -87.9 | 0 | 0 | 0 | 112 | V588 P590 Q611 S613 I671 T712 | V588-Y714 WeakPolarHBondContact CG1-O 3.45Å; P590-Y714 HydrophobicContact CG-CE1 4.49Å; Q611-Y714 PolarHBondContact O-N 3.44Å; S613-Y714 WeakPolarHBondContact OG-CE2 3.38Å; S613-Y714 PolarHBondContact OG-OH 3.44Å; I671-Y714 HydrophobicContact CD1-CD2 4.18Å; I671-Y714 HydrophobicContact CD1-CE1 4.31Å; I671-Y714 HydrophobicContact CD1-CE2 3.86Å; I671-Y714 HydrophobicContact CG1-CD2 4.29Å; I671-Y714 HydrophobicContact CG1-CE2 3.72Å; I671-Y714 HydrophobicContact CG2-CD2 4.25Å; I671-Y714 HydrophobicContact CG2-CE2 4.4Å; T712-Y714 HydrophobicContact CG2-CE1 4.17Å; T712-Y714 HydrophobicContact CG2-CE2 4.14Å; T712-Y714 WeakPolarHBondContact O-CD2 3.21Å; T712-Y714 VanDerWaalsContact O-CE2 3.28Å; T712-Y714 WeakPolarHBondContact O-CE2 3.47Å |
| 715 | E | 78.8 | Confident | 66.1 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.8 | 177.6 | -169.1 | -177.2 | 174.2 | 0 | 0 | 110.3 | L610 Q611 L713 N717 | L610-E715 WeakPolarHBondContact CA-O 3.38Å; Q611-E715 HydrophobicContact CB-CB 4.03Å; Q611-E715 PolarHBondContact N-O 3.1Å; Q611-E715 PolarHBondContact O-N 3.48Å; L713-E715 VanDerWaalsContact CD1-O 3.25Å; L713-E715 WeakPolarHBondContact CD1-O 3.47Å; E715-N717 PolarHBondContact OE1-ND2 3.06Å; E715-N717 VanDerWaalsContact OE1-ND2 3.08Å |
| 716 | I | 78.8 | Confident | 63.1 | Low | 30 Ų | 30 | 66.8 Ų | 66.8 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.9 | 165 | 176.1 | 161.4 | 0 | 0 | 0 | 107.9 | L591 I595 T597 L608 Y609 L610 V707 L713 | L591-I716 HydrophobicContact CD1-CG2 3.92Å; I595-I716 HydrophobicContact CD1-CG2 4Å; I595-I716 HydrophobicContact CG2-CD1 4.05Å; T597-I716 WeakPolarHBondContact OG1-CD1 3.3Å; L608-I716 HydrophobicContact CD1-CD1 4.23Å; L608-I716 HydrophobicContact CD1-CG1 4.03Å; Y609-I716 WeakPolarHBondContact O-CA 3.47Å; L610-I716 HydrophobicContact CD2-CB 3.76Å; L610-I716 HydrophobicContact CD2-CD1 3.62Å; L610-I716 HydrophobicContact CD2-CG1 3.51Å; V707-I716 HydrophobicContact CG2-CD1 4.39Å; L713-I716 HydrophobicContact CD2-CB 4.21Å; L713-I716 HydrophobicContact CD2-CG2 4.23Å |
| 717 | N | 75.6 | Confident | 60.1 | Low | 85 Ų | 85 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135 | -175.7 | -144 | -34.6 | 0 | 0 | 0 | 110 | Y609 E715 | Y609-N717 HydrophobicContact CD1-CB 4.41Å; Y609-N717 PolarHBondContact N-O 3.2Å; Y609-N717 PolarHBondContact O-N 2.9Å; E715-N717 PolarHBondContact OE1-ND2 3.06Å; E715-N717 VanDerWaalsContact OE1-ND2 3.08Å |
| 718 | T | 66.9 | Low | 57 | Low | 30 Ų | 30 | 76.2 Ų | 76.2 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 109.4 | -178.4 | 47.1 | 0 | 0 | 0 | 0 | 109.4 | T597 F599 I607 L608 | T597-T718 HydrophobicContact CG2-CG2 3.68Å; F599-T718 HydrophobicContact CD1-CG2 3.77Å; F599-T718 HydrophobicContact CE1-CG2 3.53Å; F599-T718 HydrophobicContact CZ-CG2 4.22Å; I607-T718 WeakPolarHBondContact O-CA 3.37Å; L608-T718 HydrophobicContact CD1-CG2 3.68Å |
| 719 | G | 60.5 | Low | 54 | Low | 36 Ų | 36 | 83.4 Ų | 83.4 | 37% | 0.371 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 154.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q606 I607 | Q606-G719 WeakPolarHBondContact CA-O 3.3Å; I607-G719 PolarHBondContact N-O 3.29Å; I607-G719 PolarHBondContact O-N 2.64Å |
| 720 | K | 52.9 | Low | 50.9 | Low | 95 Ų | 95 | 94.5 Ų | 94.5 | 41% | 0.413 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 142.6 | 161.6 | -57.9 | -174.1 | -171 | -174.8 | 0 | 108.9 | E601 E722 | E601-K720 IonicContact OE1-NZ 3.55Å; E601-K720 PolarHBondContact OE1-NZ 3.17Å; E601-K720 IonicContact OE2-NZ 2.68Å; E601-K720 PolarHBondContact OE2-NZ 2.93Å; K720-E722 PolarHBondContact O-N 2.87Å |
| 721 | V | 44.3 | Very low | 48 | Very low | 61 Ų | 61 | 95.7 Ų | 95.7 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | trans | -82.3 | 93 | 160.1 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | K605 I607 R723 | K605-V721 HydrophobicContact CB-CB 3.76Å; K605-V721 HydrophobicContact CB-CG2 4.09Å; K605-V721 PolarHBondContact O-N 3.44Å; I607-V721 HydrophobicContact CB-CG2 4.48Å; I607-V721 HydrophobicContact CD1-CG2 3.55Å; I607-V721 HydrophobicContact CG1-CG2 3.56Å; V721-R723 PolarHBondContact O-N 3.15Å | ||
| 722 | E | 33.5 | Very low | 45.2 | Very low | 175 Ų | 175 | 102.1 Ų | 102.1 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | trans | -59.2 | 121.3 | 165.2 | -67.4 | -167.1 | 127.2 | 0 | 0 | 108 | K720 | K720-E722 PolarHBondContact O-N 2.87Š| ||
| 723 | R | 25.3 | Very low | 42.4 | Very low | 207 Ų | 207 | 106.9 Ų | 106.9 | 78% | 0.781 | 57% | 0.571 | S | S | * | * | trans | -61 | 144.6 | 154.8 | -83.5 | -179.9 | 161.8 | 170.2 | -4 | 106.7 | V721 P725 | V721-R723 PolarHBondContact O-N 3.15Å; R723-P725 WeakPolarHBondContact O-CD 3.38Å | ||
| 724 | D | 23.8 | Very low | 39.6 | Very low | 135 Ų | 135 | 110.5 Ų | 110.5 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | -99.3 | 87.1 | 164 | -171.4 | -5.7 | 0 | 0 | 0 | 110.5 | L726 | D724-L726 PolarHBondContact O-N 3.4Å; D724-L726 PolarHBondContact OD1-N 2.82Å | ||
| 725 | P | 23.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | trans | -85.3 | 93.9 | 162.2 | 34.8 | -31 | 0 | 0 | 0 | 108.9 | R723 A727 | R723-P725 WeakPolarHBondContact O-CD 3.38Å; P725-A727 PolarHBondContact O-N 3.16Å | ||
| 726 | L | 23 | Very low | 34.1 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | trans | -46.2 | 123.6 | 170.7 | -88 | 164.7 | 0 | 0 | 0 | 111.5 | D724 | D724-L726 PolarHBondContact O-N 3.4Å; D724-L726 PolarHBondContact OD1-N 2.82Å | ||
| 727 | A | 20.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | 62.7 | 110.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | P725 | P725-A727 PolarHBondContact O-N 3.16Š| ||
| 728 | T | 21.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | 178.3 | 115.4 | 95.1 | 30.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 729 | K | 21.3 | Very low | 26.5 | Very low | 213 Ų | 213 | 132.9 Ų | 132.9 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | trans | -149.4 | 100 | 150.3 | -115.7 | 173.1 | -173.8 | 176.9 | 0 | 110.9 | ||||
| 730 | R | 19.7 | Very low | 24.6 | Very low | 253 Ų | 253 | 136.6 Ų | 136.6 | 96% | 0.955 | 75% | 0.754 | S | S | * | * | trans | -71.3 | 151.7 | 158.9 | -65.3 | 174.6 | 172.8 | 177 | -3.7 | 108.2 | ||||
| 731 | G | 20.7 | Very low | 23.1 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 145 | 83.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 732 | V | 21.1 | Very low | 21.9 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 53 | 131.7 | 144.3 | -171.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 733 | P | 21.1 | Very low | 21.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135.3 | 175.5 | -1.5 | 18.8 | 0 | 0 | 0 | 112.3 | ||
| 734 | G | 20.9 | Very low | 21.1 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 137.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 735 | T | 20 | Very low | 21 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 143.3 | 168.6 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 736 | D | 21.6 | Very low | 20.9 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | -167.4 | 172 | 97.9 | -122.3 | -52 | 0 | 0 | 0 | 115.2 | |||||
| 737 | N | 19.1 | Very low | 20.7 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -85.9 | 140.1 | -172.4 | -59.5 | -92.7 | 0 | 0 | 0 | 112.6 | ||||
| 738 | T | 22.8 | Very low | 20.6 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -169.1 | 99.3 | 136.9 | 10.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 739 | Q | 19.8 | Very low | 20.6 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -89.9 | 133.1 | 147.2 | -79.5 | -174.1 | -25.8 | 0 | 0 | 108.2 | ||||
| 740 | P | 20.6 | Very low | 20.6 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -143.6 | 171.5 | 136.9 | 36.7 | -22.4 | 0 | 0 | 0 | 114.6 | ||||
| 741 | A | 20.9 | Very low | 20.7 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | 64.1 | 85.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 742 | A | 18.3 | Very low | 20.8 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -76.6 | 137.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 743 | H | 20.7 | Very low | 20.7 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | trans | -125.9 | 90.1 | 169.2 | -91.2 | -59.8 | 0 | 0 | 0 | 111.4 | ||||
| 744 | P | 22.9 | Very low | 20.6 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -90.8 | 124 | 167.6 | 33.4 | -28.7 | 0 | 0 | 0 | 110.5 | ||||
| 745 | K | 20.8 | Very low | 20.6 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -162.7 | 131.6 | 170.7 | -115.8 | 169.9 | 169.6 | -78.5 | 0 | 112.8 | ||||
| 746 | E | 20.5 | Very low | 20.5 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 63.8 | 145.7 | 143.5 | -71.3 | 153.8 | -174.1 | 0 | 0 | 119.9 | ||||
| 747 | A | 19.9 | Very low | 20.4 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | cis | -169.2 | 168.2 | -19.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 748 | R | 18.6 | Very low | 20.5 | Very low | 212 Ų | 212 | 152.7 Ų | 152.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 67.8 | 115.4 | 150.8 | -77.4 | -166.9 | 159.2 | 123.2 | 4.2 | 119.4 | ||||
| 749 | E | 21.5 | Very low | 20.4 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 58% | 0.575 | 78% | 0.784 | S | S | * | * | 76.7 | 106 | 83.2 | -73.9 | -177.4 | -128.2 | 0 | 0 | 115.4 | |||||
| 750 | N | 21.7 | Very low | 20.4 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | -176 | 133.6 | 92 | -103.1 | -67.5 | 0 | 0 | 0 | 115.9 | |||||
| 751 | K | 20.8 | Very low | 20.3 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | 8 | 124 | 140.2 | -51.7 | 165.9 | -163.8 | 114.8 | 0 | 117.5 | ||||
| 752 | N | 23.6 | Very low | 20.3 | Very low | 163 Ų | 163 | 164.8 Ų | 164.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | -158.9 | 136.5 | 100.7 | -108.5 | -30.7 | 0 | 0 | 0 | 116.5 | |||||
| 753 | R | 18.5 | Very low | 20.5 | Very low | 228 Ų | 228 | 167.7 Ų | 167.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -65.4 | 143.3 | -177.4 | -64 | 160.1 | 162.1 | 175.2 | -5.8 | 113.3 | ||||
| 754 | L | 19.8 | Very low | 20.7 | Very low | 180 Ų | 180 | 163.9 Ų | 163.9 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | trans | -137.4 | 125.1 | 139.9 | -104.2 | 168.6 | 0 | 0 | 0 | 108.4 | ||||
| 755 | K | 19.9 | Very low | 20.8 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 142.2 | 177.3 | -71.6 | -176.4 | 173.8 | -173.9 | 0 | 109.9 | ||||
| 756 | Q | 18.8 | Very low | 21 | Very low | 191 Ų | 191 | 163 Ų | 163 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 137.3 | 154.7 | -159.3 | 159.6 | 37.4 | 0 | 0 | 108.9 | ||||
| 757 | T | 19.2 | Very low | 21.2 | Very low | 139 Ų | 139 | 161 Ų | 161 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -92.6 | 121.7 | -165.4 | 14.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 758 | E | 20.7 | Very low | 21.4 | Very low | 189 Ų | 189 | 166.5 Ų | 166.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 155.6 | 164.1 | -65.3 | -167.9 | 113.8 | 0 | 0 | 111.2 | ||||
| 759 | K | 20.4 | Very low | 21.6 | Very low | 194 Ų | 194 | 162.1 Ų | 162.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -99 | 115.1 | 169.8 | -77.5 | -171.7 | 171.6 | -172 | 0 | 109.4 | ||||
| 760 | Q | 20.3 | Very low | 21.7 | Very low | 162 Ų | 162 | 165.6 Ų | 165.6 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.4 | 172.4 | -67.5 | 159.9 | -54.8 | 0 | 0 | 110.6 | ||
| 761 | W | 19.1 | Very low | 21.9 | Very low | 250 Ų | 250 | 169.2 Ų | 169.2 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 116.3 | 161.3 | -82.4 | 81.5 | 0 | 0 | 0 | 108.1 | L763 | W761-L763 PolarHBondContact O-N 3.41Š|
| 762 | M | 19.9 | Very low | 22.2 | Very low | 178 Ų | 178 | 165.6 Ų | 165.6 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.6 | -179.1 | -59.2 | -173.8 | -57.6 | 0 | 0 | 110.2 | ||
| 763 | L | 23.8 | Very low | 22.4 | Very low | 157 Ų | 157 | 161.5 Ų | 161.5 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141 | 157.4 | -80.9 | 161 | 0 | 0 | 0 | 108.3 | W761 | W761-L763 PolarHBondContact O-N 3.41Š|
| 764 | P | 24.4 | Very low | 23 | Very low | 101 Ų | 101 | 154.8 Ų | 154.8 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 142 | -178.1 | 27.7 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 765 | P | 24.7 | Very low | 23.9 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.6 | -179.2 | 27.9 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 766 | V | 25.8 | Very low | 25 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -110.5 | 144.3 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 767 | P | 24.4 | Very low | 26.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -58.7 | 150 | -159.1 | -30 | 37.7 | 0 | 0 | 0 | 117.5 | T769 | P767-T769 PolarHBondContact O-N 2.78Š| ||
| 768 | E | 22.6 | Very low | 28 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 68% | 0.678 | S | S | * | * | trans | -52.2 | 124.3 | -176.5 | -62 | 166.8 | -179.4 | 0 | 0 | 113.1 | ||||
| 769 | T | 22.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | trans | -141.6 | 145.2 | 164 | 20.6 | 0 | 0 | 0 | 0 | 108.8 | P767 | P767-T769 PolarHBondContact O-N 2.78Š| ||
| 770 | K | 24.7 | Very low | 31.6 | Very low | 196 Ų | 196 | 114.3 Ų | 114.3 | 85% | 0.852 | 61% | 0.605 | S | S | * | * | trans | -74.4 | 138 | -155.2 | -62.2 | -176.2 | 177.8 | -174.7 | 0 | 114.6 | ||||
| 771 | E | 25.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 110.4 Ų | 110.4 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | trans | 12.4 | 127.5 | 146.8 | -58 | 172.3 | 117.4 | 0 | 0 | 118.1 | ||||
| 772 | G | 26.9 | Very low | 35.6 | Very low | 83 Ų | 83 | 98.5 Ų | 98.5 | 86% | 0.856 | 54% | 0.54 | S | S | * | . | trans | 138.7 | 10.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 773 | S | 28.3 | Very low | 37.6 | Very low | 77 Ų | 77 | 93.1 Ų | 93.1 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | trans | -154.1 | 147.4 | 167.6 | 89.9 | 0 | 0 | 0 | 0 | 115 | E775 | S773-E775 PolarHBondContact O-N 2.79Å; S773-E775 VanDerWaalsContact O-N 3.13Å | ||
| 774 | D | 30.7 | Very low | 39.2 | Very low | 87 Ų | 87 | 87.8 Ų | 87.8 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | trans | -65.1 | 104.6 | 170.6 | -81.9 | -74 | 0 | 0 | 0 | 111.3 | Q891 | D774-Q891 PolarHBondContact OD1-NE2 2.91Š| ||
| 775 | E | 39.8 | Very low | 40.6 | Very low | 50 Ų | 50 | 85.7 Ų | 85.7 | 23% | 0.234 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.4 | 173.6 | -68.3 | 175.5 | 165.2 | 0 | 0 | 110.4 | S773 M777 R892 | S773-E775 PolarHBondContact O-N 2.79Å; S773-E775 VanDerWaalsContact O-N 3.13Å; E775-M777 HydrophobicContact CB-CE 4.27Å; E775-M777 WeakPolarHBondContact OE2-CE 3.43Å; E775-R892 HydrophobicContact CB-CB 4.11Å; E775-R892 PolarHBondContact O-N 3.11Å; E775-R892 WeakPolarHBondContact OE2-CD 3.3Å; E775-R892 IonicContact OE2-CZ 3.82Å; E775-R892 IonicContact OE2-NE 3.08Å; E775-R892 IonicContact OE2-NH1 2.63Å; E775-R892 PolarHBondContact OE2-NH1 2.97Å |
| 776 | R | 42.8 | Very low | 41.7 | Very low | 102 Ų | 102 | 86.1 Ų | 86.1 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 116.6 | 162.6 | -67.3 | -175.5 | -175.6 | 168.8 | 3.6 | 108.5 | E870 L889 L890 | R776-E870 PolarHBondContact NH1-O 2.75Å; R776-L889 HydrophobicContact CB-CD1 4.4Å; R776-L890 CarbonylContact C-O 3.58Å; R776-L890 WeakPolarHBondContact CA-O 3.25Å |
| 777 | M | 46.8 | Very low | 43.1 | Very low | 35 Ų | 35 | 83.3 Ų | 83.3 | 17% | 0.172 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.7 | 176.2 | -57.7 | 174.9 | -161.4 | 0 | 0 | 110.1 | E775 L890 | E775-M777 HydrophobicContact CB-CE 4.27Å; E775-M777 WeakPolarHBondContact OE2-CE 3.43Å; M777-L890 PolarHBondContact N-O 3.3Å; M777-L890 PolarHBondContact O-N 3.1Å |
| 778 | V | 54.1 | Low | 44.6 | Very low | 14 Ų | 14 | 78.3 Ų | 78.3 | 9% | 0.085 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.7 | 165.3 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | L780 V857 L873 L889 | V778-L780 HydrophobicContact CG1-CD2 4.12Å; V778-L780 HydrophobicContact CG1-CG 4.09Å; V778-V857 HydrophobicContact CB-CB 4.32Å; V778-V857 PolarHBondContact N-O 2.9Å; V778-V857 PolarHBondContact O-N 3.21Å; V778-L873 HydrophobicContact CG2-CD1 3.7Å; V778-L889 HydrophobicContact CG2-CD1 3.97Å |
| 779 | L | 56.5 | Low | 46.7 | Very low | 35 Ų | 35 | 74.3 Ų | 74.3 | 18% | 0.183 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.6 | 171.6 | -176.7 | 78.7 | 0 | 0 | 0 | 108.9 | L854 F856 A887 R888 L890 | L779-L854 HydrophobicContact CD1-CD2 4.32Å; L779-F856 HydrophobicContact CD1-CD1 3.68Å; L779-F856 HydrophobicContact CD1-CE1 3.34Å; L779-F856 HydrophobicContact CD1-CE2 4.23Å; L779-F856 HydrophobicContact CD1-CG 4.26Å; L779-F856 HydrophobicContact CD1-CZ 3.64Å; L779-A887 WeakPolarHBondContact O-CA 3.29Å; L779-R888 HydrophobicContact CB-CB 4.47Å; L779-R888 PolarHBondContact N-O 3.36Å; L779-R888 PolarHBondContact O-N 3.36Å; L779-L890 HydrophobicContact CB-CD1 4.11Å; L779-L890 HydrophobicContact CD2-CD1 4.35Å |
| 780 | L | 59.2 | Low | 48.9 | Very low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.3 | 171 | -61.8 | 174 | 0 | 0 | 0 | 110 | V778 L782 V793 L854 A855 V876 A887 | V778-L780 HydrophobicContact CG1-CD2 4.12Å; V778-L780 HydrophobicContact CG1-CG 4.09Å; L780-L782 HydrophobicContact CB-CD2 4.13Å; L780-L782 HydrophobicContact CB-CG 4.29Å; L780-V793 HydrophobicContact CD1-CG1 3.62Å; L780-V793 HydrophobicContact CD1-CG2 4.14Å; L780-L854 CarbonylContact O-C 3.57Å; L780-L854 WeakPolarHBondContact O-CA 3.45Å; L780-A855 HydrophobicContact CB-CB 4.28Å; L780-A855 PolarHBondContact N-O 3.21Å; L780-A855 PolarHBondContact O-N 2.91Å; L780-V876 HydrophobicContact CD1-CG1 4.21Å; L780-V876 HydrophobicContact CD2-CG1 3.88Å; L780-A887 HydrophobicContact CD2-CB 3.55Å |
| 781 | K | 59.4 | Low | 51 | Low | 80 Ų | 80 | 62.8 Ų | 62.8 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 97.5 | 177.1 | -171.9 | -179.1 | -178.8 | -179.2 | 0 | 108.4 | T852 L854 R885 E886 | K781-T852 HydrophobicContact CG-CG2 3.55Å; K781-L854 HydrophobicContact CB-CD2 3.98Å; K781-L854 HydrophobicContact CG-CD2 3.88Å; K781-R885 WeakPolarHBondContact O-CB 3.26Å; K781-R885 PolarHBondContact O-N 3.43Å; K781-E886 HydrophobicContact CB-CB 3.76Å; K781-E886 HydrophobicContact CD-CB 4.1Å; K781-E886 WeakPolarHBondContact CD-OE2 3.41Å; K781-E886 PolarHBondContact N-O 2.85Å; K781-E886 IonicContact NZ-OE2 2.67Å; K781-E886 PolarHBondContact O-N 3.43Å |
| 782 | L | 64.6 | Low | 53.1 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 143.8 | -175.8 | -45.4 | 177.5 | 0 | 0 | 0 | 108.8 | L780 F791 T852 I853 V878 V882 I883 A884 | L780-L782 HydrophobicContact CB-CD2 4.13Å; L780-L782 HydrophobicContact CB-CG 4.29Å; L782-F791 HydrophobicContact CD1-CD2 4Å; L782-F791 HydrophobicContact CD1-CE1 4.47Å; L782-F791 HydrophobicContact CD1-CE2 3.29Å; L782-F791 HydrophobicContact CD1-CZ 3.59Å; L782-T852 CarbonylContact O-C 3.54Å; L782-T852 VanDerWaalsContact O-CA 3.3Å; L782-T852 WeakPolarHBondContact O-CA 3.39Å; L782-T852 WeakPolarHBondContact O-CG2 3.39Å; L782-I853 HydrophobicContact CB-CB 4.34Å; L782-I853 PolarHBondContact N-O 2.92Å; L782-I853 PolarHBondContact O-N 2.88Å; L782-V878 HydrophobicContact CD1-CG1 4.39Å; L782-V878 HydrophobicContact CD2-CG1 4.43Å; L782-V878 HydrophobicContact CD2-CG2 4.12Å; L782-V882 HydrophobicContact CB-CB 4.24Å; L782-V882 HydrophobicContact CB-CG2 4.47Å; L782-V882 HydrophobicContact CD1-CG2 4.09Å; L782-I883 CarbonylContact C-O 3.42Å; L782-I883 WeakPolarHBondContact CA-O 3.37Å; L782-A884 HydrophobicContact CD2-CB 3.78Å |
| 783 | Q | 61.3 | Low | 54.9 | Low | 64 Ų | 64 | 52.5 Ų | 52.5 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.5 | 167.7 | -178.7 | 178.6 | -15.2 | 0 | 0 | 109.3 | V882 I883 | Q783-V882 CarbonylContact O-C 3.56Å; Q783-V882 VanDerWaalsContact O-CA 3.29Å; Q783-V882 WeakPolarHBondContact O-CA 3.41Å; Q783-I883 HydrophobicContact CB-CB 4.46Å; Q783-I883 PolarHBondContact N-O 2.88Å; Q783-I883 PolarHBondContact O-N 2.65Å |
| 784 | E | 58.4 | Low | 56.7 | Low | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.6 | 179 | -166.3 | 175.4 | 158.4 | 0 | 0 | 111.3 | A788 K848 G851 I853 | E784-A788 HydrophobicContact CG-CB 4.06Å; E784-K848 IonicContact OE1-NZ 2.74Å; E784-K848 PolarHBondContact OE1-NZ 2.61Å; E784-K848 WeakPolarHBondContact OE2-CD 3.42Å; E784-K848 WeakPolarHBondContact OE2-CE 3.34Å; E784-K848 IonicContact OE2-NZ 3.78Å; E784-K848 PolarHBondContact OE2-NZ 2.68Å; E784-G851 PolarHBondContact N-O 3.28Å; E784-I853 HydrophobicContact CB-CD1 3.84Å; E784-I853 HydrophobicContact CB-CG1 4.48Å; E784-I853 HydrophobicContact CG-CD1 4.08Å |
| 785 | L | 52.7 | Low | 58.1 | Low | 57 Ų | 57 | 45.5 Ų | 45.5 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -88.5 | 151.2 | 168.8 | -64 | 174.9 | 0 | 0 | 0 | 110.7 | G787 A788 D881 I883 | L785-G787 PolarHBondContact O-N 2.67Å; L785-G787 VanDerWaalsContact O-N 3.13Å; L785-A788 VanDerWaalsContact O-CB 3.32Å; L785-A788 WeakPolarHBondContact O-CB 3.48Å; L785-A788 PolarHBondContact O-N 2.8Å; L785-A788 VanDerWaalsContact O-N 3.14Å; L785-D881 HydrophobicContact CB-CB 4.37Å; L785-D881 VanDerWaalsContact CB-O 3.29Å; L785-D881 WeakPolarHBondContact CB-O 3.49Å; L785-D881 PolarHBondContact N-O 2.77Å; L785-D881 VanDerWaalsContact N-O 3.09Å; L785-I883 HydrophobicContact CD1-CG1 4.42Å; L785-I883 HydrophobicContact CD2-CD1 3.89Å; L785-I883 HydrophobicContact CD2-CG1 4.15Å; L785-I883 HydrophobicContact CG-CG1 4.37Å |
| 786 | P | 47.8 | Very low | 59 | Low | 137 Ų | 137 | 45.9 Ų | 45.9 | 89% | 0.89 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 117.8 | 178.6 | -22.5 | 34 | 0 | 0 | 0 | 111.7 | ||
| 787 | G | 55.6 | Low | 59.7 | Low | 65 Ų | 65 | 41.4 Ų | 41.4 | 67% | 0.67 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.9 | -2.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L785 K789 | L785-G787 PolarHBondContact O-N 2.67Å; L785-G787 VanDerWaalsContact O-N 3.13Å; G787-K789 PolarHBondContact O-N 3.14Å; G787-K789 VanDerWaalsContact O-N 3.07Å |
| 788 | A | 56.7 | Low | 59.8 | Low | 8 Ų | 8 | 41.7 Ų | 41.7 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | trans | -58.7 | 107.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E784 L785 L809 D881 | E784-A788 HydrophobicContact CG-CB 4.06Å; L785-A788 VanDerWaalsContact O-CB 3.32Å; L785-A788 WeakPolarHBondContact O-CB 3.48Å; L785-A788 PolarHBondContact O-N 2.8Å; L785-A788 VanDerWaalsContact O-N 3.14Å; A788-L809 HydrophobicContact CB-CD1 3.99Å; A788-L809 WeakPolarHBondContact O-CD1 3.29Å; A788-D881 HydrophobicContact CB-CB 3.53Å; A788-D881 VanDerWaalsContact CB-O 3.29Å; A788-D881 WeakPolarHBondContact CB-O 3.47Å | ||
| 789 | K | 67 | Low | 59.8 | Low | 112 Ų | 112 | 44.6 Ų | 44.6 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | trans | -92.6 | -36.6 | 178.2 | -68.6 | -179.5 | 173.1 | -76 | 0 | 113.3 | G787 V808 L809 E810 | G787-K789 PolarHBondContact O-N 3.14Å; G787-K789 VanDerWaalsContact O-N 3.07Å; K789-V808 CarbonylContact O-C 3.59Å; K789-L809 PolarHBondContact O-N 3.38Å; K789-E810 HydrophobicContact CB-CG 4.41Å; K789-E810 HydrophobicContact CG-CG 4.25Å; K789-E810 IonicContact NZ-OE1 3.49Å; K789-E810 PolarHBondContact NZ-OE1 2.98Å; K789-E810 IonicContact NZ-OE2 3.41Å; K789-E810 PolarHBondContact NZ-OE2 3.3Å; K789-E810 VanDerWaalsContact NZ-OE2 3.1Å | ||
| 790 | E | 68.2 | Low | 59.5 | Low | 71 Ų | 71 | 45.6 Ų | 45.6 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.2 | -179.3 | 60.3 | 177.9 | 175.6 | 0 | 0 | 112.1 | R806 I807 V808 | E790-R806 IonicContact OE1-CZ 3.56Å; E790-R806 IonicContact OE1-NE 2.61Å; E790-R806 IonicContact OE1-NH2 2.9Å; E790-R806 PolarHBondContact OE1-NH2 2.93Å; E790-R806 IonicContact OE2-CZ 2.79Å; E790-R806 VanDerWaalsContact OE2-CZ 3.3Å; E790-R806 IonicContact OE2-NE 3.97Å; E790-R806 PolarHBondContact OE2-NE 2.82Å; E790-R806 IonicContact OE2-NH2 2.75Å; E790-R806 PolarHBondContact OE2-NH2 2.79Å; E790-R806 VanDerWaalsContact OE2-NH2 3.07Å; E790-I807 CarbonylContact C-O 3.55Å; E790-I807 WeakPolarHBondContact CA-O 3.48Å; E790-I807 WeakPolarHBondContact CB-O 3.47Å; E790-V808 HydrophobicContact CB-CG2 4.21Å |
| 791 | F | 68.7 | Low | 59.2 | Low | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.3 | 172.1 | 64.9 | -88.1 | 0 | 0 | 0 | 110.6 | L782 V793 I807 L809 L846 I853 V878 K879 V882 | L782-F791 HydrophobicContact CD1-CD2 4Å; L782-F791 HydrophobicContact CD1-CE1 4.47Å; L782-F791 HydrophobicContact CD1-CE2 3.29Å; L782-F791 HydrophobicContact CD1-CZ 3.59Å; F791-V793 HydrophobicContact CD2-CG2 3.87Å; F791-V793 HydrophobicContact CE2-CG2 3.67Å; F791-I807 HydrophobicContact CD1-CB 4.27Å; F791-I807 HydrophobicContact CD1-CG2 4.39Å; F791-I807 HydrophobicContact CD2-CB 4.36Å; F791-I807 HydrophobicContact CE1-CB 3.91Å; F791-I807 HydrophobicContact CE1-CG2 3.67Å; F791-I807 HydrophobicContact CE2-CB 4.02Å; F791-I807 HydrophobicContact CE2-CD1 3.75Å; F791-I807 HydrophobicContact CE2-CG1 4.19Å; F791-I807 HydrophobicContact CE2-CG2 4.44Å; F791-I807 HydrophobicContact CG-CB 4.48Å; F791-I807 HydrophobicContact CZ-CB 3.78Å; F791-I807 HydrophobicContact CZ-CD1 3.78Å; F791-I807 HydrophobicContact CZ-CG1 4.25Å; F791-I807 HydrophobicContact CZ-CG2 3.71Å; F791-I807 PolarHBondContact N-O 2.84Å; F791-I807 PolarHBondContact O-N 2.94Å; F791-L809 HydrophobicContact CD1-CD1 3.94Å; F791-L809 HydrophobicContact CD1-CG 4.09Å; F791-L809 HydrophobicContact CE1-CD1 4.04Å; F791-L809 HydrophobicContact CE1-CD2 3.99Å; F791-L809 HydrophobicContact CE1-CG 3.87Å; F791-L846 HydrophobicContact CZ-CD2 4.42Å; F791-I853 HydrophobicContact CE1-CD1 4.47Å; F791-I853 HydrophobicContact CZ-CG2 4.47Å; F791-V878 HydrophobicContact CD2-CG1 4Å; F791-K879 CarbonylContact C-O 3.51Å; F791-K879 VanDerWaalsContact CA-O 3.24Å; F791-K879 WeakPolarHBondContact CA-O 3.45Å; F791-K879 VanDerWaalsContact CB-O 3.28Å; F791-K879 WeakPolarHBondContact CB-O 3.41Å; F791-V882 HydrophobicContact CB-CG1 4.37Å; F791-V882 HydrophobicContact CB-CG2 3.6Å; F791-V882 HydrophobicContact CD1-CG1 3.83Å; F791-V882 HydrophobicContact CD1-CG2 4.09Å; F791-V882 HydrophobicContact CD2-CG2 3.83Å; F791-V882 HydrophobicContact CE1-CG1 4.33Å; F791-V882 HydrophobicContact CE2-CG2 4.49Å; F791-V882 HydrophobicContact CG-CG1 4.17Å; F791-V882 HydrophobicContact CG-CG2 3.59Å |
| 792 | E | 69.3 | Low | 58.8 | Low | 54 Ų | 54 | 49.1 Ų | 49.1 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.6 | 177.5 | -67 | -172.6 | 157.8 | 0 | 0 | 110.2 | T804 I805 R806 V878 K879 | E792-T804 HydrophobicContact CB-CG2 4.05Å; E792-T804 HydrophobicContact CG-CG2 4.25Å; E792-I805 CarbonylContact C-O 3.52Å; E792-I805 WeakPolarHBondContact CA-O 3.48Å; E792-R806 HydrophobicContact CG-CB 3.84Å; E792-R806 HydrophobicContact CG-CG 3.75Å; E792-R806 WeakPolarHBondContact OE1-CD 3.37Å; E792-R806 IonicContact OE1-CZ 3.5Å; E792-R806 IonicContact OE1-NE 3.64Å; E792-R806 IonicContact OE1-NH1 2.76Å; E792-R806 PolarHBondContact OE1-NH1 3.14Å; E792-V878 CarbonylContact O-C 3.57Å; E792-V878 WeakPolarHBondContact O-CA 3.37Å; E792-K879 HydrophobicContact CB-CB 4.45Å; E792-K879 PolarHBondContact N-O 3.02Å; E792-K879 PolarHBondContact O-N 3.42Å |
| 793 | V | 66.3 | Low | 58.5 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.5 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | L780 F791 L795 I805 V876 V878 | L780-V793 HydrophobicContact CD1-CG1 3.62Å; L780-V793 HydrophobicContact CD1-CG2 4.14Å; F791-V793 HydrophobicContact CD2-CG2 3.87Å; F791-V793 HydrophobicContact CE2-CG2 3.67Å; V793-L795 HydrophobicContact CG1-CD2 3.92Å; V793-L795 HydrophobicContact CG1-CG 4.29Å; V793-I805 HydrophobicContact CB-CB 4.37Å; V793-I805 PolarHBondContact N-O 2.79Å; V793-I805 PolarHBondContact O-N 2.92Å; V793-V876 HydrophobicContact CG1-CG1 3.88Å; V793-V878 HydrophobicContact CG1-CG2 4.49Å; V793-V878 HydrophobicContact CG2-CG1 4.35Å; V793-V878 HydrophobicContact CG2-CG2 4.32Å |
| 794 | D | 66 | Low | 58.3 | Low | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.4 | 173.9 | -83.5 | -34.2 | 0 | 0 | 0 | 110.1 | L802 T804 V876 S877 K879 | D794-L802 HydrophobicContact CB-CD1 4.08Å; D794-L802 HydrophobicContact CB-CG 4.34Å; D794-T804 WeakPolarHBondContact OD1-CA 3.48Å; D794-T804 VanDerWaalsContact OD1-CB 3.22Å; D794-T804 WeakPolarHBondContact OD1-CB 3.4Å; D794-T804 WeakPolarHBondContact OD1-CG2 3.3Å; D794-T804 PolarHBondContact OD1-OG1 3.05Å; D794-V876 WeakPolarHBondContact O-CA 3.43Å; D794-S877 WeakPolarHBondContact CB-OG 3.21Å; D794-S877 PolarHBondContact N-O 3.19Å; D794-S877 PolarHBondContact O-N 2.89Å; D794-K879 WeakPolarHBondContact OD2-CE 3.46Å; D794-K879 IonicContact OD2-NZ 3.42Å; D794-K879 PolarHBondContact OD2-NZ 2.83Å |
| 795 | L | 59.8 | Low | 58.5 | Low | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.9 | 178.5 | -60.2 | 177.7 | 0 | 0 | 0 | 109.7 | V793 W803 I805 L873 V876 | V793-L795 HydrophobicContact CG1-CD2 3.92Å; V793-L795 HydrophobicContact CG1-CG 4.29Å; L795-W803 HydrophobicContact CB-CB 4.34Å; L795-W803 PolarHBondContact N-O 2.96Å; L795-W803 PolarHBondContact O-N 2.9Å; L795-I805 HydrophobicContact CD1-CD1 3.69Å; L795-I805 HydrophobicContact CD1-CG1 4.38Å; L795-L873 HydrophobicContact CB-CD2 3.88Å; L795-L873 HydrophobicContact CD2-CD2 4.36Å; L795-V876 HydrophobicContact CD2-CB 4.17Å; L795-V876 HydrophobicContact CD2-CG1 3.66Å; L795-V876 HydrophobicContact CD2-CG2 3.66Å |
| 796 | E | 57.8 | Low | 59.1 | Low | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.3 | 178.9 | -172.8 | 173.1 | -161.4 | 0 | 0 | 110.7 | L802 L873 Q874 R875 | E796-L802 HydrophobicContact CB-CD1 4.07Å; E796-L873 CarbonylContact O-C 3.58Å; E796-Q874 PolarHBondContact O-N 3.23Å; E796-R875 HydrophobicContact CB-CB 3.91Å; E796-R875 PolarHBondContact N-O 3.49Å; E796-R875 PolarHBondContact O-N 3.46Å; E796-R875 WeakPolarHBondContact OE2-CB 3.42Å |
| 797 | A | 58.5 | Low | 60 | Low | 8 Ų | 8 | 42.4 Ų | 42.4 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 152.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D799 G800 K801 | A797-D799 PolarHBondContact O-N 2.73Å; A797-G800 PolarHBondContact O-N 3.3Å; A797-K801 PolarHBondContact N-O 3.47Å; A797-K801 VanDerWaalsContact N-O 3.09Å |
| 798 | A | 49 | Very low | 60.6 | Low | 41 Ų | 41 | 40.9 Ų | 40.9 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 2.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K871 V872 Q874 | A798-K871 HydrophobicContact CB-CB 4.33Å; A798-V872 VanDerWaalsContact CB-O 3.3Å; A798-V872 WeakPolarHBondContact CB-O 3.36Å; A798-V872 PolarHBondContact N-O 3.41Å; A798-V872 VanDerWaalsContact N-O 3.17Å; A798-Q874 HydrophobicContact CB-CG 3.91Å |
| 799 | D | 53.9 | Low | 60.8 | Low | 74 Ų | 74 | 41.8 Ų | 41.8 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 11.2 | 169.4 | 74.1 | -18.2 | 0 | 0 | 0 | 113.4 | A797 K801 | A797-D799 PolarHBondContact O-N 2.73Å; D799-K801 VanDerWaalsContact C-N 3.31Å; D799-K801 PolarHBondContact O-N 3.05Å; D799-K801 WeakPolarHBondContact OD1-CB 3.38Å; D799-K801 WeakPolarHBondContact OD1-CG 3.4Å; D799-K801 PolarHBondContact OD1-N 2.94Å; D799-K801 IonicContact OD2-NZ 2.67Å; D799-K801 PolarHBondContact OD2-NZ 3.46Å |
| 800 | G | 48.7 | Very low | 60.6 | Low | 57 Ų | 57 | 42.6 Ų | 42.6 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 77.4 | 9.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A797 L802 | A797-G800 PolarHBondContact O-N 3.3Å; G800-L802 PolarHBondContact O-N 3.34Å |
| 801 | K | 53 | Low | 60.2 | Low | 101 Ų | 101 | 46.4 Ų | 46.4 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -79.2 | 115.4 | 172.3 | -69.2 | -166.9 | -173.4 | 81.5 | 0 | 111 | A797 D799 | A797-K801 PolarHBondContact N-O 3.47Å; A797-K801 VanDerWaalsContact N-O 3.09Å; D799-K801 VanDerWaalsContact C-N 3.31Å; D799-K801 PolarHBondContact O-N 3.05Å; D799-K801 WeakPolarHBondContact OD1-CB 3.38Å; D799-K801 WeakPolarHBondContact OD1-CG 3.4Å; D799-K801 PolarHBondContact OD1-N 2.94Å; D799-K801 IonicContact OD2-NZ 2.67Å; D799-K801 PolarHBondContact OD2-NZ 3.46Å | ||
| 802 | L | 51.8 | Low | 59.7 | Low | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.5 | 167.8 | -158.2 | 76.1 | 0 | 0 | 0 | 110.7 | D794 E796 G800 L819 | D794-L802 HydrophobicContact CB-CD1 4.08Å; D794-L802 HydrophobicContact CB-CG 4.34Å; E796-L802 HydrophobicContact CB-CD1 4.07Å; G800-L802 PolarHBondContact O-N 3.34Å; L802-L819 PolarHBondContact O-N 2.85Å |
| 803 | W | 57.2 | Low | 59 | Low | 55 Ų | 55 | 53.6 Ų | 53.6 | 21% | 0.208 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.9 | 173 | -61.8 | 83.1 | 0 | 0 | 0 | 109.5 | L795 V816 | L795-W803 HydrophobicContact CB-CB 4.34Å; L795-W803 PolarHBondContact N-O 2.96Å; L795-W803 PolarHBondContact O-N 2.9Å; W803-V816 HydrophobicContact CE3-CG1 4.39Å |
| 804 | T | 58.9 | Low | 58.3 | Low | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.3 | -178.7 | -49.5 | 0 | 0 | 0 | 0 | 109.3 | E792 D794 G817 | E792-T804 HydrophobicContact CB-CG2 4.05Å; E792-T804 HydrophobicContact CG-CG2 4.25Å; D794-T804 WeakPolarHBondContact OD1-CA 3.48Å; D794-T804 VanDerWaalsContact OD1-CB 3.22Å; D794-T804 WeakPolarHBondContact OD1-CB 3.4Å; D794-T804 WeakPolarHBondContact OD1-CG2 3.3Å; D794-T804 PolarHBondContact OD1-OG1 3.05Å; T804-G817 PolarHBondContact N-O 2.86Å; T804-G817 PolarHBondContact O-N 2.82Å |
| 805 | I | 62.2 | Low | 57.5 | Low | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 102.9 | 172.7 | -53.5 | -176.9 | 0 | 0 | 0 | 108.2 | E792 V793 L795 I807 W814 V816 V844 V857 | E792-I805 CarbonylContact C-O 3.52Å; E792-I805 WeakPolarHBondContact CA-O 3.48Å; V793-I805 HydrophobicContact CB-CB 4.37Å; V793-I805 PolarHBondContact N-O 2.79Å; V793-I805 PolarHBondContact O-N 2.92Å; L795-I805 HydrophobicContact CD1-CD1 3.69Å; L795-I805 HydrophobicContact CD1-CG1 4.38Å; I805-I807 HydrophobicContact CG2-CD1 4.11Å; I805-I807 HydrophobicContact CG2-CG1 3.89Å; I805-W814 HydrophobicContact CG2-CB 4.38Å; I805-V816 HydrophobicContact CG1-CG1 4.37Å; I805-V816 HydrophobicContact CG1-CG2 4.23Å; I805-V816 HydrophobicContact CG2-CG2 4.35Å; I805-V844 HydrophobicContact CD1-CG2 4.35Å; I805-V844 HydrophobicContact CG2-CG2 4.08Å; I805-V857 HydrophobicContact CD1-CG1 4.27Å; I805-V857 HydrophobicContact CD1-CG2 4.36Å |
| 806 | R | 63.9 | Low | 56.8 | Low | 94 Ų | 94 | 63.5 Ų | 63.5 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.5 | 173.4 | -172.4 | 177.8 | -166.5 | 124.4 | -7.7 | 109.7 | E790 E792 W814 T815 | E790-R806 IonicContact OE1-CZ 3.56Å; E790-R806 IonicContact OE1-NE 2.61Å; E790-R806 IonicContact OE1-NH2 2.9Å; E790-R806 PolarHBondContact OE1-NH2 2.93Å; E790-R806 IonicContact OE2-CZ 2.79Å; E790-R806 VanDerWaalsContact OE2-CZ 3.3Å; E790-R806 IonicContact OE2-NE 3.97Å; E790-R806 PolarHBondContact OE2-NE 2.82Å; E790-R806 IonicContact OE2-NH2 2.75Å; E790-R806 PolarHBondContact OE2-NH2 2.79Å; E790-R806 VanDerWaalsContact OE2-NH2 3.07Å; E792-R806 HydrophobicContact CG-CB 3.84Å; E792-R806 HydrophobicContact CG-CG 3.75Å; E792-R806 WeakPolarHBondContact OE1-CD 3.37Å; E792-R806 IonicContact OE1-CZ 3.5Å; E792-R806 IonicContact OE1-NE 3.64Å; E792-R806 IonicContact OE1-NH1 2.76Å; E792-R806 PolarHBondContact OE1-NH1 3.14Å; R806-W814 CarbonylContact O-C 3.5Å; R806-W814 WeakPolarHBondContact O-CA 3.31Å; R806-W814 WeakPolarHBondContact O-CB 3.24Å; R806-T815 PolarHBondContact N-O 3.32Å; R806-T815 PolarHBondContact O-N 2.82Å |
| 807 | I | 67.2 | Low | 56 | Low | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.1 | -174.6 | -58.4 | -168.9 | 0 | 0 | 0 | 108.6 | E790 F791 I805 W814 V844 L846 | E790-I807 CarbonylContact C-O 3.55Å; E790-I807 WeakPolarHBondContact CA-O 3.48Å; E790-I807 WeakPolarHBondContact CB-O 3.47Å; F791-I807 HydrophobicContact CD1-CB 4.27Å; F791-I807 HydrophobicContact CD1-CG2 4.39Å; F791-I807 HydrophobicContact CD2-CB 4.36Å; F791-I807 HydrophobicContact CE1-CB 3.91Å; F791-I807 HydrophobicContact CE1-CG2 3.67Å; F791-I807 HydrophobicContact CE2-CB 4.02Å; F791-I807 HydrophobicContact CE2-CD1 3.75Å; F791-I807 HydrophobicContact CE2-CG1 4.19Å; F791-I807 HydrophobicContact CE2-CG2 4.44Å; F791-I807 HydrophobicContact CG-CB 4.48Å; F791-I807 HydrophobicContact CZ-CB 3.78Å; F791-I807 HydrophobicContact CZ-CD1 3.78Å; F791-I807 HydrophobicContact CZ-CG1 4.25Å; F791-I807 HydrophobicContact CZ-CG2 3.71Å; F791-I807 PolarHBondContact N-O 2.84Å; F791-I807 PolarHBondContact O-N 2.94Å; I805-I807 HydrophobicContact CG2-CD1 4.11Å; I805-I807 HydrophobicContact CG2-CG1 3.89Å; I807-W814 HydrophobicContact CG1-CB 3.95Å; I807-V844 HydrophobicContact CD1-CG1 3.93Å; I807-L846 HydrophobicContact CD1-CD2 4.26Å; I807-L846 HydrophobicContact CG2-CD1 3.51Å; I807-L846 HydrophobicContact CG2-CD2 4.21Å; I807-L846 HydrophobicContact CG2-CG 4.49Å |
| 808 | V | 68.2 | Low | 55.2 | Low | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 101.9 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | K789 E790 E810 K811 E812 T813 | K789-V808 CarbonylContact O-C 3.59Å; E790-V808 HydrophobicContact CB-CG2 4.21Å; V808-E810 PolarHBondContact O-N 2.89Å; V808-K811 HydrophobicContact CG1-CB 4.32Å; V808-K811 HydrophobicContact CG1-CD 4.31Å; V808-K811 HydrophobicContact CG1-CG 4.26Å; V808-K811 PolarHBondContact O-N 2.87Å; V808-E812 PolarHBondContact O-N 2.81Å; V808-T813 PolarHBondContact N-O 2.96Å; V808-T813 PolarHBondContact O-N 3.14Å |
| 809 | L | 61.7 | Low | 54.4 | Low | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -60 | -41.2 | -173.7 | -79.6 | 165.1 | 0 | 0 | 0 | 112.5 | A788 K789 F791 K811 E812 I853 V882 | A788-L809 HydrophobicContact CB-CD1 3.99Å; A788-L809 WeakPolarHBondContact O-CD1 3.29Å; K789-L809 PolarHBondContact O-N 3.38Å; F791-L809 HydrophobicContact CD1-CD1 3.94Å; F791-L809 HydrophobicContact CD1-CG 4.09Å; F791-L809 HydrophobicContact CE1-CD1 4.04Å; F791-L809 HydrophobicContact CE1-CD2 3.99Å; F791-L809 HydrophobicContact CE1-CG 3.87Å; L809-K811 PolarHBondContact O-N 2.8Å; L809-E812 PolarHBondContact O-N 2.9Å; L809-I853 HydrophobicContact CD1-CD1 3.89Å; L809-I853 HydrophobicContact CD2-CD1 3.68Å; L809-I853 HydrophobicContact CD2-CG1 4.11Å; L809-I853 HydrophobicContact CG-CD1 4.43Å; L809-V882 HydrophobicContact CD1-CG1 4.35Å |
| 810 | E | 61.8 | Low | 53.5 | Low | 129 Ų | 129 | 66.9 Ų | 66.9 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -62.2 | -15.1 | -179.1 | -62.5 | -167.5 | 137.3 | 0 | 0 | 114.4 | K789 V808 | K789-E810 HydrophobicContact CB-CG 4.41Å; K789-E810 HydrophobicContact CG-CG 4.25Å; K789-E810 IonicContact NZ-OE1 3.49Å; K789-E810 PolarHBondContact NZ-OE1 2.98Å; K789-E810 IonicContact NZ-OE2 3.41Å; K789-E810 PolarHBondContact NZ-OE2 3.3Å; K789-E810 VanDerWaalsContact NZ-OE2 3.1Å; V808-E810 PolarHBondContact O-N 2.89Å |
| 811 | K | 61.1 | Low | 52.8 | Low | 151 Ų | 151 | 73.6 Ų | 73.6 | 66% | 0.657 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -121.1 | -5.6 | -176.2 | -65.9 | -178 | -179.8 | 177.3 | 0 | 113.6 | V808 L809 T813 | V808-K811 HydrophobicContact CG1-CB 4.32Å; V808-K811 HydrophobicContact CG1-CD 4.31Å; V808-K811 HydrophobicContact CG1-CG 4.26Å; V808-K811 PolarHBondContact O-N 2.87Å; L809-K811 PolarHBondContact O-N 2.8Å; K811-T813 HydrophobicContact CB-CG2 4.08Å; K811-T813 WeakPolarHBondContact CB-OG1 3.39Å; K811-T813 PolarHBondContact O-N 2.9Å |
| 812 | E | 58 | Low | 51.6 | Low | 139 Ų | 139 | 71.5 Ų | 71.5 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 22.5 | -165.6 | -56.2 | -166.2 | 145.6 | 0 | 0 | 113.9 | V808 L809 W814 | V808-E812 PolarHBondContact O-N 2.81Å; L809-E812 PolarHBondContact O-N 2.9Å; E812-W814 WeakPolarHBondContact O-CZ3 3.32Å |
| 813 | T | 54.7 | Low | 50.4 | Low | 69 Ų | 69 | 74 Ų | 74 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 150.2 | -179.4 | 54.9 | 0 | 0 | 0 | 0 | 112 | V808 K811 | V808-T813 PolarHBondContact N-O 2.96Å; V808-T813 PolarHBondContact O-N 3.14Å; K811-T813 HydrophobicContact CB-CG2 4.08Å; K811-T813 WeakPolarHBondContact CB-OG1 3.39Å; K811-T813 PolarHBondContact O-N 2.9Å |
| 814 | W | 51.2 | Low | 49 | Very low | 92 Ų | 92 | 78.8 Ų | 78.8 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.2 | 174.3 | 60.2 | 100.2 | 0 | 0 | 0 | 111.8 | I805 R806 I807 E812 F842 V844 | I805-W814 HydrophobicContact CG2-CB 4.38Å; R806-W814 CarbonylContact O-C 3.5Å; R806-W814 WeakPolarHBondContact O-CA 3.31Å; R806-W814 WeakPolarHBondContact O-CB 3.24Å; I807-W814 HydrophobicContact CG1-CB 3.95Å; E812-W814 WeakPolarHBondContact O-CZ3 3.32Å; W814-F842 PolarHBondContact NE1-O 2.9Å; W814-V844 HydrophobicContact CD2-CB 4.06Å; W814-V844 HydrophobicContact CG-CB 4.15Å; W814-V844 HydrophobicContact CG-CG2 4.22Å; W814-V844 WeakPolarHBondContact CZ3-O 3.38Å |
| 815 | T | 49.7 | Very low | 47.5 | Very low | 85 Ų | 85 | 87.7 Ų | 87.7 | 52% | 0.521 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.3 | 173.7 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | R806 | R806-T815 PolarHBondContact N-O 3.32Å; R806-T815 PolarHBondContact O-N 2.82Å |
| 816 | V | 43.7 | Very low | 45.7 | Very low | 51 Ų | 51 | 96.7 Ų | 96.7 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.5 | -179.3 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | W803 I805 F842 | W803-V816 HydrophobicContact CE3-CG1 4.39Å; I805-V816 HydrophobicContact CG1-CG1 4.37Å; I805-V816 HydrophobicContact CG1-CG2 4.23Å; I805-V816 HydrophobicContact CG2-CG2 4.35Å; V816-F842 HydrophobicContact CG1-CD2 4.49Å |
| 817 | G | 42.4 | Very low | 44.1 | Very low | 17 Ų | 17 | 95.1 Ų | 95.1 | 18% | 0.175 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T804 | T804-G817 PolarHBondContact N-O 2.86Å; T804-G817 PolarHBondContact O-N 2.82Å |
| 818 | S | 40.7 | Very low | 42.5 | Very low | 57 Ų | 57 | 101.3 Ų | 101.3 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.7 | 170.4 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | V820 | S818-V820 VanDerWaalsContact C-N 3.34Å; S818-V820 PolarHBondContact O-N 2.94Å; S818-V820 VanDerWaalsContact O-N 3.08Å |
| 819 | L | 33.3 | Very low | 41.1 | Very low | 66 Ų | 66 | 103.5 Ų | 103.5 | 35% | 0.346 | 53% | 0.534 | S | S | . | . | trans | -92.1 | 65 | -166.6 | -149.3 | 154.9 | 0 | 0 | 0 | 111.7 | L802 K821 W824 | L802-L819 PolarHBondContact O-N 2.85Å; L819-K821 PolarHBondContact O-N 2.86Å; L819-K821 VanDerWaalsContact O-N 3.17Å; L819-W824 HydrophobicContact CD1-CZ2 4.45Å | ||
| 820 | V | 34.5 | Very low | 39.5 | Very low | 113 Ų | 113 | 104.9 Ų | 104.9 | 69% | 0.685 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -74.1 | 106.2 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | S818 G822 | S818-V820 VanDerWaalsContact C-N 3.34Å; S818-V820 PolarHBondContact O-N 2.94Å; S818-V820 VanDerWaalsContact O-N 3.08Å; V820-G822 PolarHBondContact O-N 2.74Å |
| 821 | K | 32.7 | Very low | 37.8 | Very low | 197 Ų | 197 | 104.2 Ų | 104.2 | 86% | 0.857 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | 54.9 | 45.1 | 171.5 | -66 | -170.4 | 172.5 | -173.7 | 0 | 115.6 | L819 V823 | L819-K821 PolarHBondContact O-N 2.86Å; L819-K821 VanDerWaalsContact O-N 3.17Å; K821-V823 PolarHBondContact O-N 3.14Å; K821-V823 VanDerWaalsContact O-N 3.14Å |
| 822 | G | 27.9 | Very low | 36.1 | Very low | 57 Ų | 57 | 100.5 Ų | 100.5 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | 73 | 9.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | V820 | V820-G822 PolarHBondContact O-N 2.74Š|
| 823 | V | 28.3 | Very low | 34.6 | Very low | 108 Ų | 108 | 100.6 Ų | 100.6 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | trans | -128.9 | 102.3 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | K821 R825 | K821-V823 PolarHBondContact O-N 3.14Å; K821-V823 VanDerWaalsContact O-N 3.14Å; V823-R825 HydrophobicContact CG1-CG 4.04Å; V823-R825 PolarHBondContact O-N 3.28Å | ||
| 824 | W | 27.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 106.4 Ų | 106.4 | 59% | 0.591 | 56% | 0.559 | S | S | * | * | trans | -74 | 99.1 | 170.3 | -71.4 | 93.5 | 0 | 0 | 0 | 111.2 | L819 R826 L832 | L819-W824 HydrophobicContact CD1-CZ2 4.45Å; W824-R826 PolarHBondContact O-N 2.81Å; W824-L832 HydrophobicContact CB-CD2 4.22Å; W824-L832 HydrophobicContact CE3-CD1 4.43Å; W824-L832 HydrophobicContact CE3-CD2 4.32Å | ||
| 825 | R | 26.6 | Very low | 32.1 | Very low | 197 Ų | 197 | 106.8 Ų | 106.8 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | trans | -80.9 | 96.9 | -179 | -65.8 | -171.6 | -179.9 | -167 | -0.5 | 112.7 | V823 K833 | V823-R825 HydrophobicContact CG1-CG 4.04Å; V823-R825 PolarHBondContact O-N 3.28Å; R825-K833 PolarHBondContact O-N 2.81Å | ||
| 826 | R | 25 | Very low | 30.9 | Very low | 191 Ų | 191 | 109.5 Ų | 109.5 | 72% | 0.721 | 58% | 0.584 | S | S | * | * | B | Isolated β-bridge | trans | -62.4 | 150.7 | 156.9 | -69.8 | -178.5 | 179.1 | 170.1 | -0.7 | 110 | W824 L832 | W824-R826 PolarHBondContact O-N 2.81Å; R826-L832 HydrophobicContact CB-CD2 4.46Å; R826-L832 HydrophobicContact CG-CD2 3.57Å; R826-L832 HydrophobicContact CG-CG 3.95Å |
| 827 | N | 31 | Very low | 30.1 | Very low | 60 Ų | 60 | 117.1 Ų | 117.1 | 32% | 0.321 | 61% | 0.613 | S | S | . | * | trans | -106.1 | 174.6 | 164.7 | 74.9 | -32.8 | 0 | 0 | 0 | 111.2 | S829 G830 I831 K833 | N827-S829 PolarHBondContact O-N 3.02Å; N827-S829 PolarHBondContact OD1-OG 3.49Å; N827-G830 PolarHBondContact O-N 2.84Å; N827-I831 PolarHBondContact N-O 3.12Å; N827-I831 VanDerWaalsContact N-O 3.15Å; N827-I831 PolarHBondContact OD1-O 2.81Å; N827-K833 HydrophobicContact CB-CD 4.46Å; N827-K833 HydrophobicContact CB-CG 4.24Å | ||
| 828 | S | 33.6 | Very low | 29.5 | Very low | 133 Ų | 133 | 119.9 Ų | 119.9 | 93% | 0.93 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.1 | -170.4 | 43.3 | 0 | 0 | 0 | 0 | 115.8 | G830 | S828-G830 VanDerWaalsContact C-N 3.3Š|
| 829 | S | 39 | Very low | 28.9 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 16.2 | 172.8 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | N827 I831 | N827-S829 PolarHBondContact O-N 3.02Å; N827-S829 PolarHBondContact OD1-OG 3.49Å; S829-I831 PolarHBondContact O-N 2.79Å |
| 830 | G | 26.9 | Very low | 28.9 | Very low | 56 Ų | 56 | 118.9 Ų | 118.9 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 76.3 | -14.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N827 S828 | N827-G830 PolarHBondContact O-N 2.84Å; S828-G830 VanDerWaalsContact C-N 3.3Å |
| 831 | I | 27.2 | Very low | 29 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 59% | 0.59 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -84.4 | 146.8 | -178.5 | -58.8 | 175.6 | 0 | 0 | 0 | 110.1 | N827 S829 | N827-I831 PolarHBondContact N-O 3.12Å; N827-I831 VanDerWaalsContact N-O 3.15Å; N827-I831 PolarHBondContact OD1-O 2.81Å; S829-I831 PolarHBondContact O-N 2.79Å |
| 832 | L | 23.7 | Very low | 29.5 | Very low | 72 Ų | 72 | 107.3 Ų | 107.3 | 38% | 0.377 | 59% | 0.585 | S | S | . | * | B | Isolated β-bridge | trans | -73.3 | 127.1 | 172.2 | -83.1 | 163.9 | 0 | 0 | 0 | 110 | W824 R826 F834 | W824-L832 HydrophobicContact CB-CD2 4.22Å; W824-L832 HydrophobicContact CE3-CD1 4.43Å; W824-L832 HydrophobicContact CE3-CD2 4.32Å; R826-L832 HydrophobicContact CB-CD2 4.46Å; R826-L832 HydrophobicContact CG-CD2 3.57Å; R826-L832 HydrophobicContact CG-CG 3.95Å; L832-F834 PolarHBondContact O-N 2.92Å; L832-F834 VanDerWaalsContact O-N 3.07Å |
| 833 | K | 27.5 | Very low | 30.4 | Very low | 142 Ų | 142 | 106.5 Ų | 106.5 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | trans | -68.1 | 107.8 | 166.8 | -92.3 | -170.9 | 171.6 | -174.8 | 0 | 108.2 | R825 N827 P835 | R825-K833 PolarHBondContact O-N 2.81Å; N827-K833 HydrophobicContact CB-CD 4.46Å; N827-K833 HydrophobicContact CB-CG 4.24Å; K833-P835 WeakPolarHBondContact O-CD 3.49Å; K833-P835 VanDerWaalsContact O-N 3.1Å | ||
| 834 | F | 25 | Very low | 31.5 | Very low | 191 Ų | 191 | 101.4 Ų | 101.4 | 84% | 0.838 | 54% | 0.538 | S | S | * | . | trans | -51.1 | 112.5 | 168.3 | -79.3 | -93.2 | 0 | 0 | 0 | 110.2 | L832 | L832-F834 PolarHBondContact O-N 2.92Å; L832-F834 VanDerWaalsContact O-N 3.07Å | ||
| 835 | P | 28.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 99.7 Ų | 99.7 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | trans | -77.6 | 123.7 | 169.7 | -2.7 | 21.8 | 0 | 0 | 0 | 107.7 | K833 | K833-P835 WeakPolarHBondContact O-CD 3.49Å; K833-P835 VanDerWaalsContact O-N 3.1Å | ||
| 836 | L | 23.7 | Very low | 34.2 | Very low | 141 Ų | 141 | 92.2 Ų | 92.2 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | trans | 63 | 120.4 | 176.8 | -60 | 157.8 | 0 | 0 | 0 | 115.1 | V838 | L836-V838 HydrophobicContact CB-CG2 3.7Å; L836-V838 PolarHBondContact O-N 2.81Å | ||
| 837 | K | 27.6 | Very low | 35.6 | Very low | 212 Ų | 212 | 90.2 Ų | 90.2 | 92% | 0.922 | 50% | 0.502 | S | S | * | . | trans | -67.9 | 76.5 | 151.9 | -77.9 | -175 | 174.3 | -177.9 | 0 | 108.6 | A839 | K837-A839 PolarHBondContact O-N 2.84Š| ||
| 838 | V | 29 | Very low | 36.8 | Very low | 75 Ų | 75 | 93.1 Ų | 93.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -71.1 | 89.7 | 163.8 | -171.7 | 0 | 0 | 0 | 0 | 106.3 | L836 G840 L866 | L836-V838 HydrophobicContact CB-CG2 3.7Å; L836-V838 PolarHBondContact O-N 2.81Å; V838-G840 PolarHBondContact O-N 2.79Å; V838-L866 HydrophobicContact CG1-CD1 3.58Å | ||
| 839 | A | 29.6 | Very low | 37.5 | Very low | 90 Ų | 90 | 91.8 Ų | 91.8 | 74% | 0.744 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -73 | 35 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K837 L864 | K837-A839 PolarHBondContact O-N 2.84Å; A839-L864 HydrophobicContact CB-CD1 4.25Å; A839-L864 WeakPolarHBondContact O-CD1 3.42Å |
| 840 | G | 31.7 | Very low | 37.9 | Very low | 11 Ų | 11 | 96.1 Ų | 96.1 | 11% | 0.113 | 51% | 0.508 | C | S | . | . | trans | -164.9 | 76.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | V838 I860 | V838-G840 PolarHBondContact O-N 2.79Å; G840-I860 VanDerWaalsContact CA-CD1 3.44Å; G840-I860 WeakPolarHBondContact O-CD1 3.1Å | ||
| 841 | G | 36.7 | Very low | 38.8 | Very low | 44 Ų | 44 | 95.1 Ų | 95.1 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | trans | -76.2 | 139 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P843 I860 | G841-P843 WeakPolarHBondContact O-CD 3.22Å; G841-I860 WeakPolarHBondContact O-CD1 3.33Å | ||
| 842 | F | 43.7 | Very low | 39.9 | Very low | 24 Ų | 24 | 91.3 Ų | 91.3 | 11% | 0.105 | 48% | 0.479 | C | S | . | . | trans | -55.1 | 124.8 | 177 | -66.2 | -82.8 | 0 | 0 | 0 | 110.2 | W814 V816 V844 V857 L868 | W814-F842 PolarHBondContact NE1-O 2.9Å; V816-F842 HydrophobicContact CG1-CD2 4.49Å; F842-V844 PolarHBondContact O-N 2.9Å; F842-V844 VanDerWaalsContact O-N 3.13Å; F842-V857 HydrophobicContact CB-CG1 4.08Å; F842-V857 HydrophobicContact CG-CG1 4.46Å; F842-L868 HydrophobicContact CD1-CD1 4.5Å; F842-L868 HydrophobicContact CE1-CD1 3.74Å; F842-L868 HydrophobicContact CE1-CD2 4.47Å; F842-L868 HydrophobicContact CE1-CG 3.79Å; F842-L868 HydrophobicContact CZ-CD1 4.34Å; F842-L868 HydrophobicContact CZ-CD2 4.26Å; F842-L868 HydrophobicContact CZ-CG 3.93Å | ||
| 843 | P | 46.7 | Very low | 41.5 | Very low | 40 Ų | 40 | 88 Ų | 88 | 26% | 0.26 | 46% | 0.462 | S | S | . | . | trans | -66.6 | 111.1 | 173 | 22.9 | -31.4 | 0 | 0 | 0 | 109.8 | G841 D858 | G841-P843 WeakPolarHBondContact O-CD 3.22Å; P843-D858 WeakPolarHBondContact CD-O 3.44Å; P843-D858 HydrophobicContact CG-CB 4.14Å; P843-D858 WeakPolarHBondContact O-CB 3.3Å; P843-D858 PolarHBondContact O-N 2.86Å | ||
| 844 | V | 51 | Low | 42.5 | Very low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.006 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 96.6 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | I805 I807 W814 F842 L846 A855 F856 V857 | I805-V844 HydrophobicContact CD1-CG2 4.35Å; I805-V844 HydrophobicContact CG2-CG2 4.08Å; I807-V844 HydrophobicContact CD1-CG1 3.93Å; W814-V844 HydrophobicContact CD2-CB 4.06Å; W814-V844 HydrophobicContact CG-CB 4.15Å; W814-V844 HydrophobicContact CG-CG2 4.22Å; W814-V844 WeakPolarHBondContact CZ3-O 3.38Å; F842-V844 PolarHBondContact O-N 2.9Å; F842-V844 VanDerWaalsContact O-N 3.13Å; V844-L846 HydrophobicContact CG1-CD2 4.36Å; V844-L846 HydrophobicContact CG1-CG 4.36Å; V844-L846 PolarHBondContact O-N 3.03Å; V844-A855 HydrophobicContact CG1-CB 4.1Å; V844-F856 CarbonylContact C-O 3.45Å; V844-F856 WeakPolarHBondContact CA-O 3.44Å; V844-V857 HydrophobicContact CG1-CG2 4.4Å; V844-V857 HydrophobicContact CG2-CG1 4.45Å; V844-V857 HydrophobicContact CG2-CG2 4.23Å |
| 845 | K | 57.3 | Low | 44.2 | Very low | 120 Ų | 120 | 73.9 Ų | 73.9 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 114.7 | 174.2 | -69.2 | 163.2 | -176.3 | 155.3 | 0 | 107.7 | F856 D858 | K845-F856 HydrophobicContact CB-CB 4.27Å; K845-F856 PolarHBondContact N-O 2.92Å; K845-F856 WeakPolarHBondContact O-CD2 3.12Å; K845-F856 PolarHBondContact O-N 2.86Å; K845-D858 IonicContact NZ-OD2 2.6Å; K845-D858 PolarHBondContact NZ-OD2 3.17Å |
| 846 | L | 53.4 | Low | 45.3 | Very low | 39 Ų | 39 | 72.1 Ų | 72.1 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.2 | 175 | -67.7 | 158.8 | 0 | 0 | 0 | 109.2 | F791 I807 V844 I853 L854 A855 | F791-L846 HydrophobicContact CZ-CD2 4.42Å; I807-L846 HydrophobicContact CD1-CD2 4.26Å; I807-L846 HydrophobicContact CG2-CD1 3.51Å; I807-L846 HydrophobicContact CG2-CD2 4.21Å; I807-L846 HydrophobicContact CG2-CG 4.49Å; V844-L846 HydrophobicContact CG1-CD2 4.36Å; V844-L846 HydrophobicContact CG1-CG 4.36Å; V844-L846 PolarHBondContact O-N 3.03Å; L846-I853 HydrophobicContact CD2-CG2 3.73Å; L846-L854 CarbonylContact C-O 3.53Å; L846-L854 WeakPolarHBondContact CA-O 3.32Å; L846-A855 HydrophobicContact CD2-CB 3.7Å |
| 847 | R | 54.9 | Low | 46.8 | Very low | 149 Ų | 149 | 66 Ų | 66 | 56% | 0.562 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 105.6 | 174 | -167.8 | 179 | -169.9 | 176.2 | 4.7 | 110.4 | L854 F856 | R847-L854 HydrophobicContact CB-CB 4.39Å; R847-L854 PolarHBondContact N-O 2.83Å; R847-L854 PolarHBondContact O-N 2.92Å; R847-F856 HydrophobicContact CB-CE2 4.43Å |
| 848 | K | 55.2 | Low | 47.7 | Very low | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.1 | 177.5 | -176.8 | 162.3 | 163.2 | 163.9 | 0 | 110.2 | E784 T852 | E784-K848 IonicContact OE1-NZ 2.74Å; E784-K848 PolarHBondContact OE1-NZ 2.61Å; E784-K848 WeakPolarHBondContact OE2-CD 3.42Å; E784-K848 WeakPolarHBondContact OE2-CE 3.34Å; E784-K848 IonicContact OE2-NZ 3.78Å; E784-K848 PolarHBondContact OE2-NZ 2.68Å; K848-T852 CarbonylContact C-O 3.56Å; K848-T852 WeakPolarHBondContact CA-O 3.34Å |
| 849 | Q | 48.2 | Very low | 48.4 | Very low | 105 Ų | 105 | 57.3 Ų | 57.3 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.6 | 172.7 | -80.9 | -170.9 | -49.4 | 0 | 0 | 109.7 | G851 T852 | Q849-G851 PolarHBondContact O-N 3.39Å; Q849-T852 PolarHBondContact N-O 2.81Å; Q849-T852 WeakPolarHBondContact O-CA 3.4Å; Q849-T852 VanDerWaalsContact O-CB 3.32Å; Q849-T852 WeakPolarHBondContact O-CB 3.4Å; Q849-T852 PolarHBondContact O-N 3.05Å |
| 850 | N | 48.3 | Very low | 48.7 | Very low | 171 Ų | 171 | 55.9 Ų | 55.9 | 91% | 0.914 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 51.9 | 174.9 | -61.1 | 3.2 | 0 | 0 | 0 | 114 | T852 | N850-T852 PolarHBondContact O-N 2.78Š|
| 851 | G | 46.7 | Very low | 48.7 | Very low | 34 Ų | 34 | 58.1 Ų | 58.1 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E784 Q849 | E784-G851 PolarHBondContact N-O 3.28Å; Q849-G851 PolarHBondContact O-N 3.39Å |
| 852 | T | 49.7 | Very low | 48.5 | Very low | 36 Ų | 36 | 63.9 Ų | 63.9 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.5 | 171.7 | -52.1 | 0 | 0 | 0 | 0 | 109.5 | K781 L782 K848 Q849 N850 | K781-T852 HydrophobicContact CG-CG2 3.55Å; L782-T852 CarbonylContact O-C 3.54Å; L782-T852 VanDerWaalsContact O-CA 3.3Å; L782-T852 WeakPolarHBondContact O-CA 3.39Å; L782-T852 WeakPolarHBondContact O-CG2 3.39Å; K848-T852 CarbonylContact C-O 3.56Å; K848-T852 WeakPolarHBondContact CA-O 3.34Å; Q849-T852 PolarHBondContact N-O 2.81Å; Q849-T852 WeakPolarHBondContact O-CA 3.4Å; Q849-T852 VanDerWaalsContact O-CB 3.32Å; Q849-T852 WeakPolarHBondContact O-CB 3.4Å; Q849-T852 PolarHBondContact O-N 3.05Å; N850-T852 PolarHBondContact O-N 2.78Å |
| 853 | I | 56 | Low | 48 | Very low | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.6 | 171.3 | -59.9 | 148.1 | 0 | 0 | 0 | 107.2 | L782 E784 F791 L809 L846 V882 | L782-I853 HydrophobicContact CB-CB 4.34Å; L782-I853 PolarHBondContact N-O 2.92Å; L782-I853 PolarHBondContact O-N 2.88Å; E784-I853 HydrophobicContact CB-CD1 3.84Å; E784-I853 HydrophobicContact CB-CG1 4.48Å; E784-I853 HydrophobicContact CG-CD1 4.08Å; F791-I853 HydrophobicContact CE1-CD1 4.47Å; F791-I853 HydrophobicContact CZ-CG2 4.47Å; L809-I853 HydrophobicContact CD1-CD1 3.89Å; L809-I853 HydrophobicContact CD2-CD1 3.68Å; L809-I853 HydrophobicContact CD2-CG1 4.11Å; L809-I853 HydrophobicContact CG-CD1 4.43Å; L846-I853 HydrophobicContact CD2-CG2 3.73Å; I853-V882 HydrophobicContact CD1-CG1 3.95Å |
| 854 | L | 50.4 | Low | 47.1 | Very low | 35 Ų | 35 | 72.6 Ų | 72.6 | 18% | 0.183 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.1 | 166.7 | -68.9 | 166.4 | 0 | 0 | 0 | 108.4 | L779 L780 K781 L846 R847 F856 | L779-L854 HydrophobicContact CD1-CD2 4.32Å; L780-L854 CarbonylContact O-C 3.57Å; L780-L854 WeakPolarHBondContact O-CA 3.45Å; K781-L854 HydrophobicContact CB-CD2 3.98Å; K781-L854 HydrophobicContact CG-CD2 3.88Å; L846-L854 CarbonylContact C-O 3.53Å; L846-L854 WeakPolarHBondContact CA-O 3.32Å; R847-L854 HydrophobicContact CB-CB 4.39Å; R847-L854 PolarHBondContact N-O 2.83Å; R847-L854 PolarHBondContact O-N 2.92Å; L854-F856 HydrophobicContact CB-CD2 4.38Å; L854-F856 HydrophobicContact CB-CE2 3.7Å; L854-F856 HydrophobicContact CB-CZ 4.37Å |
| 855 | A | 59.2 | Low | 46 | Very low | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.008 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L780 V844 L846 | L780-A855 HydrophobicContact CB-CB 4.28Å; L780-A855 PolarHBondContact N-O 3.21Å; L780-A855 PolarHBondContact O-N 2.91Å; V844-A855 HydrophobicContact CG1-CB 4.1Å; L846-A855 HydrophobicContact CD2-CB 3.7Å |
| 856 | F | 53 | Low | 44.7 | Very low | 64 Ų | 64 | 80 Ų | 80 | 28% | 0.281 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 107.8 | 175.2 | -60.8 | -104.9 | 0 | 0 | 0 | 108 | L779 V844 K845 R847 L854 D858 | L779-F856 HydrophobicContact CD1-CD1 3.68Å; L779-F856 HydrophobicContact CD1-CE1 3.34Å; L779-F856 HydrophobicContact CD1-CE2 4.23Å; L779-F856 HydrophobicContact CD1-CG 4.26Å; L779-F856 HydrophobicContact CD1-CZ 3.64Å; V844-F856 CarbonylContact C-O 3.45Å; V844-F856 WeakPolarHBondContact CA-O 3.44Å; K845-F856 HydrophobicContact CB-CB 4.27Å; K845-F856 PolarHBondContact N-O 2.92Å; K845-F856 WeakPolarHBondContact O-CD2 3.12Å; K845-F856 PolarHBondContact O-N 2.86Å; R847-F856 HydrophobicContact CB-CE2 4.43Å; L854-F856 HydrophobicContact CB-CD2 4.38Å; L854-F856 HydrophobicContact CB-CE2 3.7Å; L854-F856 HydrophobicContact CB-CZ 4.37Å; F856-D858 PolarHBondContact O-N 3.14Å |
| 857 | V | 54.9 | Low | 43.6 | Very low | 13 Ų | 13 | 85.8 Ų | 85.8 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 111 | 173.2 | -171.3 | 0 | 0 | 0 | 0 | 108.1 | V778 I805 F842 V844 | V778-V857 HydrophobicContact CB-CB 4.32Å; V778-V857 PolarHBondContact N-O 2.9Å; V778-V857 PolarHBondContact O-N 3.21Å; I805-V857 HydrophobicContact CD1-CG1 4.27Å; I805-V857 HydrophobicContact CD1-CG2 4.36Å; F842-V857 HydrophobicContact CB-CG1 4.08Å; F842-V857 HydrophobicContact CG-CG1 4.46Å; V844-V857 HydrophobicContact CG1-CG2 4.4Å; V844-V857 HydrophobicContact CG2-CG1 4.45Å; V844-V857 HydrophobicContact CG2-CG2 4.23Å |
| 858 | D | 45.8 | Very low | 42.7 | Very low | 23 Ų | 23 | 82.1 Ų | 82.1 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | trans | -112.7 | 159.5 | -168.7 | -166.7 | 5.9 | 0 | 0 | 0 | 111.2 | P843 K845 F856 | P843-D858 WeakPolarHBondContact CD-O 3.44Å; P843-D858 HydrophobicContact CG-CB 4.14Å; P843-D858 WeakPolarHBondContact O-CB 3.3Å; P843-D858 PolarHBondContact O-N 2.86Å; K845-D858 IonicContact NZ-OD2 2.6Å; K845-D858 PolarHBondContact NZ-OD2 3.17Å; F856-D858 PolarHBondContact O-N 3.14Å | ||
| 859 | K | 44.7 | Very low | 41.9 | Very low | 81 Ų | 81 | 78.8 Ų | 78.8 | 35% | 0.352 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 143.6 | -171.5 | -161.4 | 179.8 | 179.6 | -171.8 | 0 | 110.9 | ||
| 860 | I | 34.2 | Very low | 41.3 | Very low | 59 Ų | 59 | 81.6 Ų | 81.6 | 30% | 0.303 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 130.9 | -174.7 | -56.1 | 173.7 | 0 | 0 | 0 | 110.9 | G840 G841 N862 | G840-I860 VanDerWaalsContact CA-CD1 3.44Å; G840-I860 WeakPolarHBondContact O-CD1 3.1Å; G841-I860 WeakPolarHBondContact O-CD1 3.33Å; I860-N862 PolarHBondContact O-N 3.4Å |
| 861 | G | 32.2 | Very low | 41.1 | Very low | 59 Ų | 59 | 80.8 Ų | 80.8 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 120.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N863 | G861-N863 VanDerWaalsContact C-N 3.33Å; G861-N863 PolarHBondContact O-N 3.13Å |
| 862 | N | 33.8 | Very low | 41.1 | Very low | 165 Ų | 165 | 83.1 Ų | 83.1 | 88% | 0.882 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 54.5 | -12.3 | 150 | -66.9 | -1.2 | 0 | 0 | 0 | 122.9 | I860 | I860-N862 PolarHBondContact O-N 3.4Š|
| 863 | N | 31.4 | Very low | 40.7 | Very low | 156 Ų | 156 | 83.2 Ų | 83.2 | 83% | 0.834 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -118.1 | -2.3 | -172.2 | -100.3 | -25.3 | 0 | 0 | 0 | 118.2 | G861 | G861-N863 VanDerWaalsContact C-N 3.33Å; G861-N863 PolarHBondContact O-N 3.13Å |
| 864 | L | 28.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 86.7 Ų | 86.7 | 47% | 0.471 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -138.5 | 131.7 | 171 | -79 | 173.4 | 0 | 0 | 0 | 111.7 | A839 L866 | A839-L864 HydrophobicContact CB-CD1 4.25Å; A839-L864 WeakPolarHBondContact O-CD1 3.42Å; L864-L866 PolarHBondContact O-N 3.33Å |
| 865 | K | 28.5 | Very low | 40.4 | Very low | 213 Ų | 213 | 90.4 Ų | 90.4 | 93% | 0.926 | 46% | 0.456 | S | S | * | . | trans | -75.2 | 44 | -176.9 | -67.6 | -172.1 | 175.9 | -178.4 | 0 | 114.2 | Q867 | K865-Q867 VanDerWaalsContact C-N 3.27Å; K865-Q867 PolarHBondContact O-N 3.48Å; K865-Q867 VanDerWaalsContact O-N 3.09Å | ||
| 866 | L | 28.9 | Very low | 40.3 | Very low | 64 Ų | 64 | 91 Ų | 91 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | trans | -82.8 | 76.8 | 168.6 | -83.9 | 151.1 | 0 | 0 | 0 | 109.6 | V838 L864 L868 | V838-L866 HydrophobicContact CG1-CD1 3.58Å; L864-L866 PolarHBondContact O-N 3.33Å; L866-L868 PolarHBondContact O-N 3.08Å; L866-L868 VanDerWaalsContact O-N 3.15Å | ||
| 867 | Q | 32.2 | Very low | 40.5 | Very low | 161 Ų | 161 | 89.7 Ų | 89.7 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | trans | -64 | 110.7 | 161.8 | -73.3 | 178.6 | -29.2 | 0 | 0 | 108.2 | K865 | K865-Q867 VanDerWaalsContact C-N 3.27Å; K865-Q867 PolarHBondContact O-N 3.48Å; K865-Q867 VanDerWaalsContact O-N 3.09Å | ||
| 868 | L | 36 | Very low | 40.9 | Very low | 71 Ų | 71 | 90.3 Ų | 90.3 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | trans | -47.8 | 126.1 | 147.6 | -92.3 | 162.8 | 0 | 0 | 0 | 106.7 | F842 L866 E870 | F842-L868 HydrophobicContact CD1-CD1 4.5Å; F842-L868 HydrophobicContact CE1-CD1 3.74Å; F842-L868 HydrophobicContact CE1-CD2 4.47Å; F842-L868 HydrophobicContact CE1-CG 3.79Å; F842-L868 HydrophobicContact CZ-CD1 4.34Å; F842-L868 HydrophobicContact CZ-CD2 4.26Å; F842-L868 HydrophobicContact CZ-CG 3.93Å; L866-L868 PolarHBondContact O-N 3.08Å; L866-L868 VanDerWaalsContact O-N 3.15Å; L868-E870 PolarHBondContact O-N 3.25Å | ||
| 869 | P | 37.8 | Very low | 41.5 | Very low | 51 Ų | 51 | 94.4 Ų | 94.4 | 33% | 0.331 | 48% | 0.479 | S | S | . | . | trans | -52.9 | 138.1 | -179.3 | -27.2 | 35 | 0 | 0 | 0 | 110.7 | K871 | P869-K871 HydrophobicContact CB-CB 4.27Å; P869-K871 PolarHBondContact O-N 3.33Å; P869-K871 VanDerWaalsContact O-N 3.14Å | ||
| 870 | E | 35.4 | Very low | 42.3 | Very low | 165 Ų | 165 | 93 Ų | 93 | 77% | 0.771 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -60.6 | -25.3 | 174.3 | -62.5 | -177.9 | 121.2 | 0 | 0 | 111.4 | R776 L868 V872 | R776-E870 PolarHBondContact NH1-O 2.75Å; L868-E870 PolarHBondContact O-N 3.25Å; E870-V872 PolarHBondContact O-N 2.81Å |
| 871 | K | 45 | Very low | 43.8 | Very low | 154 Ų | 154 | 94.2 Ų | 94.2 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -62.7 | 121.6 | 170.4 | -59.7 | -170.9 | 176.5 | -171.7 | 0 | 110.7 | A798 P869 | A798-K871 HydrophobicContact CB-CB 4.33Å; P869-K871 HydrophobicContact CB-CB 4.27Å; P869-K871 PolarHBondContact O-N 3.33Å; P869-K871 VanDerWaalsContact O-N 3.14Å |
| 872 | V | 45 | Very low | 45.2 | Very low | 82 Ų | 82 | 91.9 Ų | 91.9 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 146.8 | -167.2 | -165.8 | 0 | 0 | 0 | 0 | 113.7 | A798 E870 Q874 | A798-V872 VanDerWaalsContact CB-O 3.3Å; A798-V872 WeakPolarHBondContact CB-O 3.36Å; A798-V872 PolarHBondContact N-O 3.41Å; A798-V872 VanDerWaalsContact N-O 3.17Å; E870-V872 PolarHBondContact O-N 2.81Å; V872-Q874 PolarHBondContact O-N 2.96Å |
| 873 | L | 42.8 | Very low | 46.3 | Very low | 39 Ų | 39 | 86.8 Ų | 86.8 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 118.5 | 163.7 | -85.7 | 155.2 | 0 | 0 | 0 | 109.5 | V778 L795 E796 L889 | V778-L873 HydrophobicContact CG2-CD1 3.7Å; L795-L873 HydrophobicContact CB-CD2 3.88Å; L795-L873 HydrophobicContact CD2-CD2 4.36Å; E796-L873 CarbonylContact O-C 3.58Å; L873-L889 HydrophobicContact CD1-CD1 4.47Å |
| 874 | Q | 47.6 | Very low | 47.4 | Very low | 75 Ų | 75 | 80.8 Ų | 80.8 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -37.6 | 178.8 | -79 | -168.4 | 1.6 | 0 | 0 | 112.7 | E796 A798 V872 L912 | E796-Q874 PolarHBondContact O-N 3.23Å; A798-Q874 HydrophobicContact CB-CG 3.91Å; V872-Q874 PolarHBondContact O-N 2.96Å; Q874-L912 WeakPolarHBondContact O-CD2 3.36Å |
| 875 | R | 51.5 | Low | 48.4 | Very low | 113 Ų | 113 | 84.1 Ų | 84.1 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.5 | -175.1 | -126.1 | 175.5 | -175.7 | -172.7 | -0.1 | 111.4 | E796 E913 | E796-R875 HydrophobicContact CB-CB 3.91Å; E796-R875 PolarHBondContact N-O 3.49Å; E796-R875 PolarHBondContact O-N 3.46Å; E796-R875 WeakPolarHBondContact OE2-CB 3.42Å; R875-E913 IonicContact CZ-OE2 3.33Å; R875-E913 IonicContact NE-OE2 2.74Å; R875-E913 IonicContact NH2-OE2 2.67Å; R875-E913 PolarHBondContact NH2-OE2 3.37Å |
| 876 | V | 56.9 | Low | 49.6 | Very low | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.085 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 109.4 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | L780 V793 D794 L795 L912 | L780-V876 HydrophobicContact CD1-CG1 4.21Å; L780-V876 HydrophobicContact CD2-CG1 3.88Å; V793-V876 HydrophobicContact CG1-CG1 3.88Å; D794-V876 WeakPolarHBondContact O-CA 3.43Å; L795-V876 HydrophobicContact CD2-CB 4.17Å; L795-V876 HydrophobicContact CD2-CG1 3.66Å; L795-V876 HydrophobicContact CD2-CG2 3.66Å; V876-L912 HydrophobicContact CG2-CD2 4.47Å |
| 877 | S | 58.8 | Low | 50.5 | Low | 36 Ų | 36 | 76.1 Ų | 76.1 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.2 | 179.3 | 55 | 0 | 0 | 0 | 0 | 110.1 | D794 | D794-S877 WeakPolarHBondContact CB-OG 3.21Å; D794-S877 PolarHBondContact N-O 3.19Å; D794-S877 PolarHBondContact O-N 2.89Å |
| 878 | V | 62.1 | Low | 51.3 | Low | 25 Ų | 25 | 73.5 Ų | 73.5 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | -177 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | L782 F791 E792 V793 V882 A884 | L782-V878 HydrophobicContact CD1-CG1 4.39Å; L782-V878 HydrophobicContact CD2-CG1 4.43Å; L782-V878 HydrophobicContact CD2-CG2 4.12Å; F791-V878 HydrophobicContact CD2-CG1 4Å; E792-V878 CarbonylContact O-C 3.57Å; E792-V878 WeakPolarHBondContact O-CA 3.37Å; V793-V878 HydrophobicContact CG1-CG2 4.49Å; V793-V878 HydrophobicContact CG2-CG1 4.35Å; V793-V878 HydrophobicContact CG2-CG2 4.32Å; V878-V882 HydrophobicContact CG1-CG2 3.57Å; V878-A884 HydrophobicContact CB-CB 4.4Å; V878-A884 HydrophobicContact CG2-CB 4.14Å |
| 879 | K | 59.2 | Low | 51.8 | Low | 110 Ų | 110 | 73.3 Ų | 73.3 | 48% | 0.478 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.9 | -175.2 | -67 | 169 | 178.6 | 165.7 | 0 | 110 | F791 E792 D794 | F791-K879 CarbonylContact C-O 3.51Å; F791-K879 VanDerWaalsContact CA-O 3.24Å; F791-K879 WeakPolarHBondContact CA-O 3.45Å; F791-K879 VanDerWaalsContact CB-O 3.28Å; F791-K879 WeakPolarHBondContact CB-O 3.41Å; E792-K879 HydrophobicContact CB-CB 4.45Å; E792-K879 PolarHBondContact N-O 3.02Å; E792-K879 PolarHBondContact O-N 3.42Å; D794-K879 WeakPolarHBondContact OD2-CE 3.46Å; D794-K879 IonicContact OD2-NZ 3.42Å; D794-K879 PolarHBondContact OD2-NZ 2.83Å |
| 880 | G | 60.7 | Low | 52.1 | Low | 52 Ų | 52 | 72.2 Ų | 72.2 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.3 | -169.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V882 | G880-V882 PolarHBondContact O-N 2.82Å |
| 881 | D | 65.2 | Low | 52.5 | Low | 83 Ų | 83 | 66.5 Ų | 66.5 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.9 | 44.1 | -160.7 | -57.8 | -39.9 | 0 | 0 | 0 | 114.5 | L785 A788 | L785-D881 HydrophobicContact CB-CB 4.37Å; L785-D881 VanDerWaalsContact CB-O 3.29Å; L785-D881 WeakPolarHBondContact CB-O 3.49Å; L785-D881 PolarHBondContact N-O 2.77Å; L785-D881 VanDerWaalsContact N-O 3.09Å; A788-D881 HydrophobicContact CB-CB 3.53Å; A788-D881 VanDerWaalsContact CB-O 3.29Å; A788-D881 WeakPolarHBondContact CB-O 3.47Å |
| 882 | V | 61.6 | Low | 52.3 | Low | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.4 | 179 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | L782 Q783 F791 L809 I853 V878 G880 | L782-V882 HydrophobicContact CB-CB 4.24Å; L782-V882 HydrophobicContact CB-CG2 4.47Å; L782-V882 HydrophobicContact CD1-CG2 4.09Å; Q783-V882 CarbonylContact O-C 3.56Å; Q783-V882 VanDerWaalsContact O-CA 3.29Å; Q783-V882 WeakPolarHBondContact O-CA 3.41Å; F791-V882 HydrophobicContact CB-CG1 4.37Å; F791-V882 HydrophobicContact CB-CG2 3.6Å; F791-V882 HydrophobicContact CD1-CG1 3.83Å; F791-V882 HydrophobicContact CD1-CG2 4.09Å; F791-V882 HydrophobicContact CD2-CG2 3.83Å; F791-V882 HydrophobicContact CE1-CG1 4.33Å; F791-V882 HydrophobicContact CE2-CG2 4.49Å; F791-V882 HydrophobicContact CG-CG1 4.17Å; F791-V882 HydrophobicContact CG-CG2 3.59Å; L809-V882 HydrophobicContact CD1-CG1 4.35Å; I853-V882 HydrophobicContact CD1-CG1 3.95Å; V878-V882 HydrophobicContact CG1-CG2 3.57Å; G880-V882 PolarHBondContact O-N 2.82Å |
| 883 | I | 57.6 | Low | 51.8 | Low | 57 Ų | 57 | 61.4 Ų | 61.4 | 29% | 0.292 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.4 | 176.6 | -61.5 | 176.8 | 0 | 0 | 0 | 109.1 | L782 Q783 L785 R885 | L782-I883 CarbonylContact C-O 3.42Å; L782-I883 WeakPolarHBondContact CA-O 3.37Å; Q783-I883 HydrophobicContact CB-CB 4.46Å; Q783-I883 PolarHBondContact N-O 2.88Å; Q783-I883 PolarHBondContact O-N 2.65Å; L785-I883 HydrophobicContact CD1-CG1 4.42Å; L785-I883 HydrophobicContact CD2-CD1 3.89Å; L785-I883 HydrophobicContact CD2-CG1 4.15Å; L785-I883 HydrophobicContact CG-CG1 4.37Å; I883-R885 HydrophobicContact CG2-CG 4.5Å; I883-R885 PolarHBondContact O-N 2.88Å |
| 884 | A | 54.6 | Low | 51.6 | Low | 30 Ų | 30 | 67 Ų | 67 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 108 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L782 V878 A914 | L782-A884 HydrophobicContact CD2-CB 3.78Å; V878-A884 HydrophobicContact CB-CB 4.4Å; V878-A884 HydrophobicContact CG2-CB 4.14Å; A884-A914 HydrophobicContact CB-CB 4.49Å |
| 885 | R | 49.9 | Very low | 51 | Low | 160 Ų | 160 | 69 Ų | 69 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | -27 | 178.5 | -76.5 | -172.1 | 171.7 | -94.7 | 2.3 | 113.6 | K781 I883 | K781-R885 WeakPolarHBondContact O-CB 3.26Å; K781-R885 PolarHBondContact O-N 3.43Å; I883-R885 HydrophobicContact CG2-CG 4.5Å; I883-R885 PolarHBondContact O-N 2.88Å |
| 886 | E | 52 | Low | 50 | Low | 66 Ų | 66 | 69.3 Ų | 69.3 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 139.5 | -177 | -144.1 | 174.6 | 166.7 | 0 | 0 | 111 | K781 R888 | K781-E886 HydrophobicContact CB-CB 3.76Å; K781-E886 HydrophobicContact CD-CB 4.1Å; K781-E886 WeakPolarHBondContact CD-OE2 3.41Å; K781-E886 PolarHBondContact N-O 2.85Å; K781-E886 IonicContact NZ-OE2 2.67Å; K781-E886 PolarHBondContact O-N 3.43Å; E886-R888 IonicContact OE1-CZ 2.85Å; E886-R888 IonicContact OE1-NE 3.69Å; E886-R888 PolarHBondContact OE1-NE 2.77Å; E886-R888 IonicContact OE1-NH2 3.36Å; E886-R888 PolarHBondContact OE1-NH2 3.41Å |
| 887 | A | 48.4 | Very low | 49.1 | Very low | 43 Ų | 43 | 72.3 Ų | 72.3 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109 | L779 L780 | L779-A887 WeakPolarHBondContact O-CA 3.29Å; L780-A887 HydrophobicContact CD2-CB 3.55Å |
| 888 | R | 49.1 | Very low | 47.8 | Very low | 107 Ų | 107 | 73.1 Ų | 73.1 | 40% | 0.404 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136 | 177.2 | -62.4 | -170.9 | -175.1 | -155.4 | 3.5 | 111.1 | L779 E886 N899 | L779-R888 HydrophobicContact CB-CB 4.47Å; L779-R888 PolarHBondContact N-O 3.36Å; L779-R888 PolarHBondContact O-N 3.36Å; E886-R888 IonicContact OE1-CZ 2.85Å; E886-R888 IonicContact OE1-NE 3.69Å; E886-R888 PolarHBondContact OE1-NE 2.77Å; E886-R888 IonicContact OE1-NH2 3.36Å; E886-R888 PolarHBondContact OE1-NH2 3.41Å; R888-N899 PolarHBondContact NH1-OD1 2.88Å; R888-N899 VanDerWaalsContact NH1-OD1 3.13Å |
| 889 | L | 47 | Very low | 46.4 | Very low | 67 Ų | 67 | 76.4 Ų | 76.4 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.9 | 163.3 | -171.6 | 70.8 | 0 | 0 | 0 | 108.2 | R776 V778 L873 | R776-L889 HydrophobicContact CB-CD1 4.4Å; V778-L889 HydrophobicContact CG2-CD1 3.97Å; L873-L889 HydrophobicContact CD1-CD1 4.47Å |
| 890 | L | 44.6 | Very low | 45 | Very low | 28 Ų | 28 | 79.6 Ų | 79.6 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.1 | 176.2 | -63.7 | 174.3 | 0 | 0 | 0 | 109 | R776 M777 L779 V897 | R776-L890 CarbonylContact C-O 3.58Å; R776-L890 WeakPolarHBondContact CA-O 3.25Å; M777-L890 PolarHBondContact N-O 3.3Å; M777-L890 PolarHBondContact O-N 3.1Å; L779-L890 HydrophobicContact CB-CD1 4.11Å; L779-L890 HydrophobicContact CD2-CD1 4.35Å; L890-V897 HydrophobicContact CB-CG1 4.4Å; L890-V897 HydrophobicContact CD1-CG1 4.41Å; L890-V897 HydrophobicContact CD2-CG1 4.49Å |
| 891 | Q | 43.9 | Very low | 43.5 | Very low | 45 Ų | 45 | 82 Ų | 82 | 21% | 0.21 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.6 | 169 | -176 | 172.1 | -3.2 | 0 | 0 | 109.1 | D774 L893 | D774-Q891 PolarHBondContact OD1-NE2 2.91Å; Q891-L893 HydrophobicContact CG-CD1 4.33Å; Q891-L893 HydrophobicContact CG-CG 4.4Å |
| 892 | R | 40.9 | Very low | 41.7 | Very low | 67 Ų | 67 | 83.1 Ų | 83.1 | 25% | 0.253 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.2 | 170.6 | -165.1 | -178.5 | -176.2 | 177.9 | -3.5 | 108.2 | E775 D895 V897 | E775-R892 HydrophobicContact CB-CB 4.11Å; E775-R892 PolarHBondContact O-N 3.11Å; E775-R892 WeakPolarHBondContact OE2-CD 3.3Å; E775-R892 IonicContact OE2-CZ 3.82Å; E775-R892 IonicContact OE2-NE 3.08Å; E775-R892 IonicContact OE2-NH1 2.63Å; E775-R892 PolarHBondContact OE2-NH1 2.97Å; R892-D895 IonicContact CZ-OD1 2.69Å; R892-D895 IonicContact NE-OD1 3.46Å; R892-D895 PolarHBondContact NE-OD1 3.41Å; R892-D895 IonicContact NH2-OD1 2.71Å; R892-D895 PolarHBondContact NH2-OD1 3.29Å; R892-V897 HydrophobicContact CG-CG2 4.39Å |
| 893 | L | 34.6 | Very low | 39.9 | Very low | 61 Ų | 61 | 88.2 Ų | 88.2 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 112.3 | -178 | -107.6 | 163.9 | 0 | 0 | 0 | 108.4 | Q891 D895 E896 | Q891-L893 HydrophobicContact CG-CD1 4.33Å; Q891-L893 HydrophobicContact CG-CG 4.4Å; L893-D895 PolarHBondContact O-N 3.5Å; L893-E896 PolarHBondContact N-O 3.01Å; L893-E896 PolarHBondContact O-N 3.03Å; L893-E896 VanDerWaalsContact O-N 3.13Å; L893-E896 VanDerWaalsContact O-O 3.13Å |
| 894 | N | 37 | Very low | 38.4 | Very low | 156 Ų | 156 | 90.5 Ų | 90.5 | 83% | 0.834 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 53.7 | -179.8 | -57.1 | -14.9 | 0 | 0 | 0 | 112.9 | E896 | N894-E896 PolarHBondContact O-N 3.32Š|
| 895 | D | 35.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 96.9 Ų | 96.9 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -10 | -174.4 | -75.7 | -56.7 | 0 | 0 | 0 | 118.2 | R892 L893 V897 | R892-D895 IonicContact CZ-OD1 2.69Å; R892-D895 IonicContact NE-OD1 3.46Å; R892-D895 PolarHBondContact NE-OD1 3.41Å; R892-D895 IonicContact NH2-OD1 2.71Å; R892-D895 PolarHBondContact NH2-OD1 3.29Å; L893-D895 PolarHBondContact O-N 3.5Å; D895-V897 PolarHBondContact O-N 2.83Å |
| 896 | E | 31.1 | Very low | 35.6 | Very low | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.9 | 164 | -67.7 | -159.3 | 137 | 0 | 0 | 110.7 | L893 N894 T898 | L893-E896 PolarHBondContact N-O 3.01Å; L893-E896 PolarHBondContact O-N 3.03Å; L893-E896 VanDerWaalsContact O-N 3.13Å; L893-E896 VanDerWaalsContact O-O 3.13Å; N894-E896 PolarHBondContact O-N 3.32Å; E896-T898 HydrophobicContact CB-CG2 4.01Å; E896-T898 PolarHBondContact O-N 3.24Å |
| 897 | V | 36.7 | Very low | 34.4 | Very low | 78 Ų | 78 | 99 Ų | 99 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 77.2 | 166.5 | -176.4 | 0 | 0 | 0 | 0 | 108 | L890 R892 D895 N899 | L890-V897 HydrophobicContact CB-CG1 4.4Å; L890-V897 HydrophobicContact CD1-CG1 4.41Å; L890-V897 HydrophobicContact CD2-CG1 4.49Å; R892-V897 HydrophobicContact CG-CG2 4.39Å; D895-V897 PolarHBondContact O-N 2.83Å; V897-N899 PolarHBondContact O-N 3.05Å |
| 898 | T | 32.8 | Very low | 33.3 | Very low | 52 Ų | 52 | 104.1 Ų | 104.1 | 32% | 0.319 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 107.3 | 179.6 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | E896 R900 | E896-T898 HydrophobicContact CB-CG2 4.01Å; E896-T898 PolarHBondContact O-N 3.24Å; T898-R900 PolarHBondContact O-N 2.91Å |
| 899 | N | 32.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 101.9 Ų | 101.9 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | trans | -69.9 | 77.4 | 175.9 | -178.7 | 82.5 | 0 | 0 | 0 | 109.6 | R888 V897 S901 | R888-N899 PolarHBondContact NH1-OD1 2.88Å; R888-N899 VanDerWaalsContact NH1-OD1 3.13Å; V897-N899 PolarHBondContact O-N 3.05Å; N899-S901 PolarHBondContact O-N 3.25Å | ||
| 900 | R | 30.6 | Very low | 30.9 | Very low | 178 Ų | 178 | 107.9 Ų | 107.9 | 67% | 0.672 | 56% | 0.562 | S | S | * | * | trans | -63.2 | 86.9 | 163.7 | -86.1 | -169.1 | 172.7 | -168.3 | -1 | 108.2 | T898 I902 | T898-R900 PolarHBondContact O-N 2.91Å; R900-I902 HydrophobicContact CB-CG1 4.46Å; R900-I902 PolarHBondContact O-N 2.99Å | ||
| 901 | S | 29 | Very low | 30 | Very low | 101 Ų | 101 | 113.1 Ų | 113.1 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | trans | -53.3 | 94.4 | 143.8 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | N899 D903 | N899-S901 PolarHBondContact O-N 3.25Å; S901-D903 VanDerWaalsContact C-N 3.32Å; S901-D903 PolarHBondContact O-N 2.86Å | ||
| 902 | I | 27.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 115 Ų | 115 | 55% | 0.554 | 60% | 0.6 | S | S | * | * | trans | -65.6 | 103.4 | 166.6 | -64.3 | 177.2 | 0 | 0 | 0 | 104.7 | R900 | R900-I902 HydrophobicContact CB-CG1 4.46Å; R900-I902 PolarHBondContact O-N 2.99Å | ||
| 903 | D | 24.3 | Very low | 28.5 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | trans | -44.9 | 124.1 | 165.2 | -150 | -7.6 | 0 | 0 | 0 | 106.4 | S901 H905 | S901-D903 VanDerWaalsContact C-N 3.32Å; S901-D903 PolarHBondContact O-N 2.86Å; D903-H905 CarbonylContact O-C 3.52Å; D903-H905 PolarHBondContact O-N 2.91Å | ||
| 904 | P | 24.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -64.5 | 2.6 | -157.2 | 21.3 | -33.4 | 0 | 0 | 0 | 115.8 | C906 | P904-C906 PolarHBondContact O-N 2.88Š|
| 905 | H | 23.2 | Very low | 27.5 | Very low | 164 Ų | 164 | 111.6 Ų | 111.6 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | trans | -69.2 | 58.4 | 159.6 | -56.2 | -55 | 0 | 0 | 0 | 113 | D903 | D903-H905 CarbonylContact O-C 3.52Å; D903-H905 PolarHBondContact O-N 2.91Å | ||
| 906 | C | 22.4 | Very low | 26.9 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 45% | 0.446 | 61% | 0.612 | S | S | . | * | trans | -67.2 | 134.9 | 137.6 | -107 | 0 | 0 | 0 | 0 | 106.8 | P904 D908 G909 | P904-C906 PolarHBondContact O-N 2.88Å; C906-D908 CarbonylContact O-C 3.51Å; C906-D908 PolarHBondContact O-N 3.08Å; C906-G909 WeakPolarHBondContact O-CA 3.22Å; C906-G909 PolarHBondContact O-N 3.36Å | ||
| 907 | E | 26.8 | Very low | 26.5 | Very low | 205 Ų | 205 | 113.2 Ų | 113.2 | 96% | 0.958 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -62.2 | -34.7 | -174.2 | -64.3 | -176.9 | 128.1 | 0 | 0 | 111.8 | G909 | E907-G909 PolarHBondContact O-N 3.18Š|
| 908 | D | 26.3 | Very low | 25.7 | Very low | 149 Ų | 149 | 117.1 Ų | 117.1 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -87.7 | 83 | 160.5 | -71.7 | -49 | 0 | 0 | 0 | 110.3 | C906 R910 | C906-D908 CarbonylContact O-C 3.51Å; C906-D908 PolarHBondContact O-N 3.08Å; D908-R910 PolarHBondContact O-N 2.96Å |
| 909 | G | 22.6 | Very low | 25.1 | Very low | 60 Ų | 60 | 120.9 Ų | 120.9 | 62% | 0.619 | 65% | 0.648 | S | S | * | * | trans | -71 | 55.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | C906 E907 | C906-G909 WeakPolarHBondContact O-CA 3.22Å; C906-G909 PolarHBondContact O-N 3.36Å; E907-G909 PolarHBondContact O-N 3.18Å | ||
| 910 | R | 23.5 | Very low | 24.5 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | trans | -86.3 | 121.6 | 171.5 | -66.9 | -172.8 | 179.3 | -166.9 | -3 | 110.7 | D908 | D908-R910 PolarHBondContact O-N 2.96Š| ||
| 911 | I | 25.3 | Very low | 24 | Very low | 138 Ų | 138 | 119 Ų | 119 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | trans | -73.1 | 141.6 | 177.4 | -62.9 | 173.3 | 0 | 0 | 0 | 109.4 | E913 | I911-E913 PolarHBondContact O-N 3.04Š| ||
| 912 | L | 25.7 | Very low | 23.6 | Very low | 85 Ų | 85 | 118 Ų | 118 | 45% | 0.445 | 65% | 0.651 | S | S | . | * | trans | -69.9 | 82.6 | 167.3 | -78.8 | 165.6 | 0 | 0 | 0 | 109.7 | Q874 V876 A914 | Q874-L912 WeakPolarHBondContact O-CD2 3.36Å; V876-L912 HydrophobicContact CG2-CD2 4.47Å; L912-A914 PolarHBondContact O-N 3.29Å | ||
| 913 | E | 27.5 | Very low | 23.3 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | trans | -65 | 110.7 | 173.4 | -69.6 | 172.7 | 158.5 | 0 | 0 | 110.3 | R875 I911 | R875-E913 IonicContact CZ-OE2 3.33Å; R875-E913 IonicContact NE-OE2 2.74Å; R875-E913 IonicContact NH2-OE2 2.67Å; R875-E913 PolarHBondContact NH2-OE2 3.37Å; I911-E913 PolarHBondContact O-N 3.04Å | ||
| 914 | A | 26.7 | Very low | 23.1 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 48% | 0.479 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 137.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A884 L912 | A884-A914 HydrophobicContact CB-CB 4.49Å; L912-A914 PolarHBondContact O-N 3.29Å |
| 915 | G | 23.6 | Very low | 23 | Very low | 43 Ų | 43 | 117.4 Ų | 117.4 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 157 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 916 | E | 23.3 | Very low | 23.1 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 86% | 0.855 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150 | -161.9 | -60.7 | 178.1 | 130.5 | 0 | 0 | 115.1 | L918 | E916-L918 PolarHBondContact O-N 2.82Š|
| 917 | S | 21.9 | Very low | 23.2 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | trans | -85 | 91.9 | -176.1 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | M919 | S917-M919 PolarHBondContact O-N 2.86Š| ||
| 918 | L | 20.4 | Very low | 23 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 84% | 0.838 | 66% | 0.66 | S | S | * | * | trans | -66.5 | 91.1 | 169.1 | -69.7 | 172 | 0 | 0 | 0 | 110.9 | E916 L920 | E916-L918 PolarHBondContact O-N 2.82Å; L918-L920 PolarHBondContact O-N 2.77Å; L918-L920 VanDerWaalsContact O-N 3.16Å | ||
| 919 | M | 19.2 | Very low | 22.8 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | trans | -82 | 94.1 | -179 | -162 | -178.5 | -161.5 | 0 | 0 | 112.1 | S917 V921 | S917-M919 PolarHBondContact O-N 2.86Å; M919-V921 HydrophobicContact CG-CG2 4.04Å; M919-V921 PolarHBondContact O-N 3.46Å; M919-V921 HydrophobicContact SD-CG2 4.2Å | ||
| 920 | L | 19.7 | Very low | 23.2 | Very low | 156 Ų | 156 | 113.5 Ų | 113.5 | 82% | 0.817 | 66% | 0.66 | S | S | * | * | trans | -78.4 | 83.5 | -179.7 | -148.7 | 165.2 | 0 | 0 | 0 | 111.1 | L918 A922 | L918-L920 PolarHBondContact O-N 2.77Å; L918-L920 VanDerWaalsContact O-N 3.16Å; L920-A922 PolarHBondContact O-N 3.48Å | ||
| 921 | V | 20.9 | Very low | 23.4 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | trans | -75.4 | 83.1 | -178.5 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | M919 I923 | M919-V921 HydrophobicContact CG-CG2 4.04Å; M919-V921 PolarHBondContact O-N 3.46Å; M919-V921 HydrophobicContact SD-CG2 4.2Å; V921-I923 PolarHBondContact O-N 2.92Å | ||
| 922 | A | 20.4 | Very low | 23.8 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 65% | 0.653 | 66% | 0.663 | S | S | * | * | trans | -72.8 | 114.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | L920 A924 | L920-A922 PolarHBondContact O-N 3.48Å; A922-A924 PolarHBondContact O-N 3.29Å | ||
| 923 | I | 21.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 50% | 0.503 | 67% | 0.671 | S | S | . | * | trans | -83 | 103.4 | 168.4 | -56 | 172.6 | 0 | 0 | 0 | 107.5 | V921 L1050 | V921-I923 PolarHBondContact O-N 2.92Å; I923-L1050 HydrophobicContact CD1-CD2 3.79Å | ||
| 924 | A | 19.9 | Very low | 25.6 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -127.2 | 96.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | A922 | A922-A924 PolarHBondContact O-N 3.29Š| ||
| 925 | D | 22.6 | Very low | 27.1 | Very low | 129 Ų | 129 | 109 Ų | 109 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -161.6 | 115.7 | 159.1 | -155.4 | -28 | 0 | 0 | 0 | 110.1 | S927 | D925-S927 VanDerWaalsContact C-N 3.29Å; D925-S927 VanDerWaalsContact CG-OG 3.26Å; D925-S927 PolarHBondContact O-N 2.72Å; D925-S927 VanDerWaalsContact OD1-CB 3.24Å; D925-S927 WeakPolarHBondContact OD1-CB 3.33Å; D925-S927 PolarHBondContact OD1-OG 2.69Å | ||
| 926 | D | 24.5 | Very low | 29.1 | Very low | 172 Ų | 172 | 107 Ų | 107 | 92% | 0.92 | 62% | 0.621 | S | S | * | * | trans | -87.9 | 16.7 | -174 | -71.7 | -52.6 | 0 | 0 | 0 | 113.7 | ||||
| 927 | S | 24.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 59% | 0.594 | 59% | 0.587 | S | S | * | * | trans | -109.7 | 24.7 | -155 | 68.6 | 0 | 0 | 0 | 0 | 118.3 | D925 | D925-S927 VanDerWaalsContact C-N 3.29Å; D925-S927 VanDerWaalsContact CG-OG 3.26Å; D925-S927 PolarHBondContact O-N 2.72Å; D925-S927 VanDerWaalsContact OD1-CB 3.24Å; D925-S927 WeakPolarHBondContact OD1-CB 3.33Å; D925-S927 PolarHBondContact OD1-OG 2.69Å | ||
| 928 | A | 22.9 | Very low | 33.2 | Very low | 92 Ų | 92 | 95.3 Ų | 95.3 | 76% | 0.76 | 56% | 0.559 | S | S | * | * | trans | -140.2 | 86.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117 | S930 | A928-S930 PolarHBondContact O-N 3.4Š| ||
| 929 | P | 23.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 91.9 Ų | 91.9 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | trans | -85 | 106.7 | 172.3 | 32.4 | -32.2 | 0 | 0 | 0 | 112.5 | ||||
| 930 | S | 28.9 | Very low | 38.2 | Very low | 80 Ų | 80 | 85.6 Ų | 85.6 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | trans | -153.1 | 133.5 | 161.9 | 75.3 | 0 | 0 | 0 | 0 | 114 | A928 K932 | A928-S930 PolarHBondContact O-N 3.4Å; S930-K932 PolarHBondContact O-N 3.46Å | ||
| 931 | N | 28 | Very low | 40.9 | Very low | 153 Ų | 153 | 81.8 Ų | 81.8 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | trans | -79.1 | 81 | -179.9 | -69.9 | 0.5 | 0 | 0 | 0 | 111.2 | ||||
| 932 | K | 34.2 | Very low | 43.7 | Very low | 156 Ų | 156 | 78.5 Ų | 78.5 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | trans | -117.8 | 135.8 | 165.8 | -71.9 | -179.1 | 177.7 | 175.7 | 0 | 109.5 | S930 K934 | S930-K932 PolarHBondContact O-N 3.46Å; K932-K934 WeakPolarHBondContact O-CG 3.4Å; K932-K934 PolarHBondContact O-N 3.42Å | ||
| 933 | T | 35.9 | Very low | 46.3 | Very low | 99 Ų | 99 | 78 Ų | 78 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | trans | -49.3 | 123.8 | 174.4 | 18.2 | 0 | 0 | 0 | 0 | 110.1 | V1005 M1006 | T933-V1005 HydrophobicContact CG2-CG1 4.37Å; T933-M1006 WeakPolarHBondContact CG2-O 3.25Å | ||
| 934 | K | 54.7 | Low | 48.3 | Very low | 76 Ų | 76 | 78.6 Ų | 78.6 | 33% | 0.33 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.7 | -178.5 | -56.8 | 176.1 | -168 | 170.9 | 0 | 107.8 | K932 M1006 S1029 F1030 | K932-K934 WeakPolarHBondContact O-CG 3.4Å; K932-K934 PolarHBondContact O-N 3.42Å; K934-M1006 HydrophobicContact CB-CB 4.44Å; K934-M1006 HydrophobicContact CB-CE 3.79Å; K934-M1006 PolarHBondContact N-O 3.26Å; K934-M1006 WeakPolarHBondContact O-CB 3.39Å; K934-M1006 PolarHBondContact O-N 2.84Å; K934-S1029 PolarHBondContact NZ-O 2.61Å; K934-F1030 HydrophobicContact CD-CB 4.46Å |
| 935 | A | 59 | Low | 50.7 | Low | 7 Ų | 7 | 83 Ų | 83 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1004 E1048 | A935-S1004 VanDerWaalsContact CA-O 3.29Å; A935-S1004 WeakPolarHBondContact CA-O 3.28Å; A935-E1048 PolarHBondContact O-N 3.19Å |
| 936 | I | 65.4 | Low | 53.2 | Low | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.6 | 166.9 | -60.7 | 160.2 | 0 | 0 | 0 | 106.1 | M951 V953 W961 R1003 S1004 M1006 A1031 V1034 V1045 V1047 | I936-M951 HydrophobicContact CG2-CE 3.96Å; I936-V953 HydrophobicContact CD1-CG1 4.19Å; I936-V953 HydrophobicContact CD1-CG2 4.28Å; I936-W961 HydrophobicContact CD1-CZ2 4.33Å; I936-R1003 CarbonylContact O-C 3.59Å; I936-R1003 VanDerWaalsContact O-CA 3.32Å; I936-R1003 WeakPolarHBondContact O-CA 3.31Å; I936-S1004 PolarHBondContact N-O 3.06Å; I936-S1004 VanDerWaalsContact N-O 3.12Å; I936-S1004 PolarHBondContact O-N 3.47Å; I936-M1006 HydrophobicContact CD1-CE 3.78Å; I936-M1006 HydrophobicContact CG1-CE 3.74Å; I936-A1031 HydrophobicContact CD1-CB 3.96Å; I936-V1034 HydrophobicContact CD1-CG2 3.97Å; I936-V1034 HydrophobicContact CG1-CG2 4.41Å; I936-V1034 HydrophobicContact CG2-CG1 4.26Å; I936-V1034 HydrophobicContact CG2-CG2 4.27Å; I936-V1045 HydrophobicContact CG2-CG1 4.47Å; I936-V1047 HydrophobicContact CG1-CG1 4.2Å; I936-V1047 HydrophobicContact CG1-CG2 4.24Å; I936-V1047 HydrophobicContact CG2-CG2 4.39Å |
| 937 | S | 61.4 | Low | 55.8 | Low | 21 Ų | 21 | 74.4 Ų | 74.4 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.4 | 176.1 | -48.7 | 0 | 0 | 0 | 0 | 109.2 | L1002 R1003 S1046 | S937-L1002 CarbonylContact C-O 3.5Å; S937-L1002 WeakPolarHBondContact CA-O 3.43Å; S937-R1003 PolarHBondContact OG-NE 2.79Å; S937-S1046 PolarHBondContact N-O 3.15Å; S937-S1046 CarbonylContact O-C 3.55Å; S937-S1046 PolarHBondContact O-N 3.37Å; S937-S1046 PolarHBondContact O-OG 2.63Å |
| 938 | A | 69.1 | Low | 58.4 | Low | 4 Ų | 4 | 77.6 Ų | 77.6 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V940 S1001 L1002 L1036 L1044 V1045 | A938-V940 HydrophobicContact CB-CG2 4.34Å; A938-S1001 CarbonylContact O-C 3.59Å; A938-S1001 WeakPolarHBondContact O-CA 3.42Å; A938-L1002 PolarHBondContact N-O 2.9Å; A938-L1002 PolarHBondContact O-N 3.33Å; A938-L1036 HydrophobicContact CB-CD1 4.08Å; A938-L1044 CarbonylContact C-O 3.14Å; A938-L1044 VanDerWaalsContact CA-O 3.31Å; A938-L1044 WeakPolarHBondContact CA-O 3.49Å; A938-V1045 HydrophobicContact CB-CG2 4.17Å |
| 939 | I | 69.7 | Low | 61.3 | Low | 88 Ų | 88 | 73.2 Ų | 73.2 | 45% | 0.451 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.6 | 164.4 | -57.7 | 175.5 | 0 | 0 | 0 | 106.9 | V999 L1044 | I939-V999 HydrophobicContact CG2-CG1 3.92Å; I939-L1044 HydrophobicContact CB-CB 4.42Å; I939-L1044 PolarHBondContact N-O 3.43Å; I939-L1044 PolarHBondContact O-N 2.88Å |
| 940 | V | 76.3 | Confident | 64.1 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.6 | -173.9 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | A938 L942 F949 V999 F1000 L1036 V1040 | A938-V940 HydrophobicContact CB-CG2 4.34Å; V940-L942 HydrophobicContact CG1-CD2 4.41Å; V940-F949 HydrophobicContact CG1-CD2 4.1Å; V940-F949 HydrophobicContact CG1-CE2 3.82Å; V940-F949 HydrophobicContact CG2-CE2 4.05Å; V940-F949 HydrophobicContact CG2-CZ 4.27Å; V940-V999 VanDerWaalsContact O-CA 3.32Å; V940-V999 WeakPolarHBondContact O-CA 3.07Å; V940-F1000 HydrophobicContact CB-CD1 4.19Å; V940-F1000 HydrophobicContact CB-CD2 4.41Å; V940-F1000 HydrophobicContact CB-CE1 3.68Å; V940-F1000 HydrophobicContact CB-CE2 3.95Å; V940-F1000 HydrophobicContact CB-CZ 3.57Å; V940-F1000 HydrophobicContact CG1-CE1 3.64Å; V940-F1000 HydrophobicContact CG1-CE2 4.47Å; V940-F1000 HydrophobicContact CG1-CZ 3.63Å; V940-F1000 HydrophobicContact CG2-CE2 4.09Å; V940-F1000 HydrophobicContact CG2-CZ 4.03Å; V940-F1000 PolarHBondContact N-O 3.42Å; V940-F1000 PolarHBondContact O-N 3.43Å; V940-L1036 HydrophobicContact CG2-CD1 4.2Å; V940-V1040 HydrophobicContact CG1-CG1 3.75Å; V940-V1040 HydrophobicContact CG1-CG2 4.04Å |
| 941 | K | 75.5 | Confident | 66.7 | Low | 76 Ų | 76 | 64.9 Ų | 64.9 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.2 | 166 | -179.1 | 175.7 | -178.7 | -159.9 | 0 | 108.8 | G998 V999 V1040 E1041 K1042 | K941-G998 CarbonylContact C-O 3.55Å; K941-G998 VanDerWaalsContact CA-O 3.3Å; K941-G998 WeakPolarHBondContact CA-O 3.16Å; K941-G998 WeakPolarHBondContact CG-O 3.23Å; K941-V999 HydrophobicContact CB-CG2 3.96Å; K941-V999 HydrophobicContact CD-CG2 4.14Å; K941-V999 HydrophobicContact CG-CG2 3.79Å; K941-V1040 CarbonylContact O-C 3.56Å; K941-V1040 WeakPolarHBondContact O-CA 3.34Å; K941-V1040 WeakPolarHBondContact O-CG1 3.33Å; K941-E1041 HydrophobicContact CD-CB 4.37Å; K941-E1041 WeakPolarHBondContact CE-OE2 3.36Å; K941-E1041 HydrophobicContact CG-CB 4.24Å; K941-E1041 VanDerWaalsContact NZ-CD 3.25Å; K941-E1041 IonicContact NZ-OE1 3.21Å; K941-E1041 PolarHBondContact NZ-OE1 3.19Å; K941-E1041 IonicContact NZ-OE2 3.4Å; K941-E1041 PolarHBondContact NZ-OE2 2.81Å; K941-E1041 PolarHBondContact O-N 2.77Å; K941-K1042 HydrophobicContact CB-CB 4.16Å; K941-K1042 PolarHBondContact N-O 2.97Å; K941-K1042 PolarHBondContact O-N 3.38Å |
| 942 | L | 78.8 | Confident | 69.2 | Low | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 153.1 | 173.8 | -63.4 | 175.8 | 0 | 0 | 0 | 111.3 | V940 A946 F949 L967 L994 G998 F1000 D1039 V1040 | V940-L942 HydrophobicContact CG1-CD2 4.41Å; L942-A946 HydrophobicContact CB-CB 3.76Å; L942-A946 HydrophobicContact CD1-CB 4.2Å; L942-A946 HydrophobicContact CD2-CB 4.21Å; L942-A946 HydrophobicContact CG-CB 4.26Å; L942-F949 HydrophobicContact CD2-CB 4.41Å; L942-L967 HydrophobicContact CD1-CD1 3.89Å; L942-L967 HydrophobicContact CD2-CD1 4.31Å; L942-L994 HydrophobicContact CD1-CB 4.21Å; L942-G998 PolarHBondContact N-O 2.81Å; L942-F1000 HydrophobicContact CD1-CE1 4.14Å; L942-F1000 HydrophobicContact CD2-CE1 4.07Å; L942-F1000 HydrophobicContact CG-CE1 3.92Å; L942-D1039 CarbonylContact C-O 3.52Å; L942-D1039 VanDerWaalsContact CA-O 3.29Å; L942-D1039 WeakPolarHBondContact CA-O 3.5Å; L942-D1039 WeakPolarHBondContact CD2-O 3.46Å; L942-V1040 HydrophobicContact CD2-CG2 4.32Å |
| 943 | K | 77 | Confident | 71.3 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 154.8 | 162.3 | -63.5 | 175.4 | -173.1 | 170.1 | 0 | 108.8 | A946 D1039 D1064 | K943-A946 WeakPolarHBondContact O-CB 3.42Å; K943-A946 PolarHBondContact O-N 3.5Å; K943-D1039 HydrophobicContact CB-CB 4.46Å; K943-D1039 HydrophobicContact CD-CB 4.31Å; K943-D1039 PolarHBondContact N-O 2.8Å; K943-D1064 IonicContact NZ-OD1 3.9Å; K943-D1064 IonicContact NZ-OD2 2.72Å; K943-D1064 PolarHBondContact NZ-OD2 2.91Å |
| 944 | P | 63.7 | Low | 73.1 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 71% | 0.714 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 144.3 | 160.1 | -21 | 33.3 | 0 | 0 | 0 | 109.8 | A946 | P944-A946 PolarHBondContact O-N 3.06Å; P944-A946 VanDerWaalsContact O-N 3.15Å |
| 945 | E | 69.7 | Low | 74.1 | Confident | 184 Ų | 184 | 46.8 Ų | 46.8 | 86% | 0.86 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 18.7 | 179.1 | -58.2 | 172.1 | -149.1 | 0 | 0 | 115.6 | K947 | E945-K947 PolarHBondContact O-N 3.24Š|
| 946 | A | 74.9 | Confident | 74.2 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | trans | -53.5 | 125.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L942 K943 P944 L967 D1039 | L942-A946 HydrophobicContact CB-CB 3.76Å; L942-A946 HydrophobicContact CD1-CB 4.2Å; L942-A946 HydrophobicContact CD2-CB 4.21Å; L942-A946 HydrophobicContact CG-CB 4.26Å; K943-A946 WeakPolarHBondContact O-CB 3.42Å; K943-A946 PolarHBondContact O-N 3.5Å; P944-A946 PolarHBondContact O-N 3.06Å; P944-A946 VanDerWaalsContact O-N 3.15Å; A946-L967 HydrophobicContact CB-CD1 3.96Å; A946-L967 WeakPolarHBondContact O-CD1 3.41Å; A946-D1039 HydrophobicContact CB-CB 3.4Å | ||
| 947 | K | 79.5 | Confident | 74.3 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | trans | -108.8 | -26 | -180 | -64.5 | -176.2 | 169.2 | -101.2 | 0 | 113 | E945 L967 D968 D1039 | E945-K947 PolarHBondContact O-N 3.24Å; K947-L967 WeakPolarHBondContact O-CB 3.48Å; K947-L967 PolarHBondContact O-N 3.46Å; K947-D968 WeakPolarHBondContact CD-OD2 3.48Å; K947-D968 IonicContact NZ-OD1 2.76Å; K947-D968 IonicContact NZ-OD2 2.85Å; K947-D968 PolarHBondContact NZ-OD2 2.88Å; K947-D1039 PolarHBondContact N-OD2 2.97Å | ||
| 948 | R | 79.7 | Confident | 74.5 | Confident | 151 Ų | 151 | 54.3 Ų | 54.3 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.5 | -178.9 | -63.2 | -175.3 | -176 | 171.8 | 3.3 | 113 | A965 D1039 | R948-A965 WeakPolarHBondContact CA-O 3.47Å; R948-D1039 PolarHBondContact N-OD2 2.89Å; R948-D1039 PolarHBondContact O-N 3.38Å |
| 949 | F | 83.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.8 | 168 | 165.5 | -100.7 | 0 | 0 | 0 | 110 | V940 L942 M951 V964 A965 W972 F1000 L1002 L1036 V1040 | V940-F949 HydrophobicContact CG1-CD2 4.1Å; V940-F949 HydrophobicContact CG1-CE2 3.82Å; V940-F949 HydrophobicContact CG2-CE2 4.05Å; V940-F949 HydrophobicContact CG2-CZ 4.27Å; L942-F949 HydrophobicContact CD2-CB 4.41Å; F949-M951 HydrophobicContact CE1-CB 4.29Å; F949-M951 HydrophobicContact CZ-CB 4.17Å; F949-V964 CarbonylContact O-C 3.57Å; F949-V964 WeakPolarHBondContact O-CA 3.45Å; F949-A965 HydrophobicContact CB-CB 4.24Å; F949-A965 HydrophobicContact CD1-CB 4.37Å; F949-A965 PolarHBondContact N-O 2.85Å; F949-A965 PolarHBondContact O-N 3.01Å; F949-W972 AromaticContact CD1-CH2 4Å; F949-W972 HydrophobicContact CD1-CH2 4Å; F949-W972 AromaticContact CD1-CZ3 3.88Å; F949-W972 HydrophobicContact CD1-CZ3 3.88Å; F949-W972 HydrophobicContact CE1-CH2 4.32Å; F949-W972 HydrophobicContact CE1-CZ3 4.03Å; F949-F1000 HydrophobicContact CD1-CZ 4.38Å; F949-F1000 HydrophobicContact CD2-CZ 4.34Å; F949-F1000 HydrophobicContact CE1-CZ 4.35Å; F949-F1000 HydrophobicContact CE2-CZ 4.3Å; F949-F1000 HydrophobicContact CG-CZ 4.37Å; F949-F1000 HydrophobicContact CZ-CZ 4.3Å; F949-L1002 HydrophobicContact CE1-CD2 3.85Å; F949-L1002 HydrophobicContact CZ-CD2 3.81Å; F949-L1036 HydrophobicContact CE2-CD2 4.24Å; F949-L1036 HydrophobicContact CZ-CD2 3.97Å; F949-V1040 HydrophobicContact CD2-CG2 3.75Å; F949-V1040 HydrophobicContact CE2-CG2 4.25Å |
| 950 | H | 81.7 | Confident | 75.2 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.9 | -176.3 | -63.8 | -124.6 | 0 | 0 | 0 | 109.9 | L1036 S1037 | H950-L1036 CarbonylContact O-C 3.5Å; H950-L1036 WeakPolarHBondContact O-CA 3.45Å; H950-S1037 WeakPolarHBondContact CB-OG 3.27Å; H950-S1037 PolarHBondContact N-O 2.88Å; H950-S1037 PolarHBondContact O-N 2.97Å |
| 951 | M | 82.7 | Confident | 75.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131 | 169.5 | 173.7 | 173.7 | -171.7 | 0 | 0 | 108.7 | I936 F949 V953 W961 R962 L963 L1002 V1034 E1035 L1036 | I936-M951 HydrophobicContact CG2-CE 3.96Å; F949-M951 HydrophobicContact CE1-CB 4.29Å; F949-M951 HydrophobicContact CZ-CB 4.17Å; M951-V953 HydrophobicContact CE-CG2 3.68Å; M951-V953 HydrophobicContact CG-CG2 4.36Å; M951-W961 HydrophobicContact CE-CH2 3.96Å; M951-W961 HydrophobicContact CE-CZ3 4.31Å; M951-W961 HydrophobicContact SD-CZ3 4.39Å; M951-R962 CarbonylContact O-C 3.51Å; M951-R962 WeakPolarHBondContact O-CA 3.23Å; M951-R962 WeakPolarHBondContact O-CB 3.46Å; M951-L963 HydrophobicContact CB-CB 4.44Å; M951-L963 PolarHBondContact N-O 3.39Å; M951-L963 PolarHBondContact O-N 2.99Å; M951-L1002 HydrophobicContact SD-CD2 3.59Å; M951-L1002 VanDerWaalsContact SD-CD2 3.59Å; M951-L1002 HydrophobicContact SD-CG 4.48Å; M951-V1034 HydrophobicContact CE-CG1 3.96Å; M951-E1035 WeakPolarHBondContact CA-O 3.27Å; M951-L1036 HydrophobicContact CB-CD2 3.61Å; M951-L1036 HydrophobicContact CG-CD2 3.57Å; M951-L1036 HydrophobicContact SD-CD2 4.08Å |
| 952 | K | 80 | Confident | 75.8 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 30% | 0.296 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.3 | 178.8 | 167.3 | 175.9 | 155 | -143.8 | 0 | 108.7 | R962 W982 E1035 | K952-R962 HydrophobicContact CB-CB 4.29Å; K952-W982 HydrophobicContact CD-CZ2 4.21Å; K952-W982 HydrophobicContact CG-CH2 4.39Å; K952-W982 HydrophobicContact CG-CZ2 4.41Å; K952-E1035 HydrophobicContact CB-CB 4.23Å; K952-E1035 VanDerWaalsContact CD-OE2 3.31Å; K952-E1035 WeakPolarHBondContact CD-OE2 3.29Å; K952-E1035 VanDerWaalsContact CE-OE2 3.3Å; K952-E1035 WeakPolarHBondContact CE-OE2 3.33Å; K952-E1035 PolarHBondContact N-O 2.87Å; K952-E1035 IonicContact NZ-OE2 3.1Å; K952-E1035 PolarHBondContact NZ-OE2 2.63Å; K952-E1035 PolarHBondContact O-N 2.74Å |
| 953 | V | 78.1 | Confident | 76 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 110.3 | -178.7 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | I936 M951 M955 A960 W961 A1031 H1033 V1034 | I936-V953 HydrophobicContact CD1-CG1 4.19Å; I936-V953 HydrophobicContact CD1-CG2 4.28Å; M951-V953 HydrophobicContact CE-CG2 3.68Å; M951-V953 HydrophobicContact CG-CG2 4.36Å; V953-M955 HydrophobicContact CG1-SD 3.91Å; V953-A960 CarbonylContact O-C 3.54Å; V953-A960 VanDerWaalsContact O-CA 3.23Å; V953-A960 WeakPolarHBondContact O-CA 3.34Å; V953-A960 WeakPolarHBondContact O-CB 3.19Å; V953-W961 HydrophobicContact CB-CD2 3.89Å; V953-W961 HydrophobicContact CB-CE3 4.19Å; V953-W961 HydrophobicContact CB-CG 4.47Å; V953-W961 HydrophobicContact CB-CH2 4.09Å; V953-W961 HydrophobicContact CB-CZ2 3.76Å; V953-W961 HydrophobicContact CB-CZ3 4.28Å; V953-W961 HydrophobicContact CG1-CZ2 3.96Å; V953-W961 HydrophobicContact CG2-CD2 4.26Å; V953-W961 HydrophobicContact CG2-CE3 4.13Å; V953-W961 HydrophobicContact CG2-CH2 3.45Å; V953-W961 VanDerWaalsContact CG2-CH2 3.45Å; V953-W961 HydrophobicContact CG2-CZ2 3.59Å; V953-W961 HydrophobicContact CG2-CZ3 3.72Å; V953-W961 PolarHBondContact N-O 2.93Å; V953-W961 PolarHBondContact O-N 3.44Å; V953-A1031 HydrophobicContact CG1-CB 3.54Å; V953-H1033 WeakPolarHBondContact CA-O 3.42Å; V953-V1034 HydrophobicContact CG1-CG2 4.31Å; V953-V1034 HydrophobicContact CG2-CG1 4.26Å; V953-V1034 HydrophobicContact CG2-CG2 4.17Å |
| 954 | S | 74.3 | Confident | 76.4 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.9 | 172.2 | -44.9 | 0 | 0 | 0 | 0 | 108.6 | K1032 H1033 | S954-K1032 WeakPolarHBondContact O-CA 3.48Å; S954-K1032 WeakPolarHBondContact O-CB 3.4Å; S954-K1032 PolarHBondContact O-N 3.35Å; S954-H1033 PolarHBondContact N-O 2.79Å; S954-H1033 PolarHBondContact O-N 2.97Å |
| 955 | M | 75.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 169.9 | -176.2 | -58.6 | -69.6 | -72.5 | 0 | 0 | 110.7 | V953 D957 N959 M1026 P1027 G1028 F1030 A1031 | V953-M955 HydrophobicContact CG1-SD 3.91Å; M955-D957 VanDerWaalsContact C-N 3.33Å; M955-D957 VanDerWaalsContact CB-OD1 3.3Å; M955-D957 WeakPolarHBondContact CB-OD1 3.39Å; M955-D957 PolarHBondContact O-N 2.9Å; M955-N959 WeakPolarHBondContact CB-O 3.32Å; M955-N959 PolarHBondContact N-O 3.11Å; M955-M1026 HydrophobicContact CE-CE 3.91Å; M955-M1026 HydrophobicContact CE-CG 3.99Å; M955-M1026 HydrophobicContact CE-SD 3.62Å; M955-M1026 HydrophobicContact SD-SD 4.42Å; M955-P1027 WeakPolarHBondContact CE-O 3.14Å; M955-P1027 WeakPolarHBondContact CG-O 3.25Å; M955-G1028 VanDerWaalsContact CE-C 3.48Å; M955-G1028 WeakPolarHBondContact CE-O 3.44Å; M955-F1030 WeakPolarHBondContact CA-O 3.3Å; M955-A1031 HydrophobicContact SD-CB 4.2Å |
| 956 | N | 62 | Low | 78 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29 | -174.1 | 64.7 | -65.3 | 0 | 0 | 0 | 114.3 | G958 S1029 F1030 | N956-G958 VanDerWaalsContact C-N 3.35Å; N956-S1029 PolarHBondContact ND2-OG 2.74Å; N956-S1029 PolarHBondContact OD1-N 3.2Å; N956-S1029 VanDerWaalsContact OD1-N 3.15Å; N956-S1029 PolarHBondContact OD1-OG 2.8Å; N956-F1030 HydrophobicContact CB-CD1 4.18Å; N956-F1030 HydrophobicContact CB-CD2 3.55Å; N956-F1030 HydrophobicContact CB-CE1 4.04Å; N956-F1030 HydrophobicContact CB-CE2 3.38Å; N956-F1030 HydrophobicContact CB-CG 3.95Å; N956-F1030 HydrophobicContact CB-CZ 3.65Å; N956-F1030 PolarHBondContact N-O 2.82Å; N956-F1030 VanDerWaalsContact ND2-CE1 3.28Å; N956-F1030 WeakPolarHBondContact ND2-CE1 3.38Å; N956-F1030 PolarHBondContact OD1-N 2.84Å; N956-F1030 PolarHBondContact OD1-O 3.21Å; N956-F1030 VanDerWaalsContact OD1-O 3.05Å |
| 957 | D | 66.6 | Low | 78.2 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.5 | -176.5 | 62.5 | -20 | 0 | 0 | 0 | 114 | M955 N959 G1028 | M955-D957 VanDerWaalsContact C-N 3.33Å; M955-D957 VanDerWaalsContact CB-OD1 3.3Å; M955-D957 WeakPolarHBondContact CB-OD1 3.39Å; M955-D957 PolarHBondContact O-N 2.9Å; D957-N959 VanDerWaalsContact C-N 3.33Å; D957-N959 WeakPolarHBondContact OD1-CB 3.35Å; D957-N959 PolarHBondContact OD1-N 2.84Å; D957-N959 PolarHBondContact OD2-ND2 3.28Å; D957-G1028 VanDerWaalsContact CG-CA 3.49Å; D957-G1028 WeakPolarHBondContact OD2-CA 3.49Å; D957-G1028 PolarHBondContact OD2-N 3.15Å |
| 958 | G | 65.4 | Low | 78.2 | Confident | 61 Ų | 61 | 38.1 Ų | 38.1 | 63% | 0.629 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 91.4 | -14.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N956 | N956-G958 VanDerWaalsContact C-N 3.35Š|
| 959 | N | 76 | Confident | 78 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -68.2 | 165.3 | 170.9 | -71.3 | -55.6 | 0 | 0 | 0 | 111.4 | M955 D957 P1027 | M955-N959 WeakPolarHBondContact CB-O 3.32Å; M955-N959 PolarHBondContact N-O 3.11Å; D957-N959 VanDerWaalsContact C-N 3.33Å; D957-N959 WeakPolarHBondContact OD1-CB 3.35Å; D957-N959 PolarHBondContact OD1-N 2.84Å; D957-N959 PolarHBondContact OD2-ND2 3.28Å; N959-P1027 HydrophobicContact CB-CB 3.75Å; N959-P1027 HydrophobicContact CB-CG 4.06Å | ||
| 960 | A | 78.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 162 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V953 L977 W982 | V953-A960 CarbonylContact O-C 3.54Å; V953-A960 VanDerWaalsContact O-CA 3.23Å; V953-A960 WeakPolarHBondContact O-CA 3.34Å; V953-A960 WeakPolarHBondContact O-CB 3.19Å; A960-L977 HydrophobicContact CB-CB 3.85Å; A960-L977 HydrophobicContact CB-CD2 3.93Å; A960-L977 PolarHBondContact O-N 3.43Å; A960-W982 HydrophobicContact CB-CH2 3.8Å; A960-W982 HydrophobicContact CB-CZ2 4.43Å |
| 961 | W | 81.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.9 | 166.3 | 57.6 | -98.2 | 0 | 0 | 0 | 111 | I936 M951 V953 Y974 S975 T976 V1011 F1013 | I936-W961 HydrophobicContact CD1-CZ2 4.33Å; M951-W961 HydrophobicContact CE-CH2 3.96Å; M951-W961 HydrophobicContact CE-CZ3 4.31Å; M951-W961 HydrophobicContact SD-CZ3 4.39Å; V953-W961 HydrophobicContact CB-CD2 3.89Å; V953-W961 HydrophobicContact CB-CE3 4.19Å; V953-W961 HydrophobicContact CB-CG 4.47Å; V953-W961 HydrophobicContact CB-CH2 4.09Å; V953-W961 HydrophobicContact CB-CZ2 3.76Å; V953-W961 HydrophobicContact CB-CZ3 4.28Å; V953-W961 HydrophobicContact CG1-CZ2 3.96Å; V953-W961 HydrophobicContact CG2-CD2 4.26Å; V953-W961 HydrophobicContact CG2-CE3 4.13Å; V953-W961 HydrophobicContact CG2-CH2 3.45Å; V953-W961 VanDerWaalsContact CG2-CH2 3.45Å; V953-W961 HydrophobicContact CG2-CZ2 3.59Å; V953-W961 HydrophobicContact CG2-CZ3 3.72Å; V953-W961 PolarHBondContact N-O 2.93Å; V953-W961 PolarHBondContact O-N 3.44Å; W961-Y974 HydrophobicContact CB-CE2 3.81Å; W961-Y974 HydrophobicContact CD2-CE2 4.16Å; W961-Y974 AromaticContact CE3-CE2 3.93Å; W961-Y974 HydrophobicContact CE3-CE2 3.93Å; W961-Y974 HydrophobicContact CG-CE2 4.17Å; W961-S975 CarbonylContact C-O 3.59Å; W961-S975 VanDerWaalsContact CA-O 3.32Å; W961-S975 WeakPolarHBondContact CA-O 2.91Å; W961-T976 HydrophobicContact CB-CG2 4.28Å; W961-V1011 HydrophobicContact CZ2-CG2 4.31Å; W961-F1013 HydrophobicContact CE3-CZ 4.05Å; W961-F1013 AromaticContact CH2-CE1 3.66Å; W961-F1013 HydrophobicContact CH2-CE1 3.66Å; W961-F1013 AromaticContact CH2-CZ 3.8Å; W961-F1013 HydrophobicContact CH2-CZ 3.8Å; W961-F1013 AromaticContact CZ3-CE1 3.56Å; W961-F1013 HydrophobicContact CZ3-CE1 3.56Å; W961-F1013 AromaticContact CZ3-CZ 3.48Å; W961-F1013 HydrophobicContact CZ3-CZ 3.48Å; W961-F1013 VanDerWaalsContact CZ3-CZ 3.48Å |
| 962 | R | 82.3 | Confident | 77.3 | Confident | 72 Ų | 72 | 38.2 Ų | 38.2 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.3 | 177.3 | 75.3 | -179.7 | -174 | 172.2 | 0.8 | 112 | M951 K952 V964 Y974 S975 W982 | M951-R962 CarbonylContact O-C 3.51Å; M951-R962 WeakPolarHBondContact O-CA 3.23Å; M951-R962 WeakPolarHBondContact O-CB 3.46Å; K952-R962 HydrophobicContact CB-CB 4.29Å; R962-V964 HydrophobicContact CG-CG2 4.34Å; R962-Y974 WeakPolarHBondContact O-CD2 3.24Å; R962-S975 PolarHBondContact N-O 2.86Å; R962-S975 PolarHBondContact O-N 3.44Å; R962-W982 HydrophobicContact CB-CE3 4.41Å; R962-W982 HydrophobicContact CB-CH2 3.74Å; R962-W982 HydrophobicContact CB-CZ2 4.43Å; R962-W982 HydrophobicContact CB-CZ3 3.73Å; R962-W982 HydrophobicContact CG-CD2 4.26Å; R962-W982 HydrophobicContact CG-CE3 3.71Å; R962-W982 HydrophobicContact CG-CH2 3.93Å; R962-W982 HydrophobicContact CG-CZ2 4.45Å; R962-W982 HydrophobicContact CG-CZ3 3.54Å |
| 963 | L | 83.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.3 | 175.4 | -178.5 | 67.5 | 0 | 0 | 0 | 107.5 | M951 W972 N973 F988 F1013 | M951-L963 HydrophobicContact CB-CB 4.44Å; M951-L963 PolarHBondContact N-O 3.39Å; M951-L963 PolarHBondContact O-N 2.99Å; L963-W972 HydrophobicContact CD1-CB 4.44Å; L963-W972 HydrophobicContact CD1-CE3 4.06Å; L963-W972 HydrophobicContact CD2-CE3 3.78Å; L963-W972 HydrophobicContact CD2-CZ3 3.86Å; L963-W972 HydrophobicContact CG-CE3 3.8Å; L963-W972 HydrophobicContact CG-CZ3 4.21Å; L963-N973 WeakPolarHBondContact CA-O 3.42Å; L963-F988 HydrophobicContact CD1-CE1 3.87Å; L963-F988 HydrophobicContact CD1-CZ 4.15Å; L963-F1013 HydrophobicContact CD2-CD1 4.01Å; L963-F1013 HydrophobicContact CD2-CE1 4.02Å; L963-F1013 HydrophobicContact CD2-CG 4.45Å; L963-F1013 HydrophobicContact CD2-CZ 4.47Å |
| 964 | V | 85.1 | Confident | 77.7 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.3 | -175.3 | -179 | 0 | 0 | 0 | 0 | 109.3 | F949 R962 W972 N973 | F949-V964 CarbonylContact O-C 3.57Å; F949-V964 WeakPolarHBondContact O-CA 3.45Å; R962-V964 HydrophobicContact CG-CG2 4.34Å; V964-W972 CarbonylContact O-C 3.56Å; V964-W972 WeakPolarHBondContact O-CA 3.33Å; V964-N973 PolarHBondContact N-O 2.86Å; V964-N973 PolarHBondContact O-N 3.45Å |
| 965 | A | 84.1 | Confident | 78 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R948 F949 L967 W972 | R948-A965 WeakPolarHBondContact CA-O 3.47Å; F949-A965 HydrophobicContact CB-CB 4.24Å; F949-A965 HydrophobicContact CD1-CB 4.37Å; F949-A965 PolarHBondContact N-O 2.85Å; F949-A965 PolarHBondContact O-N 3.01Å; A965-L967 HydrophobicContact CB-CD2 4.04Å; A965-W972 HydrophobicContact CB-CD2 3.62Å; A965-W972 HydrophobicContact CB-CE3 3.7Å; A965-W972 HydrophobicContact CB-CG 4.23Å; A965-W972 HydrophobicContact CB-CH2 3.94Å; A965-W972 HydrophobicContact CB-CZ2 3.87Å; A965-W972 HydrophobicContact CB-CZ3 3.87Å |
| 966 | D | 83.5 | Confident | 78.2 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 99.6 | 165.2 | -171.4 | -47.1 | 0 | 0 | 0 | 107.5 | D968 K969 D970 E971 | D966-D968 VanDerWaalsContact C-N 3.3Å; D966-D968 PolarHBondContact O-N 2.91Å; D966-D968 PolarHBondContact OD1-N 3.2Å; D966-K969 HydrophobicContact CB-CB 4.31Å; D966-K969 VanDerWaalsContact CG-NZ 3.34Å; D966-K969 PolarHBondContact O-N 2.89Å; D966-K969 WeakPolarHBondContact OD1-CG 3.19Å; D966-K969 PolarHBondContact OD1-N 3.43Å; D966-K969 IonicContact OD1-NZ 3.77Å; D966-K969 PolarHBondContact OD1-NZ 3.29Å; D966-K969 IonicContact OD2-NZ 3.48Å; D966-K969 PolarHBondContact OD2-NZ 3.08Å; D966-D970 PolarHBondContact O-N 3.45Å; D966-E971 PolarHBondContact N-O 3.11Å; D966-E971 PolarHBondContact O-N 2.79Å |
| 967 | L | 79.7 | Confident | 78.8 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -23.6 | -170.3 | -59.2 | 174 | 0 | 0 | 0 | 112.2 | L942 A946 K947 A965 K969 L994 | L942-L967 HydrophobicContact CD1-CD1 3.89Å; L942-L967 HydrophobicContact CD2-CD1 4.31Å; A946-L967 HydrophobicContact CB-CD1 3.96Å; A946-L967 WeakPolarHBondContact O-CD1 3.41Å; K947-L967 WeakPolarHBondContact O-CB 3.48Å; K947-L967 PolarHBondContact O-N 3.46Å; A965-L967 HydrophobicContact CB-CD2 4.04Å; L967-K969 VanDerWaalsContact C-N 3.32Å; L967-L994 HydrophobicContact CD2-CB 4.26Å; L967-L994 HydrophobicContact CD2-CD1 4.24Å |
| 968 | D | 78.2 | Confident | 78.6 | Confident | 102 Ų | 102 | 33.9 Ų | 33.9 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.6 | 172.8 | -74.8 | -29.3 | 0 | 0 | 0 | 111.9 | K947 D966 | K947-D968 WeakPolarHBondContact CD-OD2 3.48Å; K947-D968 IonicContact NZ-OD1 2.76Å; K947-D968 IonicContact NZ-OD2 2.85Å; K947-D968 PolarHBondContact NZ-OD2 2.88Å; D966-D968 VanDerWaalsContact C-N 3.3Å; D966-D968 PolarHBondContact O-N 2.91Å; D966-D968 PolarHBondContact OD1-N 3.2Å |
| 969 | K | 76.9 | Confident | 78.5 | Confident | 110 Ų | 110 | 38.1 Ų | 38.1 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -3.5 | -178.8 | -67 | -175.8 | -166.6 | 68.1 | 0 | 115.5 | D966 L967 E971 K989 | D966-K969 HydrophobicContact CB-CB 4.31Å; D966-K969 VanDerWaalsContact CG-NZ 3.34Å; D966-K969 PolarHBondContact O-N 2.89Å; D966-K969 WeakPolarHBondContact OD1-CG 3.19Å; D966-K969 PolarHBondContact OD1-N 3.43Å; D966-K969 IonicContact OD1-NZ 3.77Å; D966-K969 PolarHBondContact OD1-NZ 3.29Å; D966-K969 IonicContact OD2-NZ 3.48Å; D966-K969 PolarHBondContact OD2-NZ 3.08Å; L967-K969 VanDerWaalsContact C-N 3.32Å; K969-E971 HydrophobicContact CB-CB 3.96Å; K969-E971 PolarHBondContact O-N 3.21Å; K969-K989 PolarHBondContact O-NZ 3.26Å |
| 970 | D | 72.1 | Confident | 78 | Confident | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 24.3 | -166.1 | -71.5 | -53.2 | 0 | 0 | 0 | 113.4 | D966 K989 S990 R993 | D966-D970 PolarHBondContact O-N 3.45Å; D970-K989 WeakPolarHBondContact O-CA 3.14Å; D970-S990 PolarHBondContact O-N 2.88Å; D970-R993 IonicContact OD1-NE 3.16Å; D970-R993 IonicContact OD2-CZ 2.73Å; D970-R993 VanDerWaalsContact OD2-CZ 3.3Å; D970-R993 IonicContact OD2-NE 2.8Å; D970-R993 PolarHBondContact OD2-NE 2.74Å; D970-R993 IonicContact OD2-NH2 3.75Å; D970-R993 PolarHBondContact OD2-NH2 2.71Å |
| 971 | E | 78.3 | Confident | 77.4 | Confident | 47 Ų | 47 | 48 Ų | 48 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.4 | -167 | -173.1 | 166.5 | -176.7 | 0 | 0 | 113.7 | D966 K969 S987 K989 | D966-E971 PolarHBondContact N-O 3.11Å; D966-E971 PolarHBondContact O-N 2.79Å; K969-E971 HydrophobicContact CB-CB 3.96Å; K969-E971 PolarHBondContact O-N 3.21Å; E971-S987 VanDerWaalsContact OE1-CB 3.25Å; E971-S987 WeakPolarHBondContact OE1-CB 3.44Å; E971-S987 PolarHBondContact OE1-OG 2.76Å; E971-K989 HydrophobicContact CB-CG 4.26Å; E971-K989 HydrophobicContact CG-CG 4.38Å; E971-K989 IonicContact OE2-NZ 4Å |
| 972 | W | 82.7 | Confident | 77 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.2 | -171.7 | -66.5 | 69 | 0 | 0 | 0 | 110.3 | F949 L963 V964 A965 S987 F988 L994 L1015 | F949-W972 AromaticContact CD1-CH2 4Å; F949-W972 HydrophobicContact CD1-CH2 4Å; F949-W972 AromaticContact CD1-CZ3 3.88Å; F949-W972 HydrophobicContact CD1-CZ3 3.88Å; F949-W972 HydrophobicContact CE1-CH2 4.32Å; F949-W972 HydrophobicContact CE1-CZ3 4.03Å; L963-W972 HydrophobicContact CD1-CB 4.44Å; L963-W972 HydrophobicContact CD1-CE3 4.06Å; L963-W972 HydrophobicContact CD2-CE3 3.78Å; L963-W972 HydrophobicContact CD2-CZ3 3.86Å; L963-W972 HydrophobicContact CG-CE3 3.8Å; L963-W972 HydrophobicContact CG-CZ3 4.21Å; V964-W972 CarbonylContact O-C 3.56Å; V964-W972 WeakPolarHBondContact O-CA 3.33Å; A965-W972 HydrophobicContact CB-CD2 3.62Å; A965-W972 HydrophobicContact CB-CE3 3.7Å; A965-W972 HydrophobicContact CB-CG 4.23Å; A965-W972 HydrophobicContact CB-CH2 3.94Å; A965-W972 HydrophobicContact CB-CZ2 3.87Å; A965-W972 HydrophobicContact CB-CZ3 3.87Å; W972-S987 CarbonylContact O-C 3.55Å; W972-S987 WeakPolarHBondContact O-CA 3.39Å; W972-S987 WeakPolarHBondContact O-CB 3.14Å; W972-F988 HydrophobicContact CB-CD1 3.89Å; W972-F988 HydrophobicContact CB-CD2 4.05Å; W972-F988 HydrophobicContact CB-CE1 3.47Å; W972-F988 VanDerWaalsContact CB-CE1 3.47Å; W972-F988 HydrophobicContact CB-CE2 3.65Å; W972-F988 HydrophobicContact CB-CG 4.16Å; W972-F988 HydrophobicContact CB-CZ 3.33Å; W972-F988 HydrophobicContact CD2-CE2 4.32Å; W972-F988 HydrophobicContact CD2-CZ 4.13Å; W972-F988 HydrophobicContact CE3-CZ 4.31Å; W972-F988 HydrophobicContact CG-CD2 4.4Å; W972-F988 HydrophobicContact CG-CE1 4.36Å; W972-F988 AromaticContact CG-CE2 3.76Å; W972-F988 HydrophobicContact CG-CE2 3.76Å; W972-F988 AromaticContact CG-CZ 3.74Å; W972-F988 HydrophobicContact CG-CZ 3.74Å; W972-F988 PolarHBondContact N-O 2.94Å; W972-F988 PolarHBondContact O-N 2.82Å; W972-L994 HydrophobicContact CH2-CD1 3.71Å; W972-L994 HydrophobicContact CZ2-CD1 3.45Å; W972-L994 VanDerWaalsContact CZ2-CD1 3.45Å; W972-L994 HydrophobicContact CZ2-CG 4.23Å; W972-L1015 HydrophobicContact CH2-CD1 3.99Å; W972-L1015 HydrophobicContact CH2-CD2 4.3Å; W972-L1015 HydrophobicContact CZ2-CD1 3.76Å |
| 973 | N | 83.3 | Confident | 76.6 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.7 | 179.2 | -73.5 | -90.9 | 0 | 0 | 0 | 110.4 | L963 V964 N984 | L963-N973 WeakPolarHBondContact CA-O 3.42Å; V964-N973 PolarHBondContact N-O 2.86Å; V964-N973 PolarHBondContact O-N 3.45Å; N973-N984 PolarHBondContact OD1-ND2 3.25Å |
| 974 | Y | 82.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.6 | 173.8 | 176.9 | -116.9 | 0 | 0 | 0 | 110.2 | W961 R962 T976 N984 R985 G986 F1013 Y1024 | W961-Y974 HydrophobicContact CB-CE2 3.81Å; W961-Y974 HydrophobicContact CD2-CE2 4.16Å; W961-Y974 AromaticContact CE3-CE2 3.93Å; W961-Y974 HydrophobicContact CE3-CE2 3.93Å; W961-Y974 HydrophobicContact CG-CE2 4.17Å; R962-Y974 WeakPolarHBondContact O-CD2 3.24Å; Y974-T976 HydrophobicContact CE1-CG2 4.11Å; Y974-N984 PolarHBondContact O-OD1 3.49Å; Y974-R985 HydrophobicContact CD1-CB 3.61Å; Y974-R985 HydrophobicContact CD1-CG 4.2Å; Y974-R985 HydrophobicContact CE1-CB 4.02Å; Y974-R985 HydrophobicContact CE1-CG 4.15Å; Y974-R985 PolarHBondContact O-N 3.47Å; Y974-G986 PolarHBondContact N-O 3.25Å; Y974-F1013 HydrophobicContact CD2-CE2 4.32Å; Y974-F1013 HydrophobicContact CD2-CZ 4.43Å; Y974-F1013 HydrophobicContact CE2-CE2 4.35Å; Y974-F1013 HydrophobicContact CE2-CZ 4.29Å; Y974-Y1024 HydrophobicContact CD1-CD1 4.29Å; Y974-Y1024 HydrophobicContact CD1-CD2 4.13Å; Y974-Y1024 AromaticContact CD1-CG 3.91Å; Y974-Y1024 HydrophobicContact CD1-CG 3.91Å; Y974-Y1024 HydrophobicContact CE1-CG 4.08Å |
| 975 | S | 81.9 | Confident | 75.4 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147.8 | 178.7 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | W961 R962 V983 | W961-S975 CarbonylContact C-O 3.59Å; W961-S975 VanDerWaalsContact CA-O 3.32Å; W961-S975 WeakPolarHBondContact CA-O 2.91Å; R962-S975 PolarHBondContact N-O 2.86Å; R962-S975 PolarHBondContact O-N 3.44Å; S975-V983 CarbonylContact C-O 3.48Å; S975-V983 VanDerWaalsContact CA-O 3.24Å; S975-V983 WeakPolarHBondContact CA-O 3.29Å; S975-V983 WeakPolarHBondContact CB-O 3.2Å |
| 976 | T | 78.8 | Confident | 74.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.6 | 174.2 | 52 | 0 | 0 | 0 | 0 | 109.7 | W961 Y974 V983 R985 P1027 | W961-T976 HydrophobicContact CB-CG2 4.28Å; Y974-T976 HydrophobicContact CE1-CG2 4.11Å; T976-V983 PolarHBondContact N-O 3.2Å; T976-V983 PolarHBondContact O-N 3.04Å; T976-R985 HydrophobicContact CG2-CG 3.94Å; T976-R985 PolarHBondContact OG1-NE 3.13Å; T976-P1027 HydrophobicContact CG2-CG 4.02Å |
| 977 | L | 73.3 | Confident | 74.6 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.7 | 168.7 | -170.2 | 73.4 | 0 | 0 | 0 | 108.3 | A960 E980 T981 W982 | A960-L977 HydrophobicContact CB-CB 3.85Å; A960-L977 HydrophobicContact CB-CD2 3.93Å; A960-L977 PolarHBondContact O-N 3.43Å; L977-E980 VanDerWaalsContact CD1-C 3.48Å; L977-E980 WeakPolarHBondContact CD1-O 3.01Å; L977-T981 WeakPolarHBondContact CA-O 3.07Å; L977-W982 HydrophobicContact CB-CD2 4.3Å; L977-W982 HydrophobicContact CB-CE3 4.03Å; L977-W982 HydrophobicContact CB-CH2 4.04Å; L977-W982 HydrophobicContact CB-CZ2 4.3Å; L977-W982 HydrophobicContact CB-CZ3 3.89Å; L977-W982 HydrophobicContact CD1-CD2 3.98Å; L977-W982 HydrophobicContact CD1-CG 4.17Å; L977-W982 HydrophobicContact CD1-CZ2 4.33Å |
| 978 | I | 63.5 | Low | 74.2 | Confident | 49 Ų | 49 | 62 Ų | 62 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 127.8 | 177.6 | -54.1 | 173.9 | 0 | 0 | 0 | 106.3 | E980 T981 V983 | I978-E980 PolarHBondContact O-N 3.33Å; I978-T981 PolarHBondContact N-O 2.78Å; I978-T981 PolarHBondContact O-N 2.99Å; I978-T981 PolarHBondContact O-OG1 2.82Å; I978-V983 HydrophobicContact CB-CG2 4.35Å; I978-V983 HydrophobicContact CD1-CB 4.35Å; I978-V983 HydrophobicContact CD1-CG2 4.15Å; I978-V983 HydrophobicContact CG1-CG2 4.48Å |
| 979 | D | 62.9 | Low | 73.9 | Confident | 150 Ų | 150 | 63.6 Ų | 63.6 | 80% | 0.802 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 49.4 | -178 | -53.3 | -32 | 0 | 0 | 0 | 111.8 | T981 | D979-T981 PolarHBondContact O-N 2.82Š|
| 980 | E | 65.8 | Low | 73.4 | Confident | 175 Ų | 175 | 59 Ų | 59 | 82% | 0.818 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 4.2 | -175.2 | -56.8 | -170.5 | 160.7 | 0 | 0 | 116.5 | L977 I978 | L977-E980 VanDerWaalsContact CD1-C 3.48Å; L977-E980 WeakPolarHBondContact CD1-O 3.01Å; I978-E980 PolarHBondContact O-N 3.33Å |
| 981 | T | 66.3 | Low | 72.9 | Confident | 86 Ų | 86 | 63 Ų | 63 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.7 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | L977 I978 D979 V983 | L977-T981 WeakPolarHBondContact CA-O 3.07Å; I978-T981 PolarHBondContact N-O 2.78Å; I978-T981 PolarHBondContact O-N 2.99Å; I978-T981 PolarHBondContact O-OG1 2.82Å; D979-T981 PolarHBondContact O-N 2.82Å; T981-V983 PolarHBondContact O-N 2.61Å |
| 982 | W | 72.1 | Confident | 72.1 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 90.8 | 179.6 | -78.6 | 109.9 | 0 | 0 | 0 | 112.1 | K952 A960 R962 L977 N984 | K952-W982 HydrophobicContact CD-CZ2 4.21Å; K952-W982 HydrophobicContact CG-CH2 4.39Å; K952-W982 HydrophobicContact CG-CZ2 4.41Å; A960-W982 HydrophobicContact CB-CH2 3.8Å; A960-W982 HydrophobicContact CB-CZ2 4.43Å; R962-W982 HydrophobicContact CB-CE3 4.41Å; R962-W982 HydrophobicContact CB-CH2 3.74Å; R962-W982 HydrophobicContact CB-CZ2 4.43Å; R962-W982 HydrophobicContact CB-CZ3 3.73Å; R962-W982 HydrophobicContact CG-CD2 4.26Å; R962-W982 HydrophobicContact CG-CE3 3.71Å; R962-W982 HydrophobicContact CG-CH2 3.93Å; R962-W982 HydrophobicContact CG-CZ2 4.45Å; R962-W982 HydrophobicContact CG-CZ3 3.54Å; L977-W982 HydrophobicContact CB-CD2 4.3Å; L977-W982 HydrophobicContact CB-CE3 4.03Å; L977-W982 HydrophobicContact CB-CH2 4.04Å; L977-W982 HydrophobicContact CB-CZ2 4.3Å; L977-W982 HydrophobicContact CB-CZ3 3.89Å; L977-W982 HydrophobicContact CD1-CD2 3.98Å; L977-W982 HydrophobicContact CD1-CG 4.17Å; L977-W982 HydrophobicContact CD1-CZ2 4.33Å; W982-N984 PolarHBondContact O-N 2.83Å |
| 983 | V | 73.4 | Confident | 71.1 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 115.8 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | S975 T976 I978 T981 R985 | S975-V983 CarbonylContact C-O 3.48Å; S975-V983 VanDerWaalsContact CA-O 3.24Å; S975-V983 WeakPolarHBondContact CA-O 3.29Å; S975-V983 WeakPolarHBondContact CB-O 3.2Å; T976-V983 PolarHBondContact N-O 3.2Å; T976-V983 PolarHBondContact O-N 3.04Å; I978-V983 HydrophobicContact CB-CG2 4.35Å; I978-V983 HydrophobicContact CD1-CB 4.35Å; I978-V983 HydrophobicContact CD1-CG2 4.15Å; I978-V983 HydrophobicContact CG1-CG2 4.48Å; T981-V983 PolarHBondContact O-N 2.61Å; V983-R985 PolarHBondContact O-N 3.34Å |
| 984 | N | 76.3 | Confident | 70.1 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.8 | 171.8 | -169.8 | -11.4 | 0 | 0 | 0 | 109.7 | N973 Y974 W982 G986 | N973-N984 PolarHBondContact OD1-ND2 3.25Å; Y974-N984 PolarHBondContact O-OD1 3.49Å; W982-N984 PolarHBondContact O-N 2.83Å; N984-G986 PolarHBondContact OD1-N 3.15Å; N984-G986 PolarHBondContact OD1-O 3.04Å |
| 985 | R | 69.2 | Low | 69 | Low | 132 Ų | 132 | 69.6 Ų | 69.6 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -8 | -178.4 | -68 | -59.1 | -163.5 | 156.8 | 7.2 | 113.2 | Y974 T976 V983 | Y974-R985 HydrophobicContact CD1-CB 3.61Å; Y974-R985 HydrophobicContact CD1-CG 4.2Å; Y974-R985 HydrophobicContact CE1-CB 4.02Å; Y974-R985 HydrophobicContact CE1-CG 4.15Å; Y974-R985 PolarHBondContact O-N 3.47Å; T976-R985 HydrophobicContact CG2-CG 3.94Å; T976-R985 PolarHBondContact OG1-NE 3.13Å; V983-R985 PolarHBondContact O-N 3.34Å |
| 986 | G | 73 | Confident | 67.8 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | 159.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y974 N984 | Y974-G986 PolarHBondContact N-O 3.25Å; N984-G986 PolarHBondContact OD1-N 3.15Å; N984-G986 PolarHBondContact OD1-O 3.04Å |
| 987 | S | 76.6 | Confident | 66.6 | Low | 57 Ų | 57 | 80.2 Ų | 80.2 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 158.1 | 166.1 | 74.8 | 0 | 0 | 0 | 0 | 112 | E971 W972 | E971-S987 VanDerWaalsContact OE1-CB 3.25Å; E971-S987 WeakPolarHBondContact OE1-CB 3.44Å; E971-S987 PolarHBondContact OE1-OG 2.76Å; W972-S987 CarbonylContact O-C 3.55Å; W972-S987 WeakPolarHBondContact O-CA 3.39Å; W972-S987 WeakPolarHBondContact O-CB 3.14Å |
| 988 | F | 72.1 | Confident | 66.2 | Low | 24 Ų | 24 | 79.8 Ų | 79.8 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.6 | 170.8 | 64.9 | -85.2 | 0 | 0 | 0 | 110.1 | L963 W972 V1020 T1021 | L963-F988 HydrophobicContact CD1-CE1 3.87Å; L963-F988 HydrophobicContact CD1-CZ 4.15Å; W972-F988 HydrophobicContact CB-CD1 3.89Å; W972-F988 HydrophobicContact CB-CD2 4.05Å; W972-F988 HydrophobicContact CB-CE1 3.47Å; W972-F988 VanDerWaalsContact CB-CE1 3.47Å; W972-F988 HydrophobicContact CB-CE2 3.65Å; W972-F988 HydrophobicContact CB-CG 4.16Å; W972-F988 HydrophobicContact CB-CZ 3.33Å; W972-F988 HydrophobicContact CD2-CE2 4.32Å; W972-F988 HydrophobicContact CD2-CZ 4.13Å; W972-F988 HydrophobicContact CE3-CZ 4.31Å; W972-F988 HydrophobicContact CG-CD2 4.4Å; W972-F988 HydrophobicContact CG-CE1 4.36Å; W972-F988 AromaticContact CG-CE2 3.76Å; W972-F988 HydrophobicContact CG-CE2 3.76Å; W972-F988 AromaticContact CG-CZ 3.74Å; W972-F988 HydrophobicContact CG-CZ 3.74Å; W972-F988 PolarHBondContact N-O 2.94Å; W972-F988 PolarHBondContact O-N 2.82Å; F988-V1020 HydrophobicContact CE2-CB 4.29Å; F988-V1020 HydrophobicContact CE2-CG2 4.27Å; F988-T1021 HydrophobicContact CD1-CG2 3.89Å; F988-T1021 HydrophobicContact CD2-CG2 4.18Å; F988-T1021 HydrophobicContact CE1-CG2 3.41Å; F988-T1021 VanDerWaalsContact CE1-CG2 3.41Å; F988-T1021 HydrophobicContact CE2-CG2 3.74Å; F988-T1021 HydrophobicContact CG-CG2 4.25Å; F988-T1021 HydrophobicContact CZ-CG2 3.33Å |
| 989 | K | 71 | Confident | 66.7 | Low | 135 Ų | 135 | 80.7 Ų | 80.7 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135 | 171.6 | -66.8 | -157.8 | 174.4 | -142.7 | 0 | 111 | K969 D970 E971 | K969-K989 PolarHBondContact O-NZ 3.26Å; D970-K989 WeakPolarHBondContact O-CA 3.14Å; E971-K989 HydrophobicContact CB-CG 4.26Å; E971-K989 HydrophobicContact CG-CG 4.38Å; E971-K989 IonicContact OE2-NZ 4Å |
| 990 | S | 66 | Low | 67.2 | Low | 12 Ų | 12 | 73.7 Ų | 73.7 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | trans | -79.7 | 134.7 | 177.7 | 179 | 0 | 0 | 0 | 0 | 110.4 | D970 I992 | D970-S990 PolarHBondContact O-N 2.88Å; S990-I992 PolarHBondContact O-N 2.94Å; S990-I992 WeakPolarHBondContact OG-CA 3.46Å; S990-I992 PolarHBondContact OG-N 3.11Å; S990-I992 PolarHBondContact OG-O 2.91Å | ||
| 991 | S | 62.3 | Low | 67.6 | Low | 114 Ų | 114 | 67.1 Ų | 67.1 | 80% | 0.797 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -78.1 | 0.1 | 165.8 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||
| 992 | I | 61.3 | Low | 68.1 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -115.4 | 106.8 | 177.3 | -53.6 | 171.3 | 0 | 0 | 0 | 107.9 | S990 L994 L1015 R1018 V1020 | S990-I992 PolarHBondContact O-N 2.94Å; S990-I992 WeakPolarHBondContact OG-CA 3.46Å; S990-I992 PolarHBondContact OG-N 3.11Å; S990-I992 PolarHBondContact OG-O 2.91Å; I992-L994 HydrophobicContact CG2-CD2 4.25Å; I992-L994 PolarHBondContact O-N 3.38Å; I992-L1015 HydrophobicContact CD1-CB 3.96Å; I992-L1015 WeakPolarHBondContact CD1-O 3.32Å; I992-R1018 HydrophobicContact CD1-CB 4Å; I992-R1018 HydrophobicContact CD1-CG 4.44Å; I992-V1020 HydrophobicContact CD1-CG1 4.18Å |
| 993 | R | 62 | Low | 68.4 | Low | 151 Ų | 151 | 63.8 Ų | 63.8 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -65.2 | 126 | 166 | -63.7 | -158.6 | 147.5 | 155.1 | -0.3 | 109.4 | D970 | D970-R993 IonicContact OD1-NE 3.16Å; D970-R993 IonicContact OD2-CZ 2.73Å; D970-R993 VanDerWaalsContact OD2-CZ 3.3Å; D970-R993 IonicContact OD2-NE 2.8Å; D970-R993 PolarHBondContact OD2-NE 2.74Å; D970-R993 IonicContact OD2-NH2 3.75Å; D970-R993 PolarHBondContact OD2-NH2 2.71Å | ||
| 994 | L | 62.8 | Low | 68.4 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -88.5 | -27.6 | 177.1 | -67.6 | -170.7 | 0 | 0 | 0 | 113 | L942 L967 W972 I992 D996 K997 G998 F1000 | L942-L994 HydrophobicContact CD1-CB 4.21Å; L967-L994 HydrophobicContact CD2-CB 4.26Å; L967-L994 HydrophobicContact CD2-CD1 4.24Å; W972-L994 HydrophobicContact CH2-CD1 3.71Å; W972-L994 HydrophobicContact CZ2-CD1 3.45Å; W972-L994 VanDerWaalsContact CZ2-CD1 3.45Å; W972-L994 HydrophobicContact CZ2-CG 4.23Å; I992-L994 HydrophobicContact CG2-CD2 4.25Å; I992-L994 PolarHBondContact O-N 3.38Å; L994-D996 VanDerWaalsContact C-N 3.26Å; L994-D996 PolarHBondContact O-N 2.75Å; L994-K997 PolarHBondContact O-N 2.8Å; L994-G998 PolarHBondContact O-N 2.94Å; L994-F1000 HydrophobicContact CD1-CD1 3.83Å; L994-F1000 HydrophobicContact CD1-CD2 4.18Å; L994-F1000 HydrophobicContact CD1-CE1 3.61Å; L994-F1000 HydrophobicContact CD1-CE2 3.96Å; L994-F1000 HydrophobicContact CD1-CG 4.11Å; L994-F1000 HydrophobicContact CD1-CZ 3.66Å; L994-F1000 HydrophobicContact CD2-CB 3.86Å; L994-F1000 HydrophobicContact CD2-CD1 3.99Å; L994-F1000 HydrophobicContact CD2-CD2 4.29Å; L994-F1000 HydrophobicContact CD2-CG 3.81Å; L994-F1000 HydrophobicContact CG-CD1 4.4Å |
| 995 | A | 57.9 | Low | 68.2 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 60% | 0.603 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -43.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K997 | A995-K997 VanDerWaalsContact C-N 3.26Å; A995-K997 PolarHBondContact O-N 2.93Å |
| 996 | D | 57.1 | Low | 67.9 | Low | 133 Ų | 133 | 52.6 Ų | 52.6 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.4 | -177.7 | -54.8 | -33.8 | 0 | 0 | 0 | 114.2 | L994 | L994-D996 VanDerWaalsContact C-N 3.26Å; L994-D996 PolarHBondContact O-N 2.75Å |
| 997 | K | 53.9 | Low | 67.3 | Low | 98 Ų | 98 | 52.3 Ų | 52.3 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -34.8 | -171.2 | -72.6 | -175.8 | 175.9 | 176.8 | 0 | 114.2 | L994 A995 V999 D1016 | L994-K997 PolarHBondContact O-N 2.8Å; A995-K997 VanDerWaalsContact C-N 3.26Å; A995-K997 PolarHBondContact O-N 2.93Å; K997-V999 PolarHBondContact O-N 2.87Å; K997-D1016 IonicContact NZ-OD2 2.69Å; K997-D1016 PolarHBondContact NZ-OD2 2.81Å |
| 998 | G | 65.4 | Low | 66.6 | Low | 26 Ų | 26 | 55.3 Ų | 55.3 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 65.4 | -27.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K941 L942 L994 | K941-G998 CarbonylContact C-O 3.55Å; K941-G998 VanDerWaalsContact CA-O 3.3Å; K941-G998 WeakPolarHBondContact CA-O 3.16Å; K941-G998 WeakPolarHBondContact CG-O 3.23Å; L942-G998 PolarHBondContact N-O 2.81Å; L994-G998 PolarHBondContact O-N 2.94Å |
| 999 | V | 73.6 | Confident | 66 | Low | 69 Ų | 69 | 60 Ų | 60 | 42% | 0.418 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.7 | 173.4 | -175 | 0 | 0 | 0 | 0 | 109.6 | I939 V940 K941 K997 | I939-V999 HydrophobicContact CG2-CG1 3.92Å; V940-V999 VanDerWaalsContact O-CA 3.32Å; V940-V999 WeakPolarHBondContact O-CA 3.07Å; K941-V999 HydrophobicContact CB-CG2 3.96Å; K941-V999 HydrophobicContact CD-CG2 4.14Å; K941-V999 HydrophobicContact CG-CG2 3.79Å; K997-V999 PolarHBondContact O-N 2.87Å |
| 1000 | F | 73.5 | Confident | 66 | Low | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 157.6 | 174.3 | 62.8 | -82.9 | 0 | 0 | 0 | 111.3 | V940 L942 F949 L994 L1002 L1015 D1016 | V940-F1000 HydrophobicContact CB-CD1 4.19Å; V940-F1000 HydrophobicContact CB-CD2 4.41Å; V940-F1000 HydrophobicContact CB-CE1 3.68Å; V940-F1000 HydrophobicContact CB-CE2 3.95Å; V940-F1000 HydrophobicContact CB-CZ 3.57Å; V940-F1000 HydrophobicContact CG1-CE1 3.64Å; V940-F1000 HydrophobicContact CG1-CE2 4.47Å; V940-F1000 HydrophobicContact CG1-CZ 3.63Å; V940-F1000 HydrophobicContact CG2-CE2 4.09Å; V940-F1000 HydrophobicContact CG2-CZ 4.03Å; V940-F1000 PolarHBondContact N-O 3.42Å; V940-F1000 PolarHBondContact O-N 3.43Å; L942-F1000 HydrophobicContact CD1-CE1 4.14Å; L942-F1000 HydrophobicContact CD2-CE1 4.07Å; L942-F1000 HydrophobicContact CG-CE1 3.92Å; F949-F1000 HydrophobicContact CD1-CZ 4.38Å; F949-F1000 HydrophobicContact CD2-CZ 4.34Å; F949-F1000 HydrophobicContact CE1-CZ 4.35Å; F949-F1000 HydrophobicContact CE2-CZ 4.3Å; F949-F1000 HydrophobicContact CG-CZ 4.37Å; F949-F1000 HydrophobicContact CZ-CZ 4.3Å; L994-F1000 HydrophobicContact CD1-CD1 3.83Å; L994-F1000 HydrophobicContact CD1-CD2 4.18Å; L994-F1000 HydrophobicContact CD1-CE1 3.61Å; L994-F1000 HydrophobicContact CD1-CE2 3.96Å; L994-F1000 HydrophobicContact CD1-CG 4.11Å; L994-F1000 HydrophobicContact CD1-CZ 3.66Å; L994-F1000 HydrophobicContact CD2-CB 3.86Å; L994-F1000 HydrophobicContact CD2-CD1 3.99Å; L994-F1000 HydrophobicContact CD2-CD2 4.29Å; L994-F1000 HydrophobicContact CD2-CG 3.81Å; L994-F1000 HydrophobicContact CG-CD1 4.4Å; F1000-L1002 HydrophobicContact CD2-CB 4.24Å; F1000-L1002 HydrophobicContact CE2-CB 4.01Å; F1000-L1015 HydrophobicContact CD2-CD2 3.44Å; F1000-L1015 VanDerWaalsContact CD2-CD2 3.44Å; F1000-L1015 HydrophobicContact CE2-CD2 3.72Å; F1000-L1015 HydrophobicContact CG-CD2 4.46Å; F1000-D1016 WeakPolarHBondContact CA-OD1 3.4Å |
| 1001 | S | 72.9 | Confident | 66.3 | Low | 37 Ų | 37 | 54.4 Ų | 54.4 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.2 | 163.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | A938 L1015 D1016 | A938-S1001 CarbonylContact O-C 3.59Å; A938-S1001 WeakPolarHBondContact O-CA 3.42Å; S1001-L1015 CarbonylContact O-C 3.45Å; S1001-L1015 WeakPolarHBondContact O-CA 3.48Å; S1001-D1016 PolarHBondContact N-OD1 3.37Å; S1001-D1016 PolarHBondContact O-N 3.44Å; S1001-D1016 WeakPolarHBondContact OG-CA 3.01Å; S1001-D1016 PolarHBondContact OG-OD1 2.9Å |
| 1002 | L | 78.2 | Confident | 67 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.5 | 175.1 | 174.8 | 62.4 | 0 | 0 | 0 | 108.1 | S937 A938 F949 M951 F1000 Y1014 L1015 | S937-L1002 CarbonylContact C-O 3.5Å; S937-L1002 WeakPolarHBondContact CA-O 3.43Å; A938-L1002 PolarHBondContact N-O 2.9Å; A938-L1002 PolarHBondContact O-N 3.33Å; F949-L1002 HydrophobicContact CE1-CD2 3.85Å; F949-L1002 HydrophobicContact CZ-CD2 3.81Å; M951-L1002 HydrophobicContact SD-CD2 3.59Å; M951-L1002 VanDerWaalsContact SD-CD2 3.59Å; M951-L1002 HydrophobicContact SD-CG 4.48Å; F1000-L1002 HydrophobicContact CD2-CB 4.24Å; F1000-L1002 HydrophobicContact CE2-CB 4.01Å; L1002-Y1014 WeakPolarHBondContact CA-O 3.29Å; L1002-L1015 HydrophobicContact CB-CD2 4.19Å; L1002-L1015 HydrophobicContact CD1-CD2 3.76Å; L1002-L1015 HydrophobicContact CD1-CG 4.3Å |
| 1003 | R | 77.9 | Confident | 67.8 | Low | 83 Ų | 83 | 49 Ų | 49 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.7 | 179.1 | -171.4 | 175.7 | -151.1 | -171.3 | 0.5 | 109.9 | I936 S937 Y1014 D1017 E1048 | I936-R1003 CarbonylContact O-C 3.59Å; I936-R1003 VanDerWaalsContact O-CA 3.32Å; I936-R1003 WeakPolarHBondContact O-CA 3.31Å; S937-R1003 PolarHBondContact OG-NE 2.79Å; R1003-Y1014 PolarHBondContact N-O 2.71Å; R1003-Y1014 PolarHBondContact O-N 3.34Å; R1003-D1017 IonicContact NH1-OD1 3.37Å; R1003-E1048 IonicContact CZ-OE1 2.64Å; R1003-E1048 IonicContact NH2-OE1 3.5Å; R1003-E1048 PolarHBondContact NH2-OE1 3Å |
| 1004 | S | 74.2 | Confident | 68.6 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138 | 166.9 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | A935 I936 E1012 | A935-S1004 VanDerWaalsContact CA-O 3.29Å; A935-S1004 WeakPolarHBondContact CA-O 3.28Å; I936-S1004 PolarHBondContact N-O 3.06Å; I936-S1004 VanDerWaalsContact N-O 3.12Å; I936-S1004 PolarHBondContact O-N 3.47Å; S1004-E1012 WeakPolarHBondContact CA-O 3.24Å |
| 1005 | V | 70.9 | Confident | 69.3 | Low | 34 Ų | 34 | 44.4 Ų | 44.4 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.1 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | T933 V1011 E1012 Y1014 W1023 | T933-V1005 HydrophobicContact CG2-CG1 4.37Å; V1005-V1011 WeakPolarHBondContact O-CA 3.42Å; V1005-E1012 PolarHBondContact N-O 2.66Å; V1005-E1012 PolarHBondContact O-N 2.98Å; V1005-Y1014 HydrophobicContact CB-CE2 4.41Å; V1005-Y1014 HydrophobicContact CG2-CD2 4.05Å; V1005-Y1014 HydrophobicContact CG2-CE2 3.83Å; V1005-W1023 HydrophobicContact CG1-CH2 4.15Å; V1005-W1023 WeakPolarHBondContact O-CZ3 3.46Å |
| 1006 | M | 64 | Low | 70 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.5 | 178.4 | -66 | 171.2 | -87.4 | 0 | 0 | 110.3 | T933 K934 I936 S1010 V1011 M1026 | T933-M1006 WeakPolarHBondContact CG2-O 3.25Å; K934-M1006 HydrophobicContact CB-CB 4.44Å; K934-M1006 HydrophobicContact CB-CE 3.79Å; K934-M1006 PolarHBondContact N-O 3.26Å; K934-M1006 WeakPolarHBondContact O-CB 3.39Å; K934-M1006 PolarHBondContact O-N 2.84Å; I936-M1006 HydrophobicContact CD1-CE 3.78Å; I936-M1006 HydrophobicContact CG1-CE 3.74Å; M1006-S1010 WeakPolarHBondContact CA-O 3.37Å; M1006-V1011 HydrophobicContact CG-CG2 4.27Å; M1006-M1026 HydrophobicContact CB-CE 4.04Å; M1006-M1026 HydrophobicContact CB-SD 4.41Å; M1006-M1026 HydrophobicContact CG-CE 3.93Å; M1006-M1026 HydrophobicContact CG-SD 3.66Å; M1006-M1026 HydrophobicContact SD-CE 3.95Å; M1006-M1026 HydrophobicContact SD-SD 3.62Å; M1006-M1026 VanDerWaalsContact SD-SD 3.62Å |
| 1007 | G | 60.1 | Low | 70.6 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | trans | -79.8 | -167.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1009 S1010 | G1007-D1009 PolarHBondContact O-N 2.8Å; G1007-S1010 PolarHBondContact N-O 3.1Å | ||
| 1008 | N | 60.8 | Low | 71.4 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -59.3 | -50.6 | -177.1 | -69.4 | 3.5 | 0 | 0 | 0 | 112.3 | ||
| 1009 | D | 60.9 | Low | 71.9 | Confident | 121 Ų | 121 | 49.9 Ų | 49.9 | 65% | 0.647 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -129.2 | 17 | -171.4 | -44.7 | -83.7 | 0 | 0 | 0 | 112.2 | G1007 S1025 M1026 | G1007-D1009 PolarHBondContact O-N 2.8Å; D1009-S1025 WeakPolarHBondContact O-CA 3.3Å; D1009-M1026 PolarHBondContact O-N 3.03Å |
| 1010 | S | 70.5 | Confident | 71.6 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 22% | 0.217 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 157.6 | -174.7 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | M1006 G1007 Y1024 | M1006-S1010 WeakPolarHBondContact CA-O 3.37Å; G1007-S1010 PolarHBondContact N-O 3.1Å; S1010-Y1024 CarbonylContact C-O 3.53Å; S1010-Y1024 WeakPolarHBondContact CA-O 3.32Å; S1010-Y1024 WeakPolarHBondContact CB-O 3.47Å |
| 1011 | V | 72.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.6 | -178.3 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | W961 V1005 M1006 F1013 Y1024 M1026 | W961-V1011 HydrophobicContact CZ2-CG2 4.31Å; V1005-V1011 WeakPolarHBondContact O-CA 3.42Å; M1006-V1011 HydrophobicContact CG-CG2 4.27Å; V1011-F1013 HydrophobicContact CG1-CE2 3.83Å; V1011-F1013 HydrophobicContact CG1-CZ 4.04Å; V1011-F1013 HydrophobicContact CG2-CE1 4.28Å; V1011-F1013 HydrophobicContact CG2-CE2 4.11Å; V1011-F1013 HydrophobicContact CG2-CZ 3.9Å; V1011-Y1024 PolarHBondContact N-O 3.35Å; V1011-Y1024 PolarHBondContact O-N 3.32Å; V1011-M1026 HydrophobicContact CB-CB 4.47Å; V1011-M1026 HydrophobicContact CB-SD 4.43Å; V1011-M1026 HydrophobicContact CG1-CB 4.45Å |
| 1012 | E | 77.2 | Confident | 70.8 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.4 | 177.7 | -172.7 | -179.2 | -119.2 | 0 | 0 | 109.6 | S1004 V1005 Y1014 K1019 W1023 | S1004-E1012 WeakPolarHBondContact CA-O 3.24Å; V1005-E1012 PolarHBondContact N-O 2.66Å; V1005-E1012 PolarHBondContact O-N 2.98Å; E1012-Y1014 HydrophobicContact CB-CE2 4.3Å; E1012-Y1014 HydrophobicContact CG-CE2 3.79Å; E1012-Y1014 VanDerWaalsContact OE2-CE2 3.23Å; E1012-Y1014 WeakPolarHBondContact OE2-CE2 3.5Å; E1012-Y1014 VanDerWaalsContact OE2-CZ 3.28Å; E1012-Y1014 PolarHBondContact OE2-OH 3.09Å; E1012-K1019 HydrophobicContact CG-CD 4.38Å; E1012-K1019 HydrophobicContact CG-CG 4.39Å; E1012-K1019 WeakPolarHBondContact OE1-CD 3.25Å; E1012-K1019 WeakPolarHBondContact OE1-CE 3.1Å; E1012-K1019 IonicContact OE1-NZ 2.66Å; E1012-K1019 PolarHBondContact OE1-NZ 2.96Å; E1012-W1023 HydrophobicContact CB-CD2 3.79Å; E1012-W1023 HydrophobicContact CB-CE3 3.75Å; E1012-W1023 HydrophobicContact CB-CG 4.41Å; E1012-W1023 HydrophobicContact CB-CH2 4.01Å; E1012-W1023 HydrophobicContact CB-CZ2 4.04Å; E1012-W1023 HydrophobicContact CB-CZ3 3.85Å; E1012-W1023 HydrophobicContact CG-CD2 4.45Å; E1012-W1023 PolarHBondContact OE1-NE1 2.73Å |
| 1013 | F | 77.9 | Confident | 70.1 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.1 | -172.8 | -63 | -87 | 0 | 0 | 0 | 113.2 | W961 L963 Y974 V1011 V1020 T1021 | W961-F1013 HydrophobicContact CE3-CZ 4.05Å; W961-F1013 AromaticContact CH2-CE1 3.66Å; W961-F1013 HydrophobicContact CH2-CE1 3.66Å; W961-F1013 AromaticContact CH2-CZ 3.8Å; W961-F1013 HydrophobicContact CH2-CZ 3.8Å; W961-F1013 AromaticContact CZ3-CE1 3.56Å; W961-F1013 HydrophobicContact CZ3-CE1 3.56Å; W961-F1013 AromaticContact CZ3-CZ 3.48Å; W961-F1013 HydrophobicContact CZ3-CZ 3.48Å; W961-F1013 VanDerWaalsContact CZ3-CZ 3.48Å; L963-F1013 HydrophobicContact CD2-CD1 4.01Å; L963-F1013 HydrophobicContact CD2-CE1 4.02Å; L963-F1013 HydrophobicContact CD2-CG 4.45Å; L963-F1013 HydrophobicContact CD2-CZ 4.47Å; Y974-F1013 HydrophobicContact CD2-CE2 4.32Å; Y974-F1013 HydrophobicContact CD2-CZ 4.43Å; Y974-F1013 HydrophobicContact CE2-CE2 4.35Å; Y974-F1013 HydrophobicContact CE2-CZ 4.29Å; V1011-F1013 HydrophobicContact CG1-CE2 3.83Å; V1011-F1013 HydrophobicContact CG1-CZ 4.04Å; V1011-F1013 HydrophobicContact CG2-CE1 4.28Å; V1011-F1013 HydrophobicContact CG2-CE2 4.11Å; V1011-F1013 HydrophobicContact CG2-CZ 3.9Å; F1013-V1020 HydrophobicContact CB-CG2 4.26Å; F1013-V1020 WeakPolarHBondContact O-CG2 3.4Å; F1013-V1020 PolarHBondContact O-N 2.92Å; F1013-T1021 HydrophobicContact CB-CG2 3.94Å; F1013-T1021 HydrophobicContact CD2-CG2 3.9Å; F1013-T1021 HydrophobicContact CG-CG2 4.36Å; F1013-T1021 PolarHBondContact N-OG1 3.33Å |
| 1014 | Y | 78.1 | Confident | 69.5 | Low | 56 Ų | 56 | 53.2 Ų | 53.2 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.9 | -179.4 | -66.4 | -110.7 | 0 | 0 | 0 | 110.2 | L1002 R1003 V1005 E1012 R1018 K1019 | L1002-Y1014 WeakPolarHBondContact CA-O 3.29Å; R1003-Y1014 PolarHBondContact N-O 2.71Å; R1003-Y1014 PolarHBondContact O-N 3.34Å; V1005-Y1014 HydrophobicContact CB-CE2 4.41Å; V1005-Y1014 HydrophobicContact CG2-CD2 4.05Å; V1005-Y1014 HydrophobicContact CG2-CE2 3.83Å; E1012-Y1014 HydrophobicContact CB-CE2 4.3Å; E1012-Y1014 HydrophobicContact CG-CE2 3.79Å; E1012-Y1014 VanDerWaalsContact OE2-CE2 3.23Å; E1012-Y1014 WeakPolarHBondContact OE2-CE2 3.5Å; E1012-Y1014 VanDerWaalsContact OE2-CZ 3.28Å; E1012-Y1014 PolarHBondContact OE2-OH 3.09Å; Y1014-R1018 CarbonylContact C-O 3.53Å; Y1014-R1018 WeakPolarHBondContact CA-O 3.11Å; Y1014-K1019 HydrophobicContact CD1-CB 4.03Å; Y1014-K1019 VanDerWaalsContact CD1-N 3.34Å; Y1014-K1019 HydrophobicContact CE1-CB 3.72Å |
| 1015 | L | 77.1 | Confident | 69 | Low | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.8 | 172.3 | -77.1 | 171.9 | 0 | 0 | 0 | 109 | W972 I992 F1000 S1001 L1002 D1017 R1018 V1020 | W972-L1015 HydrophobicContact CH2-CD1 3.99Å; W972-L1015 HydrophobicContact CH2-CD2 4.3Å; W972-L1015 HydrophobicContact CZ2-CD1 3.76Å; I992-L1015 HydrophobicContact CD1-CB 3.96Å; I992-L1015 WeakPolarHBondContact CD1-O 3.32Å; F1000-L1015 HydrophobicContact CD2-CD2 3.44Å; F1000-L1015 VanDerWaalsContact CD2-CD2 3.44Å; F1000-L1015 HydrophobicContact CE2-CD2 3.72Å; F1000-L1015 HydrophobicContact CG-CD2 4.46Å; S1001-L1015 CarbonylContact O-C 3.45Å; S1001-L1015 WeakPolarHBondContact O-CA 3.48Å; L1002-L1015 HydrophobicContact CB-CD2 4.19Å; L1002-L1015 HydrophobicContact CD1-CD2 3.76Å; L1002-L1015 HydrophobicContact CD1-CG 4.3Å; L1015-D1017 VanDerWaalsContact C-N 3.3Å; L1015-D1017 PolarHBondContact O-N 3.47Å; L1015-R1018 PolarHBondContact N-O 2.62Å; L1015-R1018 WeakPolarHBondContact O-CB 3.26Å; L1015-R1018 PolarHBondContact O-N 3.06Å; L1015-V1020 HydrophobicContact CB-CG1 4.22Å; L1015-V1020 HydrophobicContact CB-CG2 4.44Å; L1015-V1020 HydrophobicContact CD1-CG1 4.25Å; L1015-V1020 HydrophobicContact CD1-CG2 4.09Å; L1015-V1020 HydrophobicContact CG-CG2 4.09Å |
| 1016 | D | 72.7 | Confident | 68.7 | Low | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 50.6 | -170.4 | -65.8 | -18.6 | 0 | 0 | 0 | 112.9 | K997 F1000 S1001 R1018 | K997-D1016 IonicContact NZ-OD2 2.69Å; K997-D1016 PolarHBondContact NZ-OD2 2.81Å; F1000-D1016 WeakPolarHBondContact CA-OD1 3.4Å; S1001-D1016 PolarHBondContact N-OD1 3.37Å; S1001-D1016 PolarHBondContact O-N 3.44Å; S1001-D1016 WeakPolarHBondContact OG-CA 3.01Å; S1001-D1016 PolarHBondContact OG-OD1 2.9Å; D1016-R1018 PolarHBondContact O-N 3.12Å |
| 1017 | D | 70.2 | Confident | 68.4 | Low | 111 Ų | 111 | 57.5 Ų | 57.5 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 12.2 | -174.1 | -69 | -52.9 | 0 | 0 | 0 | 115.5 | R1003 L1015 | R1003-D1017 IonicContact NH1-OD1 3.37Å; L1015-D1017 VanDerWaalsContact C-N 3.3Å; L1015-D1017 PolarHBondContact O-N 3.47Å |
| 1018 | R | 70.1 | Confident | 68.4 | Low | 168 Ų | 168 | 57.4 Ų | 57.4 | 63% | 0.634 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.2 | 170.4 | -61.6 | 179.4 | 174.3 | -162.6 | -1.1 | 110.6 | I992 Y1014 L1015 D1016 V1020 | I992-R1018 HydrophobicContact CD1-CB 4Å; I992-R1018 HydrophobicContact CD1-CG 4.44Å; Y1014-R1018 CarbonylContact C-O 3.53Å; Y1014-R1018 WeakPolarHBondContact CA-O 3.11Å; L1015-R1018 PolarHBondContact N-O 2.62Å; L1015-R1018 WeakPolarHBondContact O-CB 3.26Å; L1015-R1018 PolarHBondContact O-N 3.06Å; D1016-R1018 PolarHBondContact O-N 3.12Å; R1018-V1020 PolarHBondContact O-N 3.19Å |
| 1019 | K | 76 | Confident | 68.3 | Low | 112 Ų | 112 | 54.7 Ų | 54.7 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 128.9 | 170.7 | 176.1 | 174.6 | 172.2 | 166.2 | 0 | 110.5 | E1012 Y1014 T1021 | E1012-K1019 HydrophobicContact CG-CD 4.38Å; E1012-K1019 HydrophobicContact CG-CG 4.39Å; E1012-K1019 WeakPolarHBondContact OE1-CD 3.25Å; E1012-K1019 WeakPolarHBondContact OE1-CE 3.1Å; E1012-K1019 IonicContact OE1-NZ 2.66Å; E1012-K1019 PolarHBondContact OE1-NZ 2.96Å; Y1014-K1019 HydrophobicContact CD1-CB 4.03Å; Y1014-K1019 VanDerWaalsContact CD1-N 3.34Å; Y1014-K1019 HydrophobicContact CE1-CB 3.72Å; K1019-T1021 WeakPolarHBondContact CE-O 3.38Å; K1019-T1021 WeakPolarHBondContact CG-O 2.89Å |
| 1020 | V | 68.1 | Low | 68.2 | Low | 27 Ų | 27 | 53.4 Ų | 53.4 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | trans | -121.1 | -12.1 | 178.6 | -72.4 | 0 | 0 | 0 | 0 | 114.2 | F988 I992 F1013 L1015 R1018 | F988-V1020 HydrophobicContact CE2-CB 4.29Å; F988-V1020 HydrophobicContact CE2-CG2 4.27Å; I992-V1020 HydrophobicContact CD1-CG1 4.18Å; F1013-V1020 HydrophobicContact CB-CG2 4.26Å; F1013-V1020 WeakPolarHBondContact O-CG2 3.4Å; F1013-V1020 PolarHBondContact O-N 2.92Å; L1015-V1020 HydrophobicContact CB-CG1 4.22Å; L1015-V1020 HydrophobicContact CB-CG2 4.44Å; L1015-V1020 HydrophobicContact CD1-CG1 4.25Å; L1015-V1020 HydrophobicContact CD1-CG2 4.09Å; L1015-V1020 HydrophobicContact CG-CG2 4.09Å; R1018-V1020 PolarHBondContact O-N 3.19Å | ||
| 1021 | T | 65.5 | Low | 67.6 | Low | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -124.8 | 162.5 | 177.1 | 66.5 | 0 | 0 | 0 | 0 | 113 | F988 F1013 K1019 Y1024 | F988-T1021 HydrophobicContact CD1-CG2 3.89Å; F988-T1021 HydrophobicContact CD2-CG2 4.18Å; F988-T1021 HydrophobicContact CE1-CG2 3.41Å; F988-T1021 VanDerWaalsContact CE1-CG2 3.41Å; F988-T1021 HydrophobicContact CE2-CG2 3.74Å; F988-T1021 HydrophobicContact CG-CG2 4.25Å; F988-T1021 HydrophobicContact CZ-CG2 3.33Å; F1013-T1021 HydrophobicContact CB-CG2 3.94Å; F1013-T1021 HydrophobicContact CD2-CG2 3.9Å; F1013-T1021 HydrophobicContact CG-CG2 4.36Å; F1013-T1021 PolarHBondContact N-OG1 3.33Å; K1019-T1021 WeakPolarHBondContact CE-O 3.38Å; K1019-T1021 WeakPolarHBondContact CG-O 2.89Å; T1021-Y1024 HydrophobicContact CG2-CE2 3.86Å |
| 1022 | P | 63.4 | Low | 66.9 | Low | 77 Ų | 77 | 59.4 Ų | 59.4 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | trans | -62 | -180 | 152.1 | -18.1 | 33.1 | 0 | 0 | 0 | 112.3 | ||||
| 1023 | W | 64.4 | Low | 66.1 | Low | 114 Ų | 114 | 64 Ų | 64 | 43% | 0.432 | 32% | 0.321 | S | S | . | . | trans | -75.5 | 123.3 | 162.2 | -71.8 | 93.1 | 0 | 0 | 0 | 109.6 | V1005 E1012 | V1005-W1023 HydrophobicContact CG1-CH2 4.15Å; V1005-W1023 WeakPolarHBondContact O-CZ3 3.46Å; E1012-W1023 HydrophobicContact CB-CD2 3.79Å; E1012-W1023 HydrophobicContact CB-CE3 3.75Å; E1012-W1023 HydrophobicContact CB-CG 4.41Å; E1012-W1023 HydrophobicContact CB-CH2 4.01Å; E1012-W1023 HydrophobicContact CB-CZ2 4.04Å; E1012-W1023 HydrophobicContact CB-CZ3 3.85Å; E1012-W1023 HydrophobicContact CG-CD2 4.45Å; E1012-W1023 PolarHBondContact OE1-NE1 2.73Å | ||
| 1024 | Y | 65.7 | Low | 65.7 | Low | 43 Ų | 43 | 65.5 Ų | 65.5 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.8 | 172 | -68.2 | -67.9 | 0 | 0 | 0 | 110.8 | Y974 S1010 V1011 T1021 M1026 | Y974-Y1024 HydrophobicContact CD1-CD1 4.29Å; Y974-Y1024 HydrophobicContact CD1-CD2 4.13Å; Y974-Y1024 AromaticContact CD1-CG 3.91Å; Y974-Y1024 HydrophobicContact CD1-CG 3.91Å; Y974-Y1024 HydrophobicContact CE1-CG 4.08Å; S1010-Y1024 CarbonylContact C-O 3.53Å; S1010-Y1024 WeakPolarHBondContact CA-O 3.32Å; S1010-Y1024 WeakPolarHBondContact CB-O 3.47Å; V1011-Y1024 PolarHBondContact N-O 3.35Å; V1011-Y1024 PolarHBondContact O-N 3.32Å; T1021-Y1024 HydrophobicContact CG2-CE2 3.86Å; Y1024-M1026 PolarHBondContact O-N 3.41Å |
| 1025 | S | 63.2 | Low | 65.5 | Low | 91 Ų | 91 | 65.6 Ų | 65.6 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 127.3 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | D1009 | D1009-S1025 WeakPolarHBondContact O-CA 3.3Å |
| 1026 | M | 63.3 | Low | 65.4 | Low | 17 Ų | 17 | 66 Ų | 66 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 127.8 | -179 | -179.6 | 174.7 | 69.6 | 0 | 0 | 109.7 | M955 M1006 D1009 V1011 Y1024 | M955-M1026 HydrophobicContact CE-CE 3.91Å; M955-M1026 HydrophobicContact CE-CG 3.99Å; M955-M1026 HydrophobicContact CE-SD 3.62Å; M955-M1026 HydrophobicContact SD-SD 4.42Å; M1006-M1026 HydrophobicContact CB-CE 4.04Å; M1006-M1026 HydrophobicContact CB-SD 4.41Å; M1006-M1026 HydrophobicContact CG-CE 3.93Å; M1006-M1026 HydrophobicContact CG-SD 3.66Å; M1006-M1026 HydrophobicContact SD-CE 3.95Å; M1006-M1026 HydrophobicContact SD-SD 3.62Å; M1006-M1026 VanDerWaalsContact SD-SD 3.62Å; D1009-M1026 PolarHBondContact O-N 3.03Å; V1011-M1026 HydrophobicContact CB-CB 4.47Å; V1011-M1026 HydrophobicContact CB-SD 4.43Å; V1011-M1026 HydrophobicContact CG1-CB 4.45Å; Y1024-M1026 PolarHBondContact O-N 3.41Å |
| 1027 | P | 58 | Low | 65.7 | Low | 26 Ų | 26 | 64 Ų | 64 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -78.9 | 136.2 | 167.9 | 34.1 | -33.4 | 0 | 0 | 0 | 109.5 | M955 N959 T976 | M955-P1027 WeakPolarHBondContact CE-O 3.14Å; M955-P1027 WeakPolarHBondContact CG-O 3.25Å; N959-P1027 HydrophobicContact CB-CB 3.75Å; N959-P1027 HydrophobicContact CB-CG 4.06Å; T976-P1027 HydrophobicContact CG2-CG 4.02Å |
| 1028 | G | 60.3 | Low | 66 | Low | 19 Ų | 19 | 59.4 Ų | 59.4 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 85.9 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | M955 D957 | M955-G1028 VanDerWaalsContact CE-C 3.48Å; M955-G1028 WeakPolarHBondContact CE-O 3.44Å; D957-G1028 VanDerWaalsContact CG-CA 3.49Å; D957-G1028 WeakPolarHBondContact OD2-CA 3.49Å; D957-G1028 PolarHBondContact OD2-N 3.15Å |
| 1029 | S | 59.1 | Low | 66.5 | Low | 64 Ų | 64 | 53.4 Ų | 53.4 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -114 | -13.9 | -165.9 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | K934 N956 | K934-S1029 PolarHBondContact NZ-O 2.61Å; N956-S1029 PolarHBondContact ND2-OG 2.74Å; N956-S1029 PolarHBondContact OD1-N 3.2Å; N956-S1029 VanDerWaalsContact OD1-N 3.15Å; N956-S1029 PolarHBondContact OD1-OG 2.8Å |
| 1030 | F | 58 | Low | 66.2 | Low | 93 Ų | 93 | 48.6 Ų | 48.6 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -156.4 | 146.7 | 163.9 | 45 | -79.7 | 0 | 0 | 0 | 112.7 | K934 M955 N956 K1032 | K934-F1030 HydrophobicContact CD-CB 4.46Å; M955-F1030 WeakPolarHBondContact CA-O 3.3Å; N956-F1030 HydrophobicContact CB-CD1 4.18Å; N956-F1030 HydrophobicContact CB-CD2 3.55Å; N956-F1030 HydrophobicContact CB-CE1 4.04Å; N956-F1030 HydrophobicContact CB-CE2 3.38Å; N956-F1030 HydrophobicContact CB-CG 3.95Å; N956-F1030 HydrophobicContact CB-CZ 3.65Å; N956-F1030 PolarHBondContact N-O 2.82Å; N956-F1030 VanDerWaalsContact ND2-CE1 3.28Å; N956-F1030 WeakPolarHBondContact ND2-CE1 3.38Å; N956-F1030 PolarHBondContact OD1-N 2.84Å; N956-F1030 PolarHBondContact OD1-O 3.21Å; N956-F1030 VanDerWaalsContact OD1-O 3.05Å; F1030-K1032 PolarHBondContact O-N 2.85Å |
| 1031 | A | 58.6 | Low | 66 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I936 V953 M955 V1034 | I936-A1031 HydrophobicContact CD1-CB 3.96Å; V953-A1031 HydrophobicContact CG1-CB 3.54Å; M955-A1031 HydrophobicContact SD-CB 4.2Å; A1031-V1034 HydrophobicContact CB-CG2 4.45Å |
| 1032 | K | 58.8 | Low | 65.2 | Low | 136 Ų | 136 | 56.1 Ų | 56.1 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -33.3 | 175.2 | 178.7 | 178.9 | 177.9 | 178.8 | 0 | 111.5 | S954 F1030 | S954-K1032 WeakPolarHBondContact O-CA 3.48Å; S954-K1032 WeakPolarHBondContact O-CB 3.4Å; S954-K1032 PolarHBondContact O-N 3.35Å; F1030-K1032 PolarHBondContact O-N 2.85Å |
| 1033 | H | 60 | Low | 64.7 | Low | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 148.7 | 178.5 | -174.5 | 78.4 | 0 | 0 | 0 | 110.6 | V953 S954 | V953-H1033 WeakPolarHBondContact CA-O 3.42Å; S954-H1033 PolarHBondContact N-O 2.79Å; S954-H1033 PolarHBondContact O-N 2.97Å |
| 1034 | V | 68.7 | Low | 63.8 | Low | 31 Ų | 31 | 58 Ų | 58 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.5 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | I936 M951 V953 A1031 V1045 V1047 | I936-V1034 HydrophobicContact CD1-CG2 3.97Å; I936-V1034 HydrophobicContact CG1-CG2 4.41Å; I936-V1034 HydrophobicContact CG2-CG1 4.26Å; I936-V1034 HydrophobicContact CG2-CG2 4.27Å; M951-V1034 HydrophobicContact CE-CG1 3.96Å; V953-V1034 HydrophobicContact CG1-CG2 4.31Å; V953-V1034 HydrophobicContact CG2-CG1 4.26Å; V953-V1034 HydrophobicContact CG2-CG2 4.17Å; A1031-V1034 HydrophobicContact CB-CG2 4.45Å; V1034-V1045 HydrophobicContact CG1-CG1 4.21Å; V1034-V1047 HydrophobicContact CG2-CG2 4.29Å |
| 1035 | E | 73.4 | Confident | 63.1 | Low | 59 Ų | 59 | 59 Ų | 59 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139 | 179.5 | -169.6 | -168.9 | 152.9 | 0 | 0 | 109 | M951 K952 | M951-E1035 WeakPolarHBondContact CA-O 3.27Å; K952-E1035 HydrophobicContact CB-CB 4.23Å; K952-E1035 VanDerWaalsContact CD-OE2 3.31Å; K952-E1035 WeakPolarHBondContact CD-OE2 3.29Å; K952-E1035 VanDerWaalsContact CE-OE2 3.3Å; K952-E1035 WeakPolarHBondContact CE-OE2 3.33Å; K952-E1035 PolarHBondContact N-O 2.87Å; K952-E1035 IonicContact NZ-OE2 3.1Å; K952-E1035 PolarHBondContact NZ-OE2 2.63Å; K952-E1035 PolarHBondContact O-N 2.74Å |
| 1036 | L | 76.9 | Confident | 62.3 | Low | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.2 | 172.7 | -61.6 | 178.7 | 0 | 0 | 0 | 108.4 | A938 V940 F949 H950 M951 R1043 V1045 | A938-L1036 HydrophobicContact CB-CD1 4.08Å; V940-L1036 HydrophobicContact CG2-CD1 4.2Å; F949-L1036 HydrophobicContact CE2-CD2 4.24Å; F949-L1036 HydrophobicContact CZ-CD2 3.97Å; H950-L1036 CarbonylContact O-C 3.5Å; H950-L1036 WeakPolarHBondContact O-CA 3.45Å; M951-L1036 HydrophobicContact CB-CD2 3.61Å; M951-L1036 HydrophobicContact CG-CD2 3.57Å; M951-L1036 HydrophobicContact SD-CD2 4.08Å; L1036-R1043 HydrophobicContact CB-CG 4.36Å; L1036-R1043 HydrophobicContact CD1-CB 4.42Å; L1036-R1043 HydrophobicContact CD1-CG 4.27Å; L1036-R1043 PolarHBondContact O-NE 3.36Å; L1036-R1043 PolarHBondContact O-NH1 3.02Å; L1036-V1045 HydrophobicContact CD1-CG2 3.6Å; L1036-V1045 HydrophobicContact CG-CG2 4.35Å |
| 1037 | S | 77.2 | Confident | 61.5 | Low | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -175.5 | -175 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | H950 | H950-S1037 WeakPolarHBondContact CB-OG 3.27Å; H950-S1037 PolarHBondContact N-O 2.88Å; H950-S1037 PolarHBondContact O-N 2.97Å |
| 1038 | G | 78.1 | Confident | 60.7 | Low | 14 Ų | 14 | 61.7 Ų | 61.7 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.9 | -162.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1040 | G1038-V1040 PolarHBondContact O-N 3.24Å |
| 1039 | D | 79.9 | Confident | 59.9 | Low | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -72.9 | 62.9 | -166.6 | -62.7 | -47.7 | 0 | 0 | 0 | 113.8 | L942 K943 A946 K947 R948 | L942-D1039 CarbonylContact C-O 3.52Å; L942-D1039 VanDerWaalsContact CA-O 3.29Å; L942-D1039 WeakPolarHBondContact CA-O 3.5Å; L942-D1039 WeakPolarHBondContact CD2-O 3.46Å; K943-D1039 HydrophobicContact CB-CB 4.46Å; K943-D1039 HydrophobicContact CD-CB 4.31Å; K943-D1039 PolarHBondContact N-O 2.8Å; A946-D1039 HydrophobicContact CB-CB 3.4Å; K947-D1039 PolarHBondContact N-OD2 2.97Å; R948-D1039 PolarHBondContact N-OD2 2.89Å; R948-D1039 PolarHBondContact O-N 3.38Å |
| 1040 | V | 69.8 | Low | 58.4 | Low | 11 Ų | 11 | 67.8 Ų | 67.8 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.6 | -170.4 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | V940 K941 L942 F949 G1038 K1042 R1043 | V940-V1040 HydrophobicContact CG1-CG1 3.75Å; V940-V1040 HydrophobicContact CG1-CG2 4.04Å; K941-V1040 CarbonylContact O-C 3.56Å; K941-V1040 WeakPolarHBondContact O-CA 3.34Å; K941-V1040 WeakPolarHBondContact O-CG1 3.33Å; L942-V1040 HydrophobicContact CD2-CG2 4.32Å; F949-V1040 HydrophobicContact CD2-CG2 3.75Å; F949-V1040 HydrophobicContact CE2-CG2 4.25Å; G1038-V1040 PolarHBondContact O-N 3.24Å; V1040-K1042 WeakPolarHBondContact CG1-O 3.43Å; V1040-R1043 HydrophobicContact CG1-CG 3.5Å; V1040-R1043 VanDerWaalsContact CG1-CG 3.5Å |
| 1041 | E | 64 | Low | 57 | Low | 64 Ų | 64 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -44.5 | 174 | -170.8 | -158.4 | 116.5 | 0 | 0 | 111.4 | K941 | K941-E1041 HydrophobicContact CD-CB 4.37Å; K941-E1041 WeakPolarHBondContact CE-OE2 3.36Å; K941-E1041 HydrophobicContact CG-CB 4.24Å; K941-E1041 VanDerWaalsContact NZ-CD 3.25Å; K941-E1041 IonicContact NZ-OE1 3.21Å; K941-E1041 PolarHBondContact NZ-OE1 3.19Å; K941-E1041 IonicContact NZ-OE2 3.4Å; K941-E1041 PolarHBondContact NZ-OE2 2.81Å; K941-E1041 PolarHBondContact O-N 2.77Å |
| 1042 | K | 47.6 | Very low | 55.6 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.5 | -176.8 | -66.7 | -174.9 | 178.2 | 122.3 | 0 | 113.2 | K941 V1040 | K941-K1042 HydrophobicContact CB-CB 4.16Å; K941-K1042 PolarHBondContact N-O 2.97Å; K941-K1042 PolarHBondContact O-N 3.38Å; V1040-K1042 WeakPolarHBondContact CG1-O 3.43Å |
| 1043 | R | 52.9 | Low | 54 | Low | 122 Ų | 122 | 71.6 Ų | 71.6 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.9 | -176.8 | -60.7 | 159.9 | -168.5 | 163 | 9.3 | 108.4 | L1036 V1040 | L1036-R1043 HydrophobicContact CB-CG 4.36Å; L1036-R1043 HydrophobicContact CD1-CB 4.42Å; L1036-R1043 HydrophobicContact CD1-CG 4.27Å; L1036-R1043 PolarHBondContact O-NE 3.36Å; L1036-R1043 PolarHBondContact O-NH1 3.02Å; V1040-R1043 HydrophobicContact CG1-CG 3.5Å; V1040-R1043 VanDerWaalsContact CG1-CG 3.5Å |
| 1044 | L | 46.7 | Very low | 52.4 | Low | 108 Ų | 108 | 68 Ų | 68 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 106.7 | 164.5 | -168.1 | 101.7 | 0 | 0 | 0 | 108.2 | A938 I939 | A938-L1044 CarbonylContact C-O 3.14Å; A938-L1044 VanDerWaalsContact CA-O 3.31Å; A938-L1044 WeakPolarHBondContact CA-O 3.49Å; I939-L1044 HydrophobicContact CB-CB 4.42Å; I939-L1044 PolarHBondContact N-O 3.43Å; I939-L1044 PolarHBondContact O-N 2.88Å |
| 1045 | V | 50.4 | Low | 50.4 | Low | 64 Ų | 64 | 74.5 Ų | 74.5 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 110 | I936 A938 V1034 L1036 | I936-V1045 HydrophobicContact CG2-CG1 4.47Å; A938-V1045 HydrophobicContact CB-CG2 4.17Å; V1034-V1045 HydrophobicContact CG1-CG1 4.21Å; L1036-V1045 HydrophobicContact CD1-CG2 3.6Å; L1036-V1045 HydrophobicContact CG-CG2 4.35Å |
| 1046 | S | 47.2 | Very low | 48 | Very low | 64 Ų | 64 | 74.9 Ų | 74.9 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 113.1 | 172.6 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | S937 | S937-S1046 PolarHBondContact N-O 3.15Å; S937-S1046 CarbonylContact O-C 3.55Å; S937-S1046 PolarHBondContact O-N 3.37Å; S937-S1046 PolarHBondContact O-OG 2.63Å |
| 1047 | V | 46.1 | Very low | 45.5 | Very low | 41 Ų | 41 | 81.2 Ų | 81.2 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.2 | 170 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | I936 V1034 N1049 L1050 | I936-V1047 HydrophobicContact CG1-CG1 4.2Å; I936-V1047 HydrophobicContact CG1-CG2 4.24Å; I936-V1047 HydrophobicContact CG2-CG2 4.39Å; V1034-V1047 HydrophobicContact CG2-CG2 4.29Å; V1047-N1049 PolarHBondContact O-N 3.07Å; V1047-L1050 HydrophobicContact CB-CD1 3.91Å; V1047-L1050 HydrophobicContact CB-CG 4.12Å; V1047-L1050 HydrophobicContact CG2-CD1 4.23Å; V1047-L1050 PolarHBondContact O-N 3.35Å |
| 1048 | E | 41.4 | Very low | 42.9 | Very low | 86 Ų | 86 | 88.7 Ų | 88.7 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 127.4 | 177 | -70.4 | 177.8 | -168.5 | 0 | 0 | 109.9 | A935 R1003 | A935-E1048 PolarHBondContact O-N 3.19Å; R1003-E1048 IonicContact CZ-OE1 2.64Å; R1003-E1048 IonicContact NH2-OE1 3.5Å; R1003-E1048 PolarHBondContact NH2-OE1 3Å |
| 1049 | N | 42.5 | Very low | 40.3 | Very low | 133 Ų | 133 | 94.6 Ų | 94.6 | 71% | 0.711 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 25.1 | -174.6 | -44.2 | -79.3 | 0 | 0 | 0 | 117.4 | V1047 | V1047-N1049 PolarHBondContact O-N 3.07Š|
| 1050 | L | 28.8 | Very low | 37.6 | Very low | 78 Ų | 78 | 97.6 Ų | 97.6 | 41% | 0.408 | 53% | 0.529 | S | S | . | . | trans | -68.5 | 135.5 | 157.1 | -91.9 | 171 | 0 | 0 | 0 | 111.2 | I923 V1047 A1054 | I923-L1050 HydrophobicContact CD1-CD2 3.79Å; V1047-L1050 HydrophobicContact CB-CD1 3.91Å; V1047-L1050 HydrophobicContact CB-CG 4.12Å; V1047-L1050 HydrophobicContact CG2-CD1 4.23Å; V1047-L1050 PolarHBondContact O-N 3.35Å; L1050-A1054 HydrophobicContact CD2-CB 4.25Å | ||
| 1051 | P | 29.1 | Very low | 35.4 | Very low | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | trans | -59.2 | 151.2 | 166.2 | -23.9 | 35.1 | 0 | 0 | 0 | 112.3 | T1053 A1054 | P1051-T1053 PolarHBondContact O-N 3.4Å; P1051-A1054 PolarHBondContact O-N 2.92Å | ||
| 1052 | S | 27.2 | Very low | 33.5 | Very low | 115 Ų | 115 | 110 Ų | 110 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -68.2 | -4.2 | -167.9 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1053 | T | 26.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 110.6 Ų | 110.6 | 82% | 0.822 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -82.4 | -14.6 | 179.8 | 44 | 0 | 0 | 0 | 0 | 114.3 | P1051 | P1051-T1053 PolarHBondContact O-N 3.4Š|
| 1054 | A | 27 | Very low | 31.7 | Very low | 32 Ų | 32 | 108 Ų | 108 | 26% | 0.264 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -92.2 | 10 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1050 P1051 S1056 | L1050-A1054 HydrophobicContact CD2-CB 4.25Å; P1051-A1054 PolarHBondContact O-N 2.92Å; A1054-S1056 PolarHBondContact O-N 2.91Å |
| 1055 | Q | 25.6 | Very low | 31.1 | Very low | 167 Ų | 167 | 108.7 Ų | 108.7 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | trans | -97.8 | 66.4 | -179.3 | -68.7 | -169.2 | -6.9 | 0 | 0 | 113.2 | ||||
| 1056 | S | 24.5 | Very low | 30.2 | Very low | 67 Ų | 67 | 110.8 Ų | 110.8 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | trans | -88.9 | 132.8 | 161.5 | 47 | 0 | 0 | 0 | 0 | 110.3 | A1054 | A1054-S1056 PolarHBondContact O-N 2.91Š| ||
| 1057 | N | 23.8 | Very low | 29.7 | Very low | 142 Ų | 142 | 111 Ų | 111 | 76% | 0.759 | 59% | 0.587 | S | S | * | * | trans | -107.6 | 42.7 | -178.9 | -76.1 | -67.3 | 0 | 0 | 0 | 111.6 | ||||
| 1058 | E | 22.2 | Very low | 29.2 | Very low | 170 Ų | 170 | 114.1 Ų | 114.1 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -90.9 | 115.4 | 173.7 | -72.8 | -174.6 | 142.2 | 0 | 0 | 109.6 | V1060 | E1058-V1060 PolarHBondContact O-N 2.85Š| ||
| 1059 | I | 23.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | trans | -91 | 98.4 | -174.9 | -59.9 | 168.7 | 0 | 0 | 0 | 107.5 | ||||
| 1060 | V | 23.3 | Very low | 28.6 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | trans | -80.7 | 135 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | E1058 | E1058-V1060 PolarHBondContact O-N 2.85Š| ||
| 1061 | W | 22.6 | Very low | 29 | Very low | 207 Ų | 207 | 112 Ų | 112 | 78% | 0.784 | 59% | 0.587 | S | S | * | * | trans | -95.5 | 133.5 | 172.2 | -59 | 77.7 | 0 | 0 | 0 | 107.8 | ||||
| 1062 | H | 24.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 115.4 Ų | 115.4 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | trans | -112.5 | 128.7 | 164.4 | -69.7 | -85.5 | 0 | 0 | 0 | 107.1 | ||||
| 1063 | D | 29.1 | Very low | 29.7 | Very low | 137 Ų | 137 | 117.1 Ų | 117.1 | 73% | 0.733 | 58% | 0.578 | S | S | * | * | trans | -70.8 | 138.2 | 167.6 | -73.8 | -46.5 | 0 | 0 | 0 | 109.2 | D1065 E1066 | D1063-D1065 PolarHBondContact O-N 2.86Å; D1063-E1066 PolarHBondContact O-N 2.87Å | ||
| 1064 | D | 32.6 | Very low | 30.3 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 35% | 0.353 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -19.3 | -171.5 | -64.4 | -69.1 | 0 | 0 | 0 | 112.9 | K943 E1066 I1067 E1068 | K943-D1064 IonicContact NZ-OD1 3.9Å; K943-D1064 IonicContact NZ-OD2 2.72Å; K943-D1064 PolarHBondContact NZ-OD2 2.91Å; D1064-E1066 VanDerWaalsContact C-N 3.31Å; D1064-E1066 PolarHBondContact O-N 2.81Å; D1064-I1067 WeakPolarHBondContact O-CB 3.48Å; D1064-I1067 PolarHBondContact O-N 2.85Å; D1064-E1068 PolarHBondContact O-N 2.63Å |
| 1065 | D | 33.9 | Very low | 30.7 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 66% | 0.663 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.8 | -37.3 | 174.7 | -73.3 | 7 | 0 | 0 | 0 | 113 | D1063 I1067 E1068 I1069 | D1063-D1065 PolarHBondContact O-N 2.86Å; D1065-I1067 PolarHBondContact O-N 2.8Å; D1065-E1068 PolarHBondContact O-N 3.06Å; D1065-I1069 WeakPolarHBondContact O-CB 3.36Å; D1065-I1069 VanDerWaalsContact O-CG1 3.27Å; D1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; D1065-I1069 PolarHBondContact O-N 2.77Å |
| 1066 | E | 32 | Very low | 31.2 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -22.9 | 175.6 | -88 | -146.2 | 133.3 | 0 | 0 | 112.2 | D1063 D1064 N1070 | D1063-E1066 PolarHBondContact O-N 2.87Å; D1064-E1066 VanDerWaalsContact C-N 3.31Å; D1064-E1066 PolarHBondContact O-N 2.81Å; E1066-N1070 WeakPolarHBondContact O-CB 3.21Å; E1066-N1070 PolarHBondContact O-N 2.72Å; E1066-N1070 PolarHBondContact O-ND2 3.29Å |
| 1067 | I | 36.9 | Very low | 31.4 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 35% | 0.354 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -78.5 | -39.6 | 175.1 | -60.1 | -179.7 | 0 | 0 | 0 | 110.4 | D1064 D1065 N1070 E1071 | D1064-I1067 WeakPolarHBondContact O-CB 3.48Å; D1064-I1067 PolarHBondContact O-N 2.85Å; D1065-I1067 PolarHBondContact O-N 2.8Å; I1067-N1070 PolarHBondContact O-N 2.93Å; I1067-E1071 HydrophobicContact CG2-CG 4.47Å; I1067-E1071 PolarHBondContact O-N 2.69Å |
| 1068 | E | 35.3 | Very low | 31.8 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.1 | -37.4 | 172.6 | -152.8 | -160.9 | 157.2 | 0 | 0 | 111.5 | D1064 D1065 N1070 R1072 | D1064-E1068 PolarHBondContact O-N 2.63Å; D1065-E1068 PolarHBondContact O-N 3.06Å; E1068-N1070 VanDerWaalsContact C-N 3.33Å; E1068-N1070 PolarHBondContact O-N 2.98Å; E1068-R1072 VanDerWaalsContact O-CB 3.27Å; E1068-R1072 WeakPolarHBondContact O-CB 3.45Å; E1068-R1072 VanDerWaalsContact O-CG 3.27Å; E1068-R1072 WeakPolarHBondContact O-CG 3.27Å; E1068-R1072 PolarHBondContact O-N 2.82Å; E1068-R1072 IonicContact OE1-CZ 3.65Å; E1068-R1072 IonicContact OE1-NE 3.7Å; E1068-R1072 PolarHBondContact OE1-NE 2.89Å; E1068-R1072 IonicContact OE1-NH2 2.81Å; E1068-R1072 PolarHBondContact OE1-NH2 2.93Å |
| 1069 | I | 36.6 | Very low | 32.3 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 172.9 | -70 | 168.6 | 0 | 0 | 0 | 111.1 | D1065 R1073 | D1065-I1069 WeakPolarHBondContact O-CB 3.36Å; D1065-I1069 VanDerWaalsContact O-CG1 3.27Å; D1065-I1069 WeakPolarHBondContact O-CG1 3.38Å; D1065-I1069 PolarHBondContact O-N 2.77Å; I1069-R1073 VanDerWaalsContact O-CB 3.27Å; I1069-R1073 WeakPolarHBondContact O-CB 3.27Å; I1069-R1073 PolarHBondContact O-N 2.82Å |
| 1070 | N | 35 | Very low | 32.8 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.8 | -32.4 | 178.9 | -73.2 | -41.3 | 0 | 0 | 0 | 113.8 | E1066 I1067 E1068 R1073 E1074 | E1066-N1070 WeakPolarHBondContact O-CB 3.21Å; E1066-N1070 PolarHBondContact O-N 2.72Å; E1066-N1070 PolarHBondContact O-ND2 3.29Å; I1067-N1070 PolarHBondContact O-N 2.93Å; E1068-N1070 VanDerWaalsContact C-N 3.33Å; E1068-N1070 PolarHBondContact O-N 2.98Å; N1070-R1073 CarbonylContact O-C 3.56Å; N1070-R1073 PolarHBondContact O-N 3.35Å; N1070-E1074 WeakPolarHBondContact O-CB 3.45Å; N1070-E1074 WeakPolarHBondContact O-CG 3.35Å; N1070-E1074 PolarHBondContact O-N 2.66Å |
| 1071 | E | 38.4 | Very low | 33.1 | Very low | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | 168.4 | -74.9 | -162.3 | 146.1 | 0 | 0 | 110.9 | I1067 R1073 E1074 E1075 | I1067-E1071 HydrophobicContact CG2-CG 4.47Å; I1067-E1071 PolarHBondContact O-N 2.69Å; E1071-R1073 VanDerWaalsContact C-N 3.34Å; E1071-E1074 PolarHBondContact O-N 3.43Å; E1071-E1075 PolarHBondContact O-N 2.79Å |
| 1072 | R | 37.2 | Very low | 33.5 | Very low | 156 Ų | 156 | 107 Ų | 107 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -34.3 | 170.1 | -72.8 | -177.6 | -173.2 | -159.2 | 7.8 | 112.3 | E1068 L1076 | E1068-R1072 VanDerWaalsContact O-CB 3.27Å; E1068-R1072 WeakPolarHBondContact O-CB 3.45Å; E1068-R1072 VanDerWaalsContact O-CG 3.27Å; E1068-R1072 WeakPolarHBondContact O-CG 3.27Å; E1068-R1072 PolarHBondContact O-N 2.82Å; E1068-R1072 IonicContact OE1-CZ 3.65Å; E1068-R1072 IonicContact OE1-NE 3.7Å; E1068-R1072 PolarHBondContact OE1-NE 2.89Å; E1068-R1072 IonicContact OE1-NH2 2.81Å; E1068-R1072 PolarHBondContact OE1-NH2 2.93Å; R1072-L1076 VanDerWaalsContact O-CB 3.3Å; R1072-L1076 WeakPolarHBondContact O-CB 3.38Å; R1072-L1076 WeakPolarHBondContact O-CG 3.12Å; R1072-L1076 PolarHBondContact O-N 3.31Å |
| 1073 | R | 33.1 | Very low | 33.8 | Very low | 151 Ų | 151 | 106.1 Ų | 106.1 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.2 | -34.1 | 171.2 | -95.6 | 178.1 | 163.8 | 171 | -3.3 | 112.4 | I1069 N1070 E1071 L1076 M1077 | I1069-R1073 VanDerWaalsContact O-CB 3.27Å; I1069-R1073 WeakPolarHBondContact O-CB 3.27Å; I1069-R1073 PolarHBondContact O-N 2.82Å; N1070-R1073 CarbonylContact O-C 3.56Å; N1070-R1073 PolarHBondContact O-N 3.35Å; E1071-R1073 VanDerWaalsContact C-N 3.34Å; R1073-L1076 PolarHBondContact O-N 2.83Å; R1073-M1077 WeakPolarHBondContact O-CA 3.03Å; R1073-M1077 WeakPolarHBondContact O-CB 2.94Å; R1073-M1077 WeakPolarHBondContact O-CG 3.44Å; R1073-M1077 PolarHBondContact O-N 2.93Å |
| 1074 | E | 38.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 105.6 Ų | 105.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.4 | -33.3 | 174.3 | -78.9 | -171.7 | -179.3 | 0 | 0 | 111 | N1070 E1071 S1078 | N1070-E1074 WeakPolarHBondContact O-CB 3.45Å; N1070-E1074 WeakPolarHBondContact O-CG 3.35Å; N1070-E1074 PolarHBondContact O-N 2.66Å; E1071-E1074 PolarHBondContact O-N 3.43Å; E1074-S1078 WeakPolarHBondContact O-CB 3.06Å; E1074-S1078 PolarHBondContact O-N 2.7Å; E1074-S1078 PolarHBondContact O-OG 3.48Å |
| 1075 | E | 34.9 | Very low | 33.4 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 165.7 | -86.7 | -137.5 | 131.6 | 0 | 0 | 112.2 | E1071 S1078 K1079 | E1071-E1075 PolarHBondContact O-N 2.79Å; E1075-S1078 PolarHBondContact O-N 2.89Å; E1075-K1079 VanDerWaalsContact CD-NZ 3.26Å; E1075-K1079 WeakPolarHBondContact O-CB 3.35Å; E1075-K1079 WeakPolarHBondContact O-CD 3.08Å; E1075-K1079 VanDerWaalsContact O-CG 3.25Å; E1075-K1079 WeakPolarHBondContact O-CG 3.13Å; E1075-K1079 PolarHBondContact O-N 2.92Å; E1075-K1079 IonicContact OE1-NZ 3.96Å; E1075-K1079 PolarHBondContact OE1-NZ 2.82Å; E1075-K1079 IonicContact OE2-NZ 3.9Å; E1075-K1079 PolarHBondContact OE2-NZ 2.9Å |
| 1076 | L | 35.6 | Very low | 33 | Very low | 108 Ų | 108 | 106.8 Ų | 106.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 178.6 | -84.5 | 161.4 | 0 | 0 | 0 | 111.5 | R1072 R1073 K1079 E1080 | R1072-L1076 VanDerWaalsContact O-CB 3.3Å; R1072-L1076 WeakPolarHBondContact O-CB 3.38Å; R1072-L1076 WeakPolarHBondContact O-CG 3.12Å; R1072-L1076 PolarHBondContact O-N 3.31Å; R1073-L1076 PolarHBondContact O-N 2.83Å; L1076-K1079 CarbonylContact O-C 3.55Å; L1076-K1079 PolarHBondContact O-N 2.87Å; L1076-E1080 WeakPolarHBondContact O-CB 3.14Å; L1076-E1080 PolarHBondContact O-N 3Å |
| 1077 | M | 29.3 | Very low | 32.8 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.8 | -32.2 | 177.3 | -71.2 | -82.6 | -70.7 | 0 | 0 | 111.3 | R1073 E1080 L1081 | R1073-M1077 WeakPolarHBondContact O-CA 3.03Å; R1073-M1077 WeakPolarHBondContact O-CB 2.94Å; R1073-M1077 WeakPolarHBondContact O-CG 3.44Å; R1073-M1077 PolarHBondContact O-N 2.93Å; M1077-E1080 PolarHBondContact O-N 2.76Å; M1077-L1081 WeakPolarHBondContact O-CA 3.48Å; M1077-L1081 WeakPolarHBondContact O-CB 3.41Å; M1077-L1081 WeakPolarHBondContact O-CD1 3.43Å; M1077-L1081 WeakPolarHBondContact O-CG 3.39Å; M1077-L1081 PolarHBondContact O-N 3.23Å |
| 1078 | S | 32.4 | Very low | 32.1 | Very low | 69 Ų | 69 | 110 Ų | 110 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 170.8 | -63 | 0 | 0 | 0 | 0 | 111 | E1074 E1075 Q1082 | E1074-S1078 WeakPolarHBondContact O-CB 3.06Å; E1074-S1078 PolarHBondContact O-N 2.7Å; E1074-S1078 PolarHBondContact O-OG 3.48Å; E1075-S1078 PolarHBondContact O-N 2.89Å; S1078-Q1082 WeakPolarHBondContact O-CB 3.42Å; S1078-Q1082 WeakPolarHBondContact O-CG 3.02Å; S1078-Q1082 PolarHBondContact O-N 2.86Å |
| 1079 | K | 33.1 | Very low | 31.5 | Very low | 105 Ų | 105 | 109.5 Ų | 109.5 | 46% | 0.457 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -36.8 | 174.7 | -70.6 | 160.1 | -171.1 | 158.9 | 0 | 111.9 | E1075 L1076 K1083 | E1075-K1079 VanDerWaalsContact CD-NZ 3.26Å; E1075-K1079 WeakPolarHBondContact O-CB 3.35Å; E1075-K1079 WeakPolarHBondContact O-CD 3.08Å; E1075-K1079 VanDerWaalsContact O-CG 3.25Å; E1075-K1079 WeakPolarHBondContact O-CG 3.13Å; E1075-K1079 PolarHBondContact O-N 2.92Å; E1075-K1079 IonicContact OE1-NZ 3.96Å; E1075-K1079 PolarHBondContact OE1-NZ 2.82Å; E1075-K1079 IonicContact OE2-NZ 3.9Å; E1075-K1079 PolarHBondContact OE2-NZ 2.9Å; L1076-K1079 CarbonylContact O-C 3.55Å; L1076-K1079 PolarHBondContact O-N 2.87Å; K1079-K1083 PolarHBondContact O-N 3.46Å |
| 1080 | E | 34 | Very low | 30.7 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -83.9 | -25.5 | 178.8 | -139.6 | 66.4 | -146.1 | 0 | 0 | 113.1 | L1076 M1077 K1083 Q1084 | L1076-E1080 WeakPolarHBondContact O-CB 3.14Å; L1076-E1080 PolarHBondContact O-N 3Å; M1077-E1080 PolarHBondContact O-N 2.76Å; E1080-K1083 WeakPolarHBondContact O-CB 3.32Å; E1080-K1083 PolarHBondContact O-N 3.35Å; E1080-K1083 WeakPolarHBondContact OE1-CD 3.18Å; E1080-K1083 IonicContact OE1-NZ 3.88Å; E1080-K1083 PolarHBondContact OE1-NZ 2.98Å; E1080-K1083 VanDerWaalsContact OE1-NZ 3.08Å; E1080-K1083 IonicContact OE2-NZ 3.47Å; E1080-K1083 PolarHBondContact OE2-NZ 3.12Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.46Å; E1080-Q1084 PolarHBondContact O-N 3.27Å |
| 1081 | L | 30.3 | Very low | 30.1 | Very low | 93 Ų | 93 | 120 Ų | 120 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.1 | -35.8 | 168.9 | -77 | 164.8 | 0 | 0 | 0 | 111.4 | M1077 K1083 Q1084 A1085 | M1077-L1081 WeakPolarHBondContact O-CA 3.48Å; M1077-L1081 WeakPolarHBondContact O-CB 3.41Å; M1077-L1081 WeakPolarHBondContact O-CD1 3.43Å; M1077-L1081 WeakPolarHBondContact O-CG 3.39Å; M1077-L1081 PolarHBondContact O-N 3.23Å; L1081-K1083 VanDerWaalsContact C-N 3.28Å; L1081-K1083 PolarHBondContact O-N 3.36Å; L1081-Q1084 PolarHBondContact O-N 3.29Å; L1081-A1085 VanDerWaalsContact O-CB 3.22Å; L1081-A1085 WeakPolarHBondContact O-CB 3.44Å; L1081-A1085 PolarHBondContact O-N 3.43Å |
| 1082 | Q | 30.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.1 | -41.7 | 167.1 | -81.2 | -173.2 | -33.8 | 0 | 0 | 110.9 | S1078 E1086 | S1078-Q1082 WeakPolarHBondContact O-CB 3.42Å; S1078-Q1082 WeakPolarHBondContact O-CG 3.02Å; S1078-Q1082 PolarHBondContact O-N 2.86Å; Q1082-E1086 PolarHBondContact O-N 3.11Å |
| 1083 | K | 31.8 | Very low | 28.4 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 48% | 0.483 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.2 | -45 | 170.6 | -80.8 | 174.8 | 172.1 | 175.4 | 0 | 114.2 | K1079 E1080 L1081 A1085 E1086 D1087 | K1079-K1083 PolarHBondContact O-N 3.46Å; E1080-K1083 WeakPolarHBondContact O-CB 3.32Å; E1080-K1083 PolarHBondContact O-N 3.35Å; E1080-K1083 WeakPolarHBondContact OE1-CD 3.18Å; E1080-K1083 IonicContact OE1-NZ 3.88Å; E1080-K1083 PolarHBondContact OE1-NZ 2.98Å; E1080-K1083 VanDerWaalsContact OE1-NZ 3.08Å; E1080-K1083 IonicContact OE2-NZ 3.47Å; E1080-K1083 PolarHBondContact OE2-NZ 3.12Å; L1081-K1083 VanDerWaalsContact C-N 3.28Å; L1081-K1083 PolarHBondContact O-N 3.36Å; K1083-A1085 VanDerWaalsContact C-N 3.31Å; K1083-A1085 PolarHBondContact O-N 2.81Å; K1083-E1086 WeakPolarHBondContact O-CB 3.4Å; K1083-E1086 PolarHBondContact O-N 3.06Å; K1083-E1086 VanDerWaalsContact O-N 3.11Å; K1083-D1087 PolarHBondContact O-N 3.39Å; K1083-D1087 VanDerWaalsContact O-N 3.12Å |
| 1084 | Q | 27.2 | Very low | 27.8 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 59% | 0.593 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.7 | -21.2 | -177.2 | -72.7 | -175.4 | 15.1 | 0 | 0 | 113.3 | E1080 L1081 E1086 S1088 | E1080-Q1084 WeakPolarHBondContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.46Å; E1080-Q1084 PolarHBondContact O-N 3.27Å; L1081-Q1084 PolarHBondContact O-N 3.29Å; Q1084-E1086 VanDerWaalsContact C-N 3.34Å; Q1084-S1088 WeakPolarHBondContact O-CB 3.07Å; Q1084-S1088 PolarHBondContact O-N 2.99Å; Q1084-S1088 PolarHBondContact O-OG 2.79Å |
| 1085 | A | 25.8 | Very low | 27.1 | Very low | 64 Ų | 64 | 123 Ų | 123 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.9 | -32.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1081 K1083 | L1081-A1085 VanDerWaalsContact O-CB 3.22Å; L1081-A1085 WeakPolarHBondContact O-CB 3.44Å; L1081-A1085 PolarHBondContact O-N 3.43Å; K1083-A1085 VanDerWaalsContact C-N 3.31Å; K1083-A1085 PolarHBondContact O-N 2.81Å |
| 1086 | E | 25.9 | Very low | 26.5 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.3 | -36.8 | 174.8 | -69.9 | -171.3 | 139.1 | 0 | 0 | 113.2 | Q1082 K1083 Q1084 | Q1082-E1086 PolarHBondContact O-N 3.11Å; K1083-E1086 WeakPolarHBondContact O-CB 3.4Å; K1083-E1086 PolarHBondContact O-N 3.06Å; K1083-E1086 VanDerWaalsContact O-N 3.11Å; Q1084-E1086 VanDerWaalsContact C-N 3.34Å |
| 1087 | D | 26.8 | Very low | 26 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.3 | -18.1 | -172 | -103.4 | -15.5 | 0 | 0 | 0 | 115.8 | K1083 | K1083-D1087 PolarHBondContact O-N 3.39Å; K1083-D1087 VanDerWaalsContact O-N 3.12Å |
| 1088 | S | 23.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -95.3 | -17.4 | -173.6 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | Q1084 | Q1084-S1088 WeakPolarHBondContact O-CB 3.07Å; Q1084-S1088 PolarHBondContact O-N 2.99Å; Q1084-S1088 PolarHBondContact O-OG 2.79Å |
| 1089 | S | 21.1 | Very low | 25.2 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -101 | 29.5 | -178.2 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1090 | R | 20.4 | Very low | 24.7 | Very low | 226 Ų | 226 | 121.9 Ų | 121.9 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -105.3 | 15.6 | -179 | -117.9 | 179.7 | -173.5 | -168.4 | 4.7 | 116.5 | ||||
| 1091 | I | 22.7 | Very low | 24.1 | Very low | 155 Ų | 155 | 125 Ų | 125 | 80% | 0.795 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -124.3 | 115.7 | 170.3 | -59.3 | -178.6 | 0 | 0 | 0 | 110.9 | ||
| 1092 | S | 20.5 | Very low | 23.8 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 69.7 | 139.5 | 172.2 | 82.3 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1093 | K | 20.2 | Very low | 23.4 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | cis | -156.7 | 145.5 | -27 | -126.7 | 166.9 | -172.5 | 177.4 | 0 | 108.7 | ||||
| 1094 | S | 20.1 | Very low | 23.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -57.2 | 134.1 | 176.8 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1095 | N | 22.4 | Very low | 22.7 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 93% | 0.93 | 73% | 0.726 | S | S | * | * | trans | -176.2 | 124.8 | 147.9 | -93.2 | -23.6 | 0 | 0 | 0 | 110.5 | ||||
| 1096 | G | 23.5 | Very low | 22.6 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | trans | 175 | 64.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1097 | V | 25.3 | Very low | 22.5 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | 52.3 | 110.2 | 144.6 | -169.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1098 | M | 23.4 | Very low | 22.2 | Very low | 145 Ų | 145 | 132 Ų | 132 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | 24 | 142.4 | 127.6 | -52.5 | -163.5 | -58.1 | 0 | 0 | 121.5 | Q1105 | M1098-Q1105 PolarHBondContact O-NE2 3.19Š| |||
| 1099 | S | 21.1 | Very low | 22.1 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 57% | 0.573 | 74% | 0.743 | S | S | * | * | cis | 77.1 | 133.9 | 35.7 | 85.4 | 0 | 0 | 0 | 0 | 116.9 | Q1105 | S1099-Q1105 VanDerWaalsContact C-CD 3.48Å; S1099-Q1105 VanDerWaalsContact N-NE2 3.11Å; S1099-Q1105 PolarHBondContact O-OE1 2.7Å | ||
| 1100 | G | 23.3 | Very low | 22.1 | Very low | 54 Ų | 54 | 142 Ų | 142 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | trans | 123.7 | 60.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | Q1105 | G1100-Q1105 VanDerWaalsContact N-CB 3.35Å; G1100-Q1105 VanDerWaalsContact N-OE1 3.12Å | ||
| 1101 | K | 21.4 | Very low | 22 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 178.1 | 130.3 | 151.4 | -109.4 | 169.7 | -175.2 | 178.7 | 0 | 112 | R1104 Q1105 | K1101-R1104 CarbonylContact C-O 3.52Å; K1101-R1104 WeakPolarHBondContact CA-O 3.45Å; K1101-R1104 VanDerWaalsContact CB-O 3.23Å; K1101-R1104 WeakPolarHBondContact CB-O 3.49Å; K1101-R1104 PolarHBondContact N-O 3.32Å; K1101-R1104 VanDerWaalsContact N-O 3.11Å; K1101-R1104 CarbonylContact O-C 3.51Å; K1101-R1104 VanDerWaalsContact O-CA 3.24Å; K1101-R1104 WeakPolarHBondContact O-CA 3.36Å; K1101-R1104 PolarHBondContact O-N 3.25Å; K1101-Q1105 CarbonylContact C-O 3.5Å; K1101-Q1105 WeakPolarHBondContact CA-O 3.22Å; K1101-Q1105 PolarHBondContact N-O 3.35Å; K1101-Q1105 CarbonylContact O-C 3.55Å; K1101-Q1105 VanDerWaalsContact O-C 3.3Å; K1101-Q1105 PolarHBondContact O-N 3.12Å | ||
| 1102 | N | 22.5 | Very low | 22 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 141.3 | 150.9 | -96.5 | -34 | 0 | 0 | 0 | 108 | ||
| 1103 | M | 22.4 | Very low | 21.9 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 98% | 0.975 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.5 | -23.3 | -145.3 | -54.3 | 179 | 180 | 0 | 0 | 116 | ||
| 1104 | R | 25.9 | Very low | 21.9 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -173.1 | 96 | 168.5 | -126.6 | -175.6 | -178.1 | -159.3 | 1.3 | 112.4 | K1101 | K1101-R1104 CarbonylContact C-O 3.52Å; K1101-R1104 WeakPolarHBondContact CA-O 3.45Å; K1101-R1104 VanDerWaalsContact CB-O 3.23Å; K1101-R1104 WeakPolarHBondContact CB-O 3.49Å; K1101-R1104 PolarHBondContact N-O 3.32Å; K1101-R1104 VanDerWaalsContact N-O 3.11Å; K1101-R1104 CarbonylContact O-C 3.51Å; K1101-R1104 VanDerWaalsContact O-CA 3.24Å; K1101-R1104 WeakPolarHBondContact O-CA 3.36Å; K1101-R1104 PolarHBondContact O-N 3.25Å |
| 1105 | Q | 18.8 | Very low | 21.9 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 48% | 0.477 | 75% | 0.745 | S | S | . | * | trans | 92.9 | 123 | -178.3 | -48.7 | 151.9 | -43 | 0 | 0 | 119.1 | M1098 S1099 G1100 K1101 | M1098-Q1105 PolarHBondContact O-NE2 3.19Å; S1099-Q1105 VanDerWaalsContact C-CD 3.48Å; S1099-Q1105 VanDerWaalsContact N-NE2 3.11Å; S1099-Q1105 PolarHBondContact O-OE1 2.7Å; G1100-Q1105 VanDerWaalsContact N-CB 3.35Å; G1100-Q1105 VanDerWaalsContact N-OE1 3.12Å; K1101-Q1105 CarbonylContact C-O 3.5Å; K1101-Q1105 WeakPolarHBondContact CA-O 3.22Å; K1101-Q1105 PolarHBondContact N-O 3.35Å; K1101-Q1105 CarbonylContact O-C 3.55Å; K1101-Q1105 VanDerWaalsContact O-C 3.3Å; K1101-Q1105 PolarHBondContact O-N 3.12Å | ||
| 1106 | A | 23 | Very low | 21.7 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | trans | -114.5 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1107 | F | 23.7 | Very low | 21.5 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | trans | -66.1 | 163.5 | 173.1 | -60 | -108 | 0 | 0 | 0 | 112.6 | ||||
| 1108 | G | 20.8 | Very low | 21.3 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | cis | 134.1 | 65.2 | -10.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1109 | M | 21.6 | Very low | 21.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | trans | -153.9 | 130.7 | 166.1 | -96.9 | -161.3 | -172 | 0 | 0 | 116.9 | ||||
| 1110 | R | 21.1 | Very low | 21.3 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | trans | 46.2 | 88.3 | 143.3 | -63 | -173.4 | 177.3 | -177.6 | -0.3 | 122.8 | ||||
| 1111 | N | 18.4 | Very low | 21.6 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -15.3 | 132.4 | 132.6 | -177.7 | 21.5 | 0 | 0 | 0 | 118.8 | ||||
| 1112 | V | 21.9 | Very low | 22.1 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | -144.5 | 153.6 | 156.3 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1113 | S | 19.1 | Very low | 22.7 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | trans | -92.8 | 145.5 | -165.8 | 56.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1114 | S | 19.7 | Very low | 23.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | 32.1 | 122.1 | 143.2 | 63.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1115 | V | 19.8 | Very low | 24 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 66% | 0.663 | S | S | * | * | trans | -179.6 | 141.9 | 132.5 | 136.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1116 | K | 18.9 | Very low | 25.2 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | trans | 71.6 | 140.2 | 161.4 | -86 | 164 | -172.7 | 171.7 | 0 | 122.1 | ||||
| 1117 | E | 20.4 | Very low | 26 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | trans | -85.1 | -151 | 158 | -35.1 | 114.5 | 135.7 | 0 | 0 | 110.6 | ||||
| 1118 | W | 19.7 | Very low | 27.2 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 49% | 0.489 | 63% | 0.632 | S | S | . | * | trans | 83.3 | 154.3 | 171.7 | -58.1 | 58.6 | 0 | 0 | 0 | 115.8 | E1145 | W1118-E1145 HydrophobicContact CD2-CB 4.37Å; W1118-E1145 HydrophobicContact CE3-CB 3.84Å; W1118-E1145 HydrophobicContact CE3-CG 4.16Å; W1118-E1145 VanDerWaalsContact CE3-O 3.29Å; W1118-E1145 HydrophobicContact CH2-CG 4.15Å; W1118-E1145 HydrophobicContact CZ3-CB 4.03Å; W1118-E1145 HydrophobicContact CZ3-CG 3.98Å | ||
| 1119 | L | 22.5 | Very low | 28.4 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | trans | 82 | 68.2 | 174 | -45 | -176.3 | 0 | 0 | 0 | 118.8 | E1145 T1146 K1147 | L1119-E1145 WeakPolarHBondContact CD2-O 3.47Å; L1119-T1146 HydrophobicContact CD2-CG2 3.86Å; L1119-K1147 HydrophobicContact CD2-CB 4.2Å; L1119-K1147 VanDerWaalsContact CD2-N 3.35Å | ||
| 1120 | L | 23.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 115 Ų | 115 | 80% | 0.801 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 131.4 | 141.5 | -86 | 168.7 | 0 | 0 | 0 | 109.2 | T1146 | L1120-T1146 VanDerWaalsContact O-CG2 3.24Å; L1120-T1146 WeakPolarHBondContact O-CG2 3.49Å; L1120-T1146 PolarHBondContact O-OG1 2.87Å |
| 1121 | P | 28.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 59% | 0.591 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.3 | 177.9 | -24.2 | 35.2 | 0 | 0 | 0 | 113.7 | T1123 | P1121-T1123 PolarHBondContact O-N 2.9Š|
| 1122 | P | 31.8 | Very low | 32.3 | Very low | 17 Ų | 17 | 109.4 Ų | 109.4 | 11% | 0.11 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -72.8 | 117.5 | 172.2 | 30.9 | -35.1 | 0 | 0 | 0 | 109.8 | F1149 | P1122-F1149 HydrophobicContact CG-CD1 3.49Å; P1122-F1149 VanDerWaalsContact CG-CD1 3.49Å; P1122-F1149 HydrophobicContact CG-CE1 3.62Å; P1122-F1149 HydrophobicContact CG-CG 4.21Å; P1122-F1149 HydrophobicContact CG-CZ 4.43Å |
| 1123 | T | 35.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 104.5 Ų | 104.5 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.1 | 171.7 | -27.9 | 0 | 0 | 0 | 0 | 109.5 | P1121 K1125 | P1121-T1123 PolarHBondContact O-N 2.9Å; T1123-K1125 PolarHBondContact O-N 3.04Å; T1123-K1125 VanDerWaalsContact O-N 3.13Å |
| 1124 | P | 36.3 | Very low | 35.2 | Very low | 42 Ų | 42 | 106.9 Ų | 106.9 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 119.1 | 174.8 | -27.1 | 36.3 | 0 | 0 | 0 | 110.9 | E1126 L1127 V1138 L1151 | P1124-E1126 VanDerWaalsContact C-N 3.29Å; P1124-E1126 PolarHBondContact O-N 3.44Å; P1124-L1127 HydrophobicContact CB-CB 4.26Å; P1124-L1127 HydrophobicContact CB-CD1 4.31Å; P1124-L1127 HydrophobicContact CG-CD1 4.31Å; P1124-V1138 HydrophobicContact CB-CG1 4.08Å; P1124-L1151 HydrophobicContact CG-CD1 4.24Å |
| 1125 | K | 40.8 | Very low | 37.1 | Very low | 129 Ų | 129 | 103.4 Ų | 103.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -70 | -30.6 | -171.5 | -166 | 175.9 | -176.7 | -179.4 | 0 | 112.3 | T1123 K1139 E1141 | T1123-K1125 PolarHBondContact O-N 3.04Å; T1123-K1125 VanDerWaalsContact O-N 3.13Å; K1125-K1139 PolarHBondContact N-O 3.03Å; K1125-E1141 HydrophobicContact CD-CG 4.43Å; K1125-E1141 WeakPolarHBondContact CD-OE1 3.32Å; K1125-E1141 WeakPolarHBondContact CD-OE2 3.38Å; K1125-E1141 IonicContact NZ-OE1 2.62Å; K1125-E1141 PolarHBondContact NZ-OE1 2.8Å; K1125-E1141 IonicContact NZ-OE2 2.86Å; K1125-E1141 PolarHBondContact NZ-OE2 3.3Å |
| 1126 | E | 43.7 | Very low | 38.9 | Very low | 78 Ų | 78 | 97.6 Ų | 97.6 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.4 | 160.4 | -68.8 | -175.3 | 90.2 | 0 | 0 | 108.6 | P1124 R1128 K1139 | P1124-E1126 VanDerWaalsContact C-N 3.29Å; P1124-E1126 PolarHBondContact O-N 3.44Å; E1126-R1128 IonicContact OE1-CZ 3.4Å; E1126-R1128 VanDerWaalsContact OE1-CZ 3.22Å; E1126-R1128 IonicContact OE1-NE 3.56Å; E1126-R1128 PolarHBondContact OE1-NE 2.82Å; E1126-R1128 IonicContact OE1-NH2 2.73Å; E1126-R1128 PolarHBondContact OE1-NH2 3.1Å; E1126-K1139 HydrophobicContact CB-CB 4.43Å; E1126-K1139 PolarHBondContact O-N 3.36Å; E1126-K1139 VanDerWaalsContact O-N 3.12Å |
| 1127 | L | 40.4 | Very low | 40.7 | Very low | 62 Ų | 62 | 92.1 Ų | 92.1 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 106.2 | 168.3 | -153.8 | 170.5 | 0 | 0 | 0 | 106.4 | P1124 I1136 F1137 V1138 L1236 | P1124-L1127 HydrophobicContact CB-CB 4.26Å; P1124-L1127 HydrophobicContact CB-CD1 4.31Å; P1124-L1127 HydrophobicContact CG-CD1 4.31Å; L1127-I1136 HydrophobicContact CD2-CG2 3.78Å; L1127-F1137 WeakPolarHBondContact CA-O 3.48Å; L1127-V1138 HydrophobicContact CG-CG1 4.43Å; L1127-V1138 HydrophobicContact CG-CG2 4.29Å; L1127-L1236 HydrophobicContact CD1-CD1 3.83Å; L1127-L1236 HydrophobicContact CD1-CD2 3.96Å; L1127-L1236 HydrophobicContact CD2-CD1 3.72Å; L1127-L1236 HydrophobicContact CG-CD1 4.44Å |
| 1128 | R | 48 | Very low | 42.2 | Very low | 159 Ų | 159 | 84.6 Ų | 84.6 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.6 | -177.4 | -60 | -172.4 | -171.9 | -147.8 | 6.3 | 109.9 | E1126 F1137 | E1126-R1128 IonicContact OE1-CZ 3.4Å; E1126-R1128 VanDerWaalsContact OE1-CZ 3.22Å; E1126-R1128 IonicContact OE1-NE 3.56Å; E1126-R1128 PolarHBondContact OE1-NE 2.82Å; E1126-R1128 IonicContact OE1-NH2 2.73Å; E1126-R1128 PolarHBondContact OE1-NH2 3.1Å; R1128-F1137 PolarHBondContact N-O 2.68Å; R1128-F1137 PolarHBondContact O-N 3.32Å |
| 1129 | T | 45 | Very low | 43.8 | Very low | 89 Ų | 89 | 81.8 Ų | 81.8 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 151.6 | 160.8 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | E1135 I1136 | T1129-E1135 CarbonylContact C-O 3.55Å; T1129-E1135 VanDerWaalsContact CA-O 3.25Å; T1129-E1135 WeakPolarHBondContact CA-O 3.07Å; T1129-I1136 HydrophobicContact CG2-CG1 4.28Å; T1129-I1136 HydrophobicContact CG2-CG2 4.47Å |
| 1130 | N | 46.9 | Very low | 45.1 | Very low | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | trans | -77.7 | 167.7 | 161.1 | 78.3 | -13.1 | 0 | 0 | 0 | 110.7 | T1132 G1133 R1134 E1135 | N1130-T1132 PolarHBondContact ND2-OG1 2.97Å; N1130-T1132 PolarHBondContact O-N 2.65Å; N1130-T1132 VanDerWaalsContact O-N 3.13Å; N1130-T1132 PolarHBondContact OD1-OG1 2.76Å; N1130-G1133 PolarHBondContact O-N 3Å; N1130-G1133 PolarHBondContact OD1-N 3.1Å; N1130-R1134 PolarHBondContact OD1-N 3.41Å; N1130-E1135 HydrophobicContact CB-CB 4.29Å; N1130-E1135 PolarHBondContact N-O 2.69Å; N1130-E1135 PolarHBondContact OD1-N 2.82Å | ||
| 1131 | D | 46.3 | Very low | 46.1 | Very low | 176 Ų | 176 | 75.4 Ų | 75.4 | 94% | 0.941 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.2 | -169.8 | -41 | -71 | 0 | 0 | 0 | 112.8 | G1133 | D1131-G1133 VanDerWaalsContact C-N 3.31Å; D1131-G1133 PolarHBondContact O-N 3.02Å |
| 1132 | T | 51.5 | Low | 46.8 | Very low | 88 Ų | 88 | 74.1 Ų | 74.1 | 54% | 0.54 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.7 | 173.8 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | N1130 R1134 | N1130-T1132 PolarHBondContact ND2-OG1 2.97Å; N1130-T1132 PolarHBondContact O-N 2.65Å; N1130-T1132 VanDerWaalsContact O-N 3.13Å; N1130-T1132 PolarHBondContact OD1-OG1 2.76Å; T1132-R1134 PolarHBondContact O-N 2.98Å; T1132-R1134 VanDerWaalsContact O-N 3.17Å; T1132-R1134 WeakPolarHBondContact OG1-CB 3.43Å; T1132-R1134 PolarHBondContact OG1-N 2.84Å |
| 1133 | G | 46.4 | Very low | 47.2 | Very low | 33 Ų | 33 | 78.6 Ų | 78.6 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 68.2 | 1.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1130 D1131 | N1130-G1133 PolarHBondContact O-N 3Å; N1130-G1133 PolarHBondContact OD1-N 3.1Å; D1131-G1133 VanDerWaalsContact C-N 3.31Å; D1131-G1133 PolarHBondContact O-N 3.02Å |
| 1134 | R | 54.5 | Low | 47.6 | Very low | 144 Ų | 144 | 77.9 Ų | 77.9 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | trans | -87.1 | -17.9 | -171.6 | -65.2 | 177.8 | -173.9 | -173.8 | 0.8 | 114.4 | N1130 T1132 L1206 | N1130-R1134 PolarHBondContact OD1-N 3.41Å; T1132-R1134 PolarHBondContact O-N 2.98Å; T1132-R1134 VanDerWaalsContact O-N 3.17Å; T1132-R1134 WeakPolarHBondContact OG1-CB 3.43Å; T1132-R1134 PolarHBondContact OG1-N 2.84Å; R1134-L1206 HydrophobicContact CB-CB 4.47Å; R1134-L1206 WeakPolarHBondContact CB-O 3.37Å; R1134-L1206 WeakPolarHBondContact O-CB 3.28Å; R1134-L1206 PolarHBondContact O-N 2.96Å | ||
| 1135 | E | 60.1 | Low | 48 | Very low | 31 Ų | 31 | 81.2 Ų | 81.2 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.6 | 176.3 | -57.8 | -159.2 | 134 | 0 | 0 | 110.6 | T1129 N1130 F1137 K1203 L1204 K1205 | T1129-E1135 CarbonylContact C-O 3.55Å; T1129-E1135 VanDerWaalsContact CA-O 3.25Å; T1129-E1135 WeakPolarHBondContact CA-O 3.07Å; N1130-E1135 HydrophobicContact CB-CB 4.29Å; N1130-E1135 PolarHBondContact N-O 2.69Å; N1130-E1135 PolarHBondContact OD1-N 2.82Å; E1135-F1137 HydrophobicContact CB-CE2 3.9Å; E1135-K1203 WeakPolarHBondContact OE1-CE 3.39Å; E1135-K1203 IonicContact OE1-NZ 3.18Å; E1135-K1203 PolarHBondContact OE1-NZ 3.16Å; E1135-K1203 WeakPolarHBondContact OE2-CE 3.44Å; E1135-K1203 IonicContact OE2-NZ 2.72Å; E1135-K1203 PolarHBondContact OE2-NZ 3.4Å; E1135-L1204 WeakPolarHBondContact CA-O 3.4Å; E1135-K1205 HydrophobicContact CG-CG 4.16Å; E1135-K1205 WeakPolarHBondContact OE1-CD 3.49Å; E1135-K1205 WeakPolarHBondContact OE1-CE 3.27Å |
| 1136 | I | 57.8 | Low | 47.8 | Very low | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.2 | 178.8 | -42.7 | -176.8 | 0 | 0 | 0 | 108.5 | L1127 T1129 V1138 L1153 K1203 L1204 L1206 V1234 | L1127-I1136 HydrophobicContact CD2-CG2 3.78Å; T1129-I1136 HydrophobicContact CG2-CG1 4.28Å; T1129-I1136 HydrophobicContact CG2-CG2 4.47Å; I1136-V1138 HydrophobicContact CG2-CG2 4.23Å; I1136-L1153 HydrophobicContact CD1-CD1 4.49Å; I1136-L1153 HydrophobicContact CD1-CD2 4.35Å; I1136-K1203 CarbonylContact O-C 3.51Å; I1136-K1203 WeakPolarHBondContact O-CA 3.1Å; I1136-L1204 HydrophobicContact CB-CB 4.21Å; I1136-L1204 HydrophobicContact CB-CD1 4.24Å; I1136-L1204 HydrophobicContact CD1-CD1 4.31Å; I1136-L1204 PolarHBondContact N-O 2.68Å; I1136-L1204 PolarHBondContact O-N 2.98Å; I1136-L1206 HydrophobicContact CD1-CD1 4.42Å; I1136-V1234 HydrophobicContact CD1-CG1 4.36Å |
| 1137 | F | 55.6 | Low | 48.1 | Very low | 76 Ų | 76 | 75.8 Ų | 75.8 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.5 | 177.2 | -64 | -103.1 | 0 | 0 | 0 | 109.5 | L1127 R1128 E1135 K1203 | L1127-F1137 WeakPolarHBondContact CA-O 3.48Å; R1128-F1137 PolarHBondContact N-O 2.68Å; R1128-F1137 PolarHBondContact O-N 3.32Å; E1135-F1137 HydrophobicContact CB-CE2 3.9Å; F1137-K1203 HydrophobicContact CD1-CB 4.14Å; F1137-K1203 HydrophobicContact CD1-CD 4.26Å; F1137-K1203 HydrophobicContact CD1-CG 4.07Å; F1137-K1203 HydrophobicContact CE1-CB 4.26Å; F1137-K1203 HydrophobicContact CE1-CD 3.56Å; F1137-K1203 HydrophobicContact CE1-CG 3.86Å; F1137-K1203 HydrophobicContact CE2-CD 4.5Å; F1137-K1203 HydrophobicContact CZ-CD 3.7Å; F1137-K1203 HydrophobicContact CZ-CG 4.11Å |
| 1138 | V | 53 | Low | 48.3 | Very low | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123 | 178.7 | -160.1 | 0 | 0 | 0 | 0 | 109.8 | P1124 L1127 I1136 F1140 V1202 | P1124-V1138 HydrophobicContact CB-CG1 4.08Å; L1127-V1138 HydrophobicContact CG-CG1 4.43Å; L1127-V1138 HydrophobicContact CG-CG2 4.29Å; I1136-V1138 HydrophobicContact CG2-CG2 4.23Å; V1138-F1140 HydrophobicContact CB-CE2 4.19Å; V1138-F1140 HydrophobicContact CB-CZ 3.93Å; V1138-F1140 HydrophobicContact CG1-CD1 4.31Å; V1138-F1140 HydrophobicContact CG1-CE1 3.51Å; V1138-F1140 HydrophobicContact CG1-CE2 4.03Å; V1138-F1140 HydrophobicContact CG1-CZ 3.36Å; V1138-V1202 PolarHBondContact N-O 2.88Å; V1138-V1202 PolarHBondContact O-N 2.76Å |
| 1139 | K | 53.8 | Low | 48.2 | Very low | 71 Ų | 71 | 71.5 Ų | 71.5 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.6 | 176.6 | -178.6 | 177.1 | 172.6 | -176.7 | 0 | 110.8 | K1125 E1126 E1141 V1201 | K1125-K1139 PolarHBondContact N-O 3.03Å; E1126-K1139 HydrophobicContact CB-CB 4.43Å; E1126-K1139 PolarHBondContact O-N 3.36Å; E1126-K1139 VanDerWaalsContact O-N 3.12Å; K1139-E1141 IonicContact NZ-OE1 3.46Å; K1139-V1201 HydrophobicContact CB-CG2 4.35Å; K1139-V1201 HydrophobicContact CG-CG2 4.24Å |
| 1140 | F | 48.1 | Very low | 48.6 | Very low | 24 Ų | 24 | 70.9 Ų | 70.9 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | trans | -111.1 | 132.2 | 178.2 | -53.9 | -69.3 | 0 | 0 | 0 | 111 | V1138 F1149 V1165 V1202 | V1138-F1140 HydrophobicContact CB-CE2 4.19Å; V1138-F1140 HydrophobicContact CB-CZ 3.93Å; V1138-F1140 HydrophobicContact CG1-CD1 4.31Å; V1138-F1140 HydrophobicContact CG1-CE1 3.51Å; V1138-F1140 HydrophobicContact CG1-CE2 4.03Å; V1138-F1140 HydrophobicContact CG1-CZ 3.36Å; F1140-F1149 HydrophobicContact CD1-CE1 4.48Å; F1140-F1149 HydrophobicContact CD1-CE2 4.23Å; F1140-F1149 AromaticContact CD1-CZ 3.57Å; F1140-F1149 HydrophobicContact CD1-CZ 3.57Å; F1140-F1149 AromaticContact CE1-CE2 3.62Å; F1140-F1149 HydrophobicContact CE1-CE2 3.62Å; F1140-F1149 AromaticContact CE1-CZ 3.39Å; F1140-F1149 HydrophobicContact CE1-CZ 3.39Å; F1140-F1149 HydrophobicContact CG-CZ 4.39Å; F1140-F1149 HydrophobicContact CZ-CE2 4.23Å; F1140-F1149 HydrophobicContact CZ-CZ 4.09Å; F1140-V1165 HydrophobicContact CZ-CG2 4.37Å; F1140-V1202 HydrophobicContact CD2-CG2 4.38Å; F1140-V1202 HydrophobicContact CE2-CB 4.33Å; F1140-V1202 HydrophobicContact CE2-CG2 3.88Å | ||
| 1141 | E | 45.1 | Very low | 48.6 | Very low | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | trans | -120.8 | 119.9 | 161.9 | -76.6 | 172.5 | -154.6 | 0 | 0 | 106.6 | K1125 K1139 L1143 | K1125-E1141 HydrophobicContact CD-CG 4.43Å; K1125-E1141 WeakPolarHBondContact CD-OE1 3.32Å; K1125-E1141 WeakPolarHBondContact CD-OE2 3.38Å; K1125-E1141 IonicContact NZ-OE1 2.62Å; K1125-E1141 PolarHBondContact NZ-OE1 2.8Å; K1125-E1141 IonicContact NZ-OE2 2.86Å; K1125-E1141 PolarHBondContact NZ-OE2 3.3Å; K1139-E1141 IonicContact NZ-OE1 3.46Å; E1141-L1143 PolarHBondContact O-N 2.78Å | ||
| 1142 | P | 42.8 | Very low | 48.9 | Very low | 63 Ų | 63 | 63.9 Ų | 63.9 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | trans | -77.3 | 119.5 | -174 | 29 | -33.2 | 0 | 0 | 0 | 111.5 | L1167 S1198 | P1142-L1167 HydrophobicContact CB-CD1 4.19Å; P1142-L1167 HydrophobicContact CB-CD2 4.46Å; P1142-S1198 VanDerWaalsContact CD-O 3.31Å; P1142-S1198 WeakPolarHBondContact CD-O 3.26Å | ||
| 1143 | L | 39.8 | Very low | 48.7 | Very low | 111 Ų | 111 | 60.2 Ų | 60.2 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | trans | -70.9 | 142.5 | 161.1 | -72.7 | 169.9 | 0 | 0 | 0 | 109.2 | E1141 E1145 T1146 | E1141-L1143 PolarHBondContact O-N 2.78Å; L1143-E1145 PolarHBondContact O-N 3.12Å; L1143-T1146 PolarHBondContact O-N 2.82Å | ||
| 1144 | P | 44.8 | Very low | 48.9 | Very low | 117 Ų | 117 | 62.6 Ų | 62.6 | 76% | 0.76 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | -169.8 | -26.7 | 35.3 | 0 | 0 | 0 | 115.5 | ||
| 1145 | E | 43.2 | Very low | 48.7 | Very low | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9.5 | -168.7 | -61.1 | -171.6 | 179.7 | 0 | 0 | 114.9 | W1118 L1119 L1143 | W1118-E1145 HydrophobicContact CD2-CB 4.37Å; W1118-E1145 HydrophobicContact CE3-CB 3.84Å; W1118-E1145 HydrophobicContact CE3-CG 4.16Å; W1118-E1145 VanDerWaalsContact CE3-O 3.29Å; W1118-E1145 HydrophobicContact CH2-CG 4.15Å; W1118-E1145 HydrophobicContact CZ3-CB 4.03Å; W1118-E1145 HydrophobicContact CZ3-CG 3.98Å; L1119-E1145 WeakPolarHBondContact CD2-O 3.47Å; L1143-E1145 PolarHBondContact O-N 3.12Å |
| 1146 | T | 38.3 | Very low | 48.1 | Very low | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | trans | -100.1 | 108.4 | -178.2 | -25.5 | 0 | 0 | 0 | 0 | 113 | L1119 L1120 L1143 L1167 | L1119-T1146 HydrophobicContact CD2-CG2 3.86Å; L1120-T1146 VanDerWaalsContact O-CG2 3.24Å; L1120-T1146 WeakPolarHBondContact O-CG2 3.49Å; L1120-T1146 PolarHBondContact O-OG1 2.87Å; L1143-T1146 PolarHBondContact O-N 2.82Å; T1146-L1167 VanDerWaalsContact O-CD1 3.32Å; T1146-L1167 WeakPolarHBondContact O-CD1 3.29Å | ||
| 1147 | K | 49 | Very low | 47.8 | Very low | 84 Ų | 84 | 67.5 Ų | 67.5 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | trans | -85 | -30.8 | -173.8 | -67 | 170.2 | 175.7 | -115.1 | 0 | 114.3 | L1119 L1167 E1168 | L1119-K1147 HydrophobicContact CD2-CB 4.2Å; L1119-K1147 VanDerWaalsContact CD2-N 3.35Å; K1147-L1167 PolarHBondContact O-N 2.81Å; K1147-E1168 HydrophobicContact CB-CB 4.18Å; K1147-E1168 WeakPolarHBondContact CD-OE1 3.42Å; K1147-E1168 HydrophobicContact CG-CB 4.45Å; K1147-E1168 IonicContact NZ-OE1 3.07Å; K1147-E1168 PolarHBondContact NZ-OE1 3.34Å; K1147-E1168 PolarHBondContact O-N 2.8Å | ||
| 1148 | R | 45.2 | Very low | 47.4 | Very low | 111 Ų | 111 | 67.7 Ų | 67.7 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 151.5 | 176.9 | -66 | -167.9 | 174.5 | 97.9 | 28.5 | 110.9 | V1165 D1166 | R1148-V1165 WeakPolarHBondContact CA-O 3.28Å; R1148-D1166 HydrophobicContact CG-CB 4.37Å; R1148-D1166 IonicContact CZ-OD1 3.38Å; R1148-D1166 IonicContact CZ-OD2 3.87Å; R1148-D1166 VanDerWaalsContact CZ-OD2 3.22Å; R1148-D1166 VanDerWaalsContact NE-CG 3.29Å; R1148-D1166 IonicContact NE-OD1 3.46Å; R1148-D1166 IonicContact NE-OD2 3.81Å; R1148-D1166 PolarHBondContact NE-OD2 3.48Å; R1148-D1166 IonicContact NH2-OD1 2.77Å; R1148-D1166 PolarHBondContact NH2-OD1 3.19Å; R1148-D1166 IonicContact NH2-OD2 2.77Å; R1148-D1166 PolarHBondContact NH2-OD2 2.84Å |
| 1149 | F | 44.9 | Very low | 47 | Very low | 20 Ų | 20 | 68 Ų | 68 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 153.6 | 160 | 61.5 | -88.1 | 0 | 0 | 0 | 110.4 | P1122 F1140 V1165 L1167 | P1122-F1149 HydrophobicContact CG-CD1 3.49Å; P1122-F1149 VanDerWaalsContact CG-CD1 3.49Å; P1122-F1149 HydrophobicContact CG-CE1 3.62Å; P1122-F1149 HydrophobicContact CG-CG 4.21Å; P1122-F1149 HydrophobicContact CG-CZ 4.43Å; F1140-F1149 HydrophobicContact CD1-CE1 4.48Å; F1140-F1149 HydrophobicContact CD1-CE2 4.23Å; F1140-F1149 AromaticContact CD1-CZ 3.57Å; F1140-F1149 HydrophobicContact CD1-CZ 3.57Å; F1140-F1149 AromaticContact CE1-CE2 3.62Å; F1140-F1149 HydrophobicContact CE1-CE2 3.62Å; F1140-F1149 AromaticContact CE1-CZ 3.39Å; F1140-F1149 HydrophobicContact CE1-CZ 3.39Å; F1140-F1149 HydrophobicContact CG-CZ 4.39Å; F1140-F1149 HydrophobicContact CZ-CE2 4.23Å; F1140-F1149 HydrophobicContact CZ-CZ 4.09Å; F1149-V1165 HydrophobicContact CD1-CB 4.25Å; F1149-V1165 HydrophobicContact CD2-CB 4.43Å; F1149-V1165 HydrophobicContact CD2-CG2 4.38Å; F1149-V1165 HydrophobicContact CE1-CB 3.69Å; F1149-V1165 HydrophobicContact CE1-CG1 3.97Å; F1149-V1165 HydrophobicContact CE1-CG2 4.21Å; F1149-V1165 HydrophobicContact CE2-CB 3.89Å; F1149-V1165 HydrophobicContact CE2-CG2 3.57Å; F1149-V1165 HydrophobicContact CZ-CB 3.48Å; F1149-V1165 VanDerWaalsContact CZ-CB 3.48Å; F1149-V1165 HydrophobicContact CZ-CG1 3.93Å; F1149-V1165 HydrophobicContact CZ-CG2 3.46Å; F1149-V1165 VanDerWaalsContact CZ-CG2 3.46Å; F1149-V1165 PolarHBondContact N-O 2.82Å; F1149-V1165 PolarHBondContact O-N 3.4Å; F1149-L1167 HydrophobicContact CD1-CD1 4.35Å; F1149-L1167 HydrophobicContact CE1-CD1 3.98Å; F1149-L1167 HydrophobicContact CE1-CG 4.29Å |
| 1150 | D | 53 | Low | 46.8 | Very low | 75 Ų | 75 | 65.9 Ų | 65.9 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.1 | 172.6 | -66.7 | -24.9 | 0 | 0 | 0 | 108.8 | T1162 M1163 R1164 | D1150-T1162 HydrophobicContact CB-CG2 4.09Å; D1150-M1163 CarbonylContact C-O 3.51Å; D1150-M1163 WeakPolarHBondContact CA-O 3.2Å; D1150-R1164 WeakPolarHBondContact OD1-CA 3.36Å; D1150-R1164 WeakPolarHBondContact OD1-CB 3.44Å; D1150-R1164 WeakPolarHBondContact OD1-CG 3.44Å; D1150-R1164 IonicContact OD1-CZ 2.69Å; D1150-R1164 IonicContact OD1-NE 2.74Å; D1150-R1164 PolarHBondContact OD1-NE 3.37Å; D1150-R1164 IonicContact OD1-NH2 3.49Å; D1150-R1164 IonicContact OD2-CZ 2.81Å; D1150-R1164 IonicContact OD2-NE 3.54Å; D1150-R1164 PolarHBondContact OD2-NE 2.69Å; D1150-R1164 IonicContact OD2-NH2 3.54Å; D1150-R1164 PolarHBondContact OD2-NH2 2.8Å |
| 1151 | L | 47.2 | Very low | 46.8 | Very low | 24 Ų | 24 | 65.1 Ų | 65.1 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 112.9 | -174.9 | -166.9 | 157.6 | 0 | 0 | 0 | 108.5 | P1124 L1153 M1163 L1236 | P1124-L1151 HydrophobicContact CG-CD1 4.24Å; L1151-L1153 HydrophobicContact CD2-CD2 4.4Å; L1151-L1153 HydrophobicContact CD2-CG 4.28Å; L1151-M1163 HydrophobicContact CB-CB 4.44Å; L1151-M1163 PolarHBondContact N-O 3.48Å; L1151-M1163 PolarHBondContact O-N 3.34Å; L1151-L1236 HydrophobicContact CD2-CD2 3.68Å |
| 1152 | D | 53.2 | Low | 47.1 | Very low | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.1 | -171.5 | -68.5 | -47.2 | 0 | 0 | 0 | 112.2 | T1162 I1237 | D1152-T1162 VanDerWaalsContact OD1-CB 3.26Å; D1152-T1162 WeakPolarHBondContact OD1-CB 3.45Å; D1152-T1162 VanDerWaalsContact OD1-CG2 3.24Å; D1152-T1162 WeakPolarHBondContact OD1-CG2 3.49Å; D1152-T1162 PolarHBondContact OD1-OG1 2.85Å; D1152-I1237 PolarHBondContact O-N 3.46Å; D1152-I1237 VanDerWaalsContact O-N 3.17Å |
| 1153 | L | 48 | Very low | 47.6 | Very low | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 103.2 | 177.8 | -67 | 167.5 | 0 | 0 | 0 | 108.7 | I1136 L1151 I1155 W1161 M1163 L1204 V1234 A1235 L1236 | I1136-L1153 HydrophobicContact CD1-CD1 4.49Å; I1136-L1153 HydrophobicContact CD1-CD2 4.35Å; L1151-L1153 HydrophobicContact CD2-CD2 4.4Å; L1151-L1153 HydrophobicContact CD2-CG 4.28Å; L1153-I1155 PolarHBondContact O-N 2.82Å; L1153-W1161 HydrophobicContact CB-CB 4.04Å; L1153-W1161 PolarHBondContact N-O 3.31Å; L1153-W1161 PolarHBondContact O-N 3.2Å; L1153-M1163 HydrophobicContact CD1-SD 3.61Å; L1153-L1204 HydrophobicContact CD1-CD1 4.21Å; L1153-V1234 HydrophobicContact CB-CG1 4.07Å; L1153-V1234 HydrophobicContact CD2-CG1 3.77Å; L1153-V1234 HydrophobicContact CG-CG1 4.45Å; L1153-A1235 CarbonylContact C-O 3.59Å; L1153-A1235 WeakPolarHBondContact CA-O 3.41Å; L1153-L1236 HydrophobicContact CD2-CD2 3.46Å; L1153-L1236 VanDerWaalsContact CD2-CD2 3.46Å; L1153-L1236 HydrophobicContact CD2-CG 3.82Å |
| 1154 | E | 49.4 | Very low | 48.6 | Very low | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.2 | 176.1 | -169.3 | 173 | -116.8 | 0 | 0 | 109.3 | V1234 A1235 I1237 | E1154-V1234 WeakPolarHBondContact O-CA 3.44Å; E1154-A1235 HydrophobicContact CB-CB 4.36Å; E1154-A1235 PolarHBondContact N-O 2.88Å; E1154-A1235 PolarHBondContact O-N 3.07Å; E1154-I1237 HydrophobicContact CB-CD1 4.08Å |
| 1155 | I | 50.6 | Low | 49.1 | Very low | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -34.6 | -177.2 | -66.5 | -173.9 | 0 | 0 | 0 | 110.8 | L1153 V1159 W1161 L1226 V1231 | L1153-I1155 PolarHBondContact O-N 2.82Å; I1155-V1159 PolarHBondContact N-O 3.17Å; I1155-W1161 HydrophobicContact CD1-CB 4.36Å; I1155-W1161 HydrophobicContact CD1-CD2 4.49Å; I1155-W1161 HydrophobicContact CD1-CG 3.82Å; I1155-L1226 HydrophobicContact CD1-CD2 4.27Å; I1155-V1231 HydrophobicContact CG2-CB 4.36Å; I1155-V1231 HydrophobicContact CG2-CG1 4.03Å; I1155-V1231 HydrophobicContact CG2-CG2 3.71Å |
| 1156 | N | 48.3 | Very low | 49.9 | Very low | 65 Ų | 65 | 46.7 Ų | 46.7 | 35% | 0.348 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 177.7 | 167.6 | 62.2 | 38.4 | 0 | 0 | 0 | 108.8 | T1158 V1159 | N1156-T1158 PolarHBondContact O-N 2.96Å; N1156-T1158 PolarHBondContact OD1-N 3.07Å; N1156-T1158 PolarHBondContact OD1-OG1 2.91Å; N1156-V1159 PolarHBondContact O-N 2.8Å; N1156-V1159 PolarHBondContact OD1-N 2.86Å |
| 1157 | E | 49.9 | Very low | 50.5 | Low | 195 Ų | 195 | 48.1 Ų | 48.1 | 91% | 0.911 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.8 | -176.2 | -55.7 | -172.2 | 154 | 0 | 0 | 115.4 | ||
| 1158 | T | 47.5 | Very low | 50.7 | Low | 81 Ų | 81 | 49.3 Ų | 49.3 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -15.9 | -179.5 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | N1156 E1179 | N1156-T1158 PolarHBondContact O-N 2.96Å; N1156-T1158 PolarHBondContact OD1-N 3.07Å; N1156-T1158 PolarHBondContact OD1-OG1 2.91Å; T1158-E1179 PolarHBondContact O-N 2.79Å |
| 1159 | V | 45.8 | Very low | 51.4 | Low | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 108.2 | -172.4 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | I1155 N1156 V1176 | I1155-V1159 PolarHBondContact N-O 3.17Å; N1156-V1159 PolarHBondContact O-N 2.8Å; N1156-V1159 PolarHBondContact OD1-N 2.86Å; V1159-V1176 HydrophobicContact CG1-CG1 3.6Å |
| 1160 | A | 49.6 | Very low | 51.8 | Low | 26 Ų | 26 | 52.5 Ų | 52.5 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1177 | A1160-L1177 PolarHBondContact N-O 2.86Å; A1160-L1177 VanDerWaalsContact N-O 3.08Å; A1160-L1177 PolarHBondContact O-N 2.88Å |
| 1161 | W | 46.5 | Very low | 52.1 | Low | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.4 | 170.5 | -97.4 | 58.7 | 0 | 0 | 0 | 109.4 | L1153 I1155 C1174 V1176 L1190 V1211 L1226 | L1153-W1161 HydrophobicContact CB-CB 4.04Å; L1153-W1161 PolarHBondContact N-O 3.31Å; L1153-W1161 PolarHBondContact O-N 3.2Å; I1155-W1161 HydrophobicContact CD1-CB 4.36Å; I1155-W1161 HydrophobicContact CD1-CD2 4.49Å; I1155-W1161 HydrophobicContact CD1-CG 3.82Å; W1161-C1174 WeakPolarHBondContact CZ3-SG 3.4Å; W1161-V1176 HydrophobicContact CD2-CG2 4.24Å; W1161-V1176 HydrophobicContact CG-CG2 4.43Å; W1161-V1176 HydrophobicContact CZ2-CG2 3.78Å; W1161-V1176 VanDerWaalsContact NE1-CG2 3.33Å; W1161-L1190 HydrophobicContact CH2-CD1 4.21Å; W1161-L1190 HydrophobicContact CZ3-CD1 4.23Å; W1161-V1211 HydrophobicContact CH2-CB 3.68Å; W1161-V1211 HydrophobicContact CH2-CG1 3.77Å; W1161-V1211 HydrophobicContact CH2-CG2 3.72Å; W1161-V1211 HydrophobicContact CZ2-CB 4.31Å; W1161-V1211 HydrophobicContact CZ2-CG2 3.97Å; W1161-V1211 HydrophobicContact CZ3-CB 4.1Å; W1161-V1211 HydrophobicContact CZ3-CG1 3.7Å; W1161-V1211 HydrophobicContact CZ3-CG2 4.06Å; W1161-L1226 VanDerWaalsContact CE2-CD2 3.45Å; W1161-L1226 HydrophobicContact CH2-CD2 4.47Å; W1161-L1226 HydrophobicContact CZ2-CD2 3.37Å |
| 1162 | T | 52.8 | Low | 52.3 | Low | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | D1150 D1152 G1175 L1177 W1182 | D1150-T1162 HydrophobicContact CB-CG2 4.09Å; D1152-T1162 VanDerWaalsContact OD1-CB 3.26Å; D1152-T1162 WeakPolarHBondContact OD1-CB 3.45Å; D1152-T1162 VanDerWaalsContact OD1-CG2 3.24Å; D1152-T1162 WeakPolarHBondContact OD1-CG2 3.49Å; D1152-T1162 PolarHBondContact OD1-OG1 2.85Å; T1162-G1175 PolarHBondContact N-O 3.15Å; T1162-G1175 VanDerWaalsContact N-O 3.09Å; T1162-G1175 PolarHBondContact O-N 3.18Å; T1162-L1177 WeakPolarHBondContact OG1-CD1 3.19Å; T1162-W1182 HydrophobicContact CG2-CH2 3.82Å; T1162-W1182 HydrophobicContact CG2-CZ2 3.6Å |
| 1163 | M | 53.1 | Low | 52.5 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.2 | 171.7 | -72 | 162.9 | 58.1 | 0 | 0 | 109.5 | D1150 L1151 L1153 F1172 C1174 L1204 | D1150-M1163 CarbonylContact C-O 3.51Å; D1150-M1163 WeakPolarHBondContact CA-O 3.2Å; L1151-M1163 HydrophobicContact CB-CB 4.44Å; L1151-M1163 PolarHBondContact N-O 3.48Å; L1151-M1163 PolarHBondContact O-N 3.34Å; L1153-M1163 HydrophobicContact CD1-SD 3.61Å; M1163-F1172 HydrophobicContact CB-CE2 4.4Å; M1163-F1172 HydrophobicContact CB-CZ 4.46Å; M1163-F1172 HydrophobicContact CE-CE2 3.71Å; M1163-F1172 HydrophobicContact CE-CZ 3.86Å; M1163-F1172 HydrophobicContact CG-CE2 4.48Å; M1163-F1172 HydrophobicContact CG-CZ 4.13Å; M1163-C1174 HydrophobicContact CG-CB 4.33Å; M1163-L1204 HydrophobicContact CE-CD1 3.92Å; M1163-L1204 HydrophobicContact CE-CD2 4.41Å; M1163-L1204 HydrophobicContact SD-CD1 3.59Å; M1163-L1204 VanDerWaalsContact SD-CD1 3.59Å |
| 1164 | R | 59.6 | Low | 52.6 | Low | 85 Ų | 85 | 48.5 Ų | 48.5 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.4 | -179.3 | 172.5 | 167.1 | -70.2 | 156.2 | 1.8 | 110.6 | D1150 T1173 | D1150-R1164 WeakPolarHBondContact OD1-CA 3.36Å; D1150-R1164 WeakPolarHBondContact OD1-CB 3.44Å; D1150-R1164 WeakPolarHBondContact OD1-CG 3.44Å; D1150-R1164 IonicContact OD1-CZ 2.69Å; D1150-R1164 IonicContact OD1-NE 2.74Å; D1150-R1164 PolarHBondContact OD1-NE 3.37Å; D1150-R1164 IonicContact OD1-NH2 3.49Å; D1150-R1164 IonicContact OD2-CZ 2.81Å; D1150-R1164 IonicContact OD2-NE 3.54Å; D1150-R1164 PolarHBondContact OD2-NE 2.69Å; D1150-R1164 IonicContact OD2-NH2 3.54Å; D1150-R1164 PolarHBondContact OD2-NH2 2.8Å; R1164-T1173 CarbonylContact C-O 3.54Å; R1164-T1173 PolarHBondContact N-O 3.1Å; R1164-T1173 PolarHBondContact O-N 2.97Å; R1164-T1173 PolarHBondContact O-OG1 3.48Å; R1164-T1173 VanDerWaalsContact O-OG1 3.14Å |
| 1165 | V | 56.1 | Low | 52.8 | Low | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.8 | 176 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | F1140 R1148 F1149 L1167 F1172 | F1140-V1165 HydrophobicContact CZ-CG2 4.37Å; R1148-V1165 WeakPolarHBondContact CA-O 3.28Å; F1149-V1165 HydrophobicContact CD1-CB 4.25Å; F1149-V1165 HydrophobicContact CD2-CB 4.43Å; F1149-V1165 HydrophobicContact CD2-CG2 4.38Å; F1149-V1165 HydrophobicContact CE1-CB 3.69Å; F1149-V1165 HydrophobicContact CE1-CG1 3.97Å; F1149-V1165 HydrophobicContact CE1-CG2 4.21Å; F1149-V1165 HydrophobicContact CE2-CB 3.89Å; F1149-V1165 HydrophobicContact CE2-CG2 3.57Å; F1149-V1165 HydrophobicContact CZ-CB 3.48Å; F1149-V1165 VanDerWaalsContact CZ-CB 3.48Å; F1149-V1165 HydrophobicContact CZ-CG1 3.93Å; F1149-V1165 HydrophobicContact CZ-CG2 3.46Å; F1149-V1165 VanDerWaalsContact CZ-CG2 3.46Å; F1149-V1165 PolarHBondContact N-O 2.82Å; F1149-V1165 PolarHBondContact O-N 3.4Å; V1165-L1167 HydrophobicContact CG1-CD2 3.92Å; V1165-L1167 HydrophobicContact CG1-CG 4.11Å; V1165-F1172 HydrophobicContact CG2-CD2 4.06Å |
| 1166 | D | 59.2 | Low | 52.9 | Low | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 86 | 175 | -168.7 | -24.7 | 0 | 0 | 0 | 108.4 | R1148 E1168 K1169 N1170 T1171 | R1148-D1166 HydrophobicContact CG-CB 4.37Å; R1148-D1166 IonicContact CZ-OD1 3.38Å; R1148-D1166 IonicContact CZ-OD2 3.87Å; R1148-D1166 VanDerWaalsContact CZ-OD2 3.22Å; R1148-D1166 VanDerWaalsContact NE-CG 3.29Å; R1148-D1166 IonicContact NE-OD1 3.46Å; R1148-D1166 IonicContact NE-OD2 3.81Å; R1148-D1166 PolarHBondContact NE-OD2 3.48Å; R1148-D1166 IonicContact NH2-OD1 2.77Å; R1148-D1166 PolarHBondContact NH2-OD1 3.19Å; R1148-D1166 IonicContact NH2-OD2 2.77Å; R1148-D1166 PolarHBondContact NH2-OD2 2.84Å; D1166-E1168 VanDerWaalsContact C-N 3.27Å; D1166-E1168 PolarHBondContact O-N 2.97Å; D1166-K1169 HydrophobicContact CB-CB 4.4Å; D1166-K1169 PolarHBondContact O-N 2.92Å; D1166-K1169 PolarHBondContact OD1-N 2.84Å; D1166-K1169 VanDerWaalsContact OD2-CD 3.31Å; D1166-K1169 WeakPolarHBondContact OD2-CD 3.47Å; D1166-K1169 VanDerWaalsContact OD2-CE 3.32Å; D1166-K1169 WeakPolarHBondContact OD2-CE 3.36Å; D1166-K1169 IonicContact OD2-NZ 2.96Å; D1166-K1169 PolarHBondContact OD2-NZ 3.38Å; D1166-N1170 PolarHBondContact O-N 3.23Å; D1166-N1170 VanDerWaalsContact O-N 3.07Å; D1166-T1171 PolarHBondContact N-O 2.8Å; D1166-T1171 PolarHBondContact O-N 3.37Å |
| 1167 | L | 51.6 | Low | 52.6 | Low | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.199 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -63.1 | -34.5 | -178.5 | -70.9 | 173.8 | 0 | 0 | 0 | 111.4 | P1142 T1146 K1147 F1149 V1165 K1169 N1170 | P1142-L1167 HydrophobicContact CB-CD1 4.19Å; P1142-L1167 HydrophobicContact CB-CD2 4.46Å; T1146-L1167 VanDerWaalsContact O-CD1 3.32Å; T1146-L1167 WeakPolarHBondContact O-CD1 3.29Å; K1147-L1167 PolarHBondContact O-N 2.81Å; F1149-L1167 HydrophobicContact CD1-CD1 4.35Å; F1149-L1167 HydrophobicContact CE1-CD1 3.98Å; F1149-L1167 HydrophobicContact CE1-CG 4.29Å; V1165-L1167 HydrophobicContact CG1-CD2 3.92Å; V1165-L1167 HydrophobicContact CG1-CG 4.11Å; L1167-K1169 PolarHBondContact O-N 2.9Å; L1167-N1170 PolarHBondContact O-N 3.27Å |
| 1168 | E | 53.2 | Low | 52.7 | Low | 109 Ų | 109 | 34.4 Ų | 34.4 | 51% | 0.509 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -63.2 | -28.9 | 177.3 | -171.8 | 170.1 | -121 | 0 | 0 | 112.7 | K1147 D1166 | K1147-E1168 HydrophobicContact CB-CB 4.18Å; K1147-E1168 WeakPolarHBondContact CD-OE1 3.42Å; K1147-E1168 HydrophobicContact CG-CB 4.45Å; K1147-E1168 IonicContact NZ-OE1 3.07Å; K1147-E1168 PolarHBondContact NZ-OE1 3.34Å; K1147-E1168 PolarHBondContact O-N 2.8Å; D1166-E1168 VanDerWaalsContact C-N 3.27Å; D1166-E1168 PolarHBondContact O-N 2.97Å |
| 1169 | K | 59.2 | Low | 52.9 | Low | 126 Ų | 126 | 38 Ų | 38 | 55% | 0.548 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -95.1 | -5.7 | 171.3 | -67.4 | 180 | -166.2 | 141.2 | 0 | 114.2 | D1166 L1167 T1171 | D1166-K1169 HydrophobicContact CB-CB 4.4Å; D1166-K1169 PolarHBondContact O-N 2.92Å; D1166-K1169 PolarHBondContact OD1-N 2.84Å; D1166-K1169 VanDerWaalsContact OD2-CD 3.31Å; D1166-K1169 WeakPolarHBondContact OD2-CD 3.47Å; D1166-K1169 VanDerWaalsContact OD2-CE 3.32Å; D1166-K1169 WeakPolarHBondContact OD2-CE 3.36Å; D1166-K1169 IonicContact OD2-NZ 2.96Å; D1166-K1169 PolarHBondContact OD2-NZ 3.38Å; L1167-K1169 PolarHBondContact O-N 2.9Å; K1169-T1171 HydrophobicContact CB-CG2 4.07Å; K1169-T1171 WeakPolarHBondContact CB-OG1 3.32Å; K1169-T1171 PolarHBondContact O-N 3.14Å |
| 1170 | N | 54.4 | Low | 53 | Low | 72 Ų | 72 | 40.8 Ų | 40.8 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 40.4 | -162.4 | -90.2 | -29.9 | 0 | 0 | 0 | 112.3 | D1166 L1167 K1195 V1196 | D1166-N1170 PolarHBondContact O-N 3.23Å; D1166-N1170 VanDerWaalsContact O-N 3.07Å; L1167-N1170 PolarHBondContact O-N 3.27Å; N1170-K1195 CarbonylContact O-C 3.57Å; N1170-K1195 VanDerWaalsContact O-CA 3.27Å; N1170-K1195 WeakPolarHBondContact O-CA 3.27Å; N1170-V1196 WeakPolarHBondContact CB-O 3.32Å; N1170-V1196 PolarHBondContact O-N 2.83Å; N1170-V1196 PolarHBondContact OD1-O 2.91Å |
| 1171 | T | 58 | Low | 52.9 | Low | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132 | -178.6 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | D1166 K1169 P1193 L1194 | D1166-T1171 PolarHBondContact N-O 2.8Å; D1166-T1171 PolarHBondContact O-N 3.37Å; K1169-T1171 HydrophobicContact CB-CG2 4.07Å; K1169-T1171 WeakPolarHBondContact CB-OG1 3.32Å; K1169-T1171 PolarHBondContact O-N 3.14Å; T1171-P1193 HydrophobicContact CG2-CB 3.88Å; T1171-L1194 CarbonylContact C-O 3.6Å; T1171-L1194 WeakPolarHBondContact CA-O 3.47Å |
| 1172 | F | 51.6 | Low | 52.9 | Low | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.7 | 168.4 | 177.7 | -86.1 | 0 | 0 | 0 | 110.7 | M1163 V1165 C1174 P1193 L1194 V1196 V1213 | M1163-F1172 HydrophobicContact CB-CE2 4.4Å; M1163-F1172 HydrophobicContact CB-CZ 4.46Å; M1163-F1172 HydrophobicContact CE-CE2 3.71Å; M1163-F1172 HydrophobicContact CE-CZ 3.86Å; M1163-F1172 HydrophobicContact CG-CE2 4.48Å; M1163-F1172 HydrophobicContact CG-CZ 4.13Å; V1165-F1172 HydrophobicContact CG2-CD2 4.06Å; F1172-C1174 HydrophobicContact CE1-CB 3.74Å; F1172-C1174 HydrophobicContact CZ-CB 4.04Å; F1172-P1193 WeakPolarHBondContact O-CA 3.34Å; F1172-L1194 HydrophobicContact CB-CB 4.35Å; F1172-L1194 HydrophobicContact CD1-CD1 4.48Å; F1172-L1194 PolarHBondContact N-O 2.81Å; F1172-L1194 PolarHBondContact O-N 2.98Å; F1172-V1196 HydrophobicContact CB-CG2 3.6Å; F1172-V1213 HydrophobicContact CE1-CG1 4.32Å |
| 1173 | T | 57.8 | Low | 52.7 | Low | 39 Ų | 39 | 54.7 Ų | 54.7 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.9 | 172.2 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | R1164 P1193 | R1164-T1173 CarbonylContact C-O 3.54Å; R1164-T1173 PolarHBondContact N-O 3.1Å; R1164-T1173 PolarHBondContact O-N 2.97Å; R1164-T1173 PolarHBondContact O-OG1 3.48Å; R1164-T1173 VanDerWaalsContact O-OG1 3.14Å; T1173-P1193 HydrophobicContact CG2-CB 3.73Å; T1173-P1193 HydrophobicContact CG2-CG 3.74Å |
| 1174 | C | 50.3 | Low | 52.6 | Low | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 147.7 | -179 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | W1161 M1163 F1172 L1190 | W1161-C1174 WeakPolarHBondContact CZ3-SG 3.4Å; M1163-C1174 HydrophobicContact CG-CB 4.33Å; F1172-C1174 HydrophobicContact CE1-CB 3.74Å; F1172-C1174 HydrophobicContact CZ-CB 4.04Å; C1174-L1190 HydrophobicContact CB-CD1 3.86Å |
| 1175 | G | 53.5 | Low | 52.1 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 172.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1162 | T1162-G1175 PolarHBondContact N-O 3.15Å; T1162-G1175 VanDerWaalsContact N-O 3.09Å; T1162-G1175 PolarHBondContact O-N 3.18Å |
| 1176 | V | 52.2 | Low | 51.7 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134 | -171 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | V1159 W1161 V1178 H1183 F1186 | V1159-V1176 HydrophobicContact CG1-CG1 3.6Å; W1161-V1176 HydrophobicContact CD2-CG2 4.24Å; W1161-V1176 HydrophobicContact CG-CG2 4.43Å; W1161-V1176 HydrophobicContact CZ2-CG2 3.78Å; W1161-V1176 VanDerWaalsContact NE1-CG2 3.33Å; V1176-V1178 HydrophobicContact CG1-CG2 3.77Å; V1176-H1183 PolarHBondContact O-N 3.18Å; V1176-F1186 HydrophobicContact CB-CB 4.05Å; V1176-F1186 HydrophobicContact CB-CD2 3.82Å; V1176-F1186 HydrophobicContact CB-CE2 4.47Å; V1176-F1186 HydrophobicContact CB-CG 3.88Å; V1176-F1186 HydrophobicContact CG2-CB 3.68Å; V1176-F1186 HydrophobicContact CG2-CD1 3.59Å; V1176-F1186 HydrophobicContact CG2-CD2 3.74Å; V1176-F1186 HydrophobicContact CG2-CE1 4.16Å; V1176-F1186 HydrophobicContact CG2-CE2 4.29Å; V1176-F1186 HydrophobicContact CG2-CG 3.36Å; V1176-F1186 HydrophobicContact CG2-CZ 4.49Å |
| 1177 | L | 43.5 | Very low | 51 | Low | 32 Ų | 32 | 71.9 Ų | 71.9 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 94.7 | -175.5 | -141.1 | 161.4 | 0 | 0 | 0 | 107.2 | A1160 T1162 K1181 W1182 | A1160-L1177 PolarHBondContact N-O 2.86Å; A1160-L1177 VanDerWaalsContact N-O 3.08Å; A1160-L1177 PolarHBondContact O-N 2.88Å; T1162-L1177 WeakPolarHBondContact OG1-CD1 3.19Å; L1177-K1181 WeakPolarHBondContact CA-O 3.43Å; L1177-W1182 HydrophobicContact CD1-CD2 4.39Å; L1177-W1182 HydrophobicContact CD1-CG 4.48Å; L1177-W1182 HydrophobicContact CD1-CZ2 4.2Å; L1177-W1182 HydrophobicContact CG-CG 4.41Å |
| 1178 | V | 51.1 | Low | 50.8 | Low | 38 Ų | 38 | 75.3 Ų | 75.3 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.6 | -177 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | V1176 G1180 K1181 H1183 | V1176-V1178 HydrophobicContact CG1-CG2 3.77Å; V1178-G1180 PolarHBondContact O-N 2.93Å; V1178-G1180 VanDerWaalsContact O-N 3.16Å; V1178-K1181 PolarHBondContact N-O 2.92Å; V1178-K1181 PolarHBondContact O-N 2.84Å; V1178-H1183 HydrophobicContact CG2-CB 4.21Å |
| 1179 | E | 50.7 | Low | 50.5 | Low | 158 Ų | 158 | 72.2 Ų | 72.2 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 42.4 | -178.4 | -61.5 | -179.9 | 166.1 | 0 | 0 | 113.9 | T1158 K1181 | T1158-E1179 PolarHBondContact O-N 2.79Å; E1179-K1181 VanDerWaalsContact C-N 3.26Å; E1179-K1181 PolarHBondContact O-N 3.07Å |
| 1180 | G | 48.2 | Very low | 49.9 | Very low | 67 Ų | 67 | 67.3 Ų | 67.3 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 10.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1178 | V1178-G1180 PolarHBondContact O-N 2.93Å; V1178-G1180 VanDerWaalsContact O-N 3.16Å |
| 1181 | K | 48.1 | Very low | 49.5 | Very low | 153 Ų | 153 | 66.3 Ų | 66.3 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.3 | 177.8 | -68.3 | 166.1 | -172.7 | 157.1 | 0 | 112.5 | L1177 V1178 E1179 H1183 | L1177-K1181 WeakPolarHBondContact CA-O 3.43Å; V1178-K1181 PolarHBondContact N-O 2.92Å; V1178-K1181 PolarHBondContact O-N 2.84Å; E1179-K1181 VanDerWaalsContact C-N 3.26Å; E1179-K1181 PolarHBondContact O-N 3.07Å; K1181-H1183 PolarHBondContact O-N 2.79Å |
| 1182 | W | 46.8 | Very low | 49.3 | Very low | 79 Ų | 79 | 74.5 Ų | 74.5 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 113.2 | 172.6 | -77.3 | 82.7 | 0 | 0 | 0 | 111 | T1162 L1177 K1184 L1187 | T1162-W1182 HydrophobicContact CG2-CH2 3.82Å; T1162-W1182 HydrophobicContact CG2-CZ2 3.6Å; L1177-W1182 HydrophobicContact CD1-CD2 4.39Å; L1177-W1182 HydrophobicContact CD1-CG 4.48Å; L1177-W1182 HydrophobicContact CD1-CZ2 4.2Å; L1177-W1182 HydrophobicContact CG-CG 4.41Å; W1182-K1184 PolarHBondContact O-N 2.84Å; W1182-L1187 HydrophobicContact CB-CD1 4.4Å; W1182-L1187 HydrophobicContact CD2-CD1 4.35Å; W1182-L1187 HydrophobicContact CE3-CD1 3.72Å; W1182-L1187 HydrophobicContact CE3-CG 4.09Å; W1182-L1187 HydrophobicContact CZ3-CD1 4.43Å; W1182-L1187 HydrophobicContact CZ3-CG 4.42Å |
| 1183 | H | 47.8 | Very low | 49.3 | Very low | 98 Ų | 98 | 77.6 Ų | 77.6 | 45% | 0.454 | 41% | 0.411 | S | S | . | . | trans | -84.7 | 104.3 | -174.2 | -155.7 | 61.2 | 0 | 0 | 0 | 110.9 | V1176 V1178 K1181 K1185 F1186 | V1176-H1183 PolarHBondContact O-N 3.18Å; V1178-H1183 HydrophobicContact CG2-CB 4.21Å; K1181-H1183 PolarHBondContact O-N 2.79Å; H1183-K1185 PolarHBondContact O-N 2.86Å; H1183-F1186 PolarHBondContact O-N 2.88Å | ||
| 1184 | K | 50.8 | Low | 49.1 | Very low | 180 Ų | 180 | 77.2 Ų | 77.2 | 78% | 0.783 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -47.4 | -33.5 | -165.9 | -75.6 | -173 | 176 | -179.8 | 0 | 115.9 | W1182 F1186 L1187 T1188 | W1182-K1184 PolarHBondContact O-N 2.84Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 2.94Å; K1184-L1187 PolarHBondContact O-N 3.4Å; K1184-T1188 PolarHBondContact O-OG1 3.34Å |
| 1185 | K | 50.8 | Low | 49.3 | Very low | 163 Ų | 163 | 85.5 Ų | 85.5 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.5 | -36.8 | 178.9 | -78.6 | -175.7 | 172.5 | -179.1 | 0 | 113.3 | H1183 T1188 A1189 | H1183-K1185 PolarHBondContact O-N 2.86Å; K1185-T1188 PolarHBondContact O-OG1 3.29Å; K1185-A1189 WeakPolarHBondContact O-CB 3.26Å; K1185-A1189 PolarHBondContact O-N 3.08Å |
| 1186 | F | 47.8 | Very low | 49.3 | Very low | 28 Ų | 28 | 86.5 Ų | 86.5 | 12% | 0.123 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -80.9 | -30 | -176.3 | -73.7 | -80.7 | 0 | 0 | 0 | 113.2 | V1176 H1183 K1184 T1188 A1189 V1224 T1225 P1227 | V1176-F1186 HydrophobicContact CB-CB 4.05Å; V1176-F1186 HydrophobicContact CB-CD2 3.82Å; V1176-F1186 HydrophobicContact CB-CE2 4.47Å; V1176-F1186 HydrophobicContact CB-CG 3.88Å; V1176-F1186 HydrophobicContact CG2-CB 3.68Å; V1176-F1186 HydrophobicContact CG2-CD1 3.59Å; V1176-F1186 HydrophobicContact CG2-CD2 3.74Å; V1176-F1186 HydrophobicContact CG2-CE1 4.16Å; V1176-F1186 HydrophobicContact CG2-CE2 4.29Å; V1176-F1186 HydrophobicContact CG2-CG 3.36Å; V1176-F1186 HydrophobicContact CG2-CZ 4.49Å; H1183-F1186 PolarHBondContact O-N 2.88Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 2.94Å; F1186-T1188 PolarHBondContact O-N 3.14Å; F1186-A1189 PolarHBondContact O-N 2.88Å; F1186-V1224 HydrophobicContact CD1-CG1 3.96Å; F1186-V1224 HydrophobicContact CE1-CG1 3.94Å; F1186-T1225 WeakPolarHBondContact CE1-O 3.37Å; F1186-P1227 HydrophobicContact CE2-CG 4.24Å; F1186-P1227 HydrophobicContact CZ-CG 4.06Å |
| 1187 | L | 43.4 | Very low | 49.1 | Very low | 90 Ų | 90 | 88.5 Ų | 88.5 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -18.2 | 176.4 | -119.7 | 166 | 0 | 0 | 0 | 113.2 | W1182 K1184 | W1182-L1187 HydrophobicContact CB-CD1 4.4Å; W1182-L1187 HydrophobicContact CD2-CD1 4.35Å; W1182-L1187 HydrophobicContact CE3-CD1 3.72Å; W1182-L1187 HydrophobicContact CE3-CG 4.09Å; W1182-L1187 HydrophobicContact CZ3-CD1 4.43Å; W1182-L1187 HydrophobicContact CZ3-CG 4.42Å; K1184-L1187 PolarHBondContact O-N 3.4Å |
| 1188 | T | 47.4 | Very low | 49.4 | Very low | 110 Ų | 110 | 91.3 Ų | 91.3 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -101.6 | -30.1 | 170.6 | 36 | 0 | 0 | 0 | 0 | 113.7 | K1184 K1185 F1186 L1190 G1191 | K1184-T1188 PolarHBondContact O-OG1 3.34Å; K1185-T1188 PolarHBondContact O-OG1 3.29Å; F1186-T1188 PolarHBondContact O-N 3.14Å; T1188-L1190 VanDerWaalsContact C-N 3.33Å; T1188-L1190 PolarHBondContact O-N 2.78Å; T1188-G1191 PolarHBondContact O-N 2.57Å; T1188-G1191 VanDerWaalsContact O-N 3.11Å |
| 1189 | A | 47.8 | Very low | 49.2 | Very low | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1185 F1186 G1191 V1224 | K1185-A1189 WeakPolarHBondContact O-CB 3.26Å; K1185-A1189 PolarHBondContact O-N 3.08Å; F1186-A1189 PolarHBondContact O-N 2.88Å; A1189-G1191 VanDerWaalsContact C-N 3.28Å; A1189-G1191 PolarHBondContact O-N 2.89Å; A1189-V1224 HydrophobicContact CB-CG1 4.11Å; A1189-V1224 HydrophobicContact CB-CG2 4.36Å |
| 1190 | L | 45.1 | Very low | 49.2 | Very low | 24 Ų | 24 | 86.8 Ų | 86.8 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.6 | 178 | -74.4 | 166.5 | 0 | 0 | 0 | 114.1 | W1161 C1174 T1188 V1224 | W1161-L1190 HydrophobicContact CH2-CD1 4.21Å; W1161-L1190 HydrophobicContact CZ3-CD1 4.23Å; C1174-L1190 HydrophobicContact CB-CD1 3.86Å; T1188-L1190 VanDerWaalsContact C-N 3.33Å; T1188-L1190 PolarHBondContact O-N 2.78Å; L1190-V1224 HydrophobicContact CD2-CB 4.31Å; L1190-V1224 HydrophobicContact CD2-CG2 3.63Å; L1190-V1224 HydrophobicContact CG-CG2 4.06Å |
| 1191 | G | 47.7 | Very low | 49.5 | Very low | 50 Ų | 50 | 86.1 Ų | 86.1 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | 80.5 | -162 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1188 A1189 | T1188-G1191 PolarHBondContact O-N 2.57Å; T1188-G1191 VanDerWaalsContact O-N 3.11Å; A1189-G1191 VanDerWaalsContact C-N 3.28Å; A1189-G1191 PolarHBondContact O-N 2.89Å | ||
| 1192 | K | 54 | Low | 50.1 | Low | 193 Ų | 193 | 78.9 Ų | 78.9 | 84% | 0.839 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -68.6 | 146.8 | -179.5 | -70.4 | -179.4 | 179.3 | 176.4 | 0 | 110.6 | L1194 | K1192-L1194 PolarHBondContact O-N 2.88Š|
| 1193 | P | 51.4 | Low | 51 | Low | 74 Ų | 74 | 77.7 Ų | 77.7 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 124.1 | 179.2 | -27.5 | 34.2 | 0 | 0 | 0 | 112.5 | T1171 F1172 T1173 K1195 | T1171-P1193 HydrophobicContact CG2-CB 3.88Å; F1172-P1193 WeakPolarHBondContact O-CA 3.34Å; T1173-P1193 HydrophobicContact CG2-CB 3.73Å; T1173-P1193 HydrophobicContact CG2-CG 3.74Å; P1193-K1195 PolarHBondContact O-N 2.94Å |
| 1194 | L | 53 | Low | 51.6 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.2 | -173.5 | -74.1 | 173.6 | 0 | 0 | 0 | 110 | T1171 F1172 K1192 V1196 L1215 K1220 | T1171-L1194 CarbonylContact C-O 3.6Å; T1171-L1194 WeakPolarHBondContact CA-O 3.47Å; F1172-L1194 HydrophobicContact CB-CB 4.35Å; F1172-L1194 HydrophobicContact CD1-CD1 4.48Å; F1172-L1194 PolarHBondContact N-O 2.81Å; F1172-L1194 PolarHBondContact O-N 2.98Å; K1192-L1194 PolarHBondContact O-N 2.88Å; L1194-V1196 PolarHBondContact O-N 2.86Å; L1194-L1215 HydrophobicContact CB-CD1 4.28Å; L1194-L1215 HydrophobicContact CD1-CD1 4.31Å; L1194-K1220 HydrophobicContact CD1-CB 4.1Å; L1194-K1220 HydrophobicContact CD2-CB 4.08Å |
| 1195 | K | 55.2 | Low | 52.3 | Low | 182 Ų | 182 | 67.6 Ų | 67.6 | 79% | 0.791 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 125.9 | 172.6 | -88.5 | -168.1 | 173 | -173.9 | 0 | 110.6 | N1170 P1193 | N1170-K1195 CarbonylContact O-C 3.57Å; N1170-K1195 VanDerWaalsContact O-CA 3.27Å; N1170-K1195 WeakPolarHBondContact O-CA 3.27Å; P1193-K1195 PolarHBondContact O-N 2.94Å |
| 1196 | V | 52 | Low | 52.9 | Low | 22 Ų | 22 | 61 Ų | 61 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -113.1 | 133.1 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | N1170 F1172 L1194 S1200 L1215 | N1170-V1196 WeakPolarHBondContact CB-O 3.32Å; N1170-V1196 PolarHBondContact O-N 2.83Å; N1170-V1196 PolarHBondContact OD1-O 2.91Å; F1172-V1196 HydrophobicContact CB-CG2 3.6Å; L1194-V1196 PolarHBondContact O-N 2.86Å; V1196-S1200 WeakPolarHBondContact CG1-OG 3.35Å; V1196-L1215 HydrophobicContact CG1-CD2 4.11Å; V1196-L1215 HydrophobicContact CG2-CD1 4.39Å; V1196-L1215 HydrophobicContact CG2-CD2 4.26Å | ||
| 1197 | G | 49.6 | Very low | 53.5 | Low | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | trans | -83 | 154.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1199 S1200 | G1197-A1199 PolarHBondContact O-N 3.21Å; G1197-S1200 WeakPolarHBondContact CA-OG 3.25Å; G1197-S1200 PolarHBondContact N-OG 3.46Å; G1197-S1200 WeakPolarHBondContact O-CB 3.47Å; G1197-S1200 PolarHBondContact O-N 3.2Å; G1197-S1200 VanDerWaalsContact O-N 3.08Å; G1197-S1200 PolarHBondContact O-OG 3.27Å | ||
| 1198 | S | 49.1 | Very low | 54.4 | Low | 91 Ų | 91 | 65.8 Ų | 65.8 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 4.8 | -171.2 | 42 | 0 | 0 | 0 | 0 | 117.2 | P1142 | P1142-S1198 VanDerWaalsContact CD-O 3.31Å; P1142-S1198 WeakPolarHBondContact CD-O 3.26Å |
| 1199 | A | 47.1 | Very low | 54.7 | Low | 85 Ų | 85 | 62 Ų | 62 | 70% | 0.702 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.3 | 34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1197 | G1197-A1199 PolarHBondContact O-N 3.21Š|
| 1200 | S | 49.4 | Very low | 55.4 | Low | 16 Ų | 16 | 60.9 Ų | 60.9 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 137.5 | -176.3 | -49 | 0 | 0 | 0 | 0 | 112.7 | V1196 G1197 | V1196-S1200 WeakPolarHBondContact CG1-OG 3.35Å; G1197-S1200 WeakPolarHBondContact CA-OG 3.25Å; G1197-S1200 PolarHBondContact N-OG 3.46Å; G1197-S1200 WeakPolarHBondContact O-CB 3.47Å; G1197-S1200 PolarHBondContact O-N 3.2Å; G1197-S1200 VanDerWaalsContact O-N 3.08Å; G1197-S1200 PolarHBondContact O-OG 3.27Å |
| 1201 | V | 55.9 | Low | 56.2 | Low | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.8 | 165.9 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | K1139 S1216 | K1139-V1201 HydrophobicContact CB-CG2 4.35Å; K1139-V1201 HydrophobicContact CG-CG2 4.24Å; V1201-S1216 PolarHBondContact O-N 2.82Å |
| 1202 | V | 60.9 | Low | 57 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.8 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | V1138 F1140 L1204 V1213 L1215 | V1138-V1202 PolarHBondContact N-O 2.88Å; V1138-V1202 PolarHBondContact O-N 2.76Å; F1140-V1202 HydrophobicContact CD2-CG2 4.38Å; F1140-V1202 HydrophobicContact CE2-CB 4.33Å; F1140-V1202 HydrophobicContact CE2-CG2 3.88Å; V1202-L1204 HydrophobicContact CG1-CD2 4.31Å; V1202-V1213 HydrophobicContact CG1-CG1 3.8Å; V1202-L1215 HydrophobicContact CG2-CD2 3.74Å; V1202-L1215 HydrophobicContact CG2-CG 4.45Å |
| 1203 | K | 63.8 | Low | 57.5 | Low | 54 Ų | 54 | 50.1 Ų | 50.1 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.1 | 170.9 | 177.3 | -174 | -173.8 | 175.5 | 0 | 109.1 | E1135 I1136 F1137 F1214 | E1135-K1203 WeakPolarHBondContact OE1-CE 3.39Å; E1135-K1203 IonicContact OE1-NZ 3.18Å; E1135-K1203 PolarHBondContact OE1-NZ 3.16Å; E1135-K1203 WeakPolarHBondContact OE2-CE 3.44Å; E1135-K1203 IonicContact OE2-NZ 2.72Å; E1135-K1203 PolarHBondContact OE2-NZ 3.4Å; I1136-K1203 CarbonylContact O-C 3.51Å; I1136-K1203 WeakPolarHBondContact O-CA 3.1Å; F1137-K1203 HydrophobicContact CD1-CB 4.14Å; F1137-K1203 HydrophobicContact CD1-CD 4.26Å; F1137-K1203 HydrophobicContact CD1-CG 4.07Å; F1137-K1203 HydrophobicContact CE1-CB 4.26Å; F1137-K1203 HydrophobicContact CE1-CD 3.56Å; F1137-K1203 HydrophobicContact CE1-CG 3.86Å; F1137-K1203 HydrophobicContact CE2-CD 4.5Å; F1137-K1203 HydrophobicContact CZ-CD 3.7Å; F1137-K1203 HydrophobicContact CZ-CG 4.11Å; K1203-F1214 HydrophobicContact CB-CB 4.23Å; K1203-F1214 PolarHBondContact N-O 2.89Å; K1203-F1214 PolarHBondContact O-N 2.93Å |
| 1204 | L | 61.9 | Low | 58 | Low | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.5 | 169.5 | -53.7 | 173.5 | 0 | 0 | 0 | 108.6 | E1135 I1136 L1153 M1163 V1202 V1213 | E1135-L1204 WeakPolarHBondContact CA-O 3.4Å; I1136-L1204 HydrophobicContact CB-CB 4.21Å; I1136-L1204 HydrophobicContact CB-CD1 4.24Å; I1136-L1204 HydrophobicContact CD1-CD1 4.31Å; I1136-L1204 PolarHBondContact N-O 2.68Å; I1136-L1204 PolarHBondContact O-N 2.98Å; L1153-L1204 HydrophobicContact CD1-CD1 4.21Å; M1163-L1204 HydrophobicContact CE-CD1 3.92Å; M1163-L1204 HydrophobicContact CE-CD2 4.41Å; M1163-L1204 HydrophobicContact SD-CD1 3.59Å; M1163-L1204 VanDerWaalsContact SD-CD1 3.59Å; V1202-L1204 HydrophobicContact CG1-CD2 4.31Å; L1204-V1213 HydrophobicContact CD2-CB 4.31Å; L1204-V1213 HydrophobicContact CD2-CG1 4.03Å; L1204-V1213 HydrophobicContact CD2-CG2 3.81Å |
| 1205 | K | 65.2 | Low | 58.2 | Low | 56 Ų | 56 | 47.3 Ų | 47.3 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.8 | 172 | -163.4 | 178.4 | -161.2 | -159.6 | 0 | 110 | E1135 E1207 V1211 Q1212 F1214 | E1135-K1205 HydrophobicContact CG-CG 4.16Å; E1135-K1205 WeakPolarHBondContact OE1-CD 3.49Å; E1135-K1205 WeakPolarHBondContact OE1-CE 3.27Å; K1205-E1207 HydrophobicContact CD-CG 4.19Å; K1205-E1207 WeakPolarHBondContact CE-OE1 3.36Å; K1205-E1207 HydrophobicContact CG-CG 4.12Å; K1205-E1207 IonicContact NZ-OE1 2.68Å; K1205-E1207 PolarHBondContact NZ-OE1 3.32Å; K1205-E1207 IonicContact NZ-OE2 3.61Å; K1205-E1207 PolarHBondContact NZ-OE2 3.3Å; K1205-V1211 CarbonylContact O-C 3.55Å; K1205-V1211 WeakPolarHBondContact O-CA 3.33Å; K1205-Q1212 PolarHBondContact N-O 2.76Å; K1205-Q1212 PolarHBondContact O-N 3.04Å; K1205-F1214 HydrophobicContact CB-CD2 4.47Å; K1205-F1214 HydrophobicContact CB-CE2 3.84Å; K1205-F1214 HydrophobicContact CD-CE2 4.48Å |
| 1206 | L | 64 | Low | 58.5 | Low | 25 Ų | 25 | 42.4 Ų | 42.4 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.5 | 177.3 | -73 | 147.1 | 0 | 0 | 0 | 108.8 | R1134 I1136 T1210 V1211 L1226 V1234 | R1134-L1206 HydrophobicContact CB-CB 4.47Å; R1134-L1206 WeakPolarHBondContact CB-O 3.37Å; R1134-L1206 WeakPolarHBondContact O-CB 3.28Å; R1134-L1206 PolarHBondContact O-N 2.96Å; I1136-L1206 HydrophobicContact CD1-CD1 4.42Å; L1206-T1210 WeakPolarHBondContact CA-O 3.3Å; L1206-V1211 HydrophobicContact CD2-CG2 3.52Å; L1206-V1211 HydrophobicContact CG-CG2 4.34Å; L1206-L1226 HydrophobicContact CD2-CD1 3.96Å; L1206-V1234 HydrophobicContact CD1-CG2 4.38Å |
| 1207 | E | 60.3 | Low | 58.6 | Low | 60 Ų | 60 | 44.8 Ų | 44.8 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131 | -179.5 | -81.6 | -178.6 | 145 | 0 | 0 | 111.3 | K1205 G1209 T1210 K1223 | K1205-E1207 HydrophobicContact CD-CG 4.19Å; K1205-E1207 WeakPolarHBondContact CE-OE1 3.36Å; K1205-E1207 HydrophobicContact CG-CG 4.12Å; K1205-E1207 IonicContact NZ-OE1 2.68Å; K1205-E1207 PolarHBondContact NZ-OE1 3.32Å; K1205-E1207 IonicContact NZ-OE2 3.61Å; K1205-E1207 PolarHBondContact NZ-OE2 3.3Å; E1207-G1209 VanDerWaalsContact C-N 3.29Å; E1207-G1209 PolarHBondContact O-N 2.62Å; E1207-T1210 PolarHBondContact N-O 3.2Å; E1207-T1210 WeakPolarHBondContact O-CA 3.46Å; E1207-T1210 WeakPolarHBondContact O-CB 3.35Å; E1207-T1210 PolarHBondContact O-N 2.92Å; E1207-T1210 PolarHBondContact O-OG1 3.27Å; E1207-K1223 IonicContact OE2-NZ 2.61Å; E1207-K1223 PolarHBondContact OE2-NZ 2.9Å |
| 1208 | N | 62.2 | Low | 58.9 | Low | 157 Ų | 157 | 46.4 Ų | 46.4 | 84% | 0.84 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 48.3 | 171.6 | -59.2 | 3.9 | 0 | 0 | 0 | 113.2 | T1210 | N1208-T1210 VanDerWaalsContact C-N 3.26Å; N1208-T1210 PolarHBondContact O-N 3.13Å |
| 1209 | G | 52.7 | Low | 59 | Low | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 13.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1207 T1225 L1226 | E1207-G1209 VanDerWaalsContact C-N 3.29Å; E1207-G1209 PolarHBondContact O-N 2.62Å; G1209-T1225 CarbonylContact O-C 3.5Å; G1209-T1225 WeakPolarHBondContact O-CA 3.43Å; G1209-L1226 WeakPolarHBondContact O-CB 3.38Å; G1209-L1226 PolarHBondContact O-N 3.23Å |
| 1210 | T | 63.4 | Low | 59.6 | Low | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | L1206 E1207 N1208 K1223 V1224 T1225 | L1206-T1210 WeakPolarHBondContact CA-O 3.3Å; E1207-T1210 PolarHBondContact N-O 3.2Å; E1207-T1210 WeakPolarHBondContact O-CA 3.46Å; E1207-T1210 WeakPolarHBondContact O-CB 3.35Å; E1207-T1210 PolarHBondContact O-N 2.92Å; E1207-T1210 PolarHBondContact O-OG1 3.27Å; N1208-T1210 VanDerWaalsContact C-N 3.26Å; N1208-T1210 PolarHBondContact O-N 3.13Å; T1210-K1223 HydrophobicContact CG2-CB 4.4Å; T1210-K1223 WeakPolarHBondContact OG1-CD 3.23Å; T1210-V1224 CarbonylContact C-O 3.54Å; T1210-V1224 VanDerWaalsContact CA-O 3.29Å; T1210-V1224 WeakPolarHBondContact CA-O 3.49Å; T1210-T1225 HydrophobicContact CG2-CG2 4.34Å |
| 1211 | V | 60.7 | Low | 59.9 | Low | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141 | 167.9 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | W1161 K1205 L1206 K1223 V1224 L1226 | W1161-V1211 HydrophobicContact CH2-CB 3.68Å; W1161-V1211 HydrophobicContact CH2-CG1 3.77Å; W1161-V1211 HydrophobicContact CH2-CG2 3.72Å; W1161-V1211 HydrophobicContact CZ2-CB 4.31Å; W1161-V1211 HydrophobicContact CZ2-CG2 3.97Å; W1161-V1211 HydrophobicContact CZ3-CB 4.1Å; W1161-V1211 HydrophobicContact CZ3-CG1 3.7Å; W1161-V1211 HydrophobicContact CZ3-CG2 4.06Å; K1205-V1211 CarbonylContact O-C 3.55Å; K1205-V1211 WeakPolarHBondContact O-CA 3.33Å; L1206-V1211 HydrophobicContact CD2-CG2 3.52Å; L1206-V1211 HydrophobicContact CG-CG2 4.34Å; V1211-K1223 WeakPolarHBondContact O-CA 3.31Å; V1211-V1224 PolarHBondContact N-O 3.18Å; V1211-V1224 PolarHBondContact O-N 2.81Å; V1211-L1226 HydrophobicContact CG2-CD1 4.17Å; V1211-L1226 HydrophobicContact CG2-CD2 4.03Å; V1211-L1226 HydrophobicContact CG2-CG 4.24Å |
| 1212 | Q | 65.3 | Low | 59.9 | Low | 32 Ų | 32 | 48.4 Ų | 48.4 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.4 | 165.6 | -158.8 | 165.1 | 22.5 | 0 | 0 | 111.9 | K1205 F1214 T1219 S1221 K1223 | K1205-Q1212 PolarHBondContact N-O 2.76Å; K1205-Q1212 PolarHBondContact O-N 3.04Å; Q1212-F1214 HydrophobicContact CB-CE2 4Å; Q1212-F1214 HydrophobicContact CG-CE2 4.05Å; Q1212-F1214 HydrophobicContact CG-CZ 4.35Å; Q1212-T1219 HydrophobicContact CG-CG2 4.27Å; Q1212-T1219 VanDerWaalsContact NE2-CG2 3.3Å; Q1212-S1221 WeakPolarHBondContact CG-O 3.48Å; Q1212-S1221 PolarHBondContact NE2-O 2.88Å; Q1212-K1223 HydrophobicContact CB-CG 4.02Å; Q1212-K1223 HydrophobicContact CG-CG 4.17Å |
| 1213 | V | 64.6 | Low | 59.8 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.3 | -179.9 | -167 | 0 | 0 | 0 | 0 | 110.9 | F1172 V1202 L1204 K1220 S1221 | F1172-V1213 HydrophobicContact CE1-CG1 4.32Å; V1202-V1213 HydrophobicContact CG1-CG1 3.8Å; L1204-V1213 HydrophobicContact CD2-CB 4.31Å; L1204-V1213 HydrophobicContact CD2-CG1 4.03Å; L1204-V1213 HydrophobicContact CD2-CG2 3.81Å; V1213-K1220 PolarHBondContact O-N 2.75Å; V1213-S1221 VanDerWaalsContact CA-OG 3.32Å; V1213-S1221 WeakPolarHBondContact CA-OG 3.35Å; V1213-S1221 VanDerWaalsContact CB-OG 3.29Å; V1213-S1221 WeakPolarHBondContact CB-OG 3.3Å; V1213-S1221 PolarHBondContact N-OG 2.95Å; V1213-S1221 PolarHBondContact O-OG 2.8Å |
| 1214 | F | 60.8 | Low | 59.4 | Low | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.4 | 174.6 | -58.1 | -107.4 | 0 | 0 | 0 | 109.6 | K1203 K1205 Q1212 T1218 T1219 | K1203-F1214 HydrophobicContact CB-CB 4.23Å; K1203-F1214 PolarHBondContact N-O 2.89Å; K1203-F1214 PolarHBondContact O-N 2.93Å; K1205-F1214 HydrophobicContact CB-CD2 4.47Å; K1205-F1214 HydrophobicContact CB-CE2 3.84Å; K1205-F1214 HydrophobicContact CD-CE2 4.48Å; Q1212-F1214 HydrophobicContact CB-CE2 4Å; Q1212-F1214 HydrophobicContact CG-CE2 4.05Å; Q1212-F1214 HydrophobicContact CG-CZ 4.35Å; F1214-T1218 CarbonylContact C-O 3.54Å; F1214-T1218 VanDerWaalsContact CA-O 3.32Å; F1214-T1218 WeakPolarHBondContact CA-O 3.39Å; F1214-T1219 HydrophobicContact CD1-CG2 4.17Å; F1214-T1219 HydrophobicContact CE1-CG2 3.81Å; F1214-T1219 VanDerWaalsContact CE1-OG1 3.24Å; F1214-T1219 WeakPolarHBondContact CE1-OG1 3.32Å; F1214-T1219 HydrophobicContact CZ-CG2 4.21Å |
| 1215 | L | 58.3 | Low | 59.2 | Low | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.7 | 176.9 | -92.2 | 157.6 | 0 | 0 | 0 | 109 | L1194 V1196 V1202 G1217 T1218 K1220 | L1194-L1215 HydrophobicContact CB-CD1 4.28Å; L1194-L1215 HydrophobicContact CD1-CD1 4.31Å; V1196-L1215 HydrophobicContact CG1-CD2 4.11Å; V1196-L1215 HydrophobicContact CG2-CD1 4.39Å; V1196-L1215 HydrophobicContact CG2-CD2 4.26Å; V1202-L1215 HydrophobicContact CG2-CD2 3.74Å; V1202-L1215 HydrophobicContact CG2-CG 4.45Å; L1215-G1217 VanDerWaalsContact C-N 3.27Å; L1215-G1217 PolarHBondContact O-N 2.92Å; L1215-T1218 PolarHBondContact N-O 3.48Å; L1215-T1218 PolarHBondContact O-N 3.37Å; L1215-T1218 PolarHBondContact O-OG1 3.41Å; L1215-K1220 HydrophobicContact CB-CG 4.13Å; L1215-K1220 HydrophobicContact CD1-CB 4.39Å; L1215-K1220 HydrophobicContact CD1-CG 4.25Å |
| 1216 | S | 60.3 | Low | 58.6 | Low | 80 Ų | 80 | 53.4 Ų | 53.4 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 49.4 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 113 | V1201 T1218 | V1201-S1216 PolarHBondContact O-N 2.82Å; S1216-T1218 VanDerWaalsContact C-N 3.27Å; S1216-T1218 PolarHBondContact O-N 2.96Å |
| 1217 | G | 56.1 | Low | 57.7 | Low | 71 Ų | 71 | 55.2 Ų | 55.2 | 73% | 0.732 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -19.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1215 | L1215-G1217 VanDerWaalsContact C-N 3.27Å; L1215-G1217 PolarHBondContact O-N 2.92Å |
| 1218 | T | 55.1 | Low | 56.9 | Low | 76 Ų | 76 | 54.6 Ų | 54.6 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131.3 | -179 | 64.7 | 0 | 0 | 0 | 0 | 113 | F1214 L1215 S1216 K1220 | F1214-T1218 CarbonylContact C-O 3.54Å; F1214-T1218 VanDerWaalsContact CA-O 3.32Å; F1214-T1218 WeakPolarHBondContact CA-O 3.39Å; L1215-T1218 PolarHBondContact N-O 3.48Å; L1215-T1218 PolarHBondContact O-N 3.37Å; L1215-T1218 PolarHBondContact O-OG1 3.41Å; S1216-T1218 VanDerWaalsContact C-N 3.27Å; S1216-T1218 PolarHBondContact O-N 2.96Å; T1218-K1220 PolarHBondContact O-N 2.87Å |
| 1219 | T | 50.8 | Low | 56.1 | Low | 81 Ų | 81 | 56.6 Ų | 56.6 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 122.6 | 173.3 | -37.9 | 0 | 0 | 0 | 0 | 109.9 | Q1212 F1214 | Q1212-T1219 HydrophobicContact CG-CG2 4.27Å; Q1212-T1219 VanDerWaalsContact NE2-CG2 3.3Å; F1214-T1219 HydrophobicContact CD1-CG2 4.17Å; F1214-T1219 HydrophobicContact CE1-CG2 3.81Å; F1214-T1219 VanDerWaalsContact CE1-OG1 3.24Å; F1214-T1219 WeakPolarHBondContact CE1-OG1 3.32Å; F1214-T1219 HydrophobicContact CZ-CG2 4.21Å |
| 1220 | K | 60.6 | Low | 55.8 | Low | 123 Ų | 123 | 59.8 Ų | 59.8 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | trans | -123.6 | -2.6 | -174.8 | -79.4 | -74.5 | -177.4 | 174.3 | 0 | 114.9 | L1194 V1213 L1215 T1218 | L1194-K1220 HydrophobicContact CD1-CB 4.1Å; L1194-K1220 HydrophobicContact CD2-CB 4.08Å; V1213-K1220 PolarHBondContact O-N 2.75Å; L1215-K1220 HydrophobicContact CB-CG 4.13Å; L1215-K1220 HydrophobicContact CD1-CB 4.39Å; L1215-K1220 HydrophobicContact CD1-CG 4.25Å; T1218-K1220 PolarHBondContact O-N 2.87Å | ||
| 1221 | S | 55.5 | Low | 54.6 | Low | 11 Ų | 11 | 61.3 Ų | 61.3 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -139.2 | 154 | -177.9 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | Q1212 V1213 | Q1212-S1221 WeakPolarHBondContact CG-O 3.48Å; Q1212-S1221 PolarHBondContact NE2-O 2.88Å; V1213-S1221 VanDerWaalsContact CA-OG 3.32Å; V1213-S1221 WeakPolarHBondContact CA-OG 3.35Å; V1213-S1221 VanDerWaalsContact CB-OG 3.29Å; V1213-S1221 WeakPolarHBondContact CB-OG 3.3Å; V1213-S1221 PolarHBondContact N-OG 2.95Å; V1213-S1221 PolarHBondContact O-OG 2.8Å |
| 1222 | P | 56.1 | Low | 53.6 | Low | 73 Ų | 73 | 67.9 Ų | 67.9 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | trans | -67 | 158.8 | 168.2 | 30.7 | -35.5 | 0 | 0 | 0 | 111 | V1224 | P1222-V1224 HydrophobicContact CG-CG2 4.29Å; P1222-V1224 PolarHBondContact O-N 2.75Å | ||
| 1223 | K | 58.2 | Low | 52.4 | Low | 96 Ų | 96 | 72.4 Ų | 72.4 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | trans | -67.5 | 125 | 165 | -79.5 | -169.4 | 165.1 | -163.3 | 0 | 109 | E1207 T1210 V1211 Q1212 | E1207-K1223 IonicContact OE2-NZ 2.61Å; E1207-K1223 PolarHBondContact OE2-NZ 2.9Å; T1210-K1223 HydrophobicContact CG2-CB 4.4Å; T1210-K1223 WeakPolarHBondContact OG1-CD 3.23Å; V1211-K1223 WeakPolarHBondContact O-CA 3.31Å; Q1212-K1223 HydrophobicContact CB-CG 4.02Å; Q1212-K1223 HydrophobicContact CG-CG 4.17Å | ||
| 1224 | V | 55.8 | Low | 51.1 | Low | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.085 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.1 | 179.5 | 177 | 0 | 0 | 0 | 0 | 109.7 | F1186 A1189 L1190 T1210 V1211 P1222 | F1186-V1224 HydrophobicContact CD1-CG1 3.96Å; F1186-V1224 HydrophobicContact CE1-CG1 3.94Å; A1189-V1224 HydrophobicContact CB-CG1 4.11Å; A1189-V1224 HydrophobicContact CB-CG2 4.36Å; L1190-V1224 HydrophobicContact CD2-CB 4.31Å; L1190-V1224 HydrophobicContact CD2-CG2 3.63Å; L1190-V1224 HydrophobicContact CG-CG2 4.06Å; T1210-V1224 CarbonylContact C-O 3.54Å; T1210-V1224 VanDerWaalsContact CA-O 3.29Å; T1210-V1224 WeakPolarHBondContact CA-O 3.49Å; V1211-V1224 PolarHBondContact N-O 3.18Å; V1211-V1224 PolarHBondContact O-N 2.81Å; P1222-V1224 HydrophobicContact CG-CG2 4.29Å; P1222-V1224 PolarHBondContact O-N 2.75Å |
| 1225 | T | 57.6 | Low | 50 | Low | 96 Ų | 96 | 75 Ų | 75 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.2 | -178.2 | -33.8 | 0 | 0 | 0 | 0 | 112.1 | F1186 G1209 T1210 | F1186-T1225 WeakPolarHBondContact CE1-O 3.37Å; G1209-T1225 CarbonylContact O-C 3.5Å; G1209-T1225 WeakPolarHBondContact O-CA 3.43Å; T1210-T1225 HydrophobicContact CG2-CG2 4.34Å |
| 1226 | L | 51.8 | Low | 48.7 | Very low | 20 Ų | 20 | 78.8 Ų | 78.8 | 11% | 0.105 | 46% | 0.461 | C | S | . | . | trans | -83.7 | 148.3 | 178.9 | -68.1 | 169.6 | 0 | 0 | 0 | 111.8 | I1155 W1161 L1206 G1209 V1211 V1231 | I1155-L1226 HydrophobicContact CD1-CD2 4.27Å; W1161-L1226 VanDerWaalsContact CE2-CD2 3.45Å; W1161-L1226 HydrophobicContact CH2-CD2 4.47Å; W1161-L1226 HydrophobicContact CZ2-CD2 3.37Å; L1206-L1226 HydrophobicContact CD2-CD1 3.96Å; G1209-L1226 WeakPolarHBondContact O-CB 3.38Å; G1209-L1226 PolarHBondContact O-N 3.23Å; V1211-L1226 HydrophobicContact CG2-CD1 4.17Å; V1211-L1226 HydrophobicContact CG2-CD2 4.03Å; V1211-L1226 HydrophobicContact CG2-CG 4.24Å; L1226-V1231 HydrophobicContact CD1-CG2 3.57Å | ||
| 1227 | P | 45.8 | Very low | 47.4 | Very low | 62 Ų | 62 | 78.8 Ų | 78.8 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -85.2 | 108.4 | 169 | 32.7 | -27.6 | 0 | 0 | 0 | 110.1 | F1186 | F1186-P1227 HydrophobicContact CE2-CG 4.24Å; F1186-P1227 HydrophobicContact CZ-CG 4.06Å |
| 1228 | G | 43.8 | Very low | 46 | Very low | 47 Ų | 47 | 78.3 Ų | 78.3 | 49% | 0.485 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 128.9 | 129.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1230 | G1228-T1230 PolarHBondContact O-N 2.74Š|
| 1229 | E | 44.2 | Very low | 44.5 | Very low | 199 Ų | 199 | 81.9 Ų | 81.9 | 93% | 0.93 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -71.9 | -26.4 | -161.1 | -62.7 | -172 | 124.4 | 0 | 0 | 114.5 | ||
| 1230 | T | 46.1 | Very low | 43.2 | Very low | 98 Ų | 98 | 84.2 Ų | 84.2 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | trans | -142.4 | 126.9 | 175.2 | 40.2 | 0 | 0 | 0 | 0 | 112.9 | G1228 H1232 | G1228-T1230 PolarHBondContact O-N 2.74Å; T1230-H1232 VanDerWaalsContact CB-NE2 3.27Å; T1230-H1232 WeakPolarHBondContact CB-NE2 3.4Å; T1230-H1232 PolarHBondContact O-N 2.86Å; T1230-H1232 PolarHBondContact OG1-CD2 3.26Å; T1230-H1232 VanDerWaalsContact OG1-CD2 3.25Å; T1230-H1232 PolarHBondContact OG1-NE2 2.89Å | ||
| 1231 | V | 39.6 | Very low | 41.4 | Very low | 53 Ų | 53 | 85.3 Ų | 85.3 | 32% | 0.321 | 50% | 0.495 | S | S | . | . | trans | -83.1 | 108.1 | 164.9 | 177.1 | 0 | 0 | 0 | 0 | 108 | I1155 L1226 V1234 | I1155-V1231 HydrophobicContact CG2-CB 4.36Å; I1155-V1231 HydrophobicContact CG2-CG1 4.03Å; I1155-V1231 HydrophobicContact CG2-CG2 3.71Å; L1226-V1231 HydrophobicContact CD1-CG2 3.57Å; V1231-V1234 HydrophobicContact CG1-CG2 3.79Å | ||
| 1232 | H | 40.3 | Very low | 39.8 | Very low | 145 Ų | 145 | 89.5 Ų | 89.5 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | trans | -94.1 | -30.4 | 179.2 | -76.1 | -81.4 | 0 | 0 | 0 | 113.5 | T1230 | T1230-H1232 VanDerWaalsContact CB-NE2 3.27Å; T1230-H1232 WeakPolarHBondContact CB-NE2 3.4Å; T1230-H1232 PolarHBondContact O-N 2.86Å; T1230-H1232 PolarHBondContact OG1-CD2 3.26Å; T1230-H1232 VanDerWaalsContact OG1-CD2 3.25Å; T1230-H1232 PolarHBondContact OG1-NE2 2.89Å | ||
| 1233 | H | 38.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 95.8 Ų | 95.8 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | trans | -142.9 | 160.8 | 175.1 | -77.9 | -80.9 | 0 | 0 | 0 | 110.3 | ||||
| 1234 | V | 38.5 | Very low | 36.4 | Very low | 50 Ų | 50 | 94.9 Ų | 94.9 | 30% | 0.303 | 57% | 0.565 | S | S | . | * | trans | -134.6 | 118.2 | 168 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | I1136 L1153 E1154 L1206 V1231 | I1136-V1234 HydrophobicContact CD1-CG1 4.36Å; L1153-V1234 HydrophobicContact CB-CG1 4.07Å; L1153-V1234 HydrophobicContact CD2-CG1 3.77Å; L1153-V1234 HydrophobicContact CG-CG1 4.45Å; E1154-V1234 WeakPolarHBondContact O-CA 3.44Å; L1206-V1234 HydrophobicContact CD1-CG2 4.38Å; V1231-V1234 HydrophobicContact CG1-CG2 3.79Å | ||
| 1235 | A | 37.7 | Very low | 34.7 | Very low | 45 Ų | 45 | 98.8 Ų | 98.8 | 37% | 0.372 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | L1153 E1154 | L1153-A1235 CarbonylContact C-O 3.59Å; L1153-A1235 WeakPolarHBondContact CA-O 3.41Å; E1154-A1235 HydrophobicContact CB-CB 4.36Å; E1154-A1235 PolarHBondContact N-O 2.88Å; E1154-A1235 PolarHBondContact O-N 3.07Å |
| 1236 | L | 31.6 | Very low | 32.9 | Very low | 89 Ų | 89 | 105.9 Ų | 105.9 | 47% | 0.466 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.2 | 176.5 | -83.9 | 153.8 | 0 | 0 | 0 | 109.8 | L1127 L1151 L1153 | L1127-L1236 HydrophobicContact CD1-CD1 3.83Å; L1127-L1236 HydrophobicContact CD1-CD2 3.96Å; L1127-L1236 HydrophobicContact CD2-CD1 3.72Å; L1127-L1236 HydrophobicContact CG-CD1 4.44Å; L1151-L1236 HydrophobicContact CD2-CD2 3.68Å; L1153-L1236 HydrophobicContact CD2-CD2 3.46Å; L1153-L1236 VanDerWaalsContact CD2-CD2 3.46Å; L1153-L1236 HydrophobicContact CD2-CG 3.82Å |
| 1237 | I | 32.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 41% | 0.405 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 97.4 | 178.1 | -57.6 | -177.6 | 0 | 0 | 0 | 109.4 | D1152 E1154 | D1152-I1237 PolarHBondContact O-N 3.46Å; D1152-I1237 VanDerWaalsContact O-N 3.17Å; E1154-I1237 HydrophobicContact CB-CD1 4.08Å |
| 1238 | G | 26.3 | Very low | 30.3 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -93.4 | 123.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1240 | G1238-V1240 VanDerWaalsContact C-N 3.34Å; G1238-V1240 PolarHBondContact O-N 2.74Å | ||
| 1239 | N | 24.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | trans | -70 | 84 | 176.9 | -88.4 | -54.4 | 0 | 0 | 0 | 112 | ||||
| 1240 | V | 23.5 | Very low | 28.1 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 78% | 0.782 | 67% | 0.669 | S | S | * | * | trans | -97.9 | 119.4 | 166.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | G1238 S1242 | G1238-V1240 VanDerWaalsContact C-N 3.34Å; G1238-V1240 PolarHBondContact O-N 2.74Å; V1240-S1242 PolarHBondContact O-N 2.56Å | ||
| 1241 | V | 21.7 | Very low | 26.9 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | trans | -77 | 92.5 | -167.9 | -176.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1242 | S | 22 | Very low | 25.9 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -155.7 | 143.9 | 153.5 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | V1240 | V1240-S1242 PolarHBondContact O-N 2.56Š| ||
| 1243 | H | 21.7 | Very low | 25 | Very low | 204 Ų | 204 | 125.7 Ų | 125.7 | 94% | 0.944 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -81.6 | 133 | -177.2 | -70.3 | -12.5 | 0 | 0 | 0 | 112.3 | ||
| 1244 | G | 21.2 | Very low | 24 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | 134.5 | -30.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | R1246 | G1244-R1246 PolarHBondContact O-N 3.19Š| ||
| 1245 | A | 20.6 | Very low | 23.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -86.5 | 76.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1247 | A1245-S1247 PolarHBondContact O-N 2.65Å; A1245-S1247 VanDerWaalsContact O-N 3.12Å | ||
| 1246 | R | 20.3 | Very low | 22.5 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -77.5 | 81.9 | 163 | -86.7 | -177.5 | 162.4 | -178.4 | -7.6 | 110.7 | G1244 K1248 | G1244-R1246 PolarHBondContact O-N 3.19Å; R1246-K1248 PolarHBondContact O-N 2.65Å | ||
| 1247 | S | 20.4 | Very low | 22.1 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 88.6 | 173.8 | 57 | 0 | 0 | 0 | 0 | 111.6 | A1245 L1249 | A1245-S1247 PolarHBondContact O-N 2.65Å; A1245-S1247 VanDerWaalsContact O-N 3.12Å; S1247-L1249 PolarHBondContact O-N 3.48Å; S1247-L1249 VanDerWaalsContact O-N 3.08Å | ||
| 1248 | K | 21.3 | Very low | 21.5 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -65.3 | 104.1 | 168.2 | -77.4 | -171 | 171.7 | -169.2 | 0 | 110.1 | R1246 | R1246-K1248 PolarHBondContact O-N 2.65Š| ||
| 1249 | L | 20 | Very low | 21.5 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | -93.9 | 147.9 | 163.4 | -88.6 | 161.4 | 0 | 0 | 0 | 109.7 | S1247 | S1247-L1249 PolarHBondContact O-N 3.48Å; S1247-L1249 VanDerWaalsContact O-N 3.08Å | ||
| 1250 | F | 23.2 | Very low | 21.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 66.3 | 112.1 | 177.5 | -50.8 | -69.6 | 0 | 0 | 0 | 116.9 | ||||
| 1251 | S | 19.7 | Very low | 21.3 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -149.2 | 143.6 | 160.6 | 61.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1252 | Q | 19.9 | Very low | 21.3 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 69.7 | 82.1 | 175.9 | -56.3 | -175.8 | -12.8 | 0 | 0 | 116.7 | ||||
| 1253 | S | 20 | Very low | 21.3 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -141.5 | 115.2 | 135 | 62.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1254 | E | 18.8 | Very low | 21.3 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 150.2 | 175.9 | -151.7 | -166.7 | -110.9 | 0 | 0 | 111.2 | ||||
| 1255 | Q | 22.5 | Very low | 21.3 | Very low | 152 Ų | 152 | 155 Ų | 155 | 71% | 0.71 | 80% | 0.803 | S | S | * | * | trans | 86.5 | 128.5 | 164.9 | -47.3 | -164 | 6.5 | 0 | 0 | 119.4 | ||||
| 1256 | Q | 22.5 | Very low | 21.4 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 85.1 | 64 | 161.3 | -47.4 | -157.4 | 12.3 | 0 | 0 | 119.8 | ||||
| 1257 | L | 22 | Very low | 21.4 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 146.6 | 130.6 | -79.3 | 77 | 0 | 0 | 0 | 110.2 | ||||
| 1258 | K | 20.6 | Very low | 21.4 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -174.7 | 157.2 | 133.4 | -110.4 | 167.3 | -176.3 | 175.4 | 0 | 113.9 | ||||
| 1259 | K | 25.9 | Very low | 21.4 | Very low | 196 Ų | 196 | 157.9 Ų | 157.9 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | 74.6 | 127.5 | 172.9 | -66.9 | -178.9 | 178.2 | -175.3 | 0 | 114.7 | ||||
| 1260 | S | 22.2 | Very low | 21.4 | Very low | 96 Ų | 96 | 157.7 Ų | 157.7 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | cis | 116.1 | 142.8 | 18.8 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1261 | L | 20.5 | Very low | 21.3 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 72% | 0.723 | 83% | 0.825 | S | S | * | * | cis | -158.6 | 179.7 | -3.8 | -137.8 | 75.8 | 0 | 0 | 0 | 108 | ||||
| 1262 | E | 22 | Very low | 21.4 | Very low | 166 Ų | 166 | 156 Ų | 156 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | 71.1 | 134 | 149 | -78.3 | 156.9 | -175.7 | 0 | 0 | 124.5 | ||||
| 1263 | S | 22.3 | Very low | 21.5 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 104.5 | 110.6 | 136.3 | 67.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1264 | E | 21.6 | Very low | 21.6 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 79.2 | 132.2 | 130.8 | -66.8 | -171.4 | 167.7 | 0 | 0 | 126.1 | ||||
| 1265 | S | 21.3 | Very low | 21.9 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 77.8 | 127.4 | 154.7 | 71.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1266 | P | 22 | Very low | 21.8 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -102.9 | 152.4 | 171.3 | 38.2 | -31.6 | 0 | 0 | 0 | 112.9 | ||||
| 1267 | Q | 21 | Very low | 21.8 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -146.2 | 141.5 | 163.5 | -146.9 | 171.8 | -10.6 | 0 | 0 | 109.3 | ||||
| 1268 | E | 20.6 | Very low | 21.8 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -89.1 | 125.6 | -175.6 | -62.6 | 173.3 | 109.8 | 0 | 0 | 111.5 | ||||
| 1269 | E | 20.7 | Very low | 21.8 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -157.5 | 117.7 | 145.6 | -125.6 | 172 | -168.7 | 0 | 0 | 113.6 | ||||
| 1270 | V | 20.3 | Very low | 21.7 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | 22.7 | 126.4 | 154.3 | -170.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1271 | D | 20.7 | Very low | 21.7 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -8 | 130.6 | 159.2 | -65.3 | -51 | 0 | 0 | 0 | 120.3 | ||||
| 1272 | G | 22.7 | Very low | 21.7 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -161.3 | 45.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1273 | S | 21.1 | Very low | 21.7 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 32 | 104.2 | 154.2 | -175.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1274 | D | 23.3 | Very low | 21.9 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 72.5 | 140.6 | 130.3 | -47.8 | -43 | 0 | 0 | 0 | 124 | ||||
| 1275 | D | 24.2 | Very low | 22.1 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 60.7 | 58.7 | 144.1 | -64.7 | -2.4 | 0 | 0 | 0 | 120.9 | M1277 | D1275-M1277 HydrophobicContact CB-CG 4.39Å; D1275-M1277 PolarHBondContact O-N 3.38Å | ||
| 1276 | L | 20.9 | Very low | 22.4 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 95% | 0.948 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 61.1 | 146.6 | -104 | 167.3 | 0 | 0 | 0 | 111.4 | E1278 | L1276-E1278 PolarHBondContact O-N 2.8Š| ||
| 1277 | M | 21.9 | Very low | 22.6 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -54.7 | 131.6 | 177.6 | -94.7 | -82.7 | -166 | 0 | 0 | 112.4 | D1275 W1279 | D1275-M1277 HydrophobicContact CB-CG 4.39Å; D1275-M1277 PolarHBondContact O-N 3.38Å; M1277-W1279 PolarHBondContact O-N 3.03Å | ||
| 1278 | E | 22.4 | Very low | 23.3 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -64.5 | 131 | -179 | -60.6 | -174.7 | 126.3 | 0 | 0 | 111.5 | L1276 E1280 | L1276-E1278 PolarHBondContact O-N 2.8Å; E1278-E1280 PolarHBondContact O-N 2.93Å | ||
| 1279 | W | 21.1 | Very low | 23.7 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | trans | -82.7 | 110.9 | 176.1 | -89.4 | 51.5 | 0 | 0 | 0 | 110.6 | M1277 K1314 L1315 | M1277-W1279 PolarHBondContact O-N 3.03Å; W1279-K1314 HydrophobicContact CH2-CB 4.07Å; W1279-K1314 HydrophobicContact CH2-CD 4.37Å; W1279-L1315 HydrophobicContact CH2-CB 4.01Å; W1279-L1315 HydrophobicContact CH2-CD1 4.42Å; W1279-L1315 HydrophobicContact CH2-CD2 4.17Å; W1279-L1315 HydrophobicContact CH2-CG 4.45Å; W1279-L1315 HydrophobicContact CZ3-CB 4.21Å; W1279-L1315 HydrophobicContact CZ3-CD2 4.2Å | ||
| 1280 | E | 22.5 | Very low | 24.2 | Very low | 190 Ų | 190 | 125.5 Ų | 125.5 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -50.3 | 137.3 | 174.2 | -64.8 | -177.8 | 116.1 | 0 | 0 | 112.3 | E1278 A1282 | E1278-E1280 PolarHBondContact O-N 2.93Å; E1280-A1282 PolarHBondContact O-N 3.08Å | ||
| 1281 | A | 22.1 | Very low | 24.7 | Very low | 103 Ų | 103 | 123 Ų | 123 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | trans | -77.2 | 77.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1283 | A1281-E1283 PolarHBondContact O-N 3Š| ||
| 1282 | A | 21.8 | Very low | 25.1 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -60.8 | 123 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1280 | E1280-A1282 PolarHBondContact O-N 3.08Š| ||
| 1283 | E | 21.5 | Very low | 25.6 | Very low | 181 Ų | 181 | 122.3 Ų | 122.3 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | trans | -52.5 | 122.8 | -172.1 | -65.8 | -173 | 138.4 | 0 | 0 | 112.5 | A1281 L1285 | A1281-E1283 PolarHBondContact O-N 3Å; E1283-L1285 PolarHBondContact O-N 3.25Å | ||
| 1284 | P | 25.8 | Very low | 26.1 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -75.9 | 88.7 | -174.4 | 29.5 | -34.7 | 0 | 0 | 0 | 111.2 | L1286 | P1284-L1286 PolarHBondContact O-N 3.23Š| ||
| 1285 | L | 25.4 | Very low | 26.5 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | trans | -46 | 108.4 | 173.1 | -78.4 | 171 | 0 | 0 | 0 | 111.2 | E1283 R1410 | E1283-L1285 PolarHBondContact O-N 3.25Å; L1285-R1410 PolarHBondContact O-NH1 3.01Å; L1285-R1410 VanDerWaalsContact O-NH1 3.11Å; L1285-R1410 PolarHBondContact O-NH2 3.42Å | ||
| 1286 | L | 27.7 | Very low | 26.8 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | trans | -33.6 | 126.5 | -168.1 | -74.9 | 166.3 | 0 | 0 | 0 | 113.5 | P1284 I1288 R1410 | P1284-L1286 PolarHBondContact O-N 3.23Å; L1286-I1288 PolarHBondContact O-N 3.17Å; L1286-R1410 PolarHBondContact O-NH2 2.79Å | ||
| 1287 | P | 27.6 | Very low | 27.5 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 44% | 0.442 | 65% | 0.647 | S | S | . | * | trans | -65.4 | 120 | -174.5 | 26.4 | -34.3 | 0 | 0 | 0 | 111 | L1289 T1402 | P1287-L1289 PolarHBondContact O-N 3.08Å; P1287-L1289 VanDerWaalsContact O-N 3.14Å; P1287-T1402 HydrophobicContact CB-CG2 3.77Å | ||
| 1288 | I | 34.2 | Very low | 28.2 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 34% | 0.338 | 65% | 0.647 | S | S | . | * | trans | -60.9 | 118 | 178.9 | -64.3 | -179.3 | 0 | 0 | 0 | 109.2 | L1286 V1290 T1402 R1410 | L1286-I1288 PolarHBondContact O-N 3.17Å; I1288-V1290 PolarHBondContact O-N 2.67Å; I1288-T1402 WeakPolarHBondContact O-CG2 3.39Å; I1288-R1410 HydrophobicContact CD1-CG 3.75Å | ||
| 1289 | L | 29.4 | Very low | 29 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | trans | -101.9 | 86.4 | -163.9 | -168.7 | 121.4 | 0 | 0 | 0 | 110.9 | P1287 T1291 K1400 | P1287-L1289 PolarHBondContact O-N 3.08Å; P1287-L1289 VanDerWaalsContact O-N 3.14Å; L1289-T1291 HydrophobicContact CD2-CG2 3.54Å; L1289-T1291 HydrophobicContact CG-CG2 3.99Å; L1289-T1291 PolarHBondContact O-N 3.32Å; L1289-K1400 HydrophobicContact CD1-CD 4.21Å | ||
| 1290 | V | 31.9 | Very low | 30.2 | Very low | 37 Ų | 37 | 103 Ų | 103 | 22% | 0.224 | 59% | 0.593 | C | S | . | * | B | Isolated β-bridge | trans | -78.7 | 101.3 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | I1288 I1412 I1414 | I1288-V1290 PolarHBondContact O-N 2.67Å; V1290-I1412 HydrophobicContact CG2-CB 3.93Å; V1290-I1412 HydrophobicContact CG2-CG2 4.13Å; V1290-I1414 HydrophobicContact CG1-CD1 4.05Å; V1290-I1414 HydrophobicContact CG1-CG1 4.15Å |
| 1291 | T | 30 | Very low | 31.8 | Very low | 77 Ų | 77 | 95 Ų | 95 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | trans | -120.6 | 88.5 | 174.3 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | L1289 | L1289-T1291 HydrophobicContact CD2-CG2 3.54Å; L1289-T1291 HydrophobicContact CG-CG2 3.99Å; L1289-T1291 PolarHBondContact O-N 3.32Å | ||
| 1292 | N | 29 | Very low | 34.1 | Very low | 137 Ų | 137 | 90.1 Ų | 90.1 | 73% | 0.733 | 52% | 0.515 | S | S | * | . | trans | -172.7 | 131 | 156.6 | -105.6 | -37.7 | 0 | 0 | 0 | 111.9 | ||||
| 1293 | T | 32.9 | Very low | 36.3 | Very low | 88 Ų | 88 | 86.4 Ų | 86.4 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | -177.1 | 129.7 | 125.2 | 24.3 | 0 | 0 | 0 | 0 | 109.7 | K1301 | T1293-K1301 PolarHBondContact OG1-NZ 2.77Å; T1293-K1301 VanDerWaalsContact OG1-NZ 3.08Å | |||
| 1294 | T | 31.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 78.2 Ų | 78.2 | 73% | 0.73 | 45% | 0.447 | S | S | * | . | trans | -76.9 | 142 | -179.9 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | S1296 | T1294-S1296 PolarHBondContact O-N 3.26Š| ||
| 1295 | E | 31.6 | Very low | 40.9 | Very low | 203 Ų | 203 | 72.6 Ų | 72.6 | 95% | 0.949 | 41% | 0.41 | S | S | * | . | trans | 37.9 | 72.4 | 146.5 | -61 | -177.4 | 168.6 | 0 | 0 | 117.2 | ||||
| 1296 | S | 31.2 | Very low | 43.3 | Very low | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | trans | -146.1 | 107.7 | 162.7 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | T1294 | T1294-S1296 PolarHBondContact O-N 3.26Š| ||
| 1297 | S | 36 | Very low | 45.6 | Very low | 80 Ų | 80 | 62.9 Ų | 62.9 | 56% | 0.559 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -94.2 | -13.3 | -162.7 | 62.5 | 0 | 0 | 0 | 0 | 115.7 | Y1586 | S1297-Y1586 VanDerWaalsContact CB-OH 3.27Å; S1297-Y1586 WeakPolarHBondContact CB-OH 3.12Å; S1297-Y1586 PolarHBondContact OG-OH 2.94Å; S1297-Y1586 VanDerWaalsContact OG-OH 3.09Å |
| 1298 | N | 36.4 | Very low | 48 | Very low | 133 Ų | 133 | 63.8 Ų | 63.8 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -125.5 | 5.3 | -171.8 | -71.2 | 44 | 0 | 0 | 0 | 113.2 | ||
| 1299 | A | 38.5 | Very low | 50.2 | Low | 31 Ų | 31 | 60.7 Ų | 60.7 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.6 | 140.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1301 D1416 | A1299-K1301 PolarHBondContact O-N 2.93Å; A1299-D1416 HydrophobicContact CB-CB 3.87Å |
| 1300 | T | 47 | Very low | 52.3 | Low | 22 Ų | 22 | 59.6 Ų | 59.6 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 109.3 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 107.7 | M1373 K1374 L1417 | T1300-M1373 CarbonylContact C-O 3.58Å; T1300-M1373 WeakPolarHBondContact CA-O 3.15Å; T1300-M1373 WeakPolarHBondContact CG2-O 3.29Å; T1300-K1374 HydrophobicContact CG2-CB 4.28Å; T1300-L1417 WeakPolarHBondContact CB-O 3.39Å; T1300-L1417 PolarHBondContact N-O 3.16Å; T1300-L1417 PolarHBondContact O-N 3.12Å |
| 1301 | K | 56.9 | Low | 54 | Low | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.096 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.1 | -177.3 | -68.5 | -151 | 173.2 | -160 | 0 | 110.9 | T1293 A1299 M1373 I1414 E1415 D1416 | T1293-K1301 PolarHBondContact OG1-NZ 2.77Å; T1293-K1301 VanDerWaalsContact OG1-NZ 3.08Å; A1299-K1301 PolarHBondContact O-N 2.93Å; K1301-M1373 HydrophobicContact CB-CE 4.05Å; K1301-M1373 PolarHBondContact N-O 3.13Å; K1301-M1373 WeakPolarHBondContact O-CB 3.31Å; K1301-M1373 WeakPolarHBondContact O-CE 3.35Å; K1301-M1373 PolarHBondContact O-N 3.42Å; K1301-I1414 HydrophobicContact CD-CG2 4.35Å; K1301-E1415 WeakPolarHBondContact CA-O 3.48Å; K1301-D1416 WeakPolarHBondContact CE-OD1 3.13Å; K1301-D1416 IonicContact NZ-OD1 2.67Å |
| 1302 | T | 69.3 | Low | 55.8 | Low | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.2 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | E1370 A1371 R1372 I1414 E1415 L1417 | T1302-E1370 HydrophobicContact CG2-CB 4.01Å; T1302-E1370 HydrophobicContact CG2-CG 4.45Å; T1302-A1371 WeakPolarHBondContact CA-O 3.22Å; T1302-R1372 HydrophobicContact CG2-CG 3.86Å; T1302-I1414 CarbonylContact O-C 3.56Å; T1302-I1414 WeakPolarHBondContact O-CA 3.41Å; T1302-E1415 PolarHBondContact N-O 2.8Å; T1302-E1415 PolarHBondContact O-N 3.06Å; T1302-L1417 VanDerWaalsContact OG1-CD1 3.22Å; T1302-L1417 WeakPolarHBondContact OG1-CD1 3.46Å |
| 1303 | V | 67.4 | Low | 57.4 | Low | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.9 | 168 | 175 | 0 | 0 | 0 | 0 | 107.3 | L1320 E1370 A1371 M1373 A1401 I1412 T1413 I1414 | V1303-L1320 HydrophobicContact CG1-CD2 4.32Å; V1303-L1320 HydrophobicContact CG2-CD2 4.48Å; V1303-E1370 CarbonylContact O-C 3.56Å; V1303-E1370 WeakPolarHBondContact O-CA 3.3Å; V1303-A1371 HydrophobicContact CB-CB 4.46Å; V1303-A1371 PolarHBondContact N-O 3.21Å; V1303-A1371 PolarHBondContact O-N 2.58Å; V1303-M1373 HydrophobicContact CG2-CE 3.57Å; V1303-A1401 HydrophobicContact CG1-CB 3.62Å; V1303-A1401 HydrophobicContact CG2-CB 4.36Å; V1303-I1412 HydrophobicContact CG1-CG2 4.11Å; V1303-T1413 WeakPolarHBondContact CA-O 3.48Å; V1303-I1414 HydrophobicContact CG2-CD1 4.48Å; V1303-I1414 HydrophobicContact CG2-CG1 4.2Å; V1303-I1414 HydrophobicContact CG2-CG2 4.39Å |
| 1304 | T | 74.8 | Confident | 59.4 | Low | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.2 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | V1306 K1368 L1369 E1370 I1412 T1413 | T1304-V1306 HydrophobicContact CG2-CG2 4.11Å; T1304-K1368 HydrophobicContact CG2-CG 4.05Å; T1304-L1369 CarbonylContact C-O 3.3Å; T1304-L1369 WeakPolarHBondContact CA-O 3.23Å; T1304-E1370 HydrophobicContact CG2-CG 4.18Å; T1304-I1412 CarbonylContact O-C 3.59Å; T1304-I1412 WeakPolarHBondContact O-CA 3.47Å; T1304-T1413 PolarHBondContact N-O 3.32Å; T1304-T1413 PolarHBondContact O-N 3.41Å; T1304-T1413 PolarHBondContact O-OG1 2.9Å |
| 1305 | A | 70.4 | Confident | 61.6 | Low | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1369 M1403 S1411 I1412 | A1305-L1369 PolarHBondContact N-O 3.29Å; A1305-L1369 PolarHBondContact O-N 3.32Å; A1305-M1403 HydrophobicContact CB-CE 3.99Å; A1305-M1403 HydrophobicContact CB-SD 3.75Å; A1305-S1411 WeakPolarHBondContact CA-O 3.45Å; A1305-I1412 HydrophobicContact CB-CG1 4.25Å |
| 1306 | V | 74.6 | Confident | 63.7 | Low | 59 Ų | 59 | 50 Ų | 50 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138 | -177.3 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | T1304 F1367 K1368 R1410 S1411 | T1304-V1306 HydrophobicContact CG2-CG2 4.11Å; V1306-F1367 WeakPolarHBondContact CA-O 3.44Å; V1306-F1367 WeakPolarHBondContact CG1-O 3.49Å; V1306-K1368 HydrophobicContact CG2-CG 4.14Å; V1306-R1410 CarbonylContact O-C 3.59Å; V1306-R1410 VanDerWaalsContact O-CA 3.26Å; V1306-R1410 WeakPolarHBondContact O-CA 3.41Å; V1306-S1411 PolarHBondContact N-O 3.08Å; V1306-S1411 PolarHBondContact O-N 3.24Å |
| 1307 | G | 77.3 | Confident | 65.9 | Low | 9 Ų | 9 | 51.5 Ų | 51.5 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1367 G1409 | G1307-F1367 PolarHBondContact N-O 3.38Å; G1307-F1367 VanDerWaalsContact O-CD1 3.25Å; G1307-F1367 WeakPolarHBondContact O-CD1 3.06Å; G1307-F1367 PolarHBondContact O-N 2.96Å; G1307-G1409 WeakPolarHBondContact CA-O 3.22Å |
| 1308 | K | 77.4 | Confident | 67.6 | Low | 87 Ų | 87 | 48.1 Ų | 48.1 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | 173.9 | -164.3 | -172.8 | 178.6 | -169.2 | 0 | 110.1 | G1364 D1365 I1407 Q1408 G1409 | K1308-G1364 WeakPolarHBondContact CE-O 3.32Å; K1308-G1364 WeakPolarHBondContact CG-O 3.01Å; K1308-D1365 CarbonylContact C-O 3.56Å; K1308-D1365 VanDerWaalsContact CA-O 3.28Å; K1308-D1365 WeakPolarHBondContact CA-O 3.3Å; K1308-D1365 WeakPolarHBondContact CG-O 3.34Å; K1308-I1407 CarbonylContact O-C 3.6Å; K1308-I1407 VanDerWaalsContact O-CA 3.29Å; K1308-I1407 WeakPolarHBondContact O-CA 3.33Å; K1308-I1407 WeakPolarHBondContact O-CG2 3.22Å; K1308-Q1408 WeakPolarHBondContact CB-O 3.41Å; K1308-Q1408 PolarHBondContact N-O 2.91Å; K1308-Q1408 PolarHBondContact O-N 3.02Å; K1308-G1409 PolarHBondContact N-O 3.27Å |
| 1309 | V | 79.7 | Confident | 69.6 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136.6 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | I1316 L1334 L1361 A1362 G1364 D1365 F1367 | V1309-I1316 HydrophobicContact CG2-CD1 3.99Å; V1309-L1334 HydrophobicContact CG1-CD1 3.49Å; V1309-L1334 VanDerWaalsContact CG1-CD1 3.49Å; V1309-L1334 HydrophobicContact CG1-CD2 4.37Å; V1309-L1361 HydrophobicContact CG2-CB 4.26Å; V1309-L1361 HydrophobicContact CG2-CD1 4.32Å; V1309-A1362 WeakPolarHBondContact CB-O 3.41Å; V1309-G1364 VanDerWaalsContact O-CA 3.28Å; V1309-G1364 WeakPolarHBondContact O-CA 3.5Å; V1309-G1364 PolarHBondContact O-N 3.2Å; V1309-D1365 HydrophobicContact CG2-CB 4.38Å; V1309-D1365 PolarHBondContact N-O 3.03Å; V1309-F1367 HydrophobicContact CG2-CD1 3.83Å; V1309-F1367 HydrophobicContact CG2-CE1 4.04Å |
| 1310 | K | 74.2 | Confident | 71.2 | Confident | 75 Ų | 75 | 42 Ų | 42 | 33% | 0.326 | 20% | 0.204 | S | C | . | . | trans | -66 | 147.6 | 170 | -65 | 176.5 | -164.7 | 161.8 | 0 | 110.6 | K1312 G1313 G1363 D1406 Q1408 | K1310-K1312 PolarHBondContact O-N 3.49Å; K1310-G1313 PolarHBondContact O-N 2.8Å; K1310-G1363 WeakPolarHBondContact O-CA 3.48Å; K1310-D1406 HydrophobicContact CB-CB 4.36Å; K1310-D1406 HydrophobicContact CD-CB 4Å; K1310-D1406 HydrophobicContact CG-CB 4.37Å; K1310-D1406 PolarHBondContact N-O 2.96Å; K1310-D1406 IonicContact NZ-OD1 3.54Å; K1310-D1406 PolarHBondContact NZ-OD1 3.4Å; K1310-Q1408 HydrophobicContact CG-CB 4.28Å | ||
| 1311 | D | 68.7 | Low | 72.3 | Confident | 119 Ų | 119 | 45.7 Ų | 45.7 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -20.8 | -178.2 | -51.3 | -10.7 | 0 | 0 | 0 | 115.5 | ||
| 1312 | K | 66.6 | Low | 72.8 | Confident | 198 Ų | 198 | 44.6 Ų | 44.6 | 86% | 0.861 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 24.8 | 175.2 | -65.9 | -173.9 | 173.1 | -178.2 | 0 | 113 | K1310 | K1310-K1312 PolarHBondContact O-N 3.49Š|
| 1313 | G | 63.5 | Low | 72.3 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | trans | -66.4 | 133.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1310 L1334 | K1310-G1313 PolarHBondContact O-N 2.8Å; G1313-L1334 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1314 | K | 74.9 | Confident | 71.9 | Confident | 117 Ų | 117 | 50.3 Ų | 50.3 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | trans | -101 | -34.3 | 174.4 | -66.6 | -177.1 | -179.4 | 178 | 0 | 112.3 | W1279 L1334 T1335 D1406 | W1279-K1314 HydrophobicContact CH2-CB 4.07Å; W1279-K1314 HydrophobicContact CH2-CD 4.37Å; K1314-L1334 PolarHBondContact O-N 3.48Å; K1314-T1335 HydrophobicContact CB-CG2 4.3Å; K1314-T1335 HydrophobicContact CG-CG2 4.12Å; K1314-D1406 PolarHBondContact N-OD2 3.4Å | ||
| 1315 | L | 78 | Confident | 71.1 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.9 | -165.3 | -152.2 | 76 | 0 | 0 | 0 | 114 | W1279 R1317 Q1331 L1332 D1333 G1405 D1406 | W1279-L1315 HydrophobicContact CH2-CB 4.01Å; W1279-L1315 HydrophobicContact CH2-CD1 4.42Å; W1279-L1315 HydrophobicContact CH2-CD2 4.17Å; W1279-L1315 HydrophobicContact CH2-CG 4.45Å; W1279-L1315 HydrophobicContact CZ3-CB 4.21Å; W1279-L1315 HydrophobicContact CZ3-CD2 4.2Å; L1315-R1317 HydrophobicContact CD2-CG 4.2Å; L1315-R1317 VanDerWaalsContact CD2-NH2 3.32Å; L1315-Q1331 HydrophobicContact CD1-CG 3.87Å; L1315-Q1331 HydrophobicContact CD2-CG 4.32Å; L1315-Q1331 HydrophobicContact CG-CG 4.12Å; L1315-L1332 WeakPolarHBondContact CD1-O 3.37Å; L1315-D1333 HydrophobicContact CD1-CB 4.09Å; L1315-G1405 CarbonylContact O-C 3.57Å; L1315-G1405 VanDerWaalsContact O-CA 3.27Å; L1315-G1405 WeakPolarHBondContact O-CA 3.4Å; L1315-D1406 PolarHBondContact O-N 3.15Å |
| 1316 | I | 75.9 | Confident | 71 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133 | 171.4 | -72.1 | 171.1 | 0 | 0 | 0 | 108.5 | V1309 Q1331 L1332 L1334 F1367 I1407 | V1309-I1316 HydrophobicContact CG2-CD1 3.99Å; I1316-Q1331 CarbonylContact O-C 3.55Å; I1316-Q1331 WeakPolarHBondContact O-CA 3.44Å; I1316-L1332 HydrophobicContact CB-CB 4.3Å; I1316-L1332 PolarHBondContact N-O 3.15Å; I1316-L1332 PolarHBondContact O-N 2.92Å; I1316-L1334 HydrophobicContact CD1-CD1 4.08Å; I1316-L1334 HydrophobicContact CD1-CD2 4.26Å; I1316-L1334 HydrophobicContact CD1-CG 4.49Å; I1316-L1334 HydrophobicContact CG1-CD1 4.21Å; I1316-F1367 HydrophobicContact CD1-CD1 4.48Å; I1316-F1367 HydrophobicContact CD1-CE1 3.79Å; I1316-F1367 HydrophobicContact CD1-CZ 3.92Å; I1316-F1367 HydrophobicContact CG2-CZ 4.37Å; I1316-I1407 HydrophobicContact CD1-CG1 4.35Å; I1316-I1407 HydrophobicContact CG1-CD1 4.25Å; I1316-I1407 HydrophobicContact CG1-CG1 3.92Å; I1316-I1407 HydrophobicContact CG2-CD1 4.19Å |
| 1317 | R | 76.1 | Confident | 70.9 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.4 | 178.7 | -68.5 | -178.2 | -179.7 | 151.8 | 8.9 | 111.6 | L1315 F1330 Q1331 M1403 S1404 | L1315-R1317 HydrophobicContact CD2-CG 4.2Å; L1315-R1317 VanDerWaalsContact CD2-NH2 3.32Å; R1317-F1330 CarbonylContact C-O 3.58Å; R1317-F1330 WeakPolarHBondContact CA-O 3.32Å; R1317-Q1331 HydrophobicContact CG-CB 4.2Å; R1317-Q1331 HydrophobicContact CG-CG 4Å; R1317-M1403 WeakPolarHBondContact O-CA 3.4Å; R1317-S1404 PolarHBondContact N-O 3.42Å; R1317-S1404 PolarHBondContact O-N 3.15Å |
| 1318 | V | 73.1 | Confident | 70.7 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.9 | 169 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | L1320 R1329 F1330 L1369 T1402 M1403 | V1318-L1320 HydrophobicContact CG1-CD2 4.26Å; V1318-R1329 WeakPolarHBondContact O-CA 3.44Å; V1318-F1330 PolarHBondContact N-O 3.19Å; V1318-F1330 PolarHBondContact O-N 3.26Å; V1318-L1369 HydrophobicContact CG2-CD2 3.83Å; V1318-T1402 WeakPolarHBondContact CA-O 3.39Å; V1318-M1403 HydrophobicContact CG2-CB 4.12Å; V1318-M1403 HydrophobicContact CG2-CG 3.82Å; V1318-M1403 HydrophobicContact CG2-SD 3.94Å |
| 1319 | D | 77.3 | Confident | 70.8 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | 178.9 | -71.6 | -4.4 | 0 | 0 | 0 | 109.9 | R1329 A1401 T1402 | D1319-R1329 WeakPolarHBondContact OD1-CB 3.43Å; D1319-R1329 VanDerWaalsContact OD1-CG 3.26Å; D1319-R1329 WeakPolarHBondContact OD1-CG 3.19Å; D1319-R1329 IonicContact OD1-CZ 2.65Å; D1319-R1329 IonicContact OD1-NE 3.38Å; D1319-R1329 PolarHBondContact OD1-NE 3.3Å; D1319-R1329 IonicContact OD1-NH2 2.65Å; D1319-R1329 PolarHBondContact OD1-NH2 3.06Å; D1319-R1329 IonicContact OD2-CZ 2.64Å; D1319-R1329 IonicContact OD2-NE 2.66Å; D1319-R1329 IonicContact OD2-NH2 2.67Å; D1319-R1329 PolarHBondContact OD2-NH2 2.77Å; D1319-A1401 CarbonylContact O-C 3.55Å; D1319-A1401 WeakPolarHBondContact O-CA 3.37Å; D1319-T1402 PolarHBondContact N-O 3.34Å; D1319-T1402 PolarHBondContact O-N 2.75Å; D1319-T1402 PolarHBondContact O-OG1 2.71Å |
| 1320 | L | 72.9 | Confident | 70.6 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.9 | 172.7 | -55 | -176.9 | 0 | 0 | 0 | 109.3 | V1303 V1318 M1322 A1327 S1328 F1330 M1373 V1398 A1401 | V1303-L1320 HydrophobicContact CG1-CD2 4.32Å; V1303-L1320 HydrophobicContact CG2-CD2 4.48Å; V1318-L1320 HydrophobicContact CG1-CD2 4.26Å; L1320-M1322 HydrophobicContact CB-CE 3.88Å; L1320-M1322 HydrophobicContact CD1-CE 4.44Å; L1320-A1327 CarbonylContact O-C 3.55Å; L1320-A1327 VanDerWaalsContact O-CA 3.3Å; L1320-A1327 WeakPolarHBondContact O-CA 3.47Å; L1320-S1328 PolarHBondContact N-O 3.42Å; L1320-S1328 PolarHBondContact O-N 3.13Å; L1320-F1330 HydrophobicContact CD1-CD2 4.49Å; L1320-F1330 HydrophobicContact CD1-CE2 3.81Å; L1320-F1330 HydrophobicContact CG-CE2 4.43Å; L1320-M1373 HydrophobicContact CD1-SD 4.24Å; L1320-V1398 HydrophobicContact CB-CG1 4.45Å; L1320-V1398 HydrophobicContact CB-CG2 4.14Å; L1320-V1398 HydrophobicContact CD1-CG2 4.14Å; L1320-V1398 HydrophobicContact CD2-CG1 4.35Å; L1320-A1401 HydrophobicContact CD2-CB 3.63Å |
| 1321 | K | 70.3 | Confident | 70.8 | Confident | 98 Ų | 98 | 47 Ų | 47 | 43% | 0.426 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.4 | 169.6 | -170.5 | -178.3 | 178.5 | -176.2 | 0 | 110.2 | V1398 Q1399 K1400 | K1321-V1398 CarbonylContact O-C 3.49Å; K1321-V1398 WeakPolarHBondContact O-CA 3.31Å; K1321-Q1399 PolarHBondContact O-N 3.05Å; K1321-K1400 HydrophobicContact CB-CB 4.35Å; K1321-K1400 PolarHBondContact N-O 3.05Å; K1321-K1400 PolarHBondContact O-N 3.3Å |
| 1322 | M | 67.2 | Low | 71.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 164.5 | -176.3 | -53.5 | -55.8 | 165.7 | 0 | 0 | 113.2 | L1320 S1324 G1325 S1326 S1328 L1393 P1394 I1397 V1398 | L1320-M1322 HydrophobicContact CB-CE 3.88Å; L1320-M1322 HydrophobicContact CD1-CE 4.44Å; M1322-S1324 VanDerWaalsContact C-N 3.34Å; M1322-G1325 PolarHBondContact O-N 3.1Å; M1322-S1326 WeakPolarHBondContact CB-OG 3.49Å; M1322-S1326 PolarHBondContact N-O 3.13Å; M1322-S1328 WeakPolarHBondContact CE-OG 3.32Å; M1322-L1393 HydrophobicContact CE-CB 4.2Å; M1322-L1393 HydrophobicContact CE-CD1 3.82Å; M1322-L1393 HydrophobicContact CE-CD2 3.84Å; M1322-L1393 HydrophobicContact CE-CG 4.17Å; M1322-L1393 HydrophobicContact SD-CD1 4.23Å; M1322-P1394 HydrophobicContact CG-CG 4.41Å; M1322-I1397 CarbonylContact C-O 3.55Å; M1322-I1397 WeakPolarHBondContact CA-O 3.21Å; M1322-V1398 HydrophobicContact CE-CG2 4.15Å; M1322-V1398 HydrophobicContact SD-CG2 3.7Å |
| 1323 | D | 57.9 | Low | 71.8 | Confident | 52 Ų | 52 | 33.4 Ų | 33.4 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.6 | 171.6 | 59.7 | -30 | 0 | 0 | 0 | 114.1 | G1325 R1396 I1397 Q1399 | D1323-G1325 PolarHBondContact O-N 2.74Å; D1323-R1396 PolarHBondContact OD1-N 3.17Å; D1323-I1397 HydrophobicContact CB-CB 3.99Å; D1323-I1397 WeakPolarHBondContact CB-O 3.3Å; D1323-I1397 PolarHBondContact N-O 3.26Å; D1323-I1397 PolarHBondContact OD1-N 3.35Å; D1323-Q1399 HydrophobicContact CB-CG 4.31Å |
| 1324 | S | 58.7 | Low | 72.2 | Confident | 73 Ų | 73 | 34 Ų | 34 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 2.4 | 170.9 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | M1322 S1326 P1394 G1395 | M1322-S1324 VanDerWaalsContact C-N 3.34Å; S1324-S1326 PolarHBondContact O-N 3.34Å; S1324-S1326 PolarHBondContact OG-OG 2.87Å; S1324-P1394 PolarHBondContact OG-O 3.05Å; S1324-G1395 WeakPolarHBondContact OG-CA 3.17Å |
| 1325 | G | 59.3 | Low | 72.1 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 82.1 | -18.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1322 D1323 | M1322-G1325 PolarHBondContact O-N 3.1Å; D1323-G1325 PolarHBondContact O-N 2.74Å |
| 1326 | S | 68.2 | Low | 71.9 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | trans | -64.3 | 170.6 | 172.9 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | M1322 S1324 F1344 P1394 | M1322-S1326 WeakPolarHBondContact CB-OG 3.49Å; M1322-S1326 PolarHBondContact N-O 3.13Å; S1324-S1326 PolarHBondContact O-N 3.34Å; S1324-S1326 PolarHBondContact OG-OG 2.87Å; S1326-F1344 WeakPolarHBondContact CB-O 3.34Å; S1326-P1394 WeakPolarHBondContact OG-CB 3.43Å; S1326-P1394 WeakPolarHBondContact OG-CG 3.08Å; S1326-P1394 PolarHBondContact OG-O 2.93Å | ||
| 1327 | A | 72.1 | Confident | 71.7 | Confident | 18 Ų | 18 | 36 Ų | 36 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 164.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1320 F1344 W1349 | L1320-A1327 CarbonylContact O-C 3.55Å; L1320-A1327 VanDerWaalsContact O-CA 3.3Å; L1320-A1327 WeakPolarHBondContact O-CA 3.47Å; A1327-F1344 HydrophobicContact CB-CB 3.94Å; A1327-F1344 PolarHBondContact O-N 2.82Å; A1327-W1349 HydrophobicContact CB-CH2 3.98Å |
| 1328 | S | 73.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 138.7 | 173.2 | -49.9 | 0 | 0 | 0 | 0 | 109.6 | L1320 M1322 N1342 P1394 | L1320-S1328 PolarHBondContact N-O 3.42Å; L1320-S1328 PolarHBondContact O-N 3.13Å; M1322-S1328 WeakPolarHBondContact CE-OG 3.32Å; S1328-N1342 CarbonylContact C-O 3.52Å; S1328-N1342 WeakPolarHBondContact CA-O 3.5Å; S1328-P1394 VanDerWaalsContact OG-CD 3.3Å; S1328-P1394 WeakPolarHBondContact OG-CD 3.37Å |
| 1329 | R | 78.7 | Confident | 71.4 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 19% | 0.185 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.2 | -173.5 | 164.8 | 174.2 | -67.6 | 150.1 | 4.5 | 109.2 | V1318 D1319 Q1331 F1341 N1342 W1349 | V1318-R1329 WeakPolarHBondContact O-CA 3.44Å; D1319-R1329 WeakPolarHBondContact OD1-CB 3.43Å; D1319-R1329 VanDerWaalsContact OD1-CG 3.26Å; D1319-R1329 WeakPolarHBondContact OD1-CG 3.19Å; D1319-R1329 IonicContact OD1-CZ 2.65Å; D1319-R1329 IonicContact OD1-NE 3.38Å; D1319-R1329 PolarHBondContact OD1-NE 3.3Å; D1319-R1329 IonicContact OD1-NH2 2.65Å; D1319-R1329 PolarHBondContact OD1-NH2 3.06Å; D1319-R1329 IonicContact OD2-CZ 2.64Å; D1319-R1329 IonicContact OD2-NE 2.66Å; D1319-R1329 IonicContact OD2-NH2 2.67Å; D1319-R1329 PolarHBondContact OD2-NH2 2.77Å; R1329-Q1331 HydrophobicContact CG-CB 4.48Å; R1329-F1341 WeakPolarHBondContact O-CA 3.48Å; R1329-N1342 HydrophobicContact CB-CB 4.3Å; R1329-N1342 PolarHBondContact N-O 2.77Å; R1329-N1342 PolarHBondContact O-N 3.05Å; R1329-W1349 HydrophobicContact CB-CE3 4.26Å; R1329-W1349 HydrophobicContact CB-CH2 3.73Å; R1329-W1349 HydrophobicContact CB-CZ3 3.46Å; R1329-W1349 VanDerWaalsContact CB-CZ3 3.46Å |
| 1330 | F | 75.4 | Confident | 71.3 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.7 | 165.9 | -59.2 | -77.1 | 0 | 0 | 0 | 108.3 | R1317 V1318 L1320 W1339 Y1340 F1341 L1380 Y1391 | R1317-F1330 CarbonylContact C-O 3.58Å; R1317-F1330 WeakPolarHBondContact CA-O 3.32Å; V1318-F1330 PolarHBondContact N-O 3.19Å; V1318-F1330 PolarHBondContact O-N 3.26Å; L1320-F1330 HydrophobicContact CD1-CD2 4.49Å; L1320-F1330 HydrophobicContact CD1-CE2 3.81Å; L1320-F1330 HydrophobicContact CG-CE2 4.43Å; F1330-W1339 HydrophobicContact CB-CE3 4.34Å; F1330-W1339 HydrophobicContact CB-CZ3 4.11Å; F1330-Y1340 WeakPolarHBondContact CA-O 3.25Å; F1330-F1341 HydrophobicContact CD1-CB 4.17Å; F1330-F1341 AromaticContact CD1-CD2 3.45Å; F1330-F1341 HydrophobicContact CD1-CD2 3.45Å; F1330-F1341 VanDerWaalsContact CD1-CD2 3.45Å; F1330-F1341 HydrophobicContact CD1-CE2 4.18Å; F1330-F1341 HydrophobicContact CD1-CG 4.18Å; F1330-F1341 HydrophobicContact CE1-CB 4.15Å; F1330-F1341 AromaticContact CE1-CD2 3Å; F1330-F1341 HydrophobicContact CE1-CD2 3Å; F1330-F1341 AromaticContact CE1-CE2 3.4Å; F1330-F1341 HydrophobicContact CE1-CE2 3.4Å; F1330-F1341 AromaticContact CE1-CG 3.76Å; F1330-F1341 HydrophobicContact CE1-CG 3.76Å; F1330-F1341 HydrophobicContact CE1-CZ 4.45Å; F1330-F1341 HydrophobicContact CE2-CD2 4.32Å; F1330-F1341 HydrophobicContact CE2-CE2 4.13Å; F1330-F1341 HydrophobicContact CG-CD2 4.29Å; F1330-F1341 AromaticContact CZ-CD2 3.52Å; F1330-F1341 HydrophobicContact CZ-CD2 3.52Å; F1330-F1341 AromaticContact CZ-CE2 3.37Å; F1330-F1341 HydrophobicContact CZ-CE2 3.37Å; F1330-F1341 HydrophobicContact CZ-CZ 4.37Å; F1330-L1380 HydrophobicContact CB-CD1 4.25Å; F1330-L1380 HydrophobicContact CD1-CD1 3.14Å; F1330-L1380 HydrophobicContact CD2-CD1 3.94Å; F1330-L1380 HydrophobicContact CE1-CD1 3.22Å; F1330-L1380 HydrophobicContact CE1-CG 4.47Å; F1330-L1380 HydrophobicContact CE2-CD1 4.02Å; F1330-L1380 HydrophobicContact CG-CD1 3.51Å; F1330-L1380 HydrophobicContact CZ-CD1 3.67Å; F1330-Y1391 HydrophobicContact CE1-CD2 4.24Å |
| 1331 | Q | 78 | Confident | 71.3 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.9 | -179.4 | 175.5 | 173.1 | -54.7 | 0 | 0 | 109.6 | L1315 I1316 R1317 R1329 W1339 Y1340 | L1315-Q1331 HydrophobicContact CD1-CG 3.87Å; L1315-Q1331 HydrophobicContact CD2-CG 4.32Å; L1315-Q1331 HydrophobicContact CG-CG 4.12Å; I1316-Q1331 CarbonylContact O-C 3.55Å; I1316-Q1331 WeakPolarHBondContact O-CA 3.44Å; R1317-Q1331 HydrophobicContact CG-CB 4.2Å; R1317-Q1331 HydrophobicContact CG-CG 4Å; R1329-Q1331 HydrophobicContact CG-CB 4.48Å; Q1331-W1339 WeakPolarHBondContact O-CA 2.99Å; Q1331-Y1340 PolarHBondContact N-O 2.65Å; Q1331-Y1340 PolarHBondContact O-N 2.66Å |
| 1332 | L | 77.5 | Confident | 71.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.2 | 167.5 | 169.4 | 58.7 | 0 | 0 | 0 | 108.8 | L1315 I1316 L1334 W1339 L1361 | L1315-L1332 WeakPolarHBondContact CD1-O 3.37Å; I1316-L1332 HydrophobicContact CB-CB 4.3Å; I1316-L1332 PolarHBondContact N-O 3.15Å; I1316-L1332 PolarHBondContact O-N 2.92Å; L1332-L1334 HydrophobicContact CD2-CD2 3.76Å; L1332-L1334 HydrophobicContact CD2-CG 4.46Å; L1332-L1334 HydrophobicContact CG-CD2 4.15Å; L1332-L1334 HydrophobicContact CG-CG 4.37Å; L1332-W1339 HydrophobicContact CB-CD2 3.92Å; L1332-W1339 HydrophobicContact CB-CE3 4.08Å; L1332-W1339 HydrophobicContact CB-CH2 3.94Å; L1332-W1339 HydrophobicContact CB-CZ2 3.79Å; L1332-W1339 HydrophobicContact CB-CZ3 4.09Å; L1332-W1339 HydrophobicContact CD1-CD2 4.46Å; L1332-W1339 HydrophobicContact CD1-CG 4.38Å; L1332-W1339 HydrophobicContact CD2-CH2 4.43Å; L1332-W1339 HydrophobicContact CD2-CZ2 3.72Å; L1332-W1339 HydrophobicContact CG-CZ2 4.24Å; L1332-L1361 HydrophobicContact CD2-CD1 3.95Å |
| 1333 | D | 79.2 | Confident | 71.4 | Confident | 31 Ų | 31 | 29.6 Ų | 29.6 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.3 | 161.6 | 169.4 | 17.8 | 0 | 0 | 0 | 109.4 | L1315 T1335 S1336 N1337 D1338 Y1340 | L1315-D1333 HydrophobicContact CD1-CB 4.09Å; D1333-T1335 PolarHBondContact O-N 3.34Å; D1333-T1335 WeakPolarHBondContact OD1-CB 3.41Å; D1333-T1335 PolarHBondContact OD1-N 2.97Å; D1333-T1335 PolarHBondContact OD1-OG1 3Å; D1333-T1335 PolarHBondContact OD2-OG1 2.96Å; D1333-S1336 WeakPolarHBondContact CB-OG 3.4Å; D1333-S1336 PolarHBondContact O-OG 3.38Å; D1333-S1336 WeakPolarHBondContact OD2-CB 3.49Å; D1333-S1336 PolarHBondContact OD2-OG 2.77Å; D1333-N1337 WeakPolarHBondContact O-CA 3.18Å; D1333-N1337 PolarHBondContact O-N 3.35Å; D1333-D1338 PolarHBondContact N-O 2.92Å; D1333-D1338 VanDerWaalsContact N-O 3.07Å; D1333-D1338 PolarHBondContact O-N 3.48Å; D1333-Y1340 HydrophobicContact CB-CE2 4.3Å |
| 1334 | L | 71.9 | Confident | 71.3 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 14% | 0.141 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.6 | -177.6 | -66.6 | 161.1 | 0 | 0 | 0 | 112.1 | V1309 G1313 K1314 I1316 L1332 L1361 | V1309-L1334 HydrophobicContact CG1-CD1 3.49Å; V1309-L1334 VanDerWaalsContact CG1-CD1 3.49Å; V1309-L1334 HydrophobicContact CG1-CD2 4.37Å; G1313-L1334 WeakPolarHBondContact O-CD1 3.46Å; K1314-L1334 PolarHBondContact O-N 3.48Å; I1316-L1334 HydrophobicContact CD1-CD1 4.08Å; I1316-L1334 HydrophobicContact CD1-CD2 4.26Å; I1316-L1334 HydrophobicContact CD1-CG 4.49Å; I1316-L1334 HydrophobicContact CG1-CD1 4.21Å; L1332-L1334 HydrophobicContact CD2-CD2 3.76Å; L1332-L1334 HydrophobicContact CD2-CG 4.46Å; L1332-L1334 HydrophobicContact CG-CD2 4.15Å; L1332-L1334 HydrophobicContact CG-CG 4.37Å; L1334-L1361 HydrophobicContact CD2-CB 3.77Å |
| 1335 | T | 72.5 | Confident | 71 | Confident | 103 Ų | 103 | 28.4 Ų | 28.4 | 63% | 0.632 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -29.2 | -179.6 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | K1314 D1333 | K1314-T1335 HydrophobicContact CB-CG2 4.3Å; K1314-T1335 HydrophobicContact CG-CG2 4.12Å; D1333-T1335 PolarHBondContact O-N 3.34Å; D1333-T1335 WeakPolarHBondContact OD1-CB 3.41Å; D1333-T1335 PolarHBondContact OD1-N 2.97Å; D1333-T1335 PolarHBondContact OD1-OG1 3Å; D1333-T1335 PolarHBondContact OD2-OG1 2.96Å |
| 1336 | S | 74.3 | Confident | 70.5 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -18.3 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | D1333 D1338 | D1333-S1336 WeakPolarHBondContact CB-OG 3.4Å; D1333-S1336 PolarHBondContact O-OG 3.38Å; D1333-S1336 WeakPolarHBondContact OD2-CB 3.49Å; D1333-S1336 PolarHBondContact OD2-OG 2.77Å; S1336-D1338 WeakPolarHBondContact CB-OD2 3.5Å; S1336-D1338 PolarHBondContact O-N 2.77Å; S1336-D1338 WeakPolarHBondContact OG-CB 3.47Å; S1336-D1338 PolarHBondContact OG-N 2.83Å |
| 1337 | N | 71.4 | Confident | 69.7 | Low | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 24.1 | -166.1 | -155.7 | 52.4 | 0 | 0 | 0 | 114 | D1333 S1357 I1359 | D1333-N1337 WeakPolarHBondContact O-CA 3.18Å; D1333-N1337 PolarHBondContact O-N 3.35Å; N1337-S1357 PolarHBondContact ND2-O 2.97Å; N1337-S1357 PolarHBondContact O-N 2.89Å; N1337-I1359 PolarHBondContact ND2-O 2.82Å; N1337-I1359 PolarHBondContact OD1-O 2.95Å |
| 1338 | D | 73.3 | Confident | 68.5 | Low | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.9 | 177.2 | -77.3 | -50.4 | 0 | 0 | 0 | 111.6 | D1333 S1336 Y1340 P1354 K1356 | D1333-D1338 PolarHBondContact N-O 2.92Å; D1333-D1338 VanDerWaalsContact N-O 3.07Å; D1333-D1338 PolarHBondContact O-N 3.48Å; S1336-D1338 WeakPolarHBondContact CB-OD2 3.5Å; S1336-D1338 PolarHBondContact O-N 2.77Å; S1336-D1338 WeakPolarHBondContact OG-CB 3.47Å; S1336-D1338 PolarHBondContact OG-N 2.83Å; D1338-Y1340 HydrophobicContact CB-CE2 4.09Å; D1338-P1354 HydrophobicContact CB-CB 3.71Å; D1338-K1356 WeakPolarHBondContact OD1-CE 3.29Å; D1338-K1356 WeakPolarHBondContact OD1-CG 2.79Å |
| 1339 | W | 70.4 | Confident | 67.5 | Low | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.6 | 170.4 | -76.3 | 80.6 | 0 | 0 | 0 | 111.3 | F1330 Q1331 L1332 P1354 F1355 L1369 L1382 L1387 | F1330-W1339 HydrophobicContact CB-CE3 4.34Å; F1330-W1339 HydrophobicContact CB-CZ3 4.11Å; Q1331-W1339 WeakPolarHBondContact O-CA 2.99Å; L1332-W1339 HydrophobicContact CB-CD2 3.92Å; L1332-W1339 HydrophobicContact CB-CE3 4.08Å; L1332-W1339 HydrophobicContact CB-CH2 3.94Å; L1332-W1339 HydrophobicContact CB-CZ2 3.79Å; L1332-W1339 HydrophobicContact CB-CZ3 4.09Å; L1332-W1339 HydrophobicContact CD1-CD2 4.46Å; L1332-W1339 HydrophobicContact CD1-CG 4.38Å; L1332-W1339 HydrophobicContact CD2-CH2 4.43Å; L1332-W1339 HydrophobicContact CD2-CZ2 3.72Å; L1332-W1339 HydrophobicContact CG-CZ2 4.24Å; W1339-P1354 CarbonylContact O-C 3.57Å; W1339-P1354 VanDerWaalsContact O-CA 3.29Å; W1339-P1354 WeakPolarHBondContact O-CA 3.26Å; W1339-F1355 HydrophobicContact CB-CD1 3.92Å; W1339-F1355 HydrophobicContact CB-CD2 4.13Å; W1339-F1355 HydrophobicContact CB-CE1 3.5Å; W1339-F1355 VanDerWaalsContact CB-CE1 3.5Å; W1339-F1355 HydrophobicContact CB-CE2 3.72Å; W1339-F1355 HydrophobicContact CB-CG 4.23Å; W1339-F1355 HydrophobicContact CB-CZ 3.39Å; W1339-F1355 HydrophobicContact CG-CE2 4.13Å; W1339-F1355 HydrophobicContact CG-CZ 4.01Å; W1339-F1355 PolarHBondContact N-O 2.92Å; W1339-F1355 VanDerWaalsContact O-CD1 3.31Å; W1339-F1355 WeakPolarHBondContact O-CD1 3.31Å; W1339-F1355 PolarHBondContact O-N 2.67Å; W1339-L1369 HydrophobicContact CH2-CD1 3.41Å; W1339-L1369 VanDerWaalsContact CH2-CD1 3.41Å; W1339-L1369 HydrophobicContact CH2-CD2 3.84Å; W1339-L1369 HydrophobicContact CH2-CG 4.29Å; W1339-L1369 HydrophobicContact CZ2-CD1 3.86Å; W1339-L1369 HydrophobicContact CZ3-CD1 4.28Å; W1339-L1369 HydrophobicContact CZ3-CD2 4.19Å; W1339-L1382 HydrophobicContact CZ2-CD2 4.44Å; W1339-L1387 HydrophobicContact CD2-CD1 4.23Å; W1339-L1387 HydrophobicContact CH2-CD1 4.44Å; W1339-L1387 HydrophobicContact CZ2-CD1 3.66Å |
| 1340 | Y | 75.2 | Confident | 66.6 | Low | 34 Ų | 34 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.2 | 173.6 | -56.2 | -85.2 | 0 | 0 | 0 | 109.7 | F1330 Q1331 D1333 D1338 K1351 P1354 | F1330-Y1340 WeakPolarHBondContact CA-O 3.25Å; Q1331-Y1340 PolarHBondContact N-O 2.65Å; Q1331-Y1340 PolarHBondContact O-N 2.66Å; D1333-Y1340 HydrophobicContact CB-CE2 4.3Å; D1338-Y1340 HydrophobicContact CB-CE2 4.09Å; Y1340-K1351 HydrophobicContact CD1-CD 4.32Å; Y1340-K1351 HydrophobicContact CD1-CG 4.33Å; Y1340-P1354 HydrophobicContact CD1-CB 4.1Å; Y1340-P1354 HydrophobicContact CE1-CB 3.62Å; Y1340-P1354 HydrophobicContact CE1-CG 4.03Å |
| 1341 | F | 71.9 | Confident | 65.7 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 108.5 | 170.7 | 174.6 | -125.7 | 0 | 0 | 0 | 109.3 | R1329 F1330 T1343 R1352 Y1391 L1393 | R1329-F1341 WeakPolarHBondContact O-CA 3.48Å; F1330-F1341 HydrophobicContact CD1-CB 4.17Å; F1330-F1341 AromaticContact CD1-CD2 3.45Å; F1330-F1341 HydrophobicContact CD1-CD2 3.45Å; F1330-F1341 VanDerWaalsContact CD1-CD2 3.45Å; F1330-F1341 HydrophobicContact CD1-CE2 4.18Å; F1330-F1341 HydrophobicContact CD1-CG 4.18Å; F1330-F1341 HydrophobicContact CE1-CB 4.15Å; F1330-F1341 AromaticContact CE1-CD2 3Å; F1330-F1341 HydrophobicContact CE1-CD2 3Å; F1330-F1341 AromaticContact CE1-CE2 3.4Å; F1330-F1341 HydrophobicContact CE1-CE2 3.4Å; F1330-F1341 AromaticContact CE1-CG 3.76Å; F1330-F1341 HydrophobicContact CE1-CG 3.76Å; F1330-F1341 HydrophobicContact CE1-CZ 4.45Å; F1330-F1341 HydrophobicContact CE2-CD2 4.32Å; F1330-F1341 HydrophobicContact CE2-CE2 4.13Å; F1330-F1341 HydrophobicContact CG-CD2 4.29Å; F1330-F1341 AromaticContact CZ-CD2 3.52Å; F1330-F1341 HydrophobicContact CZ-CD2 3.52Å; F1330-F1341 AromaticContact CZ-CE2 3.37Å; F1330-F1341 HydrophobicContact CZ-CE2 3.37Å; F1330-F1341 HydrophobicContact CZ-CZ 4.37Å; F1341-T1343 HydrophobicContact CE1-CG2 3.63Å; F1341-T1343 HydrophobicContact CE2-CG2 4.24Å; F1341-T1343 HydrophobicContact CZ-CG2 3.5Å; F1341-T1343 VanDerWaalsContact CZ-CG2 3.5Å; F1341-R1352 CarbonylContact C-O 3.58Å; F1341-R1352 HydrophobicContact CD1-CB 4.48Å; F1341-R1352 PolarHBondContact N-O 3.32Å; F1341-R1352 WeakPolarHBondContact O-CA 3.41Å; F1341-R1352 WeakPolarHBondContact O-CB 3.12Å; F1341-R1352 PolarHBondContact O-N 2.94Å; F1341-Y1391 HydrophobicContact CB-CD2 4.49Å; F1341-Y1391 HydrophobicContact CB-CE2 4.21Å; F1341-Y1391 AromaticContact CD1-CD1 3.8Å; F1341-Y1391 HydrophobicContact CD1-CD1 3.8Å; F1341-Y1391 HydrophobicContact CD1-CD2 4.05Å; F1341-Y1391 HydrophobicContact CD1-CE1 4.24Å; F1341-Y1391 HydrophobicContact CD1-CE2 4.44Å; F1341-Y1391 AromaticContact CD1-CG 3.71Å; F1341-Y1391 HydrophobicContact CD1-CG 3.71Å; F1341-Y1391 HydrophobicContact CE1-CD1 4.12Å; F1341-Y1391 HydrophobicContact CE1-CD2 4.44Å; F1341-Y1391 AromaticContact CE1-CG 3.84Å; F1341-Y1391 HydrophobicContact CE1-CG 3.84Å; F1341-Y1391 HydrophobicContact CG-CD2 4.19Å; F1341-Y1391 HydrophobicContact CG-CE2 4.39Å; F1341-Y1391 HydrophobicContact CG-CG 4.32Å; F1341-Y1391 HydrophobicContact CZ-CG 4.5Å; F1341-L1393 HydrophobicContact CE2-CD2 4.44Å; F1341-L1393 HydrophobicContact CZ-CD2 4.11Å |
| 1342 | N | 74 | Confident | 64.9 | Low | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.8 | 179.2 | -53.8 | -2.6 | 0 | 0 | 0 | 109.7 | S1328 R1329 W1349 E1350 | S1328-N1342 CarbonylContact C-O 3.52Å; S1328-N1342 WeakPolarHBondContact CA-O 3.5Å; R1329-N1342 HydrophobicContact CB-CB 4.3Å; R1329-N1342 PolarHBondContact N-O 2.77Å; R1329-N1342 PolarHBondContact O-N 3.05Å; N1342-W1349 HydrophobicContact CB-CD2 4.45Å; N1342-W1349 HydrophobicContact CB-CE3 3.6Å; N1342-W1349 HydrophobicContact CB-CZ3 4.2Å; N1342-W1349 WeakPolarHBondContact O-CZ3 3.5Å; N1342-E1350 CarbonylContact C-O 3.54Å; N1342-E1350 WeakPolarHBondContact CA-O 3.29Å |
| 1343 | T | 65.1 | Low | 63.9 | Low | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.8 | 172.9 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | F1341 W1349 E1350 P1394 | F1341-T1343 HydrophobicContact CE1-CG2 3.63Å; F1341-T1343 HydrophobicContact CE2-CG2 4.24Å; F1341-T1343 HydrophobicContact CZ-CG2 3.5Å; F1341-T1343 VanDerWaalsContact CZ-CG2 3.5Å; T1343-W1349 WeakPolarHBondContact O-CA 3.08Å; T1343-E1350 PolarHBondContact N-O 2.67Å; T1343-E1350 PolarHBondContact O-N 3.45Å; T1343-P1394 HydrophobicContact CG2-CG 4.35Å |
| 1344 | F | 56.1 | Low | 63 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106.5 | 175.9 | -169.1 | -108 | 0 | 0 | 0 | 109.8 | S1326 A1327 N1347 V1348 W1349 | S1326-F1344 WeakPolarHBondContact CB-O 3.34Å; A1327-F1344 HydrophobicContact CB-CB 3.94Å; A1327-F1344 PolarHBondContact O-N 2.82Å; F1344-N1347 VanDerWaalsContact CE2-C 3.47Å; F1344-N1347 VanDerWaalsContact CE2-O 3.31Å; F1344-N1347 WeakPolarHBondContact CE2-O 2.82Å; F1344-N1347 HydrophobicContact CZ-CB 4.33Å; F1344-V1348 WeakPolarHBondContact CA-O 2.86Å; F1344-W1349 HydrophobicContact CB-CD2 3.98Å; F1344-W1349 HydrophobicContact CB-CE3 3.81Å; F1344-W1349 HydrophobicContact CB-CH2 4.01Å; F1344-W1349 HydrophobicContact CB-CZ2 4.13Å; F1344-W1349 HydrophobicContact CB-CZ3 3.83Å; F1344-W1349 AromaticContact CD2-CD1 3.65Å; F1344-W1349 AromaticContact CD2-CD2 3.78Å; F1344-W1349 HydrophobicContact CD2-CD2 3.78Å; F1344-W1349 AromaticContact CD2-CE2 3.62Å; F1344-W1349 HydrophobicContact CD2-CE3 4.47Å; F1344-W1349 AromaticContact CD2-CG 3.84Å; F1344-W1349 HydrophobicContact CD2-CG 3.84Å; F1344-W1349 HydrophobicContact CD2-CZ2 4.25Å; F1344-W1349 AromaticContact CD2-NE1 3.49Å; F1344-W1349 AromaticContact CE2-NE1 3.86Å; F1344-W1349 HydrophobicContact CG-CD2 4.33Å; F1344-W1349 HydrophobicContact CG-CZ2 4.37Å |
| 1345 | A | 53.1 | Low | 62.7 | Low | 43 Ų | 43 | 64 Ų | 64 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | N1347 V1348 | A1345-N1347 PolarHBondContact O-N 3.02Å; A1345-V1348 PolarHBondContact N-O 3.07Å; A1345-V1348 VanDerWaalsContact N-O 3.07Å; A1345-V1348 PolarHBondContact O-N 3.31Å |
| 1346 | D | 49.4 | Very low | 62.2 | Low | 159 Ų | 159 | 66.2 Ų | 66.2 | 85% | 0.85 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.1 | 176.2 | -51.9 | -29.3 | 0 | 0 | 0 | 114.6 | V1348 | D1346-V1348 PolarHBondContact O-N 2.85Š|
| 1347 | N | 50.6 | Low | 61.6 | Low | 140 Ų | 140 | 64.8 Ų | 64.8 | 75% | 0.749 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 7.8 | -173.5 | -62 | -45.8 | 0 | 0 | 0 | 116.7 | F1344 A1345 | F1344-N1347 VanDerWaalsContact CE2-C 3.47Å; F1344-N1347 VanDerWaalsContact CE2-O 3.31Å; F1344-N1347 WeakPolarHBondContact CE2-O 2.82Å; F1344-N1347 HydrophobicContact CZ-CB 4.33Å; A1345-N1347 PolarHBondContact O-N 3.02Å |
| 1348 | V | 47 | Very low | 61.2 | Low | 93 Ų | 93 | 68 Ų | 68 | 56% | 0.564 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 144.9 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | F1344 A1345 D1346 | F1344-V1348 WeakPolarHBondContact CA-O 2.86Å; A1345-V1348 PolarHBondContact N-O 3.07Å; A1345-V1348 VanDerWaalsContact N-O 3.07Å; A1345-V1348 PolarHBondContact O-N 3.31Å; D1346-V1348 PolarHBondContact O-N 2.85Å |
| 1349 | W | 51.9 | Low | 60.8 | Low | 85 Ų | 85 | 68.3 Ų | 68.3 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 96 | 167 | -75.6 | 99.4 | 0 | 0 | 0 | 109.8 | A1327 R1329 N1342 T1343 F1344 K1351 | A1327-W1349 HydrophobicContact CB-CH2 3.98Å; R1329-W1349 HydrophobicContact CB-CE3 4.26Å; R1329-W1349 HydrophobicContact CB-CH2 3.73Å; R1329-W1349 HydrophobicContact CB-CZ3 3.46Å; R1329-W1349 VanDerWaalsContact CB-CZ3 3.46Å; N1342-W1349 HydrophobicContact CB-CD2 4.45Å; N1342-W1349 HydrophobicContact CB-CE3 3.6Å; N1342-W1349 HydrophobicContact CB-CZ3 4.2Å; N1342-W1349 WeakPolarHBondContact O-CZ3 3.5Å; T1343-W1349 WeakPolarHBondContact O-CA 3.08Å; F1344-W1349 HydrophobicContact CB-CD2 3.98Å; F1344-W1349 HydrophobicContact CB-CE3 3.81Å; F1344-W1349 HydrophobicContact CB-CH2 4.01Å; F1344-W1349 HydrophobicContact CB-CZ2 4.13Å; F1344-W1349 HydrophobicContact CB-CZ3 3.83Å; F1344-W1349 AromaticContact CD2-CD1 3.65Å; F1344-W1349 AromaticContact CD2-CD2 3.78Å; F1344-W1349 HydrophobicContact CD2-CD2 3.78Å; F1344-W1349 AromaticContact CD2-CE2 3.62Å; F1344-W1349 HydrophobicContact CD2-CE3 4.47Å; F1344-W1349 AromaticContact CD2-CG 3.84Å; F1344-W1349 HydrophobicContact CD2-CG 3.84Å; F1344-W1349 HydrophobicContact CD2-CZ2 4.25Å; F1344-W1349 AromaticContact CD2-NE1 3.49Å; F1344-W1349 AromaticContact CE2-NE1 3.86Å; F1344-W1349 HydrophobicContact CG-CD2 4.33Å; F1344-W1349 HydrophobicContact CG-CZ2 4.37Å; W1349-K1351 PolarHBondContact O-N 2.87Å |
| 1350 | E | 60.3 | Low | 60.6 | Low | 90 Ų | 90 | 72.5 Ų | 72.5 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 117.3 | 166.6 | -81.2 | -163.5 | 162.1 | 0 | 0 | 109.5 | N1342 T1343 R1352 | N1342-E1350 CarbonylContact C-O 3.54Å; N1342-E1350 WeakPolarHBondContact CA-O 3.29Å; T1343-E1350 PolarHBondContact N-O 2.67Å; T1343-E1350 PolarHBondContact O-N 3.45Å; E1350-R1352 IonicContact OE1-NH2 2.9Å; E1350-R1352 IonicContact OE2-CZ 2.86Å; E1350-R1352 IonicContact OE2-NE 3.46Å; E1350-R1352 PolarHBondContact OE2-NE 3.45Å; E1350-R1352 IonicContact OE2-NH2 3.91Å; E1350-R1352 PolarHBondContact OE2-NH2 2.7Å |
| 1351 | K | 57.7 | Low | 60.4 | Low | 130 Ų | 130 | 71.5 Ų | 71.5 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110.3 | 175.4 | -178.6 | 179 | -179.9 | -174.6 | 0 | 109.8 | Y1340 W1349 | Y1340-K1351 HydrophobicContact CD1-CD 4.32Å; Y1340-K1351 HydrophobicContact CD1-CG 4.33Å; W1349-K1351 PolarHBondContact O-N 2.87Å |
| 1352 | R | 60.1 | Low | 60.2 | Low | 136 Ų | 136 | 73.9 Ų | 73.9 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.5 | 175.4 | -58.6 | -177 | 177.6 | -142.7 | -1.3 | 109.2 | F1341 E1350 | F1341-R1352 CarbonylContact C-O 3.58Å; F1341-R1352 HydrophobicContact CD1-CB 4.48Å; F1341-R1352 PolarHBondContact N-O 3.32Å; F1341-R1352 WeakPolarHBondContact O-CA 3.41Å; F1341-R1352 WeakPolarHBondContact O-CB 3.12Å; F1341-R1352 PolarHBondContact O-N 2.94Å; E1350-R1352 IonicContact OE1-NH2 2.9Å; E1350-R1352 IonicContact OE2-CZ 2.86Å; E1350-R1352 IonicContact OE2-NE 3.46Å; E1350-R1352 PolarHBondContact OE2-NE 3.45Å; E1350-R1352 IonicContact OE2-NH2 3.91Å; E1350-R1352 PolarHBondContact OE2-NH2 2.7Å |
| 1353 | G | 56.2 | Low | 60.1 | Low | 36 Ų | 36 | 75 Ų | 75 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.6 | 169.5 | -166 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1354 | P | 61.5 | Low | 60.5 | Low | 77 Ų | 77 | 75.4 Ų | 75.4 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -81.2 | 157.8 | 37.1 | 28.3 | -34 | 0 | 0 | 0 | 115.7 | D1338 W1339 Y1340 | D1338-P1354 HydrophobicContact CB-CB 3.71Å; W1339-P1354 CarbonylContact O-C 3.57Å; W1339-P1354 VanDerWaalsContact O-CA 3.29Å; W1339-P1354 WeakPolarHBondContact O-CA 3.26Å; Y1340-P1354 HydrophobicContact CD1-CB 4.1Å; Y1340-P1354 HydrophobicContact CE1-CB 3.62Å; Y1340-P1354 HydrophobicContact CE1-CG 4.03Å |
| 1355 | F | 64.4 | Low | 61.5 | Low | 30 Ų | 30 | 75.7 Ų | 75.7 | 13% | 0.132 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.9 | 157.6 | 66.1 | -83.5 | 0 | 0 | 0 | 109.6 | W1339 L1387 Y1391 | W1339-F1355 HydrophobicContact CB-CD1 3.92Å; W1339-F1355 HydrophobicContact CB-CD2 4.13Å; W1339-F1355 HydrophobicContact CB-CE1 3.5Å; W1339-F1355 VanDerWaalsContact CB-CE1 3.5Å; W1339-F1355 HydrophobicContact CB-CE2 3.72Å; W1339-F1355 HydrophobicContact CB-CG 4.23Å; W1339-F1355 HydrophobicContact CB-CZ 3.39Å; W1339-F1355 HydrophobicContact CG-CE2 4.13Å; W1339-F1355 HydrophobicContact CG-CZ 4.01Å; W1339-F1355 PolarHBondContact N-O 2.92Å; W1339-F1355 VanDerWaalsContact O-CD1 3.31Å; W1339-F1355 WeakPolarHBondContact O-CD1 3.31Å; W1339-F1355 PolarHBondContact O-N 2.67Å; F1355-L1387 HydrophobicContact CE2-CB 4.29Å; F1355-L1387 WeakPolarHBondContact CE2-O 3.22Å; F1355-Y1391 WeakPolarHBondContact CD1-OH 3.22Å; F1355-Y1391 AromaticContact CE1-CE2 3.95Å; F1355-Y1391 HydrophobicContact CE1-CE2 3.95Å; F1355-Y1391 VanDerWaalsContact CE1-OH 3.25Å; F1355-Y1391 WeakPolarHBondContact CE1-OH 3.49Å; F1355-Y1391 HydrophobicContact CZ-CE2 4.23Å |
| 1356 | K | 62.9 | Low | 62.7 | Low | 150 Ų | 150 | 77.2 Ų | 77.2 | 65% | 0.652 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.4 | -178.9 | -76.9 | -171.2 | 174.6 | -167.1 | 0 | 111.5 | D1338 | D1338-K1356 WeakPolarHBondContact OD1-CE 3.29Å; D1338-K1356 WeakPolarHBondContact OD1-CG 2.79Å |
| 1357 | S | 60.8 | Low | 64.1 | Low | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | trans | -70.2 | 133.6 | 170.4 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | N1337 I1359 L1387 | N1337-S1357 PolarHBondContact ND2-O 2.97Å; N1337-S1357 PolarHBondContact O-N 2.89Å; S1357-I1359 VanDerWaalsContact CB-O 3.24Å; S1357-I1359 WeakPolarHBondContact CB-O 3.4Å; S1357-I1359 PolarHBondContact O-N 2.81Å; S1357-I1359 VanDerWaalsContact O-N 3.15Å; S1357-I1359 PolarHBondContact OG-N 2.83Å; S1357-I1359 PolarHBondContact OG-O 2.85Å; S1357-L1387 VanDerWaalsContact OG-CD2 3.24Å; S1357-L1387 WeakPolarHBondContact OG-CD2 3.43Å | ||
| 1358 | P | 62.6 | Low | 65.5 | Low | 98 Ų | 98 | 66.1 Ų | 66.1 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -70.1 | 2.3 | 166.9 | 31 | -35.8 | 0 | 0 | 0 | 113.1 | L1387 | P1358-L1387 HydrophobicContact CG-CD2 4.37Š|
| 1359 | I | 65.2 | Low | 66.9 | Low | 26 Ų | 26 | 62 Ų | 62 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -126.6 | 120.5 | 178.9 | -54.9 | 167.2 | 0 | 0 | 0 | 107.7 | N1337 S1357 L1382 R1385 L1387 | N1337-I1359 PolarHBondContact ND2-O 2.82Å; N1337-I1359 PolarHBondContact OD1-O 2.95Å; S1357-I1359 VanDerWaalsContact CB-O 3.24Å; S1357-I1359 WeakPolarHBondContact CB-O 3.4Å; S1357-I1359 PolarHBondContact O-N 2.81Å; S1357-I1359 VanDerWaalsContact O-N 3.15Å; S1357-I1359 PolarHBondContact OG-N 2.83Å; S1357-I1359 PolarHBondContact OG-O 2.85Å; I1359-L1382 HydrophobicContact CB-CD2 4.16Å; I1359-L1382 HydrophobicContact CD1-CB 4.2Å; I1359-L1382 HydrophobicContact CD1-CD2 4.33Å; I1359-L1382 HydrophobicContact CD1-CG 4.24Å; I1359-L1382 VanDerWaalsContact CD1-O 3.28Å; I1359-L1382 WeakPolarHBondContact CD1-O 3.48Å; I1359-L1382 HydrophobicContact CG2-CD2 4.1Å; I1359-R1385 HydrophobicContact CD1-CB 3.82Å; I1359-R1385 HydrophobicContact CD1-CG 4.38Å; I1359-L1387 HydrophobicContact CD1-CD2 4.18Å |
| 1360 | S | 67.4 | Low | 68.1 | Low | 92 Ų | 92 | 58.3 Ų | 58.3 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | trans | -81 | 139.4 | 166 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1361 | L | 69.7 | Low | 68.6 | Low | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | trans | -108.4 | 128.2 | 162.9 | -67.7 | 176.4 | 0 | 0 | 0 | 109.1 | V1309 L1332 L1334 D1365 F1367 L1382 | V1309-L1361 HydrophobicContact CG2-CB 4.26Å; V1309-L1361 HydrophobicContact CG2-CD1 4.32Å; L1332-L1361 HydrophobicContact CD2-CD1 3.95Å; L1334-L1361 HydrophobicContact CD2-CB 3.77Å; L1361-D1365 WeakPolarHBondContact CA-OD2 3.5Å; L1361-D1365 HydrophobicContact CD2-CB 4.03Å; L1361-F1367 HydrophobicContact CD1-CB 3.97Å; L1361-F1367 HydrophobicContact CD1-CD1 4.27Å; L1361-F1367 HydrophobicContact CD1-CG 4.08Å; L1361-F1367 HydrophobicContact CD2-CB 4.01Å; L1361-L1382 HydrophobicContact CD1-CD1 4.29Å; L1361-L1382 HydrophobicContact CD1-CD2 4.16Å; L1361-L1382 HydrophobicContact CG-CD2 4.23Å | ||
| 1362 | A | 69.1 | Low | 69.4 | Low | 54 Ų | 54 | 50.8 Ų | 50.8 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | trans | -94.7 | 166.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1309 G1364 D1365 | V1309-A1362 WeakPolarHBondContact CB-O 3.41Å; A1362-G1364 PolarHBondContact O-N 2.8Å; A1362-D1365 PolarHBondContact N-OD2 2.83Å; A1362-D1365 WeakPolarHBondContact O-CB 3.37Å; A1362-D1365 PolarHBondContact O-N 3.46Å; A1362-D1365 VanDerWaalsContact O-N 3.14Å | ||
| 1363 | G | 70.9 | Confident | 69.8 | Low | 43 Ų | 43 | 45.1 Ų | 45.1 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 123.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1310 | K1310-G1363 WeakPolarHBondContact O-CA 3.48Š|
| 1364 | G | 72.8 | Confident | 70.2 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -11 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1308 V1309 A1362 | K1308-G1364 WeakPolarHBondContact CE-O 3.32Å; K1308-G1364 WeakPolarHBondContact CG-O 3.01Å; V1309-G1364 VanDerWaalsContact O-CA 3.28Å; V1309-G1364 WeakPolarHBondContact O-CA 3.5Å; V1309-G1364 PolarHBondContact O-N 3.2Å; A1362-G1364 PolarHBondContact O-N 2.8Å |
| 1365 | D | 77.9 | Confident | 70.3 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | trans | -71.6 | 140.4 | -177.4 | -78.8 | -13.8 | 0 | 0 | 0 | 113.1 | K1308 V1309 L1361 A1362 | K1308-D1365 CarbonylContact C-O 3.56Å; K1308-D1365 VanDerWaalsContact CA-O 3.28Å; K1308-D1365 WeakPolarHBondContact CA-O 3.3Å; K1308-D1365 WeakPolarHBondContact CG-O 3.34Å; V1309-D1365 HydrophobicContact CG2-CB 4.38Å; V1309-D1365 PolarHBondContact N-O 3.03Å; L1361-D1365 WeakPolarHBondContact CA-OD2 3.5Å; L1361-D1365 HydrophobicContact CD2-CB 4.03Å; A1362-D1365 PolarHBondContact N-OD2 2.83Å; A1362-D1365 WeakPolarHBondContact O-CB 3.37Å; A1362-D1365 PolarHBondContact O-N 3.46Å; A1362-D1365 VanDerWaalsContact O-N 3.14Å | ||
| 1366 | A | 79.3 | Confident | 70.1 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1367 | F | 77.3 | Confident | 70.3 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.4 | -175.6 | 71.9 | -90 | 0 | 0 | 0 | 113.7 | V1306 G1307 V1309 I1316 L1361 L1369 L1382 N1383 M1403 I1407 | V1306-F1367 WeakPolarHBondContact CA-O 3.44Å; V1306-F1367 WeakPolarHBondContact CG1-O 3.49Å; G1307-F1367 PolarHBondContact N-O 3.38Å; G1307-F1367 VanDerWaalsContact O-CD1 3.25Å; G1307-F1367 WeakPolarHBondContact O-CD1 3.06Å; G1307-F1367 PolarHBondContact O-N 2.96Å; V1309-F1367 HydrophobicContact CG2-CD1 3.83Å; V1309-F1367 HydrophobicContact CG2-CE1 4.04Å; I1316-F1367 HydrophobicContact CD1-CD1 4.48Å; I1316-F1367 HydrophobicContact CD1-CE1 3.79Å; I1316-F1367 HydrophobicContact CD1-CZ 3.92Å; I1316-F1367 HydrophobicContact CG2-CZ 4.37Å; L1361-F1367 HydrophobicContact CD1-CB 3.97Å; L1361-F1367 HydrophobicContact CD1-CD1 4.27Å; L1361-F1367 HydrophobicContact CD1-CG 4.08Å; L1361-F1367 HydrophobicContact CD2-CB 4.01Å; F1367-L1369 HydrophobicContact CD2-CB 4.32Å; F1367-L1369 HydrophobicContact CE2-CB 4.46Å; F1367-L1382 HydrophobicContact CB-CD1 3.88Å; F1367-L1382 HydrophobicContact CD2-CD1 4.29Å; F1367-L1382 HydrophobicContact CG-CD1 4.49Å; F1367-N1383 WeakPolarHBondContact CA-OD1 3.44Å; F1367-M1403 HydrophobicContact CE2-SD 4.08Å; F1367-M1403 HydrophobicContact CZ-SD 4.12Å; F1367-I1407 HydrophobicContact CE1-CG1 4.26Å; F1367-I1407 HydrophobicContact CE1-CG2 4.3Å; F1367-I1407 HydrophobicContact CZ-CD1 4.03Å; F1367-I1407 HydrophobicContact CZ-CG1 4.06Å; F1367-I1407 HydrophobicContact CZ-CG2 4.34Å |
| 1368 | K | 79.8 | Confident | 70.6 | Confident | 60 Ų | 60 | 45.5 Ų | 45.5 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 106.8 | 172.7 | -174.6 | -158.5 | -163.8 | -158.8 | 0 | 108.2 | T1304 V1306 E1370 L1382 N1383 E1384 | T1304-K1368 HydrophobicContact CG2-CG 4.05Å; V1306-K1368 HydrophobicContact CG2-CG 4.14Å; K1368-E1370 WeakPolarHBondContact CE-OE1 3.46Å; K1368-E1370 IonicContact NZ-OE1 3.07Å; K1368-E1370 PolarHBondContact NZ-OE1 2.85Å; K1368-L1382 CarbonylContact O-C 3.44Å; K1368-L1382 WeakPolarHBondContact O-CA 3.29Å; K1368-N1383 PolarHBondContact N-OD1 3.42Å; K1368-N1383 PolarHBondContact O-N 3.34Å; K1368-E1384 HydrophobicContact CD-CG 4.14Å; K1368-E1384 IonicContact NZ-OE1 2.84Å; K1368-E1384 PolarHBondContact NZ-OE1 2.82Å |
| 1369 | L | 76.6 | Confident | 71.1 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.7 | 176.6 | -164.3 | 78.2 | 0 | 0 | 0 | 109.7 | T1304 A1305 V1318 W1339 F1367 L1380 Y1381 L1382 L1387 | T1304-L1369 CarbonylContact C-O 3.3Å; T1304-L1369 WeakPolarHBondContact CA-O 3.23Å; A1305-L1369 PolarHBondContact N-O 3.29Å; A1305-L1369 PolarHBondContact O-N 3.32Å; V1318-L1369 HydrophobicContact CG2-CD2 3.83Å; W1339-L1369 HydrophobicContact CH2-CD1 3.41Å; W1339-L1369 VanDerWaalsContact CH2-CD1 3.41Å; W1339-L1369 HydrophobicContact CH2-CD2 3.84Å; W1339-L1369 HydrophobicContact CH2-CG 4.29Å; W1339-L1369 HydrophobicContact CZ2-CD1 3.86Å; W1339-L1369 HydrophobicContact CZ3-CD1 4.28Å; W1339-L1369 HydrophobicContact CZ3-CD2 4.19Å; F1367-L1369 HydrophobicContact CD2-CB 4.32Å; F1367-L1369 HydrophobicContact CE2-CB 4.46Å; L1369-L1380 HydrophobicContact CD1-CD2 3.68Å; L1369-L1380 HydrophobicContact CD2-CD2 3.94Å; L1369-L1380 HydrophobicContact CG-CD2 3.63Å; L1369-Y1381 CarbonylContact C-O 3.5Å; L1369-Y1381 WeakPolarHBondContact CA-O 3.49Å; L1369-L1382 HydrophobicContact CD1-CB 4.09Å; L1369-L1382 HydrophobicContact CD1-CD1 3.95Å; L1369-L1387 HydrophobicContact CD1-CD1 4.34Å |
| 1370 | E | 77.1 | Confident | 71.3 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.4 | 175.9 | -51.5 | 179 | -172.9 | 0 | 0 | 110.7 | T1302 V1303 T1304 K1368 R1372 L1380 Y1381 | T1302-E1370 HydrophobicContact CG2-CB 4.01Å; T1302-E1370 HydrophobicContact CG2-CG 4.45Å; V1303-E1370 CarbonylContact O-C 3.56Å; V1303-E1370 WeakPolarHBondContact O-CA 3.3Å; T1304-E1370 HydrophobicContact CG2-CG 4.18Å; K1368-E1370 WeakPolarHBondContact CE-OE1 3.46Å; K1368-E1370 IonicContact NZ-OE1 3.07Å; K1368-E1370 PolarHBondContact NZ-OE1 2.85Å; E1370-R1372 IonicContact OE1-NH2 2.69Å; E1370-R1372 IonicContact OE2-CZ 2.7Å; E1370-R1372 IonicContact OE2-NE 2.9Å; E1370-R1372 PolarHBondContact OE2-NE 3.22Å; E1370-R1372 IonicContact OE2-NH2 3.54Å; E1370-R1372 PolarHBondContact OE2-NH2 3.03Å; E1370-L1380 CarbonylContact O-C 3.54Å; E1370-L1380 WeakPolarHBondContact O-CA 3.49Å; E1370-Y1381 PolarHBondContact N-O 2.68Å; E1370-Y1381 PolarHBondContact O-N 2.9Å |
| 1371 | A | 71.7 | Confident | 71.8 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 104.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | T1302 V1303 L1380 | T1302-A1371 WeakPolarHBondContact CA-O 3.22Å; V1303-A1371 HydrophobicContact CB-CB 4.46Å; V1303-A1371 PolarHBondContact N-O 3.21Å; V1303-A1371 PolarHBondContact O-N 2.58Å; A1371-L1380 HydrophobicContact CB-CG 4.49Å |
| 1372 | R | 74.8 | Confident | 72.2 | Confident | 54 Ų | 54 | 39 Ų | 39 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.5 | 179.2 | -59.3 | -172.9 | -174.9 | 171 | -1.8 | 109.2 | T1302 E1370 A1378 E1379 Y1381 | T1302-R1372 HydrophobicContact CG2-CG 3.86Å; E1370-R1372 IonicContact OE1-NH2 2.69Å; E1370-R1372 IonicContact OE2-CZ 2.7Å; E1370-R1372 IonicContact OE2-NE 2.9Å; E1370-R1372 PolarHBondContact OE2-NE 3.22Å; E1370-R1372 IonicContact OE2-NH2 3.54Å; E1370-R1372 PolarHBondContact OE2-NH2 3.03Å; R1372-A1378 CarbonylContact O-C 3.53Å; R1372-A1378 WeakPolarHBondContact O-CA 3.22Å; R1372-E1379 PolarHBondContact N-O 3.37Å; R1372-E1379 PolarHBondContact O-N 2.6Å; R1372-Y1381 HydrophobicContact CB-CE2 4.36Å; R1372-Y1381 HydrophobicContact CG-CD2 4.06Å; R1372-Y1381 HydrophobicContact CG-CE2 4.02Å |
| 1373 | M | 67.9 | Low | 72.5 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.4 | -168.7 | -58.8 | 173.2 | -68.5 | 0 | 0 | 112.2 | T1300 K1301 V1303 L1320 V1377 A1378 L1393 V1398 | T1300-M1373 CarbonylContact C-O 3.58Å; T1300-M1373 WeakPolarHBondContact CA-O 3.15Å; T1300-M1373 WeakPolarHBondContact CG2-O 3.29Å; K1301-M1373 HydrophobicContact CB-CE 4.05Å; K1301-M1373 PolarHBondContact N-O 3.13Å; K1301-M1373 WeakPolarHBondContact O-CB 3.31Å; K1301-M1373 WeakPolarHBondContact O-CE 3.35Å; K1301-M1373 PolarHBondContact O-N 3.42Å; V1303-M1373 HydrophobicContact CG2-CE 3.57Å; L1320-M1373 HydrophobicContact CD1-SD 4.24Å; M1373-V1377 CarbonylContact C-O 3.57Å; M1373-V1377 VanDerWaalsContact CA-O 3.3Å; M1373-V1377 WeakPolarHBondContact CA-O 2.94Å; M1373-A1378 HydrophobicContact CG-CB 3.97Å; M1373-L1393 HydrophobicContact CG-CD1 4.15Å; M1373-L1393 HydrophobicContact SD-CD1 3.8Å; M1373-V1398 HydrophobicContact CE-CB 4.15Å; M1373-V1398 HydrophobicContact CE-CG2 3.73Å; M1373-V1398 HydrophobicContact SD-CB 4.45Å; M1373-V1398 HydrophobicContact SD-CG2 3.42Å; M1373-V1398 WeakPolarHBondContact SD-CG2 3.44Å |
| 1374 | K | 63.6 | Low | 72.6 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.7 | 177.9 | -164.9 | -168 | 171.5 | -164.6 | 0 | 109.8 | T1300 G1376 V1377 | T1300-K1374 HydrophobicContact CG2-CB 4.28Å; K1374-G1376 PolarHBondContact O-N 3.01Å; K1374-V1377 PolarHBondContact N-O 3.08Å; K1374-V1377 WeakPolarHBondContact O-CA 3.48Å; K1374-V1377 PolarHBondContact O-N 3.08Å; K1374-V1377 VanDerWaalsContact O-O 3.13Å |
| 1375 | D | 63.4 | Low | 72.5 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 67% | 0.674 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 30.4 | 172 | -55.7 | -40 | 0 | 0 | 0 | 115.9 | ||
| 1376 | G | 60.2 | Low | 72.4 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 18.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1374 R1392 L1393 | K1374-G1376 PolarHBondContact O-N 3.01Å; G1376-R1392 CarbonylContact O-C 3.5Å; G1376-R1392 WeakPolarHBondContact O-CA 3.2Å; G1376-L1393 PolarHBondContact O-N 3Å |
| 1377 | V | 67.5 | Low | 71.7 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 28% | 0.279 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.5 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | M1373 K1374 S1390 Y1391 R1392 | M1373-V1377 CarbonylContact C-O 3.57Å; M1373-V1377 VanDerWaalsContact CA-O 3.3Å; M1373-V1377 WeakPolarHBondContact CA-O 2.94Å; K1374-V1377 PolarHBondContact N-O 3.08Å; K1374-V1377 WeakPolarHBondContact O-CA 3.48Å; K1374-V1377 PolarHBondContact O-N 3.08Å; K1374-V1377 VanDerWaalsContact O-O 3.13Å; V1377-S1390 VanDerWaalsContact CG1-CB 3.49Å; V1377-Y1391 CarbonylContact C-O 3.59Å; V1377-Y1391 WeakPolarHBondContact CA-O 3.21Å; V1377-R1392 HydrophobicContact CG2-CG 4.45Å |
| 1378 | A | 68.1 | Low | 70.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1372 M1373 S1390 Y1391 L1393 | R1372-A1378 CarbonylContact O-C 3.53Å; R1372-A1378 WeakPolarHBondContact O-CA 3.22Å; M1373-A1378 HydrophobicContact CG-CB 3.97Å; A1378-S1390 CarbonylContact O-C 3.52Å; A1378-Y1391 PolarHBondContact N-O 2.66Å; A1378-Y1391 PolarHBondContact O-N 3.03Å; A1378-L1393 HydrophobicContact CB-CD1 3.98Å; A1378-L1393 HydrophobicContact CB-CD2 3.77Å; A1378-L1393 HydrophobicContact CB-CG 3.85Å |
| 1379 | E | 73.4 | Confident | 70.1 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.2 | 170.2 | -50.5 | -151 | 136.9 | 0 | 0 | 109.7 | R1372 Y1381 K1386 S1390 | R1372-E1379 PolarHBondContact N-O 3.37Å; R1372-E1379 PolarHBondContact O-N 2.6Å; E1379-Y1381 HydrophobicContact CB-CE2 3.98Å; E1379-K1386 IonicContact OE1-NZ 2.88Å; E1379-K1386 PolarHBondContact OE1-NZ 3.29Å; E1379-K1386 WeakPolarHBondContact OE2-CE 3.47Å; E1379-K1386 IonicContact OE2-NZ 3.75Å; E1379-K1386 PolarHBondContact OE2-NZ 3.47Å; E1379-S1390 WeakPolarHBondContact OE1-CB 2.99Å; E1379-S1390 PolarHBondContact OE1-OG 2.79Å |
| 1380 | L | 69.6 | Low | 69.6 | Low | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.2 | -178.9 | -107.5 | 157 | 0 | 0 | 0 | 112.3 | F1330 L1369 E1370 A1371 K1386 L1387 S1388 | F1330-L1380 HydrophobicContact CB-CD1 4.25Å; F1330-L1380 HydrophobicContact CD1-CD1 3.14Å; F1330-L1380 HydrophobicContact CD2-CD1 3.94Å; F1330-L1380 HydrophobicContact CE1-CD1 3.22Å; F1330-L1380 HydrophobicContact CE1-CG 4.47Å; F1330-L1380 HydrophobicContact CE2-CD1 4.02Å; F1330-L1380 HydrophobicContact CG-CD1 3.51Å; F1330-L1380 HydrophobicContact CZ-CD1 3.67Å; L1369-L1380 HydrophobicContact CD1-CD2 3.68Å; L1369-L1380 HydrophobicContact CD2-CD2 3.94Å; L1369-L1380 HydrophobicContact CG-CD2 3.63Å; E1370-L1380 CarbonylContact O-C 3.54Å; E1370-L1380 WeakPolarHBondContact O-CA 3.49Å; A1371-L1380 HydrophobicContact CB-CG 4.49Å; L1380-K1386 CarbonylContact O-C 3.59Å; L1380-K1386 WeakPolarHBondContact O-CA 3.31Å; L1380-L1387 PolarHBondContact O-N 2.64Å; L1380-S1388 PolarHBondContact N-OG 3.41Å |
| 1381 | Y | 77.3 | Confident | 69 | Low | 40 Ų | 40 | 54.3 Ų | 54.3 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.8 | 174 | -62.3 | -109.6 | 0 | 0 | 0 | 109.8 | L1369 E1370 R1372 E1379 E1384 R1385 K1386 | L1369-Y1381 CarbonylContact C-O 3.5Å; L1369-Y1381 WeakPolarHBondContact CA-O 3.49Å; E1370-Y1381 PolarHBondContact N-O 2.68Å; E1370-Y1381 PolarHBondContact O-N 2.9Å; R1372-Y1381 HydrophobicContact CB-CE2 4.36Å; R1372-Y1381 HydrophobicContact CG-CD2 4.06Å; R1372-Y1381 HydrophobicContact CG-CE2 4.02Å; E1379-Y1381 HydrophobicContact CB-CE2 3.98Å; Y1381-E1384 WeakPolarHBondContact CD1-O 3.3Å; Y1381-R1385 CarbonylContact C-O 3.54Å; Y1381-R1385 WeakPolarHBondContact CA-O 3.41Å; Y1381-K1386 HydrophobicContact CD1-CB 3.94Å; Y1381-K1386 HydrophobicContact CE1-CB 3.75Å; Y1381-K1386 HydrophobicContact CE1-CG 4.41Å |
| 1382 | L | 77.7 | Confident | 68.7 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.6 | 172.4 | 174.8 | 64.9 | 0 | 0 | 0 | 108 | W1339 I1359 L1361 F1367 K1368 L1369 E1384 R1385 L1387 | W1339-L1382 HydrophobicContact CZ2-CD2 4.44Å; I1359-L1382 HydrophobicContact CB-CD2 4.16Å; I1359-L1382 HydrophobicContact CD1-CB 4.2Å; I1359-L1382 HydrophobicContact CD1-CD2 4.33Å; I1359-L1382 HydrophobicContact CD1-CG 4.24Å; I1359-L1382 VanDerWaalsContact CD1-O 3.28Å; I1359-L1382 WeakPolarHBondContact CD1-O 3.48Å; I1359-L1382 HydrophobicContact CG2-CD2 4.1Å; L1361-L1382 HydrophobicContact CD1-CD1 4.29Å; L1361-L1382 HydrophobicContact CD1-CD2 4.16Å; L1361-L1382 HydrophobicContact CG-CD2 4.23Å; F1367-L1382 HydrophobicContact CB-CD1 3.88Å; F1367-L1382 HydrophobicContact CD2-CD1 4.29Å; F1367-L1382 HydrophobicContact CG-CD1 4.49Å; K1368-L1382 CarbonylContact O-C 3.44Å; K1368-L1382 WeakPolarHBondContact O-CA 3.29Å; L1369-L1382 HydrophobicContact CD1-CB 4.09Å; L1369-L1382 HydrophobicContact CD1-CD1 3.95Å; L1382-E1384 PolarHBondContact O-N 2.95Å; L1382-R1385 PolarHBondContact N-O 3.49Å; L1382-R1385 PolarHBondContact O-N 3.26Å; L1382-R1385 VanDerWaalsContact O-N 3.08Å; L1382-L1387 HydrophobicContact CB-CD1 3.51Å; L1382-L1387 HydrophobicContact CB-CD2 3.87Å; L1382-L1387 HydrophobicContact CB-CG 3.61Å; L1382-L1387 HydrophobicContact CD2-CD1 4.08Å; L1382-L1387 HydrophobicContact CD2-CD2 4.27Å; L1382-L1387 HydrophobicContact CG-CD1 4.42Å |
| 1383 | N | 76.4 | Confident | 68.3 | Low | 74 Ų | 74 | 62.4 Ų | 62.4 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 48.4 | -171.6 | -64 | -6.8 | 0 | 0 | 0 | 110.9 | F1367 K1368 R1385 | F1367-N1383 WeakPolarHBondContact CA-OD1 3.44Å; K1368-N1383 PolarHBondContact N-OD1 3.42Å; K1368-N1383 PolarHBondContact O-N 3.34Å; N1383-R1385 PolarHBondContact O-N 2.96Å |
| 1384 | E | 72.9 | Confident | 68 | Low | 122 Ų | 122 | 63.8 Ų | 63.8 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 3 | 178.7 | -52.6 | -172.5 | -180 | 0 | 0 | 116.4 | K1368 Y1381 L1382 | K1368-E1384 HydrophobicContact CD-CG 4.14Å; K1368-E1384 IonicContact NZ-OE1 2.84Å; K1368-E1384 PolarHBondContact NZ-OE1 2.82Å; Y1381-E1384 WeakPolarHBondContact CD1-O 3.3Å; L1382-E1384 PolarHBondContact O-N 2.95Å |
| 1385 | R | 70.7 | Confident | 67.8 | Low | 172 Ų | 172 | 58.2 Ų | 58.2 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.9 | 171.4 | -68.4 | 178.6 | 174.2 | -169.3 | -2.5 | 111.1 | I1359 Y1381 L1382 N1383 L1387 | I1359-R1385 HydrophobicContact CD1-CB 3.82Å; I1359-R1385 HydrophobicContact CD1-CG 4.38Å; Y1381-R1385 CarbonylContact C-O 3.54Å; Y1381-R1385 WeakPolarHBondContact CA-O 3.41Å; L1382-R1385 PolarHBondContact N-O 3.49Å; L1382-R1385 PolarHBondContact O-N 3.26Å; L1382-R1385 VanDerWaalsContact O-N 3.08Å; N1383-R1385 PolarHBondContact O-N 2.96Å; R1385-L1387 PolarHBondContact O-N 3.42Å |
| 1386 | K | 74.3 | Confident | 67.5 | Low | 90 Ų | 90 | 61.2 Ų | 61.2 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.7 | 178.6 | -173.3 | 168.7 | 177.4 | 168.1 | 0 | 110.6 | E1379 L1380 Y1381 S1388 | E1379-K1386 IonicContact OE1-NZ 2.88Å; E1379-K1386 PolarHBondContact OE1-NZ 3.29Å; E1379-K1386 WeakPolarHBondContact OE2-CE 3.47Å; E1379-K1386 IonicContact OE2-NZ 3.75Å; E1379-K1386 PolarHBondContact OE2-NZ 3.47Å; L1380-K1386 CarbonylContact O-C 3.59Å; L1380-K1386 WeakPolarHBondContact O-CA 3.31Å; Y1381-K1386 HydrophobicContact CD1-CB 3.94Å; Y1381-K1386 HydrophobicContact CE1-CB 3.75Å; Y1381-K1386 HydrophobicContact CE1-CG 4.41Å; K1386-S1388 WeakPolarHBondContact CE-O 3.38Å |
| 1387 | L | 64.6 | Low | 67.4 | Low | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | trans | -90.4 | -35 | 179.4 | -73.9 | -170.7 | 0 | 0 | 0 | 113.4 | W1339 F1355 S1357 P1358 I1359 L1369 L1380 L1382 R1385 | W1339-L1387 HydrophobicContact CD2-CD1 4.23Å; W1339-L1387 HydrophobicContact CH2-CD1 4.44Å; W1339-L1387 HydrophobicContact CZ2-CD1 3.66Å; F1355-L1387 HydrophobicContact CE2-CB 4.29Å; F1355-L1387 WeakPolarHBondContact CE2-O 3.22Å; S1357-L1387 VanDerWaalsContact OG-CD2 3.24Å; S1357-L1387 WeakPolarHBondContact OG-CD2 3.43Å; P1358-L1387 HydrophobicContact CG-CD2 4.37Å; I1359-L1387 HydrophobicContact CD1-CD2 4.18Å; L1369-L1387 HydrophobicContact CD1-CD1 4.34Å; L1380-L1387 PolarHBondContact O-N 2.64Å; L1382-L1387 HydrophobicContact CB-CD1 3.51Å; L1382-L1387 HydrophobicContact CB-CD2 3.87Å; L1382-L1387 HydrophobicContact CB-CG 3.61Å; L1382-L1387 HydrophobicContact CD2-CD1 4.08Å; L1382-L1387 HydrophobicContact CD2-CD2 4.27Å; L1382-L1387 HydrophobicContact CG-CD1 4.42Å; R1385-L1387 PolarHBondContact O-N 3.42Å | ||
| 1388 | S | 62.2 | Low | 67.1 | Low | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -125 | 159 | -161.1 | 76.1 | 0 | 0 | 0 | 0 | 114.2 | L1380 K1386 | L1380-S1388 PolarHBondContact N-OG 3.41Å; K1386-S1388 WeakPolarHBondContact CE-O 3.38Å |
| 1389 | P | 62.4 | Low | 66.4 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | trans | -54.4 | 160.5 | 150.6 | -20.3 | 33.4 | 0 | 0 | 0 | 111.6 | Y1391 | P1389-Y1391 PolarHBondContact O-N 3.07Š| ||
| 1390 | S | 65.6 | Low | 65.8 | Low | 61 Ų | 61 | 68 Ų | 68 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | trans | -76.8 | 110.2 | 177.5 | -33.1 | 0 | 0 | 0 | 0 | 109.7 | V1377 A1378 E1379 | V1377-S1390 VanDerWaalsContact CG1-CB 3.49Å; A1378-S1390 CarbonylContact O-C 3.52Å; E1379-S1390 WeakPolarHBondContact OE1-CB 2.99Å; E1379-S1390 PolarHBondContact OE1-OG 2.79Å | ||
| 1391 | Y | 64.7 | Low | 65.6 | Low | 40 Ų | 40 | 68 Ų | 68 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.1 | -175.2 | -68.6 | -59.3 | 0 | 0 | 0 | 112.2 | F1330 F1341 F1355 V1377 A1378 P1389 L1393 | F1330-Y1391 HydrophobicContact CE1-CD2 4.24Å; F1341-Y1391 HydrophobicContact CB-CD2 4.49Å; F1341-Y1391 HydrophobicContact CB-CE2 4.21Å; F1341-Y1391 AromaticContact CD1-CD1 3.8Å; F1341-Y1391 HydrophobicContact CD1-CD1 3.8Å; F1341-Y1391 HydrophobicContact CD1-CD2 4.05Å; F1341-Y1391 HydrophobicContact CD1-CE1 4.24Å; F1341-Y1391 HydrophobicContact CD1-CE2 4.44Å; F1341-Y1391 AromaticContact CD1-CG 3.71Å; F1341-Y1391 HydrophobicContact CD1-CG 3.71Å; F1341-Y1391 HydrophobicContact CE1-CD1 4.12Å; F1341-Y1391 HydrophobicContact CE1-CD2 4.44Å; F1341-Y1391 AromaticContact CE1-CG 3.84Å; F1341-Y1391 HydrophobicContact CE1-CG 3.84Å; F1341-Y1391 HydrophobicContact CG-CD2 4.19Å; F1341-Y1391 HydrophobicContact CG-CE2 4.39Å; F1341-Y1391 HydrophobicContact CG-CG 4.32Å; F1341-Y1391 HydrophobicContact CZ-CG 4.5Å; F1355-Y1391 WeakPolarHBondContact CD1-OH 3.22Å; F1355-Y1391 AromaticContact CE1-CE2 3.95Å; F1355-Y1391 HydrophobicContact CE1-CE2 3.95Å; F1355-Y1391 VanDerWaalsContact CE1-OH 3.25Å; F1355-Y1391 WeakPolarHBondContact CE1-OH 3.49Å; F1355-Y1391 HydrophobicContact CZ-CE2 4.23Å; V1377-Y1391 CarbonylContact C-O 3.59Å; V1377-Y1391 WeakPolarHBondContact CA-O 3.21Å; A1378-Y1391 PolarHBondContact N-O 2.66Å; A1378-Y1391 PolarHBondContact O-N 3.03Å; P1389-Y1391 PolarHBondContact O-N 3.07Å; Y1391-L1393 PolarHBondContact O-N 2.81Å |
| 1392 | R | 66.3 | Low | 65 | Low | 213 Ų | 213 | 66.9 Ų | 66.9 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.4 | 173.3 | -141.5 | 176.4 | -160.1 | 175.7 | 5.8 | 109.9 | G1376 V1377 | G1376-R1392 CarbonylContact O-C 3.5Å; G1376-R1392 WeakPolarHBondContact O-CA 3.2Å; V1377-R1392 HydrophobicContact CG2-CG 4.45Å |
| 1393 | L | 65.1 | Low | 64.8 | Low | 17 Ų | 17 | 66.9 Ų | 66.9 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 149 | 178 | -63.8 | -177.3 | 0 | 0 | 0 | 111 | M1322 F1341 M1373 G1376 A1378 Y1391 G1395 | M1322-L1393 HydrophobicContact CE-CB 4.2Å; M1322-L1393 HydrophobicContact CE-CD1 3.82Å; M1322-L1393 HydrophobicContact CE-CD2 3.84Å; M1322-L1393 HydrophobicContact CE-CG 4.17Å; M1322-L1393 HydrophobicContact SD-CD1 4.23Å; F1341-L1393 HydrophobicContact CE2-CD2 4.44Å; F1341-L1393 HydrophobicContact CZ-CD2 4.11Å; M1373-L1393 HydrophobicContact CG-CD1 4.15Å; M1373-L1393 HydrophobicContact SD-CD1 3.8Å; G1376-L1393 PolarHBondContact O-N 3Å; A1378-L1393 HydrophobicContact CB-CD1 3.98Å; A1378-L1393 HydrophobicContact CB-CD2 3.77Å; A1378-L1393 HydrophobicContact CB-CG 3.85Å; Y1391-L1393 PolarHBondContact O-N 2.81Å; L1393-G1395 WeakPolarHBondContact CB-O 3.2Å; L1393-G1395 PolarHBondContact O-N 2.9Å; L1393-G1395 VanDerWaalsContact O-N 3.08Å |
| 1394 | P | 62.8 | Low | 64.6 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -75.5 | 15.9 | 174.5 | 31.3 | -35 | 0 | 0 | 0 | 114.2 | M1322 S1324 S1326 S1328 T1343 | M1322-P1394 HydrophobicContact CG-CG 4.41Å; S1324-P1394 PolarHBondContact OG-O 3.05Å; S1326-P1394 WeakPolarHBondContact OG-CB 3.43Å; S1326-P1394 WeakPolarHBondContact OG-CG 3.08Å; S1326-P1394 PolarHBondContact OG-O 2.93Å; S1328-P1394 VanDerWaalsContact OG-CD 3.3Å; S1328-P1394 WeakPolarHBondContact OG-CD 3.37Å; T1343-P1394 HydrophobicContact CG2-CG 4.35Å |
| 1395 | G | 58.9 | Low | 64.7 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -163.3 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1324 L1393 | S1324-G1395 WeakPolarHBondContact OG-CA 3.17Å; L1393-G1395 WeakPolarHBondContact CB-O 3.2Å; L1393-G1395 PolarHBondContact O-N 2.9Å; L1393-G1395 VanDerWaalsContact O-N 3.08Å |
| 1396 | R | 56.8 | Low | 65 | Low | 189 Ų | 189 | 54.7 Ų | 54.7 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -100 | -24.3 | -176.2 | -69 | -169.8 | -176 | -159.7 | 3.3 | 113.1 | D1323 | D1323-R1396 PolarHBondContact OD1-N 3.17Š|
| 1397 | I | 58.9 | Low | 64.8 | Low | 74 Ų | 74 | 51 Ų | 51 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -131.8 | 123.3 | -175.2 | -51.2 | 175.4 | 0 | 0 | 0 | 109.2 | M1322 D1323 Q1399 | M1322-I1397 CarbonylContact C-O 3.55Å; M1322-I1397 WeakPolarHBondContact CA-O 3.21Å; D1323-I1397 HydrophobicContact CB-CB 3.99Å; D1323-I1397 WeakPolarHBondContact CB-O 3.3Å; D1323-I1397 PolarHBondContact N-O 3.26Å; D1323-I1397 PolarHBondContact OD1-N 3.35Å; I1397-Q1399 PolarHBondContact O-N 2.73Å |
| 1398 | V | 59.6 | Low | 64.8 | Low | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.2 | 167.5 | 170.7 | 0 | 0 | 0 | 0 | 109.1 | L1320 K1321 M1322 M1373 K1400 | L1320-V1398 HydrophobicContact CB-CG1 4.45Å; L1320-V1398 HydrophobicContact CB-CG2 4.14Å; L1320-V1398 HydrophobicContact CD1-CG2 4.14Å; L1320-V1398 HydrophobicContact CD2-CG1 4.35Å; K1321-V1398 CarbonylContact O-C 3.49Å; K1321-V1398 WeakPolarHBondContact O-CA 3.31Å; M1322-V1398 HydrophobicContact CE-CG2 4.15Å; M1322-V1398 HydrophobicContact SD-CG2 3.7Å; M1373-V1398 HydrophobicContact CE-CB 4.15Å; M1373-V1398 HydrophobicContact CE-CG2 3.73Å; M1373-V1398 HydrophobicContact SD-CB 4.45Å; M1373-V1398 HydrophobicContact SD-CG2 3.42Å; M1373-V1398 WeakPolarHBondContact SD-CG2 3.44Å; V1398-K1400 WeakPolarHBondContact CG1-O 3.49Å |
| 1399 | Q | 55.1 | Low | 64.2 | Low | 104 Ų | 104 | 58.2 Ų | 58.2 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -31.8 | 172.6 | -73.9 | -173.6 | -10.7 | 0 | 0 | 112.5 | K1321 D1323 I1397 | K1321-Q1399 PolarHBondContact O-N 3.05Å; D1323-Q1399 HydrophobicContact CB-CG 4.31Å; I1397-Q1399 PolarHBondContact O-N 2.73Å |
| 1400 | K | 60.4 | Low | 64.2 | Low | 58 Ų | 58 | 57.4 Ų | 57.4 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 135.2 | -172.5 | 172.5 | -176.4 | 168.1 | -174.9 | 0 | 110.2 | L1289 K1321 V1398 T1402 | L1289-K1400 HydrophobicContact CD1-CD 4.21Å; K1321-K1400 HydrophobicContact CB-CB 4.35Å; K1321-K1400 PolarHBondContact N-O 3.05Å; K1321-K1400 PolarHBondContact O-N 3.3Å; V1398-K1400 WeakPolarHBondContact CG1-O 3.49Å; K1400-T1402 HydrophobicContact CD-CG2 4.49Å; K1400-T1402 HydrophobicContact CG-CG2 4.37Å |
| 1401 | A | 65.9 | Low | 64 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1303 D1319 L1320 I1412 | V1303-A1401 HydrophobicContact CG1-CB 3.62Å; V1303-A1401 HydrophobicContact CG2-CB 4.36Å; D1319-A1401 CarbonylContact O-C 3.55Å; D1319-A1401 WeakPolarHBondContact O-CA 3.37Å; L1320-A1401 HydrophobicContact CD2-CB 3.63Å; A1401-I1412 HydrophobicContact CB-CG2 4.18Å |
| 1402 | T | 64.9 | Low | 63.8 | Low | 18 Ų | 18 | 56.2 Ų | 56.2 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 133.3 | -178 | 32.9 | 0 | 0 | 0 | 0 | 111.3 | P1287 I1288 V1318 D1319 K1400 | P1287-T1402 HydrophobicContact CB-CG2 3.77Å; I1288-T1402 WeakPolarHBondContact O-CG2 3.39Å; V1318-T1402 WeakPolarHBondContact CA-O 3.39Å; D1319-T1402 PolarHBondContact N-O 3.34Å; D1319-T1402 PolarHBondContact O-N 2.75Å; D1319-T1402 PolarHBondContact O-OG1 2.71Å; K1400-T1402 HydrophobicContact CD-CG2 4.49Å; K1400-T1402 HydrophobicContact CG-CG2 4.37Å |
| 1403 | M | 71.6 | Confident | 63.6 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134 | -179.2 | -177 | 165.3 | 69.4 | 0 | 0 | 111.9 | A1305 R1317 V1318 F1367 I1407 R1410 I1412 | A1305-M1403 HydrophobicContact CB-CE 3.99Å; A1305-M1403 HydrophobicContact CB-SD 3.75Å; R1317-M1403 WeakPolarHBondContact O-CA 3.4Å; V1318-M1403 HydrophobicContact CG2-CB 4.12Å; V1318-M1403 HydrophobicContact CG2-CG 3.82Å; V1318-M1403 HydrophobicContact CG2-SD 3.94Å; F1367-M1403 HydrophobicContact CE2-SD 4.08Å; F1367-M1403 HydrophobicContact CZ-SD 4.12Å; M1403-I1407 HydrophobicContact CE-CD1 4.09Å; M1403-I1407 HydrophobicContact CG-CD1 3.46Å; M1403-I1407 VanDerWaalsContact CG-CD1 3.46Å; M1403-I1407 HydrophobicContact SD-CD1 3.71Å; M1403-R1410 HydrophobicContact CE-CB 3.58Å; M1403-R1410 PolarHBondContact O-NH1 2.78Å; M1403-I1412 HydrophobicContact CB-CD1 3.77Å; M1403-I1412 HydrophobicContact CB-CG1 4.29Å |
| 1404 | S | 72.3 | Confident | 63.1 | Low | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 173.6 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | R1317 | R1317-S1404 PolarHBondContact N-O 3.42Å; R1317-S1404 PolarHBondContact O-N 3.15Å |
| 1405 | G | 75.6 | Confident | 62.7 | Low | 40 Ų | 40 | 52.3 Ų | 52.3 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -161.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1315 I1407 | L1315-G1405 CarbonylContact O-C 3.57Å; L1315-G1405 VanDerWaalsContact O-CA 3.27Å; L1315-G1405 WeakPolarHBondContact O-CA 3.4Å; G1405-I1407 PolarHBondContact O-N 3.23Å |
| 1406 | D | 76.4 | Confident | 62 | Low | 31 Ų | 31 | 55.8 Ų | 55.8 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -82 | 62.2 | -171.1 | -73.2 | -48.4 | 0 | 0 | 0 | 113.8 | K1310 K1314 L1315 | K1310-D1406 HydrophobicContact CB-CB 4.36Å; K1310-D1406 HydrophobicContact CD-CB 4Å; K1310-D1406 HydrophobicContact CG-CB 4.37Å; K1310-D1406 PolarHBondContact N-O 2.96Å; K1310-D1406 IonicContact NZ-OD1 3.54Å; K1310-D1406 PolarHBondContact NZ-OD1 3.4Å; K1314-D1406 PolarHBondContact N-OD2 3.4Å; L1315-D1406 PolarHBondContact O-N 3.15Å |
| 1407 | I | 70.1 | Confident | 60.9 | Low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.2 | -175.4 | -54.9 | 159.4 | 0 | 0 | 0 | 109.6 | K1308 I1316 F1367 M1403 G1405 G1409 R1410 | K1308-I1407 CarbonylContact O-C 3.6Å; K1308-I1407 VanDerWaalsContact O-CA 3.29Å; K1308-I1407 WeakPolarHBondContact O-CA 3.33Å; K1308-I1407 WeakPolarHBondContact O-CG2 3.22Å; I1316-I1407 HydrophobicContact CD1-CG1 4.35Å; I1316-I1407 HydrophobicContact CG1-CD1 4.25Å; I1316-I1407 HydrophobicContact CG1-CG1 3.92Å; I1316-I1407 HydrophobicContact CG2-CD1 4.19Å; F1367-I1407 HydrophobicContact CE1-CG1 4.26Å; F1367-I1407 HydrophobicContact CE1-CG2 4.3Å; F1367-I1407 HydrophobicContact CZ-CD1 4.03Å; F1367-I1407 HydrophobicContact CZ-CG1 4.06Å; F1367-I1407 HydrophobicContact CZ-CG2 4.34Å; M1403-I1407 HydrophobicContact CE-CD1 4.09Å; M1403-I1407 HydrophobicContact CG-CD1 3.46Å; M1403-I1407 VanDerWaalsContact CG-CD1 3.46Å; M1403-I1407 HydrophobicContact SD-CD1 3.71Å; G1405-I1407 PolarHBondContact O-N 3.23Å; I1407-G1409 VanDerWaalsContact CG2-O 3.31Å; I1407-G1409 WeakPolarHBondContact CG2-O 3.4Å; I1407-R1410 HydrophobicContact CG2-CB 4.16Å |
| 1408 | Q | 64.3 | Low | 59.4 | Low | 116 Ų | 116 | 52.9 Ų | 52.9 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108 | 176.3 | -170.1 | -174.6 | 52.1 | 0 | 0 | 109.1 | K1308 K1310 | K1308-Q1408 WeakPolarHBondContact CB-O 3.41Å; K1308-Q1408 PolarHBondContact N-O 2.91Å; K1308-Q1408 PolarHBondContact O-N 3.02Å; K1310-Q1408 HydrophobicContact CG-CB 4.28Å |
| 1409 | G | 51 | Low | 57.7 | Low | 57 Ų | 57 | 60.7 Ų | 60.7 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 73.7 | 127.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1307 K1308 I1407 | G1307-G1409 WeakPolarHBondContact CA-O 3.22Å; K1308-G1409 PolarHBondContact N-O 3.27Å; I1407-G1409 VanDerWaalsContact CG2-O 3.31Å; I1407-G1409 WeakPolarHBondContact CG2-O 3.4Å |
| 1410 | R | 61.4 | Low | 56.2 | Low | 64 Ų | 64 | 63.2 Ų | 63.2 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 139.9 | -177.1 | 47.5 | 168.8 | -176.7 | -170.7 | -4.5 | 112.1 | L1285 L1286 I1288 V1306 M1403 I1407 | L1285-R1410 PolarHBondContact O-NH1 3.01Å; L1285-R1410 VanDerWaalsContact O-NH1 3.11Å; L1285-R1410 PolarHBondContact O-NH2 3.42Å; L1286-R1410 PolarHBondContact O-NH2 2.79Å; I1288-R1410 HydrophobicContact CD1-CG 3.75Å; V1306-R1410 CarbonylContact O-C 3.59Å; V1306-R1410 VanDerWaalsContact O-CA 3.26Å; V1306-R1410 WeakPolarHBondContact O-CA 3.41Å; M1403-R1410 HydrophobicContact CE-CB 3.58Å; M1403-R1410 PolarHBondContact O-NH1 2.78Å; I1407-R1410 HydrophobicContact CG2-CB 4.16Å |
| 1411 | S | 61.4 | Low | 54.4 | Low | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 155.5 | 166.8 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | A1305 V1306 | A1305-S1411 WeakPolarHBondContact CA-O 3.45Å; V1306-S1411 PolarHBondContact N-O 3.08Å; V1306-S1411 PolarHBondContact O-N 3.24Å |
| 1412 | I | 61.8 | Low | 52.2 | Low | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 130.9 | 174.1 | -53 | 174.9 | 0 | 0 | 0 | 107.2 | V1290 V1303 T1304 A1305 A1401 M1403 | V1290-I1412 HydrophobicContact CG2-CB 3.93Å; V1290-I1412 HydrophobicContact CG2-CG2 4.13Å; V1303-I1412 HydrophobicContact CG1-CG2 4.11Å; T1304-I1412 CarbonylContact O-C 3.59Å; T1304-I1412 WeakPolarHBondContact O-CA 3.47Å; A1305-I1412 HydrophobicContact CB-CG1 4.25Å; A1401-I1412 HydrophobicContact CB-CG2 4.18Å; M1403-I1412 HydrophobicContact CB-CD1 3.77Å; M1403-I1412 HydrophobicContact CB-CG1 4.29Å |
| 1413 | T | 61.4 | Low | 50.2 | Low | 59 Ų | 59 | 80.2 Ų | 80.2 | 36% | 0.362 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.3 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | V1303 T1304 | V1303-T1413 WeakPolarHBondContact CA-O 3.48Å; T1304-T1413 PolarHBondContact N-O 3.32Å; T1304-T1413 PolarHBondContact O-N 3.41Å; T1304-T1413 PolarHBondContact O-OG1 2.9Å |
| 1414 | I | 54.7 | Low | 47.8 | Very low | 39 Ų | 39 | 88.8 Ų | 88.8 | 20% | 0.2 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.2 | 173.2 | -49.6 | -175.2 | 0 | 0 | 0 | 107.2 | V1290 K1301 T1302 V1303 | V1290-I1414 HydrophobicContact CG1-CD1 4.05Å; V1290-I1414 HydrophobicContact CG1-CG1 4.15Å; K1301-I1414 HydrophobicContact CD-CG2 4.35Å; T1302-I1414 CarbonylContact O-C 3.56Å; T1302-I1414 WeakPolarHBondContact O-CA 3.41Å; V1303-I1414 HydrophobicContact CG2-CD1 4.48Å; V1303-I1414 HydrophobicContact CG2-CG1 4.2Å; V1303-I1414 HydrophobicContact CG2-CG2 4.39Å |
| 1415 | E | 54.2 | Low | 45.3 | Very low | 96 Ų | 96 | 95.1 Ų | 95.1 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.9 | -173.2 | -62.5 | -178 | 171.2 | 0 | 0 | 111 | K1301 T1302 | K1301-E1415 WeakPolarHBondContact CA-O 3.48Å; T1302-E1415 PolarHBondContact N-O 2.8Å; T1302-E1415 PolarHBondContact O-N 3.06Å |
| 1416 | D | 45.2 | Very low | 42.7 | Very low | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.2 | 172.1 | -73.6 | -28.3 | 0 | 0 | 0 | 109.4 | A1299 K1301 | A1299-D1416 HydrophobicContact CB-CB 3.87Å; K1301-D1416 WeakPolarHBondContact CE-OD1 3.13Å; K1301-D1416 IonicContact NZ-OD1 2.67Å |
| 1417 | L | 32.5 | Very low | 40 | Very low | 52 Ų | 52 | 102.5 Ų | 102.5 | 27% | 0.272 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.5 | 173.8 | -71.9 | -176.3 | 0 | 0 | 0 | 112 | T1300 T1302 | T1300-L1417 WeakPolarHBondContact CB-O 3.39Å; T1300-L1417 PolarHBondContact N-O 3.16Å; T1300-L1417 PolarHBondContact O-N 3.12Å; T1302-L1417 VanDerWaalsContact OG1-CD1 3.22Å; T1302-L1417 WeakPolarHBondContact OG1-CD1 3.46Å |
| 1418 | E | 27.5 | Very low | 37.5 | Very low | 149 Ų | 149 | 111.2 Ų | 111.2 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | trans | -84.6 | 119 | 155.9 | -63.7 | 171.2 | 128.1 | 0 | 0 | 107.4 | K1761 | E1418-K1761 IonicContact OE2-NZ 3.52Å; E1418-K1761 PolarHBondContact OE2-NZ 3.28Å | ||
| 1419 | W | 25 | Very low | 35.3 | Very low | 179 Ų | 179 | 113.6 Ų | 113.6 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | trans | -107 | 151.1 | 178.4 | -132.1 | 85.4 | 0 | 0 | 0 | 112.2 | S1421 | W1419-S1421 PolarHBondContact O-N 3.32Š| ||
| 1420 | M | 21.8 | Very low | 33.9 | Very low | 156 Ų | 156 | 119.4 Ų | 119.4 | 77% | 0.768 | 59% | 0.587 | S | S | * | * | trans | -72.6 | 128.2 | -171 | -59.7 | -173.6 | -65.4 | 0 | 0 | 111.6 | Q1422 | M1420-Q1422 PolarHBondContact O-N 3.18Š| ||
| 1421 | S | 22.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -85.1 | 104 | -176.6 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | W1419 | W1419-S1421 PolarHBondContact O-N 3.32Š| ||
| 1422 | Q | 20.3 | Very low | 29.8 | Very low | 189 Ų | 189 | 121.5 Ų | 121.5 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | trans | -135.8 | 89.5 | 156.4 | -79 | -170.7 | -37 | 0 | 0 | 109.1 | M1420 | M1420-Q1422 PolarHBondContact O-N 3.18Š| ||
| 1423 | T | 22.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -162.3 | 102 | 163.4 | -1.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1424 | E | 21.5 | Very low | 25.9 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | 52.2 | 129.3 | 147.8 | -63.2 | 174.3 | 174 | 0 | 0 | 121.5 | T1426 | E1424-T1426 PolarHBondContact O-N 2.85Š| ||
| 1425 | E | 21 | Very low | 24.2 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | trans | -77.7 | 109.7 | 170.1 | -57.6 | 177.4 | 122.4 | 0 | 0 | 110.5 | I1427 | E1425-I1427 HydrophobicContact CB-CG1 4.08Å; E1425-I1427 PolarHBondContact O-N 3.03Å | ||
| 1426 | T | 20.3 | Very low | 22.6 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | -90.5 | 81.9 | 164.5 | -34.9 | 0 | 0 | 0 | 0 | 110.1 | E1424 W1428 | E1424-T1426 PolarHBondContact O-N 2.85Å; T1426-W1428 PolarHBondContact O-N 2.9Å | ||
| 1427 | I | 19.1 | Very low | 21.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 59% | 0.585 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 93.9 | 178.8 | -57.8 | 179.9 | 0 | 0 | 0 | 110 | E1425 H1429 | E1425-I1427 HydrophobicContact CB-CG1 4.08Å; E1425-I1427 PolarHBondContact O-N 3.03Å; I1427-H1429 VanDerWaalsContact CG2-CE1 3.46Å; I1427-H1429 WeakPolarHBondContact CG2-CE1 3.24Å; I1427-H1429 VanDerWaalsContact CG2-ND1 3.33Å; I1427-H1429 WeakPolarHBondContact CG2-ND1 3.28Å; I1427-H1429 PolarHBondContact O-N 2.78Å | ||
| 1428 | W | 18.8 | Very low | 20.7 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | -81.3 | 90.2 | 167.1 | -77.3 | 94.2 | 0 | 0 | 0 | 110.5 | T1426 F1430 | T1426-W1428 PolarHBondContact O-N 2.9Å; W1428-F1430 AromaticContact CE3-CE2 3.96Å; W1428-F1430 HydrophobicContact CE3-CE2 3.96Å; W1428-F1430 HydrophobicContact CE3-CZ 4.43Å; W1428-F1430 PolarHBondContact O-N 2.84Å | ||
| 1429 | H | 17.4 | Very low | 20.4 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -70.7 | 113.6 | 163.2 | -79.6 | -0.7 | 0 | 0 | 0 | 110.3 | I1427 | I1427-H1429 VanDerWaalsContact CG2-CE1 3.46Å; I1427-H1429 WeakPolarHBondContact CG2-CE1 3.24Å; I1427-H1429 VanDerWaalsContact CG2-ND1 3.33Å; I1427-H1429 WeakPolarHBondContact CG2-ND1 3.28Å; I1427-H1429 PolarHBondContact O-N 2.78Å | ||
| 1430 | F | 20.5 | Very low | 20.2 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | -104.2 | 108.5 | 157.4 | -84.4 | -83.9 | 0 | 0 | 0 | 108.7 | W1428 G1432 | W1428-F1430 AromaticContact CE3-CE2 3.96Å; W1428-F1430 HydrophobicContact CE3-CE2 3.96Å; W1428-F1430 HydrophobicContact CE3-CZ 4.43Å; W1428-F1430 PolarHBondContact O-N 2.84Å; F1430-G1432 PolarHBondContact O-N 2.88Å | ||
| 1431 | A | 18.5 | Very low | 20.2 | Very low | 90 Ų | 90 | 147.6 Ų | 147.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 104.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1433 | A1431-V1433 HydrophobicContact CB-CG2 4.41Å; A1431-V1433 PolarHBondContact O-N 2.87Å | ||
| 1432 | G | 19.9 | Very low | 20.1 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 99.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1430 D1434 | F1430-G1432 PolarHBondContact O-N 2.88Å; G1432-D1434 PolarHBondContact O-N 3.13Å | ||
| 1433 | V | 19.7 | Very low | 20.1 | Very low | 117 Ų | 117 | 147 Ų | 147 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -88 | 92 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | A1431 S1435 | A1431-V1433 HydrophobicContact CB-CG2 4.41Å; A1431-V1433 PolarHBondContact O-N 2.87Å; V1433-S1435 PolarHBondContact O-N 3.07Å | ||
| 1434 | D | 21.4 | Very low | 19.9 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -92 | 79.5 | 164.5 | -101.5 | -46.5 | 0 | 0 | 0 | 110.3 | G1432 K1436 | G1432-D1434 PolarHBondContact O-N 3.13Å; D1434-K1436 PolarHBondContact O-N 2.85Å | ||
| 1435 | S | 18.6 | Very low | 19.8 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -84.6 | 82.1 | 173.5 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | V1433 | V1433-S1435 PolarHBondContact O-N 3.07Š| ||
| 1436 | K | 19.7 | Very low | 19.8 | Very low | 197 Ų | 197 | 146 Ų | 146 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -141.8 | 98.1 | 167.1 | -112.7 | 167.9 | -170.9 | 172.8 | 0 | 114.5 | D1434 Q1438 | D1434-K1436 PolarHBondContact O-N 2.85Å; K1436-Q1438 PolarHBondContact O-N 2.86Å | ||
| 1437 | V | 20.2 | Very low | 19.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -4.8 | 112.3 | 154.2 | -173.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1438 | Q | 18.8 | Very low | 20 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -119.4 | 126.5 | 135.3 | -85.1 | -168.5 | -35.9 | 0 | 0 | 108.5 | K1436 | K1436-Q1438 PolarHBondContact O-N 2.86Š| ||
| 1439 | S | 21.4 | Very low | 20.1 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | -111.4 | 123.5 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1440 | E | 20.5 | Very low | 20.4 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 97% | 0.972 | 77% | 0.767 | S | S | * | * | trans | -88.8 | 109.4 | 158.4 | -72.3 | -166.6 | 130.5 | 0 | 0 | 108.5 | ||||
| 1441 | Q | 20.4 | Very low | 20.5 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -137.9 | 116.9 | 164.2 | -168.7 | 176.5 | -4.3 | 0 | 0 | 110.7 | ||||
| 1442 | E | 21 | Very low | 20.6 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | trans | 46.8 | 116.2 | 151.9 | -60.2 | -175.8 | 93.7 | 0 | 0 | 122.1 | ||||
| 1443 | K | 20.1 | Very low | 20.7 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | 56.3 | 106.4 | 128.9 | -57.9 | 167 | -172.7 | 150.4 | 0 | 118.5 | |||||
| 1444 | T | 19.3 | Very low | 20.8 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -144.8 | 165.2 | 130.7 | -28 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1445 | E | 19.5 | Very low | 20.8 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -57.2 | 144.5 | -171.3 | -71.2 | 144.2 | 140.8 | 0 | 0 | 114.1 | ||||
| 1446 | Q | 20.1 | Very low | 21.1 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | 36.9 | 109.7 | 88.6 | -74.6 | -172.5 | -2.7 | 0 | 0 | 114.1 | |||||
| 1447 | N | 21.8 | Very low | 21.2 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 168.9 | 160.6 | 109.4 | -94.8 | -63.4 | 0 | 0 | 0 | 113.2 | |||||
| 1448 | L | 22.5 | Very low | 21.1 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 65.5 | 157.2 | 162.8 | -60.6 | 143.7 | 0 | 0 | 0 | 117.4 | ||||
| 1449 | S | 21.1 | Very low | 21.2 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 50% | 0.503 | 76% | 0.756 | S | S | . | * | cis | -172.4 | 151.7 | -33.7 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1450 | K | 23.3 | Very low | 21.3 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | trans | 67.4 | 164.1 | 170.1 | -48.2 | 164.2 | -175.9 | -178.1 | 0 | 112.3 | ||||
| 1451 | E | 22 | Very low | 21.4 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | cis | -148.1 | 160.4 | 7.5 | -148.1 | 136.5 | -132.6 | 0 | 0 | 110.4 | ||||
| 1452 | Q | 22.3 | Very low | 21.4 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | 50 | 137.3 | 154.5 | -78.7 | 163.5 | -37.7 | 0 | 0 | 123.2 | ||||
| 1453 | E | 20.5 | Very low | 21.4 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 43.2 | 97 | 136.8 | -62.5 | 173.2 | -163.1 | 0 | 0 | 117.3 | ||||
| 1454 | S | 22.4 | Very low | 21.5 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | 63.3 | 57.1 | 36.2 | 103.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1455 | S | 22.1 | Very low | 21.5 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -135.8 | 153.2 | 154.6 | -81.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1456 | P | 24.2 | Very low | 21.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -105.6 | -172.5 | -155.1 | 14.2 | 7.7 | 0 | 0 | 0 | 114 | ||||
| 1457 | K | 20.8 | Very low | 21.6 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -24.2 | 156 | 164.1 | -63.6 | 174 | 175.7 | 175.2 | 0 | 116.5 | ||
| 1458 | M | 19.5 | Very low | 21.6 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | 93.7 | 145.1 | 169.8 | -51.3 | -164.6 | -147.2 | 0 | 0 | 114.1 | ||||
| 1459 | T | 20.3 | Very low | 21.6 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 60.2 | 122 | -162.4 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | H1461 | T1459-H1461 WeakPolarHBondContact CB-NE2 3.38Š| ||
| 1460 | G | 24.1 | Very low | 21.5 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | 175.4 | -157.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1461 | H | 21.8 | Very low | 21.5 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -148.1 | 155.8 | -7.6 | -94.3 | -75.4 | 0 | 0 | 0 | 108.4 | T1459 | T1459-H1461 WeakPolarHBondContact CB-NE2 3.38Š| ||
| 1462 | Q | 21.8 | Very low | 21.4 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 150.5 | 155.8 | -65.6 | 179.2 | -63.6 | 0 | 0 | 109.3 | ||||
| 1463 | H | 19.3 | Very low | 21.4 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | 82 | 118.6 | 162.8 | -64.3 | -66 | 0 | 0 | 0 | 120.8 | ||||
| 1464 | Y | 22.4 | Very low | 21.6 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 94.9 | 114.2 | 136.1 | -88.2 | -125.2 | 0 | 0 | 0 | 121.6 | ||||
| 1465 | V | 19.3 | Very low | 21.8 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 72.5 | 138.8 | 127.5 | 167.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1466 | P | 23.6 | Very low | 22.1 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -126.2 | -163.9 | -26.6 | 35 | -14.8 | 0 | 0 | 0 | 112.1 | ||||
| 1467 | A | 19 | Very low | 22.6 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 132.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1468 | H | 20.6 | Very low | 23.8 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 89% | 0.889 | 73% | 0.726 | S | S | * | * | trans | -170.2 | 104.7 | 144.7 | -97.1 | -59.6 | 0 | 0 | 0 | 111.7 | ||||
| 1469 | Q | 23.2 | Very low | 25.1 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | 170.3 | 116.3 | 130.2 | -95.1 | -171.7 | 28.2 | 0 | 0 | 110.1 | ||||
| 1470 | Q | 19.7 | Very low | 26.7 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 131.5 | 165.6 | -65.9 | 167 | -46.2 | 0 | 0 | 108.7 | ||
| 1471 | K | 21.8 | Very low | 28.1 | Very low | 193 Ų | 193 | 126.1 Ų | 126.1 | 84% | 0.839 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 128.1 | 152.3 | -88.5 | -173.8 | 174 | 179.5 | 0 | 108.5 | ||
| 1472 | K | 20.8 | Very low | 29.9 | Very low | 202 Ų | 202 | 125.7 Ų | 125.7 | 88% | 0.878 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -71 | 129.5 | -175.2 | -58.4 | 175.9 | -179.1 | -179.4 | 0 | 109.8 | ||
| 1473 | F | 21.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 119 Ų | 119 | 86% | 0.864 | 61% | 0.608 | S | S | * | * | trans | -104.4 | 138.2 | 146.9 | -83.5 | -85.4 | 0 | 0 | 0 | 107.5 | L1475 | F1473-L1475 PolarHBondContact O-N 2.94Š| ||
| 1474 | G | 24.6 | Very low | 34.9 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | trans | -66.1 | 118.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1476 | G1474-L1476 PolarHBondContact O-N 2.95Š| ||
| 1475 | L | 27.4 | Very low | 37.4 | Very low | 118 Ų | 118 | 104.6 Ų | 104.6 | 62% | 0.618 | 55% | 0.549 | S | S | * | . | trans | -80.8 | 116.4 | 177.6 | -147.5 | 82.5 | 0 | 0 | 0 | 108.9 | F1473 V1477 | F1473-L1475 PolarHBondContact O-N 2.94Å; L1475-V1477 PolarHBondContact O-N 2.81Å | ||
| 1476 | L | 27.3 | Very low | 40 | Very low | 113 Ų | 113 | 102 Ų | 102 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | trans | -77.1 | 86.4 | -176 | -166.9 | 129.7 | 0 | 0 | 0 | 110.5 | G1474 G1478 N1549 | G1474-L1476 PolarHBondContact O-N 2.95Å; L1476-G1478 PolarHBondContact O-N 2.76Å; L1476-G1478 VanDerWaalsContact O-N 3.14Å; L1476-N1549 HydrophobicContact CD1-CB 4.15Å | ||
| 1477 | V | 36.5 | Very low | 42.3 | Very low | 40 Ų | 40 | 101.3 Ų | 101.3 | 24% | 0.242 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 95.4 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | L1475 I1479 V1548 | L1475-V1477 PolarHBondContact O-N 2.81Å; V1477-I1479 HydrophobicContact CG1-CD1 4.07Å; V1477-I1479 HydrophobicContact CG1-CG1 3.79Å; V1477-V1548 PolarHBondContact O-N 3Å |
| 1478 | G | 44.3 | Very low | 45.1 | Very low | 23 Ų | 23 | 102.7 Ų | 102.7 | 24% | 0.237 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1476 L1546 | L1476-G1478 PolarHBondContact O-N 2.76Å; L1476-G1478 VanDerWaalsContact O-N 3.14Å; G1478-L1546 CarbonylContact C-O 3.48Å; G1478-L1546 WeakPolarHBondContact CA-O 3.31Å |
| 1479 | I | 48.2 | Very low | 47.8 | Very low | 13 Ų | 13 | 94 Ų | 94 | 7% | 0.067 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102.1 | -179.7 | -47.3 | -176.4 | 0 | 0 | 0 | 109.2 | V1477 N1545 L1546 F1576 M1589 | V1477-I1479 HydrophobicContact CG1-CD1 4.07Å; V1477-I1479 HydrophobicContact CG1-CG1 3.79Å; I1479-N1545 CarbonylContact O-C 3.58Å; I1479-N1545 VanDerWaalsContact O-CA 3.29Å; I1479-N1545 WeakPolarHBondContact O-CA 3.05Å; I1479-L1546 HydrophobicContact CB-CB 4.29Å; I1479-L1546 HydrophobicContact CD1-CD2 3.98Å; I1479-L1546 HydrophobicContact CG1-CD2 4.43Å; I1479-L1546 PolarHBondContact N-O 3.01Å; I1479-L1546 PolarHBondContact O-N 3.05Å; I1479-F1576 HydrophobicContact CD1-CD1 4.13Å; I1479-F1576 HydrophobicContact CD1-CE1 3.12Å; I1479-F1576 HydrophobicContact CD1-CE2 4.37Å; I1479-F1576 HydrophobicContact CD1-CZ 3.28Å; I1479-M1589 HydrophobicContact CG2-CE 3.98Å; I1479-M1589 HydrophobicContact CG2-CG 4.42Å |
| 1480 | V | 53.1 | Low | 50.6 | Low | 85 Ų | 85 | 93.7 Ų | 93.7 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.3 | 168.8 | 174.3 | 0 | 0 | 0 | 0 | 108 | L1543 N1545 | V1480-L1543 HydrophobicContact CG1-CD1 4.13Å; V1480-N1545 WeakPolarHBondContact CG1-OD1 3.34Å |
| 1481 | A | 53.5 | Low | 53.5 | Low | 16 Ų | 16 | 87.4 Ų | 87.4 | 13% | 0.132 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1483 L1543 F1544 | A1481-F1483 HydrophobicContact CB-CD2 4.49Å; A1481-F1483 HydrophobicContact CB-CE1 4.33Å; A1481-F1483 HydrophobicContact CB-CE2 3.73Å; A1481-F1483 HydrophobicContact CB-CZ 3.64Å; A1481-L1543 WeakPolarHBondContact O-CD1 3.34Å; A1481-F1544 PolarHBondContact N-O 2.94Å; A1481-F1544 PolarHBondContact O-N 2.94Å |
| 1482 | R | 60.1 | Low | 56.3 | Low | 154 Ų | 154 | 78.2 Ų | 78.2 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.7 | 179.8 | 177.5 | -178.8 | -81.5 | -122.4 | 5.7 | 107.8 | E1541 L1543 S1585 | R1482-E1541 WeakPolarHBondContact CD-OE1 3.31Å; R1482-E1541 HydrophobicContact CG-CG 4.27Å; R1482-E1541 WeakPolarHBondContact CG-OE1 3.17Å; R1482-E1541 IonicContact CZ-OE1 3.86Å; R1482-E1541 IonicContact NE-OE1 3.97Å; R1482-E1541 IonicContact NH1-OE1 2.98Å; R1482-E1541 PolarHBondContact NH1-OE1 2.81Å; R1482-L1543 HydrophobicContact CB-CD1 4.07Å; R1482-S1585 VanDerWaalsContact O-CB 3.22Å; R1482-S1585 WeakPolarHBondContact O-CB 3.17Å |
| 1483 | F | 71.5 | Confident | 59 | Low | 24 Ų | 24 | 69.5 Ų | 69.5 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.5 | -173.2 | -65.1 | -60.6 | 0 | 0 | 0 | 110.8 | A1481 F1492 E1541 F1542 F1544 V1578 V1581 | A1481-F1483 HydrophobicContact CB-CD2 4.49Å; A1481-F1483 HydrophobicContact CB-CE1 4.33Å; A1481-F1483 HydrophobicContact CB-CE2 3.73Å; A1481-F1483 HydrophobicContact CB-CZ 3.64Å; F1483-F1492 HydrophobicContact CD2-CE2 4.08Å; F1483-F1492 AromaticContact CD2-CZ 3.92Å; F1483-F1492 HydrophobicContact CD2-CZ 3.92Å; F1483-F1492 HydrophobicContact CE2-CE2 4.4Å; F1483-F1492 AromaticContact CE2-CZ 3.97Å; F1483-F1492 HydrophobicContact CE2-CZ 3.97Å; F1483-F1492 HydrophobicContact CG-CE2 4.18Å; F1483-F1492 HydrophobicContact CG-CZ 4.48Å; F1483-E1541 CarbonylContact O-C 3.54Å; F1483-E1541 VanDerWaalsContact O-CA 3.31Å; F1483-E1541 WeakPolarHBondContact O-CA 3.38Å; F1483-F1542 HydrophobicContact CB-CD1 4.35Å; F1483-F1542 HydrophobicContact CB-CE1 3.88Å; F1483-F1542 HydrophobicContact CB-CE2 4.4Å; F1483-F1542 HydrophobicContact CB-CZ 3.92Å; F1483-F1542 AromaticContact CD2-CE2 4Å; F1483-F1542 HydrophobicContact CD2-CE2 4Å; F1483-F1542 HydrophobicContact CD2-CZ 4.03Å; F1483-F1542 HydrophobicContact CG-CZ 4.39Å; F1483-F1542 PolarHBondContact N-O 2.83Å; F1483-F1542 PolarHBondContact O-N 2.82Å; F1483-F1544 HydrophobicContact CD2-CB 3.9Å; F1483-F1544 HydrophobicContact CE2-CB 3.79Å; F1483-F1544 HydrophobicContact CE2-CD1 4.37Å; F1483-F1544 HydrophobicContact CE2-CG 4.15Å; F1483-V1578 HydrophobicContact CD1-CG1 4.28Å; F1483-V1578 HydrophobicContact CE1-CB 4.34Å; F1483-V1578 HydrophobicContact CE1-CG1 3.94Å; F1483-V1578 HydrophobicContact CE1-CG2 3.9Å; F1483-V1578 HydrophobicContact CZ-CG1 4.31Å; F1483-V1578 HydrophobicContact CZ-CG2 3.99Å; F1483-V1581 HydrophobicContact CB-CG1 4.03Å; F1483-V1581 HydrophobicContact CD1-CG1 4.09Å; F1483-V1581 HydrophobicContact CG-CG1 4.32Å |
| 1484 | I | 73.4 | Confident | 61.6 | Low | 52 Ų | 52 | 60.8 Ų | 60.8 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.1 | 168 | -57 | 174.1 | 0 | 0 | 0 | 106.4 | E1541 V1581 T1582 | I1484-E1541 HydrophobicContact CG1-CB 4.05Å; I1484-E1541 HydrophobicContact CG1-CG 3.87Å; I1484-V1581 CarbonylContact O-C 3.54Å; I1484-V1581 VanDerWaalsContact O-CA 3.23Å; I1484-V1581 WeakPolarHBondContact O-CA 3.19Å; I1484-V1581 VanDerWaalsContact O-CB 3.3Å; I1484-V1581 WeakPolarHBondContact O-CB 3.36Å; I1484-T1582 PolarHBondContact O-N 3.23Å; I1484-T1582 PolarHBondContact O-OG1 2.84Å |
| 1485 | L | 74.8 | Confident | 63.7 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 147.6 | 177.4 | -64.3 | 165 | 0 | 0 | 0 | 109.9 | A1489 F1492 L1510 L1536 K1537 G1539 Q1540 F1542 V1581 T1582 | L1485-A1489 HydrophobicContact CB-CB 4.24Å; L1485-F1492 HydrophobicContact CD2-CB 3.88Å; L1485-F1492 HydrophobicContact CD2-CD2 3.77Å; L1485-F1492 HydrophobicContact CD2-CG 4.22Å; L1485-L1510 HydrophobicContact CD1-CD1 4.22Å; L1485-L1510 HydrophobicContact CD1-CD2 4.18Å; L1485-L1510 HydrophobicContact CD1-CG 4.44Å; L1485-L1536 HydrophobicContact CD1-CB 3.82Å; L1485-L1536 HydrophobicContact CD1-CD1 4.2Å; L1485-L1536 HydrophobicContact CD1-CD2 4.36Å; L1485-L1536 HydrophobicContact CD1-CG 4.34Å; L1485-K1537 WeakPolarHBondContact CD1-O 3.24Å; L1485-G1539 WeakPolarHBondContact O-CA 3.16Å; L1485-G1539 PolarHBondContact O-N 2.94Å; L1485-Q1540 PolarHBondContact N-O 2.86Å; L1485-F1542 HydrophobicContact CD1-CD1 4.37Å; L1485-F1542 HydrophobicContact CD1-CE1 3.95Å; L1485-F1542 HydrophobicContact CD2-CE1 4.13Å; L1485-F1542 HydrophobicContact CG-CE1 3.91Å; L1485-V1581 HydrophobicContact CD2-CG1 4.18Å; L1485-T1582 PolarHBondContact O-OG1 2.92Å |
| 1486 | K | 75.2 | Confident | 65.4 | Low | 65 Ų | 65 | 55.1 Ų | 55.1 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | trans | -61.9 | 152.8 | 174 | -56.5 | 169.4 | -174.9 | 160.6 | 0 | 110.5 | D1488 A1489 G1539 D1580 T1582 | K1486-D1488 WeakPolarHBondContact CB-OD1 3.32Å; K1486-D1488 PolarHBondContact O-N 2.94Å; K1486-A1489 HydrophobicContact CB-CB 4.17Å; K1486-A1489 VanDerWaalsContact O-CB 3.28Å; K1486-A1489 WeakPolarHBondContact O-CB 3.47Å; K1486-A1489 PolarHBondContact O-N 2.88Å; K1486-A1489 VanDerWaalsContact O-N 3.14Å; K1486-G1539 PolarHBondContact O-N 3.2Å; K1486-G1539 VanDerWaalsContact O-N 3.08Å; K1486-D1580 PolarHBondContact N-O 3.46Å; K1486-D1580 IonicContact NZ-OD1 2.78Å; K1486-D1580 PolarHBondContact NZ-OD1 3.3Å; K1486-T1582 HydrophobicContact CG-CG2 4.27Å | ||
| 1487 | P | 72.6 | Confident | 67.1 | Low | 107 Ų | 107 | 51.8 Ų | 51.8 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.1 | 174.2 | -24.3 | 35.3 | 0 | 0 | 0 | 114.4 | A1538 | P1487-A1538 VanDerWaalsContact O-CB 3.29Å; P1487-A1538 WeakPolarHBondContact O-CB 3.32Å |
| 1488 | D | 75.7 | Confident | 68.1 | Low | 115 Ų | 115 | 50.2 Ų | 50.2 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3 | 178.3 | 68.6 | -39.1 | 0 | 0 | 0 | 113.8 | K1486 K1490 | K1486-D1488 WeakPolarHBondContact CB-OD1 3.32Å; K1486-D1488 PolarHBondContact O-N 2.94Å; D1488-K1490 PolarHBondContact O-N 2.82Å |
| 1489 | A | 77.9 | Confident | 68.5 | Low | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | trans | -60.1 | 129.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1485 K1486 L1510 D1580 | L1485-A1489 HydrophobicContact CB-CB 4.24Å; K1486-A1489 HydrophobicContact CB-CB 4.17Å; K1486-A1489 VanDerWaalsContact O-CB 3.28Å; K1486-A1489 WeakPolarHBondContact O-CB 3.47Å; K1486-A1489 PolarHBondContact O-N 2.88Å; K1486-A1489 VanDerWaalsContact O-N 3.14Å; A1489-L1510 HydrophobicContact CB-CD1 4.47Å; A1489-L1510 HydrophobicContact CB-CD2 4.47Å; A1489-L1510 WeakPolarHBondContact O-CD2 3.46Å; A1489-D1580 HydrophobicContact CB-CB 4.18Å | ||
| 1490 | K | 82.2 | Confident | 68.9 | Low | 181 Ų | 181 | 57.5 Ų | 57.5 | 79% | 0.787 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -102.1 | -11.8 | 175.3 | -60.2 | -174.3 | -178.9 | -179 | 0 | 113.2 | D1488 L1510 | D1488-K1490 PolarHBondContact O-N 2.82Å; K1490-L1510 PolarHBondContact O-N 2.74Å; K1490-L1510 VanDerWaalsContact O-N 3.1Å |
| 1491 | K | 80.2 | Confident | 69 | Low | 60 Ų | 60 | 58.7 Ų | 58.7 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.5 | -176.3 | 60.4 | -178.9 | -172.2 | 168.2 | 0 | 109.1 | Q1493 Y1507 A1508 L1510 D1580 | K1491-Q1493 HydrophobicContact CD-CG 4.14Å; K1491-Q1493 VanDerWaalsContact NZ-NE2 3.14Å; K1491-Y1507 HydrophobicContact CD-CE2 4.17Å; K1491-A1508 CarbonylContact C-O 3.55Å; K1491-A1508 WeakPolarHBondContact CA-O 3.37Å; K1491-L1510 VanDerWaalsContact CA-CD1 3.43Å; K1491-D1580 WeakPolarHBondContact CE-OD2 3.47Å; K1491-D1580 WeakPolarHBondContact CG-OD2 3.33Å; K1491-D1580 IonicContact NZ-OD2 2.64Å; K1491-D1580 VanDerWaalsContact O-CB 3.29Å; K1491-D1580 WeakPolarHBondContact O-CB 3.3Å |
| 1492 | F | 81.6 | Confident | 69.4 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.6 | 159.6 | 171.6 | -108.2 | 0 | 0 | 0 | 107.6 | F1483 L1485 L1494 A1508 L1536 F1542 V1578 V1581 | F1483-F1492 HydrophobicContact CD2-CE2 4.08Å; F1483-F1492 AromaticContact CD2-CZ 3.92Å; F1483-F1492 HydrophobicContact CD2-CZ 3.92Å; F1483-F1492 HydrophobicContact CE2-CE2 4.4Å; F1483-F1492 AromaticContact CE2-CZ 3.97Å; F1483-F1492 HydrophobicContact CE2-CZ 3.97Å; F1483-F1492 HydrophobicContact CG-CE2 4.18Å; F1483-F1492 HydrophobicContact CG-CZ 4.48Å; L1485-F1492 HydrophobicContact CD2-CB 3.88Å; L1485-F1492 HydrophobicContact CD2-CD2 3.77Å; L1485-F1492 HydrophobicContact CD2-CG 4.22Å; F1492-L1494 HydrophobicContact CE1-CB 4.1Å; F1492-L1494 HydrophobicContact CZ-CB 4.16Å; F1492-A1508 HydrophobicContact CB-CB 4.28Å; F1492-A1508 HydrophobicContact CD1-CB 4.33Å; F1492-A1508 PolarHBondContact N-O 3.21Å; F1492-A1508 PolarHBondContact O-N 2.85Å; F1492-L1536 HydrophobicContact CB-CD1 4.04Å; F1492-L1536 HydrophobicContact CG-CD1 4.45Å; F1492-F1542 HydrophobicContact CD1-CZ 4.28Å; F1492-F1542 HydrophobicContact CD2-CZ 4.08Å; F1492-F1542 HydrophobicContact CE1-CZ 4.11Å; F1492-F1542 AromaticContact CE2-CZ 3.89Å; F1492-F1542 HydrophobicContact CE2-CZ 3.89Å; F1492-F1542 HydrophobicContact CG-CZ 4.26Å; F1492-F1542 HydrophobicContact CZ-CE2 4.45Å; F1492-F1542 AromaticContact CZ-CZ 3.91Å; F1492-F1542 HydrophobicContact CZ-CZ 3.91Å; F1492-V1578 HydrophobicContact CD2-CG1 4.29Å; F1492-V1578 HydrophobicContact CE2-CG1 3.48Å; F1492-V1578 VanDerWaalsContact CE2-CG1 3.48Å; F1492-V1578 HydrophobicContact CZ-CG1 4.08Å; F1492-V1581 HydrophobicContact CD2-CG1 4.16Å; F1492-V1581 HydrophobicContact CE2-CG1 4.07Å |
| 1493 | Q | 77.8 | Confident | 69.6 | Low | 19 Ų | 19 | 55.8 Ų | 55.8 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.7 | 169.3 | -60.8 | -167.4 | 16.2 | 0 | 0 | 110.5 | K1491 L1506 Y1507 V1578 D1579 | K1491-Q1493 HydrophobicContact CD-CG 4.14Å; K1491-Q1493 VanDerWaalsContact NZ-NE2 3.14Å; Q1493-L1506 WeakPolarHBondContact CA-O 3.35Å; Q1493-Y1507 HydrophobicContact CG-CD2 3.82Å; Q1493-Y1507 HydrophobicContact CG-CE2 4.41Å; Q1493-Y1507 VanDerWaalsContact NE2-CD2 3.26Å; Q1493-Y1507 VanDerWaalsContact NE2-CE2 3.33Å; Q1493-V1578 WeakPolarHBondContact O-CA 3.4Å; Q1493-D1579 HydrophobicContact CB-CB 4.32Å; Q1493-D1579 PolarHBondContact O-N 3.29Å |
| 1494 | L | 75.5 | Confident | 69.4 | Low | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.4 | 169.5 | 167.1 | 66.3 | 0 | 0 | 0 | 107.2 | F1492 L1496 R1505 L1506 F1544 V1578 | F1492-L1494 HydrophobicContact CE1-CB 4.1Å; F1492-L1494 HydrophobicContact CZ-CB 4.16Å; L1494-L1496 HydrophobicContact CD1-CD1 4.04Å; L1494-L1496 HydrophobicContact CD2-CD1 4.19Å; L1494-L1496 HydrophobicContact CG-CD1 4.09Å; L1494-R1505 WeakPolarHBondContact O-CA 3.45Å; L1494-L1506 HydrophobicContact CB-CB 4.3Å; L1494-L1506 PolarHBondContact N-O 3.13Å; L1494-L1506 PolarHBondContact O-N 2.79Å; L1494-F1544 HydrophobicContact CD2-CE1 3.66Å; L1494-F1544 HydrophobicContact CD2-CE2 4.42Å; L1494-F1544 HydrophobicContact CD2-CZ 3.59Å; L1494-V1578 HydrophobicContact CD1-CG2 3.81Å |
| 1495 | Y | 69 | Low | 69.3 | Low | 66 Ų | 66 | 56.9 Ų | 56.9 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.4 | 176.8 | -171.2 | -82.9 | 0 | 0 | 0 | 110.1 | A1503 R1505 W1525 I1577 | Y1495-A1503 HydrophobicContact CE1-CB 3.98Å; Y1495-A1503 HydrophobicContact CE2-CB 4.31Å; Y1495-A1503 WeakPolarHBondContact OH-CB 3.32Å; Y1495-R1505 HydrophobicContact CD2-CB 4.23Å; Y1495-W1525 HydrophobicContact CD2-CH2 4.33Å; Y1495-W1525 AromaticContact CE2-CH2 3.67Å; Y1495-W1525 HydrophobicContact CE2-CH2 3.67Å; Y1495-W1525 AromaticContact CE2-CZ2 3.72Å; Y1495-W1525 HydrophobicContact CE2-CZ2 3.72Å; Y1495-I1577 HydrophobicContact CD1-CD1 4.45Å; Y1495-I1577 PolarHBondContact N-O 3.25Å; Y1495-I1577 PolarHBondContact O-N 2.87Å; Y1495-I1577 VanDerWaalsContact O-O 3.06Å |
| 1496 | L | 63.4 | Low | 69.6 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 134.6 | -164.7 | -123.4 | 152.4 | 0 | 0 | 0 | 110.5 | L1494 A1503 W1504 A1573 R1575 F1576 | L1494-L1496 HydrophobicContact CD1-CD1 4.04Å; L1494-L1496 HydrophobicContact CD2-CD1 4.19Å; L1494-L1496 HydrophobicContact CG-CD1 4.09Å; L1496-A1503 CarbonylContact O-C 3.53Å; L1496-A1503 VanDerWaalsContact O-CA 3.23Å; L1496-A1503 WeakPolarHBondContact O-CA 3.42Å; L1496-W1504 HydrophobicContact CB-CD2 3.6Å; L1496-W1504 HydrophobicContact CB-CE3 4.1Å; L1496-W1504 HydrophobicContact CB-CG 3.92Å; L1496-W1504 HydrophobicContact CB-CH2 4.49Å; L1496-W1504 HydrophobicContact CB-CZ2 4.02Å; L1496-W1504 HydrophobicContact CD1-CD2 4.28Å; L1496-W1504 HydrophobicContact CD1-CE3 4.04Å; L1496-W1504 HydrophobicContact CD1-CH2 3.53Å; L1496-W1504 HydrophobicContact CD1-CZ2 3.76Å; L1496-W1504 HydrophobicContact CD1-CZ3 3.69Å; L1496-W1504 HydrophobicContact CD2-CD2 4.47Å; L1496-W1504 HydrophobicContact CD2-CH2 3.95Å; L1496-W1504 HydrophobicContact CD2-CZ2 3.29Å; L1496-W1504 HydrophobicContact CG-CD2 4.32Å; L1496-W1504 HydrophobicContact CG-CH2 4.17Å; L1496-W1504 HydrophobicContact CG-CZ2 3.85Å; L1496-W1504 PolarHBondContact N-O 3.23Å; L1496-W1504 VanDerWaalsContact O-CD1 3.26Å; L1496-W1504 PolarHBondContact O-N 2.83Å; L1496-A1573 HydrophobicContact CD2-CB 3.69Å; L1496-R1575 WeakPolarHBondContact CA-O 3.25Å; L1496-R1575 WeakPolarHBondContact CD2-O 3.3Å; L1496-F1576 HydrophobicContact CD1-CD1 3.63Å; L1496-F1576 HydrophobicContact CD1-CE1 3.76Å; L1496-F1576 HydrophobicContact CD2-CD1 3.43Å; L1496-F1576 VanDerWaalsContact CD2-CD1 3.43Å; L1496-F1576 HydrophobicContact CD2-CE1 3.2Å; L1496-F1576 HydrophobicContact CD2-CG 4.22Å; L1496-F1576 HydrophobicContact CD2-CZ 3.87Å; L1496-F1576 HydrophobicContact CG-CD1 3.45Å; L1496-F1576 VanDerWaalsContact CG-CD1 3.45Å; L1496-F1576 HydrophobicContact CG-CE1 3.71Å; L1496-F1576 HydrophobicContact CG-CG 4.32Å |
| 1497 | E | 61.8 | Low | 69.9 | Low | 44 Ų | 44 | 57.5 Ų | 57.5 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.5 | -176.2 | -155 | -172.3 | 138 | 0 | 0 | 108.3 | K1574 R1575 | E1497-K1574 WeakPolarHBondContact O-CB 3.41Å; E1497-K1574 PolarHBondContact O-N 3.17Å; E1497-K1574 IonicContact OE1-NZ 2.61Å; E1497-K1574 PolarHBondContact OE1-NZ 3.37Å; E1497-R1575 HydrophobicContact CB-CB 3.74Å; E1497-R1575 PolarHBondContact N-O 2.96Å; E1497-R1575 PolarHBondContact O-N 2.72Å; E1497-R1575 VanDerWaalsContact OE2-CD 3.31Å; E1497-R1575 WeakPolarHBondContact OE2-CD 3.47Å; E1497-R1575 IonicContact OE2-NH1 3.93Å |
| 1498 | T | 58.7 | Low | 70.4 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 167.7 | 177.7 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | D1500 N1501 K1502 L1571 T1572 K1574 | T1498-D1500 VanDerWaalsContact C-N 3.26Å; T1498-D1500 PolarHBondContact O-N 2.7Å; T1498-D1500 PolarHBondContact OG1-OD1 2.73Å; T1498-N1501 PolarHBondContact O-N 3.23Å; T1498-N1501 VanDerWaalsContact O-N 3.14Å; T1498-K1502 PolarHBondContact N-O 2.92Å; T1498-K1502 WeakPolarHBondContact OG1-CB 3.35Å; T1498-K1502 PolarHBondContact OG1-N 3.4Å; T1498-K1502 PolarHBondContact OG1-O 2.79Å; T1498-L1571 HydrophobicContact CG2-CD2 3.76Å; T1498-T1572 WeakPolarHBondContact CA-O 3.23Å; T1498-T1572 WeakPolarHBondContact CB-O 3.15Å; T1498-T1572 VanDerWaalsContact CG2-O 3.27Å; T1498-T1572 WeakPolarHBondContact CG2-O 3.1Å; T1498-K1574 WeakPolarHBondContact O-CD 3.4Å |
| 1499 | D | 51.6 | Low | 70.8 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29 | -179.8 | -58.7 | -61.3 | 0 | 0 | 0 | 113.5 | N1501 T1572 | D1499-N1501 PolarHBondContact O-N 3.29Å; D1499-T1572 PolarHBondContact N-O 2.84Å; D1499-T1572 WeakPolarHBondContact OD2-CB 3.1Å; D1499-T1572 PolarHBondContact OD2-OG1 3.34Å |
| 1500 | D | 58 | Low | 70.9 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 17.6 | 176.5 | 76 | 3.6 | 0 | 0 | 0 | 113.8 | T1498 K1502 | T1498-D1500 VanDerWaalsContact C-N 3.26Å; T1498-D1500 PolarHBondContact O-N 2.7Å; T1498-D1500 PolarHBondContact OG1-OD1 2.73Å; D1500-K1502 PolarHBondContact O-N 3.17Å; D1500-K1502 VanDerWaalsContact O-N 3.16Å; D1500-K1502 WeakPolarHBondContact OD1-CB 3.3Å; D1500-K1502 VanDerWaalsContact OD1-CD 3.31Å; D1500-K1502 WeakPolarHBondContact OD1-CD 3.39Å; D1500-K1502 WeakPolarHBondContact OD1-CG 3.35Å; D1500-K1502 PolarHBondContact OD1-N 2.91Å; D1500-K1502 IonicContact OD1-NZ 3.9Å; D1500-K1502 VanDerWaalsContact OD2-CE 3.31Å; D1500-K1502 WeakPolarHBondContact OD2-CE 3.42Å; D1500-K1502 IonicContact OD2-NZ 2.66Å; D1500-K1502 PolarHBondContact OD2-NZ 3.16Å |
| 1501 | N | 55.3 | Low | 70.7 | Confident | 111 Ų | 111 | 43 Ų | 43 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 60 | 11.4 | -178.1 | -64 | -19.7 | 0 | 0 | 0 | 115.4 | T1498 D1499 K1574 | T1498-N1501 PolarHBondContact O-N 3.23Å; T1498-N1501 VanDerWaalsContact O-N 3.14Å; D1499-N1501 PolarHBondContact O-N 3.29Å; N1501-K1574 PolarHBondContact OD1-NZ 3.24Å |
| 1502 | K | 60.5 | Low | 70.7 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | trans | -67.5 | 146.5 | 160.9 | -65.7 | 167.1 | -168.2 | 143.3 | 0 | 109.4 | T1498 D1500 F1520 A1521 | T1498-K1502 PolarHBondContact N-O 2.92Å; T1498-K1502 WeakPolarHBondContact OG1-CB 3.35Å; T1498-K1502 PolarHBondContact OG1-N 3.4Å; T1498-K1502 PolarHBondContact OG1-O 2.79Å; D1500-K1502 PolarHBondContact O-N 3.17Å; D1500-K1502 VanDerWaalsContact O-N 3.16Å; D1500-K1502 WeakPolarHBondContact OD1-CB 3.3Å; D1500-K1502 VanDerWaalsContact OD1-CD 3.31Å; D1500-K1502 WeakPolarHBondContact OD1-CD 3.39Å; D1500-K1502 WeakPolarHBondContact OD1-CG 3.35Å; D1500-K1502 PolarHBondContact OD1-N 2.91Å; D1500-K1502 IonicContact OD1-NZ 3.9Å; D1500-K1502 VanDerWaalsContact OD2-CE 3.31Å; D1500-K1502 WeakPolarHBondContact OD2-CE 3.42Å; D1500-K1502 IonicContact OD2-NZ 2.66Å; D1500-K1502 PolarHBondContact OD2-NZ 3.16Å; K1502-F1520 WeakPolarHBondContact CA-O 3.5Å; K1502-F1520 WeakPolarHBondContact CB-O 3.28Å; K1502-A1521 HydrophobicContact CG-CB 4.42Å | ||
| 1503 | A | 64.1 | Low | 70.6 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 159.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1495 L1496 T1519 F1520 W1525 | Y1495-A1503 HydrophobicContact CE1-CB 3.98Å; Y1495-A1503 HydrophobicContact CE2-CB 4.31Å; Y1495-A1503 WeakPolarHBondContact OH-CB 3.32Å; L1496-A1503 CarbonylContact O-C 3.53Å; L1496-A1503 VanDerWaalsContact O-CA 3.23Å; L1496-A1503 WeakPolarHBondContact O-CA 3.42Å; A1503-T1519 CarbonylContact O-C 3.47Å; A1503-F1520 HydrophobicContact CB-CB 3.99Å; A1503-F1520 HydrophobicContact CB-CD1 4.49Å; A1503-F1520 PolarHBondContact N-O 3.14Å; A1503-F1520 WeakPolarHBondContact O-CB 3.3Å; A1503-F1520 PolarHBondContact O-N 3.48Å; A1503-W1525 HydrophobicContact CB-CH2 4.38Å |
| 1504 | W | 68.4 | Low | 70.7 | Confident | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 142 | 178.8 | 39.7 | -59.7 | 0 | 0 | 0 | 109 | L1496 F1517 G1518 T1519 L1546 L1571 A1573 | L1496-W1504 HydrophobicContact CB-CD2 3.6Å; L1496-W1504 HydrophobicContact CB-CE3 4.1Å; L1496-W1504 HydrophobicContact CB-CG 3.92Å; L1496-W1504 HydrophobicContact CB-CH2 4.49Å; L1496-W1504 HydrophobicContact CB-CZ2 4.02Å; L1496-W1504 HydrophobicContact CD1-CD2 4.28Å; L1496-W1504 HydrophobicContact CD1-CE3 4.04Å; L1496-W1504 HydrophobicContact CD1-CH2 3.53Å; L1496-W1504 HydrophobicContact CD1-CZ2 3.76Å; L1496-W1504 HydrophobicContact CD1-CZ3 3.69Å; L1496-W1504 HydrophobicContact CD2-CD2 4.47Å; L1496-W1504 HydrophobicContact CD2-CH2 3.95Å; L1496-W1504 HydrophobicContact CD2-CZ2 3.29Å; L1496-W1504 HydrophobicContact CG-CD2 4.32Å; L1496-W1504 HydrophobicContact CG-CH2 4.17Å; L1496-W1504 HydrophobicContact CG-CZ2 3.85Å; L1496-W1504 PolarHBondContact N-O 3.23Å; L1496-W1504 VanDerWaalsContact O-CD1 3.26Å; L1496-W1504 PolarHBondContact O-N 2.83Å; W1504-F1517 HydrophobicContact CB-CE2 4.36Å; W1504-F1517 HydrophobicContact CB-CZ 4.05Å; W1504-F1517 AromaticContact CE3-CE2 3.87Å; W1504-F1517 HydrophobicContact CE3-CE2 3.87Å; W1504-F1517 HydrophobicContact CE3-CZ 4.03Å; W1504-G1518 WeakPolarHBondContact CA-O 3.5Å; W1504-T1519 HydrophobicContact CB-CG2 4.48Å; W1504-L1546 HydrophobicContact CH2-CD1 4.45Å; W1504-L1546 HydrophobicContact CH2-CD2 3.76Å; W1504-L1546 HydrophobicContact CZ3-CD1 4.34Å; W1504-L1546 HydrophobicContact CZ3-CD2 4.38Å; W1504-L1571 HydrophobicContact CD2-CD1 4.14Å; W1504-L1571 HydrophobicContact CD2-CD2 3.71Å; W1504-L1571 HydrophobicContact CE3-CD1 3.92Å; W1504-L1571 HydrophobicContact CE3-CD2 4.36Å; W1504-L1571 HydrophobicContact CG-CD2 4.07Å; W1504-L1571 HydrophobicContact CH2-CD1 3.34Å; W1504-L1571 HydrophobicContact CH2-CD2 4.18Å; W1504-L1571 HydrophobicContact CH2-CG 4.23Å; W1504-L1571 HydrophobicContact CZ2-CB 4.3Å; W1504-L1571 HydrophobicContact CZ2-CD1 3.59Å; W1504-L1571 HydrophobicContact CZ2-CD2 3.52Å; W1504-L1571 HydrophobicContact CZ2-CG 3.98Å; W1504-L1571 HydrophobicContact CZ3-CD1 3.52Å; W1504-A1573 HydrophobicContact CZ2-CB 4.35Å |
| 1505 | R | 72 | Confident | 71.1 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.6 | -179 | 178 | -174.5 | -82.7 | 144.5 | -3.4 | 108.6 | L1494 Y1495 G1518 W1525 | L1494-R1505 WeakPolarHBondContact O-CA 3.45Å; Y1495-R1505 HydrophobicContact CD2-CB 4.23Å; R1505-G1518 PolarHBondContact N-O 3.37Å; R1505-G1518 PolarHBondContact O-N 3.17Å; R1505-W1525 HydrophobicContact CB-CH2 3.79Å; R1505-W1525 HydrophobicContact CB-CZ3 3.77Å |
| 1506 | L | 80.4 | Confident | 71.5 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.7 | 160.8 | 178.5 | 62.5 | 0 | 0 | 0 | 108.7 | Q1493 L1494 W1515 F1531 F1544 | Q1493-L1506 WeakPolarHBondContact CA-O 3.35Å; L1494-L1506 HydrophobicContact CB-CB 4.3Å; L1494-L1506 PolarHBondContact N-O 3.13Å; L1494-L1506 PolarHBondContact O-N 2.79Å; L1506-W1515 HydrophobicContact CD1-CE3 4.11Å; L1506-W1515 HydrophobicContact CD2-CE3 4.08Å; L1506-W1515 HydrophobicContact CD2-CZ3 4.03Å; L1506-W1515 HydrophobicContact CG-CE3 4.36Å; L1506-F1531 HydrophobicContact CD1-CE1 3.63Å; L1506-F1531 HydrophobicContact CD1-CZ 3.51Å; L1506-F1544 HydrophobicContact CD2-CE2 3.76Å; L1506-F1544 HydrophobicContact CD2-CZ 4Å |
| 1507 | Y | 81.8 | Confident | 72 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 28% | 0.275 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.4 | 178.9 | 177.3 | -75.5 | 0 | 0 | 0 | 109 | K1491 Q1493 P1509 W1515 M1516 | K1491-Y1507 HydrophobicContact CD-CE2 4.17Å; Q1493-Y1507 HydrophobicContact CG-CD2 3.82Å; Q1493-Y1507 HydrophobicContact CG-CE2 4.41Å; Q1493-Y1507 VanDerWaalsContact NE2-CD2 3.26Å; Q1493-Y1507 VanDerWaalsContact NE2-CE2 3.33Å; Y1507-P1509 HydrophobicContact CD1-CG 4.3Å; Y1507-P1509 HydrophobicContact CE1-CB 3.84Å; Y1507-P1509 HydrophobicContact CE1-CG 3.74Å; Y1507-W1515 WeakPolarHBondContact O-CA 3.41Å; Y1507-M1516 HydrophobicContact CD1-CE 3.32Å; Y1507-M1516 HydrophobicContact CE1-CE 3.58Å; Y1507-M1516 HydrophobicContact CG-CE 3.97Å; Y1507-M1516 PolarHBondContact N-O 2.89Å; Y1507-M1516 PolarHBondContact O-N 3.47Å |
| 1508 | A | 83.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 103.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K1491 F1492 W1515 L1536 | K1491-A1508 CarbonylContact C-O 3.55Å; K1491-A1508 WeakPolarHBondContact CA-O 3.37Å; F1492-A1508 HydrophobicContact CB-CB 4.28Å; F1492-A1508 HydrophobicContact CD1-CB 4.33Å; F1492-A1508 PolarHBondContact N-O 3.21Å; F1492-A1508 PolarHBondContact O-N 2.85Å; A1508-W1515 HydrophobicContact CB-CD2 3.45Å; A1508-W1515 VanDerWaalsContact CB-CD2 3.45Å; A1508-W1515 VanDerWaalsContact CB-CE2 3.45Å; A1508-W1515 HydrophobicContact CB-CE3 3.87Å; A1508-W1515 HydrophobicContact CB-CG 3.79Å; A1508-W1515 HydrophobicContact CB-CH2 4.21Å; A1508-W1515 HydrophobicContact CB-CZ2 3.87Å; A1508-W1515 HydrophobicContact CB-CZ3 4.21Å; A1508-L1536 HydrophobicContact CB-CD1 4.21Å |
| 1509 | P | 82.9 | Confident | 72.7 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.4 | 176 | 22.9 | -18.1 | 0 | 0 | 0 | 109.9 | Y1507 S1512 D1514 | Y1507-P1509 HydrophobicContact CD1-CG 4.3Å; Y1507-P1509 HydrophobicContact CE1-CB 3.84Å; Y1507-P1509 HydrophobicContact CE1-CG 3.74Å; P1509-S1512 VanDerWaalsContact O-CB 3.31Å; P1509-S1512 WeakPolarHBondContact O-CB 3.39Å; P1509-S1512 PolarHBondContact O-N 2.75Å; P1509-D1514 WeakPolarHBondContact CD-O 3.44Å |
| 1510 | L | 79.9 | Confident | 73.1 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 148 | -176.7 | -94.5 | 82.5 | 0 | 0 | 0 | 111.7 | L1485 A1489 K1490 K1491 S1512 L1536 A1538 | L1485-L1510 HydrophobicContact CD1-CD1 4.22Å; L1485-L1510 HydrophobicContact CD1-CD2 4.18Å; L1485-L1510 HydrophobicContact CD1-CG 4.44Å; A1489-L1510 HydrophobicContact CB-CD1 4.47Å; A1489-L1510 HydrophobicContact CB-CD2 4.47Å; A1489-L1510 WeakPolarHBondContact O-CD2 3.46Å; K1490-L1510 PolarHBondContact O-N 2.74Å; K1490-L1510 VanDerWaalsContact O-N 3.1Å; K1491-L1510 VanDerWaalsContact CA-CD1 3.43Å; L1510-S1512 PolarHBondContact O-N 2.71Å; L1510-S1512 VanDerWaalsContact O-N 3.08Å; L1510-L1536 HydrophobicContact CD1-CB 4.4Å; L1510-L1536 HydrophobicContact CG-CB 3.96Å; L1510-L1536 WeakPolarHBondContact CG-O 3.28Å; L1510-A1538 HydrophobicContact CD2-CB 3.93Å |
| 1511 | G | 78.4 | Confident | 73 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -11 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1535 L1536 | G1511-K1535 VanDerWaalsContact O-CD 3.26Å; G1511-K1535 WeakPolarHBondContact O-CD 3.36Å; G1511-K1535 WeakPolarHBondContact O-CE 3.12Å; G1511-K1535 PolarHBondContact O-NZ 3.07Å; G1511-L1536 PolarHBondContact N-O 3.03Å |
| 1512 | S | 80.9 | Confident | 72.9 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | trans | -88.1 | 154.7 | 172.3 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | P1509 L1510 D1514 | P1509-S1512 VanDerWaalsContact O-CB 3.31Å; P1509-S1512 WeakPolarHBondContact O-CB 3.39Å; P1509-S1512 PolarHBondContact O-N 2.75Å; L1510-S1512 PolarHBondContact O-N 2.71Å; L1510-S1512 VanDerWaalsContact O-N 3.08Å; S1512-D1514 PolarHBondContact OG-N 3.1Å | ||
| 1513 | K | 78.5 | Confident | 72.4 | Confident | 99 Ų | 99 | 43.5 Ų | 43.5 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -95.5 | -19.5 | 159.5 | -69.8 | -163.7 | -176.1 | -173.1 | 0 | 112.8 | W1515 E1532 G1533 K1535 | K1513-W1515 PolarHBondContact O-N 3.16Å; K1513-E1532 HydrophobicContact CB-CG 3.78Å; K1513-E1532 HydrophobicContact CD-CG 3.63Å; K1513-E1532 WeakPolarHBondContact CD-OE1 3.25Å; K1513-E1532 WeakPolarHBondContact CE-OE1 3.48Å; K1513-E1532 HydrophobicContact CG-CG 4.39Å; K1513-E1532 IonicContact NZ-OE1 2.63Å; K1513-E1532 PolarHBondContact NZ-OE1 2.9Å; K1513-E1532 CarbonylContact O-C 3.5Å; K1513-E1532 WeakPolarHBondContact O-CA 3.42Å; K1513-G1533 WeakPolarHBondContact CA-O 3.44Å; K1513-G1533 WeakPolarHBondContact CB-O 3.32Å; K1513-G1533 PolarHBondContact O-N 3.46Å; K1513-K1535 HydrophobicContact CG-CD 4.39Å; K1513-K1535 HydrophobicContact CG-CG 3.61Å |
| 1514 | D | 81.4 | Confident | 72 | Confident | 69 Ų | 69 | 47 Ų | 47 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 107.1 | -179.2 | -177.8 | 29.9 | 0 | 0 | 0 | 110.2 | P1509 S1512 H1530 | P1509-D1514 WeakPolarHBondContact CD-O 3.44Å; S1512-D1514 PolarHBondContact OG-N 3.1Å; D1514-H1530 WeakPolarHBondContact OD1-CB 2.97Å; D1514-H1530 IonicContact OD1-CG 3.47Å; D1514-H1530 IonicContact OD1-ND1 2.86Å; D1514-H1530 PolarHBondContact OD1-ND1 3.47Å; D1514-H1530 IonicContact OD2-CE1 3.43Å; D1514-H1530 PolarHBondContact OD2-CE1 3.28Å; D1514-H1530 IonicContact OD2-ND1 2.86Å; D1514-H1530 PolarHBondContact OD2-ND1 3.2Å |
| 1515 | W | 82.7 | Confident | 71.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.4 | 179.3 | -71.8 | 32.5 | 0 | 0 | 0 | 109 | L1506 Y1507 A1508 K1513 H1530 F1531 P1534 L1536 V1557 | L1506-W1515 HydrophobicContact CD1-CE3 4.11Å; L1506-W1515 HydrophobicContact CD2-CE3 4.08Å; L1506-W1515 HydrophobicContact CD2-CZ3 4.03Å; L1506-W1515 HydrophobicContact CG-CE3 4.36Å; Y1507-W1515 WeakPolarHBondContact O-CA 3.41Å; A1508-W1515 HydrophobicContact CB-CD2 3.45Å; A1508-W1515 VanDerWaalsContact CB-CD2 3.45Å; A1508-W1515 VanDerWaalsContact CB-CE2 3.45Å; A1508-W1515 HydrophobicContact CB-CE3 3.87Å; A1508-W1515 HydrophobicContact CB-CG 3.79Å; A1508-W1515 HydrophobicContact CB-CH2 4.21Å; A1508-W1515 HydrophobicContact CB-CZ2 3.87Å; A1508-W1515 HydrophobicContact CB-CZ3 4.21Å; K1513-W1515 PolarHBondContact O-N 3.16Å; W1515-H1530 CarbonylContact O-C 3.47Å; W1515-H1530 WeakPolarHBondContact O-CA 2.97Å; W1515-F1531 HydrophobicContact CB-CD1 4.38Å; W1515-F1531 HydrophobicContact CB-CD2 4.06Å; W1515-F1531 HydrophobicContact CB-CE1 4.09Å; W1515-F1531 HydrophobicContact CB-CE2 3.75Å; W1515-F1531 HydrophobicContact CB-CG 4.4Å; W1515-F1531 HydrophobicContact CB-CZ 3.79Å; W1515-F1531 HydrophobicContact CD2-CE2 4.27Å; W1515-F1531 AromaticContact CE3-CE2 3.93Å; W1515-F1531 HydrophobicContact CE3-CE2 3.93Å; W1515-F1531 AromaticContact CE3-CZ 3.93Å; W1515-F1531 HydrophobicContact CE3-CZ 3.93Å; W1515-F1531 HydrophobicContact CG-CE2 4.26Å; W1515-F1531 PolarHBondContact N-O 2.85Å; W1515-F1531 WeakPolarHBondContact O-CD1 3.33Å; W1515-F1531 PolarHBondContact O-N 2.93Å; W1515-P1534 HydrophobicContact CH2-CG 4.26Å; W1515-P1534 HydrophobicContact CZ2-CG 3.85Å; W1515-P1534 WeakPolarHBondContact CZ2-O 3.48Å; W1515-P1534 PolarHBondContact NE1-O 3.25Å; W1515-L1536 HydrophobicContact CH2-CD1 3.95Å; W1515-L1536 HydrophobicContact CH2-CG 4.47Å; W1515-L1536 HydrophobicContact CZ2-CD1 3.63Å; W1515-L1536 HydrophobicContact CZ2-CD2 4.45Å; W1515-L1536 HydrophobicContact CZ2-CG 3.84Å; W1515-V1557 HydrophobicContact CH2-CB 4.4Å; W1515-V1557 HydrophobicContact CH2-CG1 3.93Å; W1515-V1557 HydrophobicContact CH2-CG2 3.86Å; W1515-V1557 HydrophobicContact CZ3-CG2 3.77Å |
| 1516 | M | 77.9 | Confident | 70.8 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.2 | -176.5 | -65.4 | -174.7 | -71.3 | 0 | 0 | 111.6 | Y1507 H1530 | Y1507-M1516 HydrophobicContact CD1-CE 3.32Å; Y1507-M1516 HydrophobicContact CE1-CE 3.58Å; Y1507-M1516 HydrophobicContact CG-CE 3.97Å; Y1507-M1516 PolarHBondContact N-O 2.89Å; Y1507-M1516 PolarHBondContact O-N 3.47Å; M1516-H1530 VanDerWaalsContact CG-CE1 3.45Å; M1516-H1530 WeakPolarHBondContact CG-CE1 3.44Å; M1516-H1530 PolarHBondContact SD-CE1 2.93Å |
| 1517 | F | 73.6 | Confident | 69.6 | Low | 15 Ų | 15 | 59.9 Ų | 59.9 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.4 | 167.9 | -169.8 | -105.7 | 0 | 0 | 0 | 111 | W1504 T1519 Q1528 K1529 F1531 L1568 | W1504-F1517 HydrophobicContact CB-CE2 4.36Å; W1504-F1517 HydrophobicContact CB-CZ 4.05Å; W1504-F1517 AromaticContact CE3-CE2 3.87Å; W1504-F1517 HydrophobicContact CE3-CE2 3.87Å; W1504-F1517 HydrophobicContact CE3-CZ 4.03Å; F1517-T1519 HydrophobicContact CD1-CG2 4.26Å; F1517-T1519 HydrophobicContact CE1-CG2 3.52Å; F1517-T1519 HydrophobicContact CZ-CG2 4.16Å; F1517-Q1528 CarbonylContact O-C 3.53Å; F1517-Q1528 WeakPolarHBondContact O-CA 3.18Å; F1517-K1529 PolarHBondContact N-O 3.06Å; F1517-K1529 PolarHBondContact O-N 3.09Å; F1517-F1531 HydrophobicContact CB-CE1 4.16Å; F1517-L1568 HydrophobicContact CB-CD2 4.47Å; F1517-L1568 HydrophobicContact CD1-CD2 3.95Å; F1517-L1568 HydrophobicContact CD2-CD1 3.94Å; F1517-L1568 HydrophobicContact CD2-CD2 4.1Å; F1517-L1568 HydrophobicContact CE1-CD2 4.14Å; F1517-L1568 HydrophobicContact CE2-CD1 3.66Å; F1517-L1568 HydrophobicContact CE2-CD2 4.29Å; F1517-L1568 HydrophobicContact CE2-CG 4.48Å; F1517-L1568 HydrophobicContact CG-CD2 3.92Å; F1517-L1568 HydrophobicContact CZ-CB 4.44Å; F1517-L1568 HydrophobicContact CZ-CD1 4.08Å; F1517-L1568 HydrophobicContact CZ-CD2 4.31Å |
| 1518 | G | 71.6 | Confident | 68.5 | Low | 5 Ų | 5 | 61.8 Ų | 61.8 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1504 R1505 | W1504-G1518 WeakPolarHBondContact CA-O 3.5Å; R1505-G1518 PolarHBondContact N-O 3.37Å; R1505-G1518 PolarHBondContact O-N 3.17Å |
| 1519 | T | 64.2 | Low | 67.6 | Low | 56 Ų | 56 | 68.7 Ų | 68.7 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.9 | 169.4 | 53.2 | 0 | 0 | 0 | 0 | 110 | A1503 W1504 F1517 W1525 Q1526 | A1503-T1519 CarbonylContact O-C 3.47Å; W1504-T1519 HydrophobicContact CB-CG2 4.48Å; F1517-T1519 HydrophobicContact CD1-CG2 4.26Å; F1517-T1519 HydrophobicContact CE1-CG2 3.52Å; F1517-T1519 HydrophobicContact CZ-CG2 4.16Å; T1519-W1525 CarbonylContact O-C 3.58Å; T1519-W1525 WeakPolarHBondContact O-CA 3.31Å; T1519-Q1526 PolarHBondContact O-N 3.19Å |
| 1520 | F | 59.2 | Low | 67.3 | Low | 62 Ų | 62 | 72 Ų | 72 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 113.9 | -179.2 | -172.6 | -105.3 | 0 | 0 | 0 | 109.2 | K1502 A1503 G1523 T1524 W1525 | K1502-F1520 WeakPolarHBondContact CA-O 3.5Å; K1502-F1520 WeakPolarHBondContact CB-O 3.28Å; A1503-F1520 HydrophobicContact CB-CB 3.99Å; A1503-F1520 HydrophobicContact CB-CD1 4.49Å; A1503-F1520 PolarHBondContact N-O 3.14Å; A1503-F1520 WeakPolarHBondContact O-CB 3.3Å; A1503-F1520 PolarHBondContact O-N 3.48Å; F1520-G1523 VanDerWaalsContact CE2-C 3.43Å; F1520-G1523 WeakPolarHBondContact CE2-O 3.43Å; F1520-G1523 VanDerWaalsContact CZ-C 3.48Å; F1520-G1523 WeakPolarHBondContact CZ-O 3.18Å; F1520-T1524 WeakPolarHBondContact CA-O 3.24Å; F1520-T1524 VanDerWaalsContact CD2-C 3.49Å; F1520-T1524 WeakPolarHBondContact CD2-O 3.49Å; F1520-W1525 HydrophobicContact CB-CD2 4.05Å; F1520-W1525 HydrophobicContact CB-CE3 3.98Å; F1520-W1525 HydrophobicContact CB-CH2 3.83Å; F1520-W1525 HydrophobicContact CB-CZ2 3.89Å; F1520-W1525 HydrophobicContact CB-CZ3 3.88Å; F1520-W1525 AromaticContact CD2-CD1 3.68Å; F1520-W1525 AromaticContact CD2-CD2 3.87Å; F1520-W1525 HydrophobicContact CD2-CD2 3.87Å; F1520-W1525 AromaticContact CD2-CE2 3.59Å; F1520-W1525 AromaticContact CD2-CG 3.9Å; F1520-W1525 HydrophobicContact CD2-CG 3.9Å; F1520-W1525 HydrophobicContact CD2-CZ2 4.1Å; F1520-W1525 AromaticContact CD2-NE1 3.48Å; F1520-W1525 AromaticContact CE2-NE1 3.9Å; F1520-W1525 HydrophobicContact CG-CD2 4.43Å; F1520-W1525 HydrophobicContact CG-CZ2 4.19Å |
| 1521 | A | 56.3 | Low | 66.8 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | K1502 G1523 T1524 Q1526 | K1502-A1521 HydrophobicContact CG-CB 4.42Å; A1521-G1523 VanDerWaalsContact C-N 3.26Å; A1521-G1523 PolarHBondContact O-N 3.02Å; A1521-T1524 PolarHBondContact N-O 3.02Å; A1521-T1524 PolarHBondContact O-N 3.26Å; A1521-T1524 PolarHBondContact O-OG1 3.14Å; A1521-Q1526 HydrophobicContact CB-CG 4.16Å |
| 1522 | N | 52.9 | Low | 66.4 | Low | 156 Ų | 156 | 75.1 Ų | 75.1 | 83% | 0.834 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 45.5 | -176.6 | -59.3 | 1.1 | 0 | 0 | 0 | 112.6 | T1524 | N1522-T1524 PolarHBondContact O-N 2.99Å; N1522-T1524 VanDerWaalsContact O-N 3.12Å; N1522-T1524 PolarHBondContact O-OG1 2.87Å |
| 1523 | G | 50.7 | Low | 66 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1520 A1521 | F1520-G1523 VanDerWaalsContact CE2-C 3.43Å; F1520-G1523 WeakPolarHBondContact CE2-O 3.43Å; F1520-G1523 VanDerWaalsContact CZ-C 3.48Å; F1520-G1523 WeakPolarHBondContact CZ-O 3.18Å; A1521-G1523 VanDerWaalsContact C-N 3.26Å; A1521-G1523 PolarHBondContact O-N 3.02Å |
| 1524 | T | 55.2 | Low | 65.9 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153 | -175.4 | 48.2 | 0 | 0 | 0 | 0 | 112 | F1520 A1521 N1522 Q1526 | F1520-T1524 WeakPolarHBondContact CA-O 3.24Å; F1520-T1524 VanDerWaalsContact CD2-C 3.49Å; F1520-T1524 WeakPolarHBondContact CD2-O 3.49Å; A1521-T1524 PolarHBondContact N-O 3.02Å; A1521-T1524 PolarHBondContact O-N 3.26Å; A1521-T1524 PolarHBondContact O-OG1 3.14Å; N1522-T1524 PolarHBondContact O-N 2.99Å; N1522-T1524 VanDerWaalsContact O-N 3.12Å; N1522-T1524 PolarHBondContact O-OG1 2.87Å; T1524-Q1526 PolarHBondContact O-N 2.77Å |
| 1525 | W | 54.3 | Low | 65.7 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 35% | 0.348 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 106.7 | 170.3 | -73.7 | 92.2 | 0 | 0 | 0 | 109.1 | Y1495 A1503 R1505 T1519 F1520 | Y1495-W1525 HydrophobicContact CD2-CH2 4.33Å; Y1495-W1525 AromaticContact CE2-CH2 3.67Å; Y1495-W1525 HydrophobicContact CE2-CH2 3.67Å; Y1495-W1525 AromaticContact CE2-CZ2 3.72Å; Y1495-W1525 HydrophobicContact CE2-CZ2 3.72Å; A1503-W1525 HydrophobicContact CB-CH2 4.38Å; R1505-W1525 HydrophobicContact CB-CH2 3.79Å; R1505-W1525 HydrophobicContact CB-CZ3 3.77Å; T1519-W1525 CarbonylContact O-C 3.58Å; T1519-W1525 WeakPolarHBondContact O-CA 3.31Å; F1520-W1525 HydrophobicContact CB-CD2 4.05Å; F1520-W1525 HydrophobicContact CB-CE3 3.98Å; F1520-W1525 HydrophobicContact CB-CH2 3.83Å; F1520-W1525 HydrophobicContact CB-CZ2 3.89Å; F1520-W1525 HydrophobicContact CB-CZ3 3.88Å; F1520-W1525 AromaticContact CD2-CD1 3.68Å; F1520-W1525 AromaticContact CD2-CD2 3.87Å; F1520-W1525 HydrophobicContact CD2-CD2 3.87Å; F1520-W1525 AromaticContact CD2-CE2 3.59Å; F1520-W1525 AromaticContact CD2-CG 3.9Å; F1520-W1525 HydrophobicContact CD2-CG 3.9Å; F1520-W1525 HydrophobicContact CD2-CZ2 4.1Å; F1520-W1525 AromaticContact CD2-NE1 3.48Å; F1520-W1525 AromaticContact CE2-NE1 3.9Å; F1520-W1525 HydrophobicContact CG-CD2 4.43Å; F1520-W1525 HydrophobicContact CG-CZ2 4.19Å |
| 1526 | Q | 60.8 | Low | 65.7 | Low | 90 Ų | 90 | 71.2 Ų | 71.2 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 156 | 174.5 | -68.4 | -77.2 | -35.4 | 0 | 0 | 110.6 | T1519 A1521 T1524 Q1528 | T1519-Q1526 PolarHBondContact O-N 3.19Å; A1521-Q1526 HydrophobicContact CB-CG 4.16Å; T1524-Q1526 PolarHBondContact O-N 2.77Å; Q1526-Q1528 PolarHBondContact O-N 2.83Å |
| 1527 | K | 55.9 | Low | 65.7 | Low | 197 Ų | 197 | 74.4 Ų | 74.4 | 86% | 0.857 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -32.4 | 113.1 | -168.7 | -143.2 | 175.9 | -169.8 | 178.8 | 0 | 114 | K1529 | K1527-K1529 PolarHBondContact O-N 3.42Å |
| 1528 | Q | 57.7 | Low | 66 | Low | 109 Ų | 109 | 76.1 Ų | 76.1 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 128.1 | 176.2 | -67.8 | 175.9 | 1.5 | 0 | 0 | 109.8 | F1517 Q1526 | F1517-Q1528 CarbonylContact O-C 3.53Å; F1517-Q1528 WeakPolarHBondContact O-CA 3.18Å; Q1526-Q1528 PolarHBondContact O-N 2.83Å |
| 1529 | K | 65.7 | Low | 66 | Low | 146 Ų | 146 | 77.8 Ų | 77.8 | 64% | 0.635 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.9 | 178.9 | -162.3 | -179.5 | -176.9 | -171.7 | 0 | 109 | F1517 K1527 | F1517-K1529 PolarHBondContact N-O 3.06Å; F1517-K1529 PolarHBondContact O-N 3.09Å; K1527-K1529 PolarHBondContact O-N 3.42Å |
| 1530 | H | 75.2 | Confident | 66.6 | Low | 99 Ų | 99 | 76.5 Ų | 76.5 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 145.7 | 176.4 | -70.6 | -110.5 | 0 | 0 | 0 | 110.7 | D1514 W1515 M1516 | D1514-H1530 WeakPolarHBondContact OD1-CB 2.97Å; D1514-H1530 IonicContact OD1-CG 3.47Å; D1514-H1530 IonicContact OD1-ND1 2.86Å; D1514-H1530 PolarHBondContact OD1-ND1 3.47Å; D1514-H1530 IonicContact OD2-CE1 3.43Å; D1514-H1530 PolarHBondContact OD2-CE1 3.28Å; D1514-H1530 IonicContact OD2-ND1 2.86Å; D1514-H1530 PolarHBondContact OD2-ND1 3.2Å; W1515-H1530 CarbonylContact O-C 3.47Å; W1515-H1530 WeakPolarHBondContact O-CA 2.97Å; M1516-H1530 VanDerWaalsContact CG-CE1 3.45Å; M1516-H1530 WeakPolarHBondContact CG-CE1 3.44Å; M1516-H1530 PolarHBondContact SD-CE1 2.93Å |
| 1531 | F | 69.9 | Low | 67.1 | Low | 29 Ų | 29 | 77 Ų | 77 | 13% | 0.127 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.4 | 174.5 | 68.3 | -95.5 | 0 | 0 | 0 | 112 | L1506 W1515 F1517 G1533 Y1566 | L1506-F1531 HydrophobicContact CD1-CE1 3.63Å; L1506-F1531 HydrophobicContact CD1-CZ 3.51Å; W1515-F1531 HydrophobicContact CB-CD1 4.38Å; W1515-F1531 HydrophobicContact CB-CD2 4.06Å; W1515-F1531 HydrophobicContact CB-CE1 4.09Å; W1515-F1531 HydrophobicContact CB-CE2 3.75Å; W1515-F1531 HydrophobicContact CB-CG 4.4Å; W1515-F1531 HydrophobicContact CB-CZ 3.79Å; W1515-F1531 HydrophobicContact CD2-CE2 4.27Å; W1515-F1531 AromaticContact CE3-CE2 3.93Å; W1515-F1531 HydrophobicContact CE3-CE2 3.93Å; W1515-F1531 AromaticContact CE3-CZ 3.93Å; W1515-F1531 HydrophobicContact CE3-CZ 3.93Å; W1515-F1531 HydrophobicContact CG-CE2 4.26Å; W1515-F1531 PolarHBondContact N-O 2.85Å; W1515-F1531 WeakPolarHBondContact O-CD1 3.33Å; W1515-F1531 PolarHBondContact O-N 2.93Å; F1517-F1531 HydrophobicContact CB-CE1 4.16Å; F1531-G1533 PolarHBondContact O-N 2.95Å; F1531-Y1566 HydrophobicContact CB-CD1 4.23Å; F1531-Y1566 HydrophobicContact CB-CE1 3.82Å; F1531-Y1566 HydrophobicContact CD2-CD1 4.04Å; F1531-Y1566 AromaticContact CD2-CD2 3.52Å; F1531-Y1566 HydrophobicContact CD2-CD2 3.52Å; F1531-Y1566 AromaticContact CD2-CE1 3.9Å; F1531-Y1566 HydrophobicContact CD2-CE1 3.9Å; F1531-Y1566 AromaticContact CD2-CE2 3.33Å; F1531-Y1566 HydrophobicContact CD2-CE2 3.33Å; F1531-Y1566 AromaticContact CD2-CG 3.88Å; F1531-Y1566 HydrophobicContact CD2-CG 3.88Å; F1531-Y1566 AromaticContact CD2-CZ 3.55Å; F1531-Y1566 AromaticContact CE2-CD2 3.54Å; F1531-Y1566 HydrophobicContact CE2-CD2 3.54Å; F1531-Y1566 AromaticContact CE2-CE2 3.72Å; F1531-Y1566 HydrophobicContact CE2-CE2 3.72Å; F1531-Y1566 HydrophobicContact CE2-CG 4.06Å; F1531-Y1566 HydrophobicContact CG-CD1 4.28Å; F1531-Y1566 HydrophobicContact CG-CD2 4.48Å; F1531-Y1566 HydrophobicContact CG-CE1 4.19Å; F1531-Y1566 HydrophobicContact CG-CE2 4.37Å; F1531-Y1566 HydrophobicContact CG-CG 4.44Å |
| 1532 | E | 70.3 | Confident | 67.8 | Low | 112 Ų | 112 | 76.2 Ų | 76.2 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 86.6 | -172.5 | -161.8 | -178.8 | 166.7 | 0 | 0 | 111.7 | K1513 Y1566 | K1513-E1532 HydrophobicContact CB-CG 3.78Å; K1513-E1532 HydrophobicContact CD-CG 3.63Å; K1513-E1532 WeakPolarHBondContact CD-OE1 3.25Å; K1513-E1532 WeakPolarHBondContact CE-OE1 3.48Å; K1513-E1532 HydrophobicContact CG-CG 4.39Å; K1513-E1532 IonicContact NZ-OE1 2.63Å; K1513-E1532 PolarHBondContact NZ-OE1 2.9Å; K1513-E1532 CarbonylContact O-C 3.5Å; K1513-E1532 WeakPolarHBondContact O-CA 3.42Å; E1532-Y1566 VanDerWaalsContact C-OH 3.23Å; E1532-Y1566 PolarHBondContact N-OH 2.74Å; E1532-Y1566 PolarHBondContact O-OH 3.01Å |
| 1533 | G | 73.1 | Confident | 68.4 | Low | 3 Ų | 3 | 70.7 Ų | 70.7 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | trans | -82 | 170 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1513 F1531 | K1513-G1533 WeakPolarHBondContact CA-O 3.44Å; K1513-G1533 WeakPolarHBondContact CB-O 3.32Å; K1513-G1533 PolarHBondContact O-N 3.46Å; F1531-G1533 PolarHBondContact O-N 2.95Å | ||
| 1534 | P | 75.6 | Confident | 69.4 | Low | 16 Ų | 16 | 68.3 Ų | 68.3 | 10% | 0.104 | 33% | 0.334 | C | S | . | . | trans | -66.4 | 151.2 | 175 | 27.9 | -33.9 | 0 | 0 | 0 | 111.8 | W1515 L1536 V1557 T1559 | W1515-P1534 HydrophobicContact CH2-CG 4.26Å; W1515-P1534 HydrophobicContact CZ2-CG 3.85Å; W1515-P1534 WeakPolarHBondContact CZ2-O 3.48Å; W1515-P1534 PolarHBondContact NE1-O 3.25Å; P1534-L1536 PolarHBondContact O-N 2.9Å; P1534-V1557 HydrophobicContact CG-CB 4.01Å; P1534-V1557 HydrophobicContact CG-CG1 3.75Å; P1534-T1559 HydrophobicContact CB-CG2 3.94Å; P1534-T1559 HydrophobicContact CG-CG2 3.9Å | ||
| 1535 | K | 77.6 | Confident | 69.7 | Low | 104 Ų | 104 | 65.9 Ų | 65.9 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | trans | -74.2 | 113.1 | 174.9 | -70.5 | -161.8 | 170.3 | -145.6 | 0 | 110.5 | G1511 K1513 | G1511-K1535 VanDerWaalsContact O-CD 3.26Å; G1511-K1535 WeakPolarHBondContact O-CD 3.36Å; G1511-K1535 WeakPolarHBondContact O-CE 3.12Å; G1511-K1535 PolarHBondContact O-NZ 3.07Å; K1513-K1535 HydrophobicContact CG-CD 4.39Å; K1513-K1535 HydrophobicContact CG-CG 3.61Å | ||
| 1536 | L | 81.7 | Confident | 70.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -84.9 | 139.9 | 173.6 | -63.4 | 174 | 0 | 0 | 0 | 111.2 | L1485 F1492 A1508 L1510 G1511 W1515 P1534 F1542 T1559 | L1485-L1536 HydrophobicContact CD1-CB 3.82Å; L1485-L1536 HydrophobicContact CD1-CD1 4.2Å; L1485-L1536 HydrophobicContact CD1-CD2 4.36Å; L1485-L1536 HydrophobicContact CD1-CG 4.34Å; F1492-L1536 HydrophobicContact CB-CD1 4.04Å; F1492-L1536 HydrophobicContact CG-CD1 4.45Å; A1508-L1536 HydrophobicContact CB-CD1 4.21Å; L1510-L1536 HydrophobicContact CD1-CB 4.4Å; L1510-L1536 HydrophobicContact CG-CB 3.96Å; L1510-L1536 WeakPolarHBondContact CG-O 3.28Å; G1511-L1536 PolarHBondContact N-O 3.03Å; W1515-L1536 HydrophobicContact CH2-CD1 3.95Å; W1515-L1536 HydrophobicContact CH2-CG 4.47Å; W1515-L1536 HydrophobicContact CZ2-CD1 3.63Å; W1515-L1536 HydrophobicContact CZ2-CD2 4.45Å; W1515-L1536 HydrophobicContact CZ2-CG 3.84Å; P1534-L1536 PolarHBondContact O-N 2.9Å; L1536-F1542 HydrophobicContact CD1-CE1 4.14Å; L1536-F1542 HydrophobicContact CD1-CZ 4.16Å; L1536-F1542 HydrophobicContact CD2-CD1 3.73Å; L1536-F1542 HydrophobicContact CD2-CD2 4.49Å; L1536-F1542 HydrophobicContact CD2-CE1 3.92Å; L1536-F1542 HydrophobicContact CD2-CG 4.04Å; L1536-F1542 HydrophobicContact CD2-CZ 4.38Å; L1536-T1559 HydrophobicContact CD2-CG2 3.85Å | ||
| 1537 | K | 78.7 | Confident | 69.9 | Low | 111 Ų | 111 | 61.3 Ų | 61.3 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | trans | -113 | 151.2 | 176.9 | -64.4 | 161.9 | -177.2 | 166.1 | 0 | 109.8 | L1485 Q1540 E1561 | L1485-K1537 WeakPolarHBondContact CD1-O 3.24Å; K1537-Q1540 HydrophobicContact CB-CB 4.23Å; K1537-Q1540 WeakPolarHBondContact O-CB 3.43Å; K1537-Q1540 PolarHBondContact O-N 3.45Å; K1537-Q1540 VanDerWaalsContact O-N 3.16Å; K1537-E1561 IonicContact NZ-OE1 2.88Å; K1537-E1561 PolarHBondContact NZ-OE1 2.84Å; K1537-E1561 IonicContact NZ-OE2 2.69Å | ||
| 1538 | A | 79.8 | Confident | 69.8 | Low | 50 Ų | 50 | 52.6 Ų | 52.6 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 143.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1487 L1510 Q1540 | P1487-A1538 VanDerWaalsContact O-CB 3.29Å; P1487-A1538 WeakPolarHBondContact O-CB 3.32Å; L1510-A1538 HydrophobicContact CD2-CB 3.93Å; A1538-Q1540 PolarHBondContact O-N 2.83Å |
| 1539 | G | 70.8 | Confident | 69.2 | Low | 40 Ų | 40 | 51.7 Ų | 51.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -3.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1485 K1486 | L1485-G1539 WeakPolarHBondContact O-CA 3.16Å; L1485-G1539 PolarHBondContact O-N 2.94Å; K1486-G1539 PolarHBondContact O-N 3.2Å; K1486-G1539 VanDerWaalsContact O-N 3.08Å |
| 1540 | Q | 76.5 | Confident | 68.4 | Low | 30 Ų | 30 | 51.9 Ų | 51.9 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | trans | -72.1 | 139.2 | -177.4 | -173.6 | 173.6 | 7.5 | 0 | 0 | 112.2 | L1485 K1537 A1538 | L1485-Q1540 PolarHBondContact N-O 2.86Å; K1537-Q1540 HydrophobicContact CB-CB 4.23Å; K1537-Q1540 WeakPolarHBondContact O-CB 3.43Å; K1537-Q1540 PolarHBondContact O-N 3.45Å; K1537-Q1540 VanDerWaalsContact O-N 3.16Å; A1538-Q1540 PolarHBondContact O-N 2.83Å | ||
| 1541 | E | 70.5 | Confident | 67 | Low | 73 Ų | 73 | 48.8 Ų | 48.8 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.5 | 166.5 | -172.8 | 172.4 | 161.7 | 0 | 0 | 110.6 | R1482 F1483 I1484 | R1482-E1541 WeakPolarHBondContact CD-OE1 3.31Å; R1482-E1541 HydrophobicContact CG-CG 4.27Å; R1482-E1541 WeakPolarHBondContact CG-OE1 3.17Å; R1482-E1541 IonicContact CZ-OE1 3.86Å; R1482-E1541 IonicContact NE-OE1 3.97Å; R1482-E1541 IonicContact NH1-OE1 2.98Å; R1482-E1541 PolarHBondContact NH1-OE1 2.81Å; F1483-E1541 CarbonylContact O-C 3.54Å; F1483-E1541 VanDerWaalsContact O-CA 3.31Å; F1483-E1541 WeakPolarHBondContact O-CA 3.38Å; I1484-E1541 HydrophobicContact CG1-CB 4.05Å; I1484-E1541 HydrophobicContact CG1-CG 3.87Å |
| 1542 | F | 70.8 | Confident | 66.1 | Low | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158.5 | 173.3 | 69 | -85 | 0 | 0 | 0 | 112.3 | F1483 L1485 F1492 L1536 F1544 V1557 T1559 | F1483-F1542 HydrophobicContact CB-CD1 4.35Å; F1483-F1542 HydrophobicContact CB-CE1 3.88Å; F1483-F1542 HydrophobicContact CB-CE2 4.4Å; F1483-F1542 HydrophobicContact CB-CZ 3.92Å; F1483-F1542 AromaticContact CD2-CE2 4Å; F1483-F1542 HydrophobicContact CD2-CE2 4Å; F1483-F1542 HydrophobicContact CD2-CZ 4.03Å; F1483-F1542 HydrophobicContact CG-CZ 4.39Å; F1483-F1542 PolarHBondContact N-O 2.83Å; F1483-F1542 PolarHBondContact O-N 2.82Å; L1485-F1542 HydrophobicContact CD1-CD1 4.37Å; L1485-F1542 HydrophobicContact CD1-CE1 3.95Å; L1485-F1542 HydrophobicContact CD2-CE1 4.13Å; L1485-F1542 HydrophobicContact CG-CE1 3.91Å; F1492-F1542 HydrophobicContact CD1-CZ 4.28Å; F1492-F1542 HydrophobicContact CD2-CZ 4.08Å; F1492-F1542 HydrophobicContact CE1-CZ 4.11Å; F1492-F1542 AromaticContact CE2-CZ 3.89Å; F1492-F1542 HydrophobicContact CE2-CZ 3.89Å; F1492-F1542 HydrophobicContact CG-CZ 4.26Å; F1492-F1542 HydrophobicContact CZ-CE2 4.45Å; F1492-F1542 AromaticContact CZ-CZ 3.91Å; F1492-F1542 HydrophobicContact CZ-CZ 3.91Å; L1536-F1542 HydrophobicContact CD1-CE1 4.14Å; L1536-F1542 HydrophobicContact CD1-CZ 4.16Å; L1536-F1542 HydrophobicContact CD2-CD1 3.73Å; L1536-F1542 HydrophobicContact CD2-CD2 4.49Å; L1536-F1542 HydrophobicContact CD2-CE1 3.92Å; L1536-F1542 HydrophobicContact CD2-CG 4.04Å; L1536-F1542 HydrophobicContact CD2-CZ 4.38Å; F1542-F1544 HydrophobicContact CD2-CB 4.47Å; F1542-F1544 HydrophobicContact CE2-CB 4.18Å; F1542-F1544 HydrophobicContact CE2-CD2 4.35Å; F1542-V1557 HydrophobicContact CD2-CG1 3.78Å; F1542-V1557 HydrophobicContact CE2-CG1 4.18Å; F1542-T1559 HydrophobicContact CB-CG2 3.9Å |
| 1543 | L | 66.5 | Low | 65.2 | Low | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.3 | 175 | -167.5 | 77.5 | 0 | 0 | 0 | 110 | V1480 A1481 R1482 D1558 | V1480-L1543 HydrophobicContact CG1-CD1 4.13Å; A1481-L1543 WeakPolarHBondContact O-CD1 3.34Å; R1482-L1543 HydrophobicContact CB-CD1 4.07Å; L1543-D1558 HydrophobicContact CB-CB 4.26Å; L1543-D1558 PolarHBondContact N-O 2.87Å; L1543-D1558 PolarHBondContact O-N 2.81Å |
| 1544 | F | 70.6 | Confident | 64.5 | Low | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.6 | 180 | -173.9 | -84.9 | 0 | 0 | 0 | 108.8 | A1481 F1483 L1494 L1506 F1542 L1546 V1555 V1557 | A1481-F1544 PolarHBondContact N-O 2.94Å; A1481-F1544 PolarHBondContact O-N 2.94Å; F1483-F1544 HydrophobicContact CD2-CB 3.9Å; F1483-F1544 HydrophobicContact CE2-CB 3.79Å; F1483-F1544 HydrophobicContact CE2-CD1 4.37Å; F1483-F1544 HydrophobicContact CE2-CG 4.15Å; L1494-F1544 HydrophobicContact CD2-CE1 3.66Å; L1494-F1544 HydrophobicContact CD2-CE2 4.42Å; L1494-F1544 HydrophobicContact CD2-CZ 3.59Å; L1506-F1544 HydrophobicContact CD2-CE2 3.76Å; L1506-F1544 HydrophobicContact CD2-CZ 4Å; F1542-F1544 HydrophobicContact CD2-CB 4.47Å; F1542-F1544 HydrophobicContact CE2-CB 4.18Å; F1542-F1544 HydrophobicContact CE2-CD2 4.35Å; F1544-L1546 HydrophobicContact CE1-CB 4.16Å; F1544-V1555 HydrophobicContact CD2-CG1 4.3Å; F1544-V1555 HydrophobicContact CE2-CG1 3.57Å; F1544-V1555 HydrophobicContact CZ-CG1 3.7Å; F1544-V1555 HydrophobicContact CZ-CG2 4.1Å; F1544-V1557 HydrophobicContact CD2-CG2 3.88Å; F1544-V1557 HydrophobicContact CE2-CG2 4.06Å |
| 1545 | N | 62.8 | Low | 63.8 | Low | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.2 | 179.5 | -52.9 | -39.3 | 0 | 0 | 0 | 109.6 | I1479 V1480 F1547 V1555 Y1556 | I1479-N1545 CarbonylContact O-C 3.58Å; I1479-N1545 VanDerWaalsContact O-CA 3.29Å; I1479-N1545 WeakPolarHBondContact O-CA 3.05Å; V1480-N1545 WeakPolarHBondContact CG1-OD1 3.34Å; N1545-F1547 HydrophobicContact CB-CD2 4.4Å; N1545-F1547 HydrophobicContact CB-CE2 3.72Å; N1545-F1547 HydrophobicContact CB-CZ 4.33Å; N1545-V1555 CarbonylContact O-C 3.56Å; N1545-V1555 WeakPolarHBondContact O-CA 3.2Å; N1545-Y1556 PolarHBondContact N-O 2.84Å; N1545-Y1556 PolarHBondContact O-N 3.16Å |
| 1546 | L | 62.6 | Low | 63.1 | Low | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.1 | 172.5 | 179.8 | 91.1 | 0 | 0 | 0 | 109.2 | G1478 I1479 W1504 F1544 V1548 A1553 T1554 V1555 | G1478-L1546 CarbonylContact C-O 3.48Å; G1478-L1546 WeakPolarHBondContact CA-O 3.31Å; I1479-L1546 HydrophobicContact CB-CB 4.29Å; I1479-L1546 HydrophobicContact CD1-CD2 3.98Å; I1479-L1546 HydrophobicContact CG1-CD2 4.43Å; I1479-L1546 PolarHBondContact N-O 3.01Å; I1479-L1546 PolarHBondContact O-N 3.05Å; W1504-L1546 HydrophobicContact CH2-CD1 4.45Å; W1504-L1546 HydrophobicContact CH2-CD2 3.76Å; W1504-L1546 HydrophobicContact CZ3-CD1 4.34Å; W1504-L1546 HydrophobicContact CZ3-CD2 4.38Å; F1544-L1546 HydrophobicContact CE1-CB 4.16Å; L1546-V1548 HydrophobicContact CD2-CG2 3.87Å; L1546-V1548 HydrophobicContact CG-CG2 4.2Å; L1546-A1553 HydrophobicContact CD1-CB 4.02Å; L1546-T1554 CarbonylContact C-O 3.48Å; L1546-T1554 WeakPolarHBondContact CA-O 3.48Å; L1546-V1555 HydrophobicContact CD1-CG2 3.55Å |
| 1547 | F | 56.6 | Low | 62.3 | Low | 82 Ų | 82 | 45.5 Ų | 45.5 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.8 | 173.9 | -63.5 | -83.5 | 0 | 0 | 0 | 110.1 | N1545 A1553 T1554 Y1556 | N1545-F1547 HydrophobicContact CB-CD2 4.4Å; N1545-F1547 HydrophobicContact CB-CE2 3.72Å; N1545-F1547 HydrophobicContact CB-CZ 4.33Å; F1547-A1553 CarbonylContact O-C 3.5Å; F1547-A1553 WeakPolarHBondContact O-CA 3.25Å; F1547-T1554 PolarHBondContact N-O 2.94Å; F1547-T1554 PolarHBondContact O-N 3.01Å; F1547-Y1556 AromaticContact CD2-CD2 3.93Å; F1547-Y1556 HydrophobicContact CD2-CD2 3.93Å; F1547-Y1556 AromaticContact CD2-CE2 3.99Å; F1547-Y1556 HydrophobicContact CD2-CE2 3.99Å; F1547-Y1556 HydrophobicContact CE2-CD2 4.05Å; F1547-Y1556 HydrophobicContact CE2-CE2 4.27Å |
| 1548 | V | 52.2 | Low | 61.5 | Low | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 118.3 | 174.7 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | V1477 L1546 A1553 L1571 | V1477-V1548 PolarHBondContact O-N 3Å; L1546-V1548 HydrophobicContact CD2-CG2 3.87Å; L1546-V1548 HydrophobicContact CG-CG2 4.2Å; V1548-A1553 HydrophobicContact CB-CB 4.44Å; V1548-A1553 HydrophobicContact CG1-CB 4.27Å; V1548-A1553 HydrophobicContact CG2-CB 3.87Å; V1548-L1571 HydrophobicContact CG1-CB 4.04Å; V1548-L1571 WeakPolarHBondContact CG1-O 3.45Å |
| 1549 | N | 46.6 | Very low | 60.4 | Low | 91 Ų | 91 | 41 Ų | 41 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 132.7 | 177.2 | -168.9 | 28.7 | 0 | 0 | 0 | 110.6 | L1476 G1551 I1552 | L1476-N1549 HydrophobicContact CD1-CB 4.15Å; N1549-G1551 PolarHBondContact O-N 3.1Å; N1549-I1552 PolarHBondContact N-O 3.02Å; N1549-I1552 PolarHBondContact O-N 3.49Å; N1549-I1552 VanDerWaalsContact O-O 3.07Å |
| 1550 | D | 48.2 | Very low | 59.5 | Low | 150 Ų | 150 | 47.7 Ų | 47.7 | 80% | 0.802 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 34.8 | -177.9 | -71.1 | -29 | 0 | 0 | 0 | 116.3 | I1552 | D1550-I1552 VanDerWaalsContact C-N 3.33Š|
| 1551 | G | 46.1 | Very low | 58.1 | Low | 33 Ų | 33 | 51.8 Ų | 51.8 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1549 G1570 | N1549-G1551 PolarHBondContact O-N 3.1Å; G1551-G1570 PolarHBondContact O-N 3.24Å |
| 1552 | I | 49.5 | Very low | 56.7 | Low | 82 Ų | 82 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.6 | 164.4 | -56 | 177.7 | 0 | 0 | 0 | 107.8 | N1549 D1550 E1567 | N1549-I1552 PolarHBondContact N-O 3.02Å; N1549-I1552 PolarHBondContact O-N 3.49Å; N1549-I1552 VanDerWaalsContact O-O 3.07Å; D1550-I1552 VanDerWaalsContact C-N 3.33Å; I1552-E1567 HydrophobicContact CG2-CB 3.86Å; I1552-E1567 HydrophobicContact CG2-CG 3.9Å |
| 1553 | A | 53.2 | Low | 55.8 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1546 F1547 V1548 L1568 L1571 | L1546-A1553 HydrophobicContact CD1-CB 4.02Å; F1547-A1553 CarbonylContact O-C 3.5Å; F1547-A1553 WeakPolarHBondContact O-CA 3.25Å; V1548-A1553 HydrophobicContact CB-CB 4.44Å; V1548-A1553 HydrophobicContact CG1-CB 4.27Å; V1548-A1553 HydrophobicContact CG2-CB 3.87Å; A1553-L1568 HydrophobicContact CB-CB 4.34Å; A1553-L1568 PolarHBondContact N-O 3.25Å; A1553-L1568 PolarHBondContact O-N 3.06Å; A1553-L1571 HydrophobicContact CB-CD1 3.5Å |
| 1554 | T | 58.5 | Low | 55.1 | Low | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.4 | 174.9 | -56 | 0 | 0 | 0 | 0 | 109.9 | L1546 F1547 Y1556 K1565 Y1566 | L1546-T1554 CarbonylContact C-O 3.48Å; L1546-T1554 WeakPolarHBondContact CA-O 3.48Å; F1547-T1554 PolarHBondContact N-O 2.94Å; F1547-T1554 PolarHBondContact O-N 3.01Å; T1554-Y1556 HydrophobicContact CG2-CD2 3.86Å; T1554-Y1556 HydrophobicContact CG2-CE2 3.31Å; T1554-K1565 HydrophobicContact CG2-CD 4.05Å; T1554-K1565 HydrophobicContact CG2-CG 3.47Å; T1554-K1565 VanDerWaalsContact CG2-CG 3.47Å; T1554-Y1566 CarbonylContact C-O 3.57Å; T1554-Y1566 VanDerWaalsContact CA-O 3.27Å; T1554-Y1566 WeakPolarHBondContact CA-O 3.26Å |
| 1555 | V | 60.1 | Low | 54.1 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.8 | 167.6 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | F1544 N1545 L1546 V1557 K1565 Y1566 L1568 | F1544-V1555 HydrophobicContact CD2-CG1 4.3Å; F1544-V1555 HydrophobicContact CE2-CG1 3.57Å; F1544-V1555 HydrophobicContact CZ-CG1 3.7Å; F1544-V1555 HydrophobicContact CZ-CG2 4.1Å; N1545-V1555 CarbonylContact O-C 3.56Å; N1545-V1555 WeakPolarHBondContact O-CA 3.2Å; L1546-V1555 HydrophobicContact CD1-CG2 3.55Å; V1555-V1557 HydrophobicContact CG1-CG2 3.78Å; V1555-K1565 CarbonylContact O-C 3.44Å; V1555-K1565 WeakPolarHBondContact O-CA 3.26Å; V1555-Y1566 PolarHBondContact N-O 2.69Å; V1555-Y1566 PolarHBondContact O-N 3.07Å; V1555-L1568 HydrophobicContact CG2-CD1 3.75Å |
| 1556 | Y | 62.4 | Low | 53.7 | Low | 88 Ų | 88 | 65.1 Ų | 65.1 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.9 | 158.1 | -63.1 | -97.7 | 0 | 0 | 0 | 108.8 | N1545 F1547 T1554 V1564 K1565 | N1545-Y1556 PolarHBondContact N-O 2.84Å; N1545-Y1556 PolarHBondContact O-N 3.16Å; F1547-Y1556 AromaticContact CD2-CD2 3.93Å; F1547-Y1556 HydrophobicContact CD2-CD2 3.93Å; F1547-Y1556 AromaticContact CD2-CE2 3.99Å; F1547-Y1556 HydrophobicContact CD2-CE2 3.99Å; F1547-Y1556 HydrophobicContact CE2-CD2 4.05Å; F1547-Y1556 HydrophobicContact CE2-CE2 4.27Å; T1554-Y1556 HydrophobicContact CG2-CD2 3.86Å; T1554-Y1556 HydrophobicContact CG2-CE2 3.31Å; Y1556-V1564 WeakPolarHBondContact CA-O 3.46Å; Y1556-K1565 HydrophobicContact CD1-CB 4.15Å; Y1556-K1565 HydrophobicContact CD1-CG 4.34Å; Y1556-K1565 HydrophobicContact CE1-CB 3.85Å; Y1556-K1565 HydrophobicContact CE1-CD 4.39Å; Y1556-K1565 HydrophobicContact CE1-CG 3.78Å; Y1556-K1565 HydrophobicContact CE2-CG 4.39Å |
| 1557 | V | 65.4 | Low | 53.1 | Low | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.7 | 167.5 | -169 | 0 | 0 | 0 | 0 | 107.4 | W1515 P1534 F1542 F1544 V1555 T1559 P1563 V1564 | W1515-V1557 HydrophobicContact CH2-CB 4.4Å; W1515-V1557 HydrophobicContact CH2-CG1 3.93Å; W1515-V1557 HydrophobicContact CH2-CG2 3.86Å; W1515-V1557 HydrophobicContact CZ3-CG2 3.77Å; P1534-V1557 HydrophobicContact CG-CB 4.01Å; P1534-V1557 HydrophobicContact CG-CG1 3.75Å; F1542-V1557 HydrophobicContact CD2-CG1 3.78Å; F1542-V1557 HydrophobicContact CE2-CG1 4.18Å; F1544-V1557 HydrophobicContact CD2-CG2 3.88Å; F1544-V1557 HydrophobicContact CE2-CG2 4.06Å; V1555-V1557 HydrophobicContact CG1-CG2 3.78Å; V1557-T1559 HydrophobicContact CG1-CG2 4.32Å; V1557-P1563 VanDerWaalsContact O-CA 3.31Å; V1557-P1563 WeakPolarHBondContact O-CA 3.47Å; V1557-V1564 PolarHBondContact N-O 3.38Å; V1557-V1564 PolarHBondContact O-N 2.94Å; V1557-V1564 VanDerWaalsContact O-N 3.16Å |
| 1558 | D | 62.5 | Low | 52.8 | Low | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 98 | 174.4 | 177.6 | 18.4 | 0 | 0 | 0 | 108.4 | L1543 P1563 | L1543-D1558 HydrophobicContact CB-CB 4.26Å; L1543-D1558 PolarHBondContact N-O 2.87Å; L1543-D1558 PolarHBondContact O-N 2.81Å; D1558-P1563 HydrophobicContact CB-CB 4.46Å |
| 1559 | T | 55.2 | Low | 52.6 | Low | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 150 | 157.9 | 67.7 | 0 | 0 | 0 | 0 | 107.2 | P1534 L1536 F1542 V1557 E1561 M1562 | P1534-T1559 HydrophobicContact CB-CG2 3.94Å; P1534-T1559 HydrophobicContact CG-CG2 3.9Å; L1536-T1559 HydrophobicContact CD2-CG2 3.85Å; F1542-T1559 HydrophobicContact CB-CG2 3.9Å; V1557-T1559 HydrophobicContact CG1-CG2 4.32Å; T1559-E1561 PolarHBondContact O-N 2.7Å; T1559-M1562 PolarHBondContact O-N 2.81Å |
| 1560 | H | 52.3 | Low | 52.6 | Low | 181 Ų | 181 | 69.6 Ų | 69.6 | 84% | 0.838 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 5.6 | 178.1 | -62.2 | -35.3 | 0 | 0 | 0 | 115.8 | ||
| 1561 | E | 47.6 | Very low | 52.5 | Low | 115 Ų | 115 | 63.4 Ų | 63.4 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -33.6 | 174.9 | -66.8 | 174.7 | -161.6 | 0 | 0 | 112.4 | K1537 T1559 | K1537-E1561 IonicContact NZ-OE1 2.88Å; K1537-E1561 PolarHBondContact NZ-OE1 2.84Å; K1537-E1561 IonicContact NZ-OE2 2.69Å; T1559-E1561 PolarHBondContact O-N 2.7Å |
| 1562 | M | 41.3 | Very low | 52.6 | Low | 140 Ų | 140 | 66 Ų | 66 | 69% | 0.69 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 145.8 | 167 | -114.6 | 179.5 | -179.3 | 0 | 0 | 113 | T1559 | T1559-M1562 PolarHBondContact O-N 2.81Å |
| 1563 | P | 50.6 | Low | 52.3 | Low | 89 Ų | 89 | 63.6 Ų | 63.6 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.2 | 168 | 32.9 | -33.6 | 0 | 0 | 0 | 112.5 | V1557 D1558 | V1557-P1563 VanDerWaalsContact O-CA 3.31Å; V1557-P1563 WeakPolarHBondContact O-CA 3.47Å; D1558-P1563 HydrophobicContact CB-CB 4.46Å |
| 1564 | V | 51.8 | Low | 51.8 | Low | 42 Ų | 42 | 68.3 Ų | 68.3 | 26% | 0.255 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.9 | 179.2 | -163 | 0 | 0 | 0 | 0 | 111.7 | Y1556 V1557 Y1566 | Y1556-V1564 WeakPolarHBondContact CA-O 3.46Å; V1557-V1564 PolarHBondContact N-O 3.38Å; V1557-V1564 PolarHBondContact O-N 2.94Å; V1557-V1564 VanDerWaalsContact O-N 3.16Å; V1564-Y1566 HydrophobicContact CB-CE2 4.25Å; V1564-Y1566 HydrophobicContact CG1-CD2 4.06Å; V1564-Y1566 HydrophobicContact CG1-CE2 3.38Å |
| 1565 | K | 50.6 | Low | 51.3 | Low | 102 Ų | 102 | 74.1 Ų | 74.1 | 44% | 0.443 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.6 | -179.8 | -171 | -159.5 | -174.7 | -159.9 | 0 | 111.7 | T1554 V1555 Y1556 E1567 | T1554-K1565 HydrophobicContact CG2-CD 4.05Å; T1554-K1565 HydrophobicContact CG2-CG 3.47Å; T1554-K1565 VanDerWaalsContact CG2-CG 3.47Å; V1555-K1565 CarbonylContact O-C 3.44Å; V1555-K1565 WeakPolarHBondContact O-CA 3.26Å; Y1556-K1565 HydrophobicContact CD1-CB 4.15Å; Y1556-K1565 HydrophobicContact CD1-CG 4.34Å; Y1556-K1565 HydrophobicContact CE1-CB 3.85Å; Y1556-K1565 HydrophobicContact CE1-CD 4.39Å; Y1556-K1565 HydrophobicContact CE1-CG 3.78Å; Y1556-K1565 HydrophobicContact CE2-CG 4.39Å; K1565-E1567 WeakPolarHBondContact CE-OE1 3.48Å; K1565-E1567 IonicContact NZ-OE1 2.65Å; K1565-E1567 PolarHBondContact NZ-OE1 2.69Å |
| 1566 | Y | 53.8 | Low | 50.8 | Low | 63 Ų | 63 | 76.5 Ų | 76.5 | 25% | 0.247 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.3 | 172.5 | -76.8 | -70.9 | 0 | 0 | 0 | 113.1 | F1531 E1532 T1554 V1555 V1564 | F1531-Y1566 HydrophobicContact CB-CD1 4.23Å; F1531-Y1566 HydrophobicContact CB-CE1 3.82Å; F1531-Y1566 HydrophobicContact CD2-CD1 4.04Å; F1531-Y1566 AromaticContact CD2-CD2 3.52Å; F1531-Y1566 HydrophobicContact CD2-CD2 3.52Å; F1531-Y1566 AromaticContact CD2-CE1 3.9Å; F1531-Y1566 HydrophobicContact CD2-CE1 3.9Å; F1531-Y1566 AromaticContact CD2-CE2 3.33Å; F1531-Y1566 HydrophobicContact CD2-CE2 3.33Å; F1531-Y1566 AromaticContact CD2-CG 3.88Å; F1531-Y1566 HydrophobicContact CD2-CG 3.88Å; F1531-Y1566 AromaticContact CD2-CZ 3.55Å; F1531-Y1566 AromaticContact CE2-CD2 3.54Å; F1531-Y1566 HydrophobicContact CE2-CD2 3.54Å; F1531-Y1566 AromaticContact CE2-CE2 3.72Å; F1531-Y1566 HydrophobicContact CE2-CE2 3.72Å; F1531-Y1566 HydrophobicContact CE2-CG 4.06Å; F1531-Y1566 HydrophobicContact CG-CD1 4.28Å; F1531-Y1566 HydrophobicContact CG-CD2 4.48Å; F1531-Y1566 HydrophobicContact CG-CE1 4.19Å; F1531-Y1566 HydrophobicContact CG-CE2 4.37Å; F1531-Y1566 HydrophobicContact CG-CG 4.44Å; E1532-Y1566 VanDerWaalsContact C-OH 3.23Å; E1532-Y1566 PolarHBondContact N-OH 2.74Å; E1532-Y1566 PolarHBondContact O-OH 3.01Å; T1554-Y1566 CarbonylContact C-O 3.57Å; T1554-Y1566 VanDerWaalsContact CA-O 3.27Å; T1554-Y1566 WeakPolarHBondContact CA-O 3.26Å; V1555-Y1566 PolarHBondContact N-O 2.69Å; V1555-Y1566 PolarHBondContact O-N 3.07Å; V1564-Y1566 HydrophobicContact CB-CE2 4.25Å; V1564-Y1566 HydrophobicContact CG1-CD2 4.06Å; V1564-Y1566 HydrophobicContact CG1-CE2 3.38Å |
| 1567 | E | 50 | Low | 50.7 | Low | 109 Ų | 109 | 75.6 Ų | 75.6 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.1 | 179.9 | -72.7 | 171.3 | -158 | 0 | 0 | 111.8 | I1552 K1565 | I1552-E1567 HydrophobicContact CG2-CB 3.86Å; I1552-E1567 HydrophobicContact CG2-CG 3.9Å; K1565-E1567 WeakPolarHBondContact CE-OE1 3.48Å; K1565-E1567 IonicContact NZ-OE1 2.65Å; K1565-E1567 PolarHBondContact NZ-OE1 2.69Å |
| 1568 | L | 51.1 | Low | 50.7 | Low | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.8 | -173 | -59.6 | 170 | 0 | 0 | 0 | 110.8 | F1517 A1553 V1555 | F1517-L1568 HydrophobicContact CB-CD2 4.47Å; F1517-L1568 HydrophobicContact CD1-CD2 3.95Å; F1517-L1568 HydrophobicContact CD2-CD1 3.94Å; F1517-L1568 HydrophobicContact CD2-CD2 4.1Å; F1517-L1568 HydrophobicContact CE1-CD2 4.14Å; F1517-L1568 HydrophobicContact CE2-CD1 3.66Å; F1517-L1568 HydrophobicContact CE2-CD2 4.29Å; F1517-L1568 HydrophobicContact CE2-CG 4.48Å; F1517-L1568 HydrophobicContact CG-CD2 3.92Å; F1517-L1568 HydrophobicContact CZ-CB 4.44Å; F1517-L1568 HydrophobicContact CZ-CD1 4.08Å; F1517-L1568 HydrophobicContact CZ-CD2 4.31Å; A1553-L1568 HydrophobicContact CB-CB 4.34Å; A1553-L1568 PolarHBondContact N-O 3.25Å; A1553-L1568 PolarHBondContact O-N 3.06Å; V1555-L1568 HydrophobicContact CG2-CD1 3.75Å |
| 1569 | P | 47.9 | Very low | 50.9 | Low | 104 Ų | 104 | 78 Ų | 78 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141.3 | -171.8 | 32.7 | -35.4 | 0 | 0 | 0 | 115.4 | ||
| 1570 | G | 46.7 | Very low | 51.5 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | trans | 75.4 | 74.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | G1551 | G1551-G1570 PolarHBondContact O-N 3.24Š| ||
| 1571 | L | 45.4 | Very low | 51.9 | Low | 21 Ų | 21 | 72.2 Ų | 72.2 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | trans | -139.1 | 135.5 | -168.9 | -68.9 | 170.9 | 0 | 0 | 0 | 115.6 | T1498 W1504 V1548 A1553 | T1498-L1571 HydrophobicContact CG2-CD2 3.76Å; W1504-L1571 HydrophobicContact CD2-CD1 4.14Å; W1504-L1571 HydrophobicContact CD2-CD2 3.71Å; W1504-L1571 HydrophobicContact CE3-CD1 3.92Å; W1504-L1571 HydrophobicContact CE3-CD2 4.36Å; W1504-L1571 HydrophobicContact CG-CD2 4.07Å; W1504-L1571 HydrophobicContact CH2-CD1 3.34Å; W1504-L1571 HydrophobicContact CH2-CD2 4.18Å; W1504-L1571 HydrophobicContact CH2-CG 4.23Å; W1504-L1571 HydrophobicContact CZ2-CB 4.3Å; W1504-L1571 HydrophobicContact CZ2-CD1 3.59Å; W1504-L1571 HydrophobicContact CZ2-CD2 3.52Å; W1504-L1571 HydrophobicContact CZ2-CG 3.98Å; W1504-L1571 HydrophobicContact CZ3-CD1 3.52Å; V1548-L1571 HydrophobicContact CG1-CB 4.04Å; V1548-L1571 WeakPolarHBondContact CG1-O 3.45Å; A1553-L1571 HydrophobicContact CB-CD1 3.5Å | ||
| 1572 | T | 48.7 | Very low | 52 | Low | 87 Ų | 87 | 69.5 Ų | 69.5 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | trans | -135.4 | 134.4 | 151.5 | 60 | 0 | 0 | 0 | 0 | 107.5 | T1498 D1499 | T1498-T1572 WeakPolarHBondContact CA-O 3.23Å; T1498-T1572 WeakPolarHBondContact CB-O 3.15Å; T1498-T1572 VanDerWaalsContact CG2-O 3.27Å; T1498-T1572 WeakPolarHBondContact CG2-O 3.1Å; D1499-T1572 PolarHBondContact N-O 2.84Å; D1499-T1572 WeakPolarHBondContact OD2-CB 3.1Å; D1499-T1572 PolarHBondContact OD2-OG1 3.34Å | ||
| 1573 | A | 43.6 | Very low | 51.9 | Low | 31 Ų | 31 | 69.3 Ų | 69.3 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.9 | -161.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1496 W1504 F1576 | L1496-A1573 HydrophobicContact CD2-CB 3.69Å; W1504-A1573 HydrophobicContact CZ2-CB 4.35Å; A1573-F1576 HydrophobicContact CB-CE1 4.06Å; A1573-F1576 HydrophobicContact CB-CE2 4.28Å; A1573-F1576 HydrophobicContact CB-CZ 3.49Å; A1573-F1576 VanDerWaalsContact CB-CZ 3.49Å |
| 1574 | K | 43.2 | Very low | 51.2 | Low | 100 Ų | 100 | 72.1 Ų | 72.1 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -34 | -174.4 | -177.5 | -166.4 | -179.4 | -161.4 | 0 | 112.6 | E1497 T1498 N1501 | E1497-K1574 WeakPolarHBondContact O-CB 3.41Å; E1497-K1574 PolarHBondContact O-N 3.17Å; E1497-K1574 IonicContact OE1-NZ 2.61Å; E1497-K1574 PolarHBondContact OE1-NZ 3.37Å; T1498-K1574 WeakPolarHBondContact O-CD 3.4Å; N1501-K1574 PolarHBondContact OD1-NZ 3.24Å |
| 1575 | R | 46.2 | Very low | 50.1 | Low | 143 Ų | 143 | 71.5 Ų | 71.5 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 149.7 | -176.3 | -162.8 | -177.6 | 179.6 | -178.5 | 0.4 | 112.7 | L1496 E1497 | L1496-R1575 WeakPolarHBondContact CA-O 3.25Å; L1496-R1575 WeakPolarHBondContact CD2-O 3.3Å; E1497-R1575 HydrophobicContact CB-CB 3.74Å; E1497-R1575 PolarHBondContact N-O 2.96Å; E1497-R1575 PolarHBondContact O-N 2.72Å; E1497-R1575 VanDerWaalsContact OE2-CD 3.31Å; E1497-R1575 WeakPolarHBondContact OE2-CD 3.47Å; E1497-R1575 IonicContact OE2-NH1 3.93Å |
| 1576 | F | 50 | Low | 49.1 | Very low | 53 Ų | 53 | 74.6 Ų | 74.6 | 23% | 0.232 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.4 | -180 | -54.7 | -93.2 | 0 | 0 | 0 | 110.3 | I1479 L1496 A1573 M1589 | I1479-F1576 HydrophobicContact CD1-CD1 4.13Å; I1479-F1576 HydrophobicContact CD1-CE1 3.12Å; I1479-F1576 HydrophobicContact CD1-CE2 4.37Å; I1479-F1576 HydrophobicContact CD1-CZ 3.28Å; L1496-F1576 HydrophobicContact CD1-CD1 3.63Å; L1496-F1576 HydrophobicContact CD1-CE1 3.76Å; L1496-F1576 HydrophobicContact CD2-CD1 3.43Å; L1496-F1576 VanDerWaalsContact CD2-CD1 3.43Å; L1496-F1576 HydrophobicContact CD2-CE1 3.2Å; L1496-F1576 HydrophobicContact CD2-CG 4.22Å; L1496-F1576 HydrophobicContact CD2-CZ 3.87Å; L1496-F1576 HydrophobicContact CG-CD1 3.45Å; L1496-F1576 VanDerWaalsContact CG-CD1 3.45Å; L1496-F1576 HydrophobicContact CG-CE1 3.71Å; L1496-F1576 HydrophobicContact CG-CG 4.32Å; A1573-F1576 HydrophobicContact CB-CE1 4.06Å; A1573-F1576 HydrophobicContact CB-CE2 4.28Å; A1573-F1576 HydrophobicContact CB-CZ 3.49Å; A1573-F1576 VanDerWaalsContact CB-CZ 3.49Å; F1576-M1589 HydrophobicContact CB-CE 4.12Å; F1576-M1589 HydrophobicContact CD1-CE 4.04Å; F1576-M1589 HydrophobicContact CD2-CE 3.87Å; F1576-M1589 HydrophobicContact CD2-SD 4.43Å; F1576-M1589 HydrophobicContact CE2-CE 4.35Å; F1576-M1589 HydrophobicContact CG-CE 3.73Å |
| 1577 | I | 61.5 | Low | 47.8 | Very low | 68 Ų | 68 | 76 Ų | 76 | 35% | 0.349 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.6 | 172 | -52.1 | 176.7 | 0 | 0 | 0 | 107.7 | Y1495 | Y1495-I1577 HydrophobicContact CD1-CD1 4.45Å; Y1495-I1577 PolarHBondContact N-O 3.25Å; Y1495-I1577 PolarHBondContact O-N 2.87Å; Y1495-I1577 VanDerWaalsContact O-O 3.06Å |
| 1578 | V | 65.3 | Low | 46.8 | Very low | 43 Ų | 43 | 79.7 Ų | 79.7 | 26% | 0.261 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.6 | -178.8 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | F1483 F1492 Q1493 L1494 V1581 | F1483-V1578 HydrophobicContact CD1-CG1 4.28Å; F1483-V1578 HydrophobicContact CE1-CB 4.34Å; F1483-V1578 HydrophobicContact CE1-CG1 3.94Å; F1483-V1578 HydrophobicContact CE1-CG2 3.9Å; F1483-V1578 HydrophobicContact CZ-CG1 4.31Å; F1483-V1578 HydrophobicContact CZ-CG2 3.99Å; F1492-V1578 HydrophobicContact CD2-CG1 4.29Å; F1492-V1578 HydrophobicContact CE2-CG1 3.48Å; F1492-V1578 VanDerWaalsContact CE2-CG1 3.48Å; F1492-V1578 HydrophobicContact CZ-CG1 4.08Å; Q1493-V1578 WeakPolarHBondContact O-CA 3.4Å; L1494-V1578 HydrophobicContact CD1-CG2 3.81Å; V1578-V1581 HydrophobicContact CB-CG2 4.3Å; V1578-V1581 HydrophobicContact CG1-CG1 4.1Å; V1578-V1581 HydrophobicContact CG1-CG2 3.91Å |
| 1579 | D | 66.9 | Low | 45.7 | Very low | 77 Ų | 77 | 82.1 Ų | 82.1 | 41% | 0.412 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 160.1 | 179.6 | -72.3 | -42.8 | 0 | 0 | 0 | 112.3 | Q1493 V1581 | Q1493-D1579 HydrophobicContact CB-CB 4.32Å; Q1493-D1579 PolarHBondContact O-N 3.29Å; D1579-V1581 PolarHBondContact O-N 3.43Å |
| 1580 | D | 67.9 | Low | 44.8 | Very low | 37 Ų | 37 | 86.5 Ų | 86.5 | 20% | 0.198 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 58.6 | 22.7 | 174.8 | -66.2 | -31.2 | 0 | 0 | 0 | 116.9 | K1486 A1489 K1491 | K1486-D1580 PolarHBondContact N-O 3.46Å; K1486-D1580 IonicContact NZ-OD1 2.78Å; K1486-D1580 PolarHBondContact NZ-OD1 3.3Å; A1489-D1580 HydrophobicContact CB-CB 4.18Å; K1491-D1580 WeakPolarHBondContact CE-OD2 3.47Å; K1491-D1580 WeakPolarHBondContact CG-OD2 3.33Å; K1491-D1580 IonicContact NZ-OD2 2.64Å; K1491-D1580 VanDerWaalsContact O-CB 3.29Å; K1491-D1580 WeakPolarHBondContact O-CB 3.3Å |
| 1581 | V | 60.7 | Low | 43.8 | Very low | 22 Ų | 22 | 89.2 Ų | 89.2 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | B | Isolated β-bridge | trans | -98.2 | 153 | 164.4 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | F1483 I1484 L1485 F1492 V1578 D1579 N1583 | F1483-V1581 HydrophobicContact CB-CG1 4.03Å; F1483-V1581 HydrophobicContact CD1-CG1 4.09Å; F1483-V1581 HydrophobicContact CG-CG1 4.32Å; I1484-V1581 CarbonylContact O-C 3.54Å; I1484-V1581 VanDerWaalsContact O-CA 3.23Å; I1484-V1581 WeakPolarHBondContact O-CA 3.19Å; I1484-V1581 VanDerWaalsContact O-CB 3.3Å; I1484-V1581 WeakPolarHBondContact O-CB 3.36Å; L1485-V1581 HydrophobicContact CD2-CG1 4.18Å; F1492-V1581 HydrophobicContact CD2-CG1 4.16Å; F1492-V1581 HydrophobicContact CE2-CG1 4.07Å; V1578-V1581 HydrophobicContact CB-CG2 4.3Å; V1578-V1581 HydrophobicContact CG1-CG1 4.1Å; V1578-V1581 HydrophobicContact CG1-CG2 3.91Å; D1579-V1581 PolarHBondContact O-N 3.43Å; V1581-N1583 PolarHBondContact O-N 2.87Å |
| 1582 | T | 48.8 | Very low | 42.9 | Very low | 58 Ų | 58 | 94.7 Ų | 94.7 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -83.3 | 108.9 | 179.5 | -3.3 | 0 | 0 | 0 | 0 | 111.2 | I1484 L1485 K1486 | I1484-T1582 PolarHBondContact O-N 3.23Å; I1484-T1582 PolarHBondContact O-OG1 2.84Å; L1485-T1582 PolarHBondContact O-OG1 2.92Å; K1486-T1582 HydrophobicContact CG-CG2 4.27Å |
| 1583 | N | 40.3 | Very low | 41.7 | Very low | 136 Ų | 136 | 94.2 Ų | 94.2 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 45.4 | 78.1 | 161 | -162.9 | 20.4 | 0 | 0 | 0 | 116.6 | V1581 S1585 | V1581-N1583 PolarHBondContact O-N 2.87Å; N1583-S1585 PolarHBondContact O-N 2.67Å |
| 1584 | N | 34.2 | Very low | 40.7 | Very low | 149 Ų | 149 | 100.8 Ų | 100.8 | 80% | 0.797 | 50% | 0.496 | S | S | * | . | trans | 40.1 | 59.1 | 165.6 | -72.3 | -8.4 | 0 | 0 | 0 | 115 | Y1586 | N1584-Y1586 PolarHBondContact O-N 2.8Š| ||
| 1585 | S | 30.1 | Very low | 39.6 | Very low | 28 Ų | 28 | 104.6 Ų | 104.6 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | trans | -45.6 | 137.3 | 168.9 | -39.4 | 0 | 0 | 0 | 0 | 110.3 | R1482 N1583 S1587 | R1482-S1585 VanDerWaalsContact O-CB 3.22Å; R1482-S1585 WeakPolarHBondContact O-CB 3.17Å; N1583-S1585 PolarHBondContact O-N 2.67Å; S1585-S1587 VanDerWaalsContact C-N 3.33Å; S1585-S1587 PolarHBondContact O-N 3.42Å | ||
| 1586 | Y | 28.4 | Very low | 38.3 | Very low | 167 Ų | 167 | 102.6 Ų | 102.6 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | trans | -52.2 | 86.9 | -168.2 | -92.3 | -102.9 | 0 | 0 | 0 | 113.8 | S1297 N1584 K1588 | S1297-Y1586 VanDerWaalsContact CB-OH 3.27Å; S1297-Y1586 WeakPolarHBondContact CB-OH 3.12Å; S1297-Y1586 PolarHBondContact OG-OH 2.94Å; S1297-Y1586 VanDerWaalsContact OG-OH 3.09Å; N1584-Y1586 PolarHBondContact O-N 2.8Å; Y1586-K1588 PolarHBondContact O-N 3.2Å | ||
| 1587 | S | 27.6 | Very low | 36.9 | Very low | 93 Ų | 93 | 105.9 Ų | 105.9 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | trans | -77.1 | 63.8 | 167.6 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | S1585 M1589 | S1585-S1587 VanDerWaalsContact C-N 3.33Å; S1585-S1587 PolarHBondContact O-N 3.42Å; S1587-M1589 PolarHBondContact O-N 3.01Å | ||
| 1588 | K | 29.4 | Very low | 35 | Very low | 187 Ų | 187 | 107.1 Ų | 107.1 | 81% | 0.813 | 57% | 0.567 | S | S | * | * | trans | -70.8 | 56.6 | 150.5 | -158.3 | 179.5 | -170.2 | 178.6 | 0 | 108.4 | Y1586 R1590 | Y1586-K1588 PolarHBondContact O-N 3.2Å; K1588-R1590 PolarHBondContact O-N 3.48Å | ||
| 1589 | M | 28.1 | Very low | 32.9 | Very low | 66 Ų | 66 | 115.8 Ų | 115.8 | 33% | 0.325 | 60% | 0.601 | S | S | . | * | trans | -50.1 | 114.7 | 164.7 | -83.7 | 176.6 | 162 | 0 | 0 | 106.1 | I1479 F1576 S1587 L1591 | I1479-M1589 HydrophobicContact CG2-CE 3.98Å; I1479-M1589 HydrophobicContact CG2-CG 4.42Å; F1576-M1589 HydrophobicContact CB-CE 4.12Å; F1576-M1589 HydrophobicContact CD1-CE 4.04Å; F1576-M1589 HydrophobicContact CD2-CE 3.87Å; F1576-M1589 HydrophobicContact CD2-SD 4.43Å; F1576-M1589 HydrophobicContact CE2-CE 4.35Å; F1576-M1589 HydrophobicContact CG-CE 3.73Å; S1587-M1589 PolarHBondContact O-N 3.01Å; M1589-L1591 HydrophobicContact CB-CD1 3.93Å; M1589-L1591 HydrophobicContact CG-CD1 4.45Å; M1589-L1591 PolarHBondContact O-N 3.03Å; M1589-L1591 HydrophobicContact SD-CD1 4.04Å | ||
| 1590 | R | 27.5 | Very low | 30.7 | Very low | 195 Ų | 195 | 120.6 Ų | 120.6 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | trans | -70.5 | 74 | 157.4 | -84.4 | -175.9 | 166.1 | 167.4 | -5.8 | 107.4 | K1588 E1592 | K1588-R1590 PolarHBondContact O-N 3.48Å; R1590-E1592 HydrophobicContact CB-CG 4.05Å; R1590-E1592 PolarHBondContact O-N 3.48Å | ||
| 1591 | L | 26.6 | Very low | 28.5 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 59% | 0.586 | 65% | 0.649 | S | S | * | * | trans | -65.6 | 91.2 | 146.8 | -100.5 | 74.4 | 0 | 0 | 0 | 105.2 | M1589 | M1589-L1591 HydrophobicContact CB-CD1 3.93Å; M1589-L1591 HydrophobicContact CG-CD1 4.45Å; M1589-L1591 PolarHBondContact O-N 3.03Å; M1589-L1591 HydrophobicContact SD-CD1 4.04Å | ||
| 1592 | E | 25.3 | Very low | 26.6 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 64% | 0.64 | 68% | 0.682 | S | S | * | * | trans | -69.3 | 132.5 | 167.1 | -57 | -163.8 | 159.3 | 0 | 0 | 107.3 | R1590 | R1590-E1592 HydrophobicContact CB-CG 4.05Å; R1590-E1592 PolarHBondContact O-N 3.48Å | ||
| 1593 | S | 24.1 | Very low | 25.2 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 54% | 0.538 | 70% | 0.701 | S | S | . | * | S | Bend | trans | 85.6 | 124.7 | -170.9 | 81.5 | 0 | 0 | 0 | 0 | 119 | ||
| 1594 | M | 22.1 | Very low | 24.3 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 83% | 0.828 | 70% | 0.7 | S | S | * | * | trans | 55.8 | 85.6 | 145.8 | -59.1 | -169.2 | -178.8 | 0 | 0 | 121.2 | T1596 | M1594-T1596 PolarHBondContact O-N 3.31Š| ||
| 1595 | I | 19.8 | Very low | 23.6 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 92% | 0.923 | 70% | 0.697 | S | S | * | * | trans | -81.3 | 93.5 | 149.4 | -56.7 | 173.7 | 0 | 0 | 0 | 108.9 | ||||
| 1596 | T | 20.2 | Very low | 23.2 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -143.5 | 104.1 | 174.3 | 45 | 0 | 0 | 0 | 0 | 113 | M1594 | M1594-T1596 PolarHBondContact O-N 3.31Š| ||
| 1597 | S | 20.9 | Very low | 22.8 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 66.2 | 156.4 | 176.4 | 94.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1598 | S | 21.1 | Very low | 22.5 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -140.6 | 128.2 | -2.2 | -71.6 | 0 | 0 | 0 | 0 | 109.9 | Q1600 | S1598-Q1600 VanDerWaalsContact C-N 3.34Å; S1598-Q1600 PolarHBondContact O-N 3.39Å | ||
| 1599 | K | 21 | Very low | 22 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 98% | 0.978 | 75% | 0.747 | S | S | * | * | trans | -89 | 75 | 163.7 | -87.1 | -166.8 | 173.8 | -176.6 | 0 | 110 | ||||
| 1600 | Q | 20.8 | Very low | 21.7 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -83.1 | 151.6 | 164 | -130.6 | 172.8 | -1.1 | 0 | 0 | 109.6 | S1598 L1602 | S1598-Q1600 VanDerWaalsContact C-N 3.34Å; S1598-Q1600 PolarHBondContact O-N 3.39Å; Q1600-L1602 PolarHBondContact O-N 2.88Å | ||
| 1601 | I | 21.1 | Very low | 21.4 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 107.3 | -171.3 | -60.4 | 167.6 | 0 | 0 | 0 | 109 | R1603 | I1601-R1603 HydrophobicContact CG2-CG 4.37Å; I1601-R1603 PolarHBondContact O-N 2.55Å | ||
| 1602 | L | 21.5 | Very low | 21 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 104.2 | 161 | -84 | 165.2 | 0 | 0 | 0 | 108.7 | Q1600 | Q1600-L1602 PolarHBondContact O-N 2.88Š| ||
| 1603 | R | 18.4 | Very low | 20.9 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 75% | 0.751 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 129.6 | 149.7 | -69.6 | -180 | 176.3 | 177.2 | -2.6 | 106.7 | I1601 | I1601-R1603 HydrophobicContact CG2-CG 4.37Å; I1601-R1603 PolarHBondContact O-N 2.55Å | ||
| 1604 | N | 22 | Very low | 20.8 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 111.1 | 156.4 | -79.5 | 22.3 | 0 | 0 | 0 | 106.5 | E1606 | N1604-E1606 PolarHBondContact O-N 3.03Š| ||
| 1605 | D | 19.2 | Very low | 20.8 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -84.3 | 97.2 | 166.2 | -64.3 | -50.7 | 0 | 0 | 0 | 107.5 | ||||
| 1606 | E | 22.7 | Very low | 20.8 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -104 | 122.5 | 167.3 | -75.3 | -173 | 158.7 | 0 | 0 | 109.3 | N1604 | N1604-E1606 PolarHBondContact O-N 3.03Š| ||
| 1607 | Q | 18.7 | Very low | 20.8 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -87 | 128.1 | -178.3 | -61.9 | 174.3 | -62.8 | 0 | 0 | 110.6 | ||||
| 1608 | S | 21.2 | Very low | 20.8 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -138.8 | 113.7 | 156.2 | 58.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1609 | T | 19.7 | Very low | 20.9 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -90.1 | 107.3 | -180 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1610 | T | 21.7 | Very low | 21 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 145.3 | 161.6 | 39 | 0 | 0 | 0 | 0 | 111 | ||||
| 1611 | T | 21.2 | Very low | 21.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 166 | -165.9 | -30.9 | 0 | 0 | 0 | 0 | 114.4 | E1613 | T1611-E1613 PolarHBondContact O-N 3.04Š| ||
| 1612 | E | 19.1 | Very low | 21.4 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -53 | 117.6 | -177.7 | -58.5 | 167.5 | 109.9 | 0 | 0 | 115 | ||||
| 1613 | E | 22 | Very low | 21.8 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -131 | 131.1 | 142.4 | -81.5 | -154.3 | 143.7 | 0 | 0 | 110.3 | T1611 S1615 | T1611-E1613 PolarHBondContact O-N 3.04Å; E1613-S1615 PolarHBondContact O-N 3.35Å | ||
| 1614 | A | 22.2 | Very low | 22.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 95% | 0.95 | 77% | 0.766 | S | S | * | * | trans | -85.6 | 75.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1615 | S | 21.6 | Very low | 24 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -112.6 | 56.4 | 172 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | E1613 G1617 | E1613-S1615 PolarHBondContact O-N 3.35Å; S1615-G1617 PolarHBondContact O-N 2.7Å | ||
| 1616 | G | 20 | Very low | 25.8 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 75% | 0.745 | S | S | * | * | trans | -61.3 | 90.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1618 | G1616-S1618 PolarHBondContact O-N 2.95Š| ||
| 1617 | G | 20.7 | Very low | 27.6 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -54.1 | 109.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1615 L1619 | S1615-G1617 PolarHBondContact O-N 2.7Å; G1617-L1619 PolarHBondContact O-N 2.83Å | ||
| 1618 | S | 21.6 | Very low | 29.8 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | trans | -64.2 | 121.4 | -173.1 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | G1616 S1620 | G1616-S1618 PolarHBondContact O-N 2.95Å; S1618-S1620 PolarHBondContact O-N 2.82Å | ||
| 1619 | L | 21.7 | Very low | 31.9 | Very low | 155 Ų | 155 | 110.1 Ų | 110.1 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | trans | -46.7 | 138.7 | 150.5 | -80.6 | 96.2 | 0 | 0 | 0 | 107.7 | G1617 R1621 | G1617-L1619 PolarHBondContact O-N 2.83Å; L1619-R1621 PolarHBondContact O-N 2.94Å | ||
| 1620 | S | 23.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 84% | 0.839 | 64% | 0.64 | S | S | * | * | trans | -56.4 | 102.3 | 176.3 | 37.1 | 0 | 0 | 0 | 0 | 108.9 | S1618 | S1618-S1620 PolarHBondContact O-N 2.82Š| ||
| 1621 | R | 23.5 | Very low | 36.4 | Very low | 184 Ų | 184 | 100.5 Ų | 100.5 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | trans | -57.1 | 132 | -173.8 | -77.9 | 176.6 | 166.8 | 159.8 | -4.7 | 108.2 | L1619 N1623 | L1619-R1621 PolarHBondContact O-N 2.94Å; R1621-N1623 PolarHBondContact O-N 2.82Å | ||
| 1622 | P | 27 | Very low | 38.5 | Very low | 97 Ų | 97 | 98.5 Ų | 98.5 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | trans | -54.8 | 133.7 | 172.4 | 25.7 | -34 | 0 | 0 | 0 | 107.5 | T1624 | P1622-T1624 VanDerWaalsContact C-N 3.34Å; P1622-T1624 WeakPolarHBondContact O-CG2 3.27Å; P1622-T1624 PolarHBondContact O-N 2.79Å | ||
| 1623 | N | 31.1 | Very low | 40.6 | Very low | 137 Ų | 137 | 91.7 Ų | 91.7 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | trans | -56.2 | 92.4 | -166.9 | -101.8 | -17.7 | 0 | 0 | 0 | 111.9 | R1621 Q1625 | R1621-N1623 PolarHBondContact O-N 2.82Å; N1623-Q1625 PolarHBondContact O-N 2.8Å | ||
| 1624 | T | 36.8 | Very low | 42.3 | Very low | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.319 | 56% | 0.562 | S | S | . | * | trans | -75.8 | 77.9 | 176.7 | 56 | 0 | 0 | 0 | 0 | 107.9 | P1622 V1626 | P1622-T1624 VanDerWaalsContact C-N 3.34Å; P1622-T1624 WeakPolarHBondContact O-CG2 3.27Å; P1622-T1624 PolarHBondContact O-N 2.79Å; T1624-V1626 PolarHBondContact O-N 2.84Å | ||
| 1625 | Q | 49.8 | Very low | 43.5 | Very low | 113 Ų | 113 | 88.5 Ų | 88.5 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | trans | -54.2 | 131.7 | 172.3 | -73.3 | 179.3 | -23.8 | 0 | 0 | 108.6 | N1623 C1627 S1645 | N1623-Q1625 PolarHBondContact O-N 2.8Å; Q1625-C1627 PolarHBondContact O-N 2.75Å; Q1625-S1645 PolarHBondContact O-N 2.74Å | ||
| 1626 | V | 57.1 | Low | 45.1 | Very low | 80 Ų | 80 | 87.7 Ų | 87.7 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 99.2 | -176 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | T1624 F1643 K1644 | T1624-V1626 PolarHBondContact O-N 2.84Å; V1626-F1643 CarbonylContact C-O 3.59Å; V1626-K1644 HydrophobicContact CG2-CG 4.17Å |
| 1627 | C | 59.4 | Low | 47.1 | Very low | 32 Ų | 32 | 92.4 Ų | 92.4 | 22% | 0.216 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.3 | 168 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | Q1625 S1642 F1643 | Q1625-C1627 PolarHBondContact O-N 2.75Å; C1627-S1642 CarbonylContact O-C 3.58Å; C1627-S1642 WeakPolarHBondContact O-CA 3.37Å; C1627-F1643 HydrophobicContact CB-CD1 4.24Å; C1627-F1643 HydrophobicContact CB-CD2 3.89Å; C1627-F1643 HydrophobicContact CB-CE1 3.82Å; C1627-F1643 HydrophobicContact CB-CE2 3.42Å; C1627-F1643 VanDerWaalsContact CB-CE2 3.42Å; C1627-F1643 HydrophobicContact CB-CG 4.28Å; C1627-F1643 HydrophobicContact CB-CZ 3.38Å; C1627-F1643 PolarHBondContact N-O 2.88Å; C1627-F1643 PolarHBondContact O-N 3Å; C1627-F1643 VanDerWaalsContact O-O 3.11Å |
| 1628 | T | 65.8 | Low | 49.2 | Very low | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.9 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 108.7 | K1639 M1641 S1642 | T1628-K1639 HydrophobicContact CG2-CD 4.02Å; T1628-K1639 HydrophobicContact CG2-CG 3.76Å; T1628-M1641 WeakPolarHBondContact CA-O 3.35Å; T1628-S1642 PolarHBondContact OG1-OG 2.98Å |
| 1629 | L | 64.8 | Low | 51.1 | Low | 34 Ų | 34 | 96 Ų | 96 | 18% | 0.178 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.8 | 172.1 | -168.2 | 70.6 | 0 | 0 | 0 | 107.8 | E1640 M1641 I1668 Y1679 | L1629-E1640 WeakPolarHBondContact O-CB 3.32Å; L1629-E1640 PolarHBondContact O-N 3.44Å; L1629-M1641 HydrophobicContact CB-CG 4.26Å; L1629-M1641 PolarHBondContact N-O 3.15Å; L1629-M1641 PolarHBondContact O-N 3.3Å; L1629-M1641 VanDerWaalsContact O-N 3.16Å; L1629-I1668 HydrophobicContact CD1-CD1 4.33Å; L1629-Y1679 HydrophobicContact CD2-CD1 3.5Å; L1629-Y1679 HydrophobicContact CD2-CD2 4.28Å; L1629-Y1679 HydrophobicContact CD2-CE1 4.29Å; L1629-Y1679 HydrophobicContact CD2-CG 3.51Å |
| 1630 | S | 70.4 | Confident | 53 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.2 | 179 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | Q1638 | S1630-Q1638 CarbonylContact C-O 3.6Å; S1630-Q1638 WeakPolarHBondContact CA-O 3.3Å; S1630-Q1638 VanDerWaalsContact CB-O 3.26Å; S1630-Q1638 WeakPolarHBondContact CB-O 3.45Å |
| 1631 | T | 65.5 | Low | 54.9 | Low | 25 Ų | 25 | 88.8 Ų | 88.8 | 15% | 0.153 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.1 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | I1633 Q1638 E1640 L1682 | T1631-I1633 HydrophobicContact CG2-CD1 4.12Å; T1631-I1633 HydrophobicContact CG2-CG1 3.71Å; T1631-Q1638 PolarHBondContact N-O 2.92Å; T1631-Q1638 PolarHBondContact O-N 2.82Å; T1631-E1640 WeakPolarHBondContact CB-OE1 3.41Å; T1631-E1640 VanDerWaalsContact OG1-CG 3.3Å; T1631-E1640 WeakPolarHBondContact OG1-CG 3.39Å; T1631-E1640 PolarHBondContact OG1-OE1 3.39Å; T1631-L1682 HydrophobicContact CG2-CD1 4.35Å |
| 1632 | L | 64.9 | Low | 57 | Low | 93 Ų | 93 | 82.3 Ų | 82.3 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 111.6 | 173.2 | -176.4 | 64.3 | 0 | 0 | 0 | 108.9 | W1637 | L1632-W1637 HydrophobicContact CB-CD2 4.1Å; L1632-W1637 HydrophobicContact CB-CE3 3.89Å; L1632-W1637 HydrophobicContact CB-CH2 4.13Å; L1632-W1637 HydrophobicContact CB-CZ2 4.31Å; L1632-W1637 HydrophobicContact CB-CZ3 3.92Å; L1632-W1637 HydrophobicContact CD1-CD2 3.99Å; L1632-W1637 HydrophobicContact CD1-CG 4Å; L1632-W1637 HydrophobicContact CD2-CZ2 4.46Å |
| 1633 | I | 62.8 | Low | 58.7 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 22% | 0.221 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.7 | -179.6 | -53.9 | -179.8 | 0 | 0 | 0 | 108.4 | T1631 G1635 V1636 L1682 | T1631-I1633 HydrophobicContact CG2-CD1 4.12Å; T1631-I1633 HydrophobicContact CG2-CG1 3.71Å; I1633-G1635 PolarHBondContact O-N 2.9Å; I1633-G1635 VanDerWaalsContact O-N 3.14Å; I1633-V1636 PolarHBondContact N-O 3.26Å; I1633-V1636 PolarHBondContact O-N 3.38Å; I1633-L1682 HydrophobicContact CD1-CD1 3.75Å; I1633-L1682 HydrophobicContact CG1-CD1 4.12Å |
| 1634 | N | 58.2 | Low | 60 | Low | 165 Ų | 165 | 77.9 Ų | 77.9 | 88% | 0.882 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.4 | -178.8 | -59.3 | -17.7 | 0 | 0 | 0 | 114 | V1636 | N1634-V1636 VanDerWaalsContact C-N 3.29Å; N1634-V1636 PolarHBondContact O-N 3.43Å |
| 1635 | G | 47.7 | Very low | 61 | Low | 66 Ų | 66 | 75.6 Ų | 75.6 | 68% | 0.68 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1633 | I1633-G1635 PolarHBondContact O-N 2.9Å; I1633-G1635 VanDerWaalsContact O-N 3.14Å |
| 1636 | V | 54.7 | Low | 61.1 | Low | 90 Ų | 90 | 77.8 Ų | 77.8 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.3 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 110 | I1633 N1634 Q1638 | I1633-V1636 PolarHBondContact N-O 3.26Å; I1633-V1636 PolarHBondContact O-N 3.38Å; N1634-V1636 VanDerWaalsContact C-N 3.29Å; N1634-V1636 PolarHBondContact O-N 3.43Å; V1636-Q1638 PolarHBondContact O-N 2.94Å; V1636-Q1638 VanDerWaalsContact O-N 3.17Å |
| 1637 | W | 61.3 | Low | 60.9 | Low | 179 Ų | 179 | 75.6 Ų | 75.6 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 105 | 171.6 | -77.4 | 108.4 | 0 | 0 | 0 | 110.2 | L1632 | L1632-W1637 HydrophobicContact CB-CD2 4.1Å; L1632-W1637 HydrophobicContact CB-CE3 3.89Å; L1632-W1637 HydrophobicContact CB-CH2 4.13Å; L1632-W1637 HydrophobicContact CB-CZ2 4.31Å; L1632-W1637 HydrophobicContact CB-CZ3 3.92Å; L1632-W1637 HydrophobicContact CD1-CD2 3.99Å; L1632-W1637 HydrophobicContact CD1-CG 4Å; L1632-W1637 HydrophobicContact CD2-CZ2 4.46Å |
| 1638 | Q | 64.7 | Low | 60.6 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.3 | 171.6 | -61.8 | -165.2 | 0.4 | 0 | 0 | 109.5 | S1630 T1631 V1636 E1640 | S1630-Q1638 CarbonylContact C-O 3.6Å; S1630-Q1638 WeakPolarHBondContact CA-O 3.3Å; S1630-Q1638 VanDerWaalsContact CB-O 3.26Å; S1630-Q1638 WeakPolarHBondContact CB-O 3.45Å; T1631-Q1638 PolarHBondContact N-O 2.92Å; T1631-Q1638 PolarHBondContact O-N 2.82Å; V1636-Q1638 PolarHBondContact O-N 2.94Å; V1636-Q1638 VanDerWaalsContact O-N 3.17Å; Q1638-E1640 PolarHBondContact O-N 2.92Å |
| 1639 | K | 62.1 | Low | 59.8 | Low | 139 Ų | 139 | 76.7 Ų | 76.7 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 105.2 | 179.7 | 178.9 | 180 | 173.6 | 175.1 | 0 | 109.5 | T1628 S1642 | T1628-K1639 HydrophobicContact CG2-CD 4.02Å; T1628-K1639 HydrophobicContact CG2-CG 3.76Å; K1639-S1642 WeakPolarHBondContact CE-OG 3.46Å; K1639-S1642 PolarHBondContact NZ-OG 3.26Å |
| 1640 | E | 62.5 | Low | 58.9 | Low | 61 Ų | 61 | 78 Ų | 78 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -53.3 | -174.3 | -54.6 | -77.8 | -133.8 | 0 | 0 | 111.4 | L1629 T1631 Q1638 Y1679 | L1629-E1640 WeakPolarHBondContact O-CB 3.32Å; L1629-E1640 PolarHBondContact O-N 3.44Å; T1631-E1640 WeakPolarHBondContact CB-OE1 3.41Å; T1631-E1640 VanDerWaalsContact OG1-CG 3.3Å; T1631-E1640 WeakPolarHBondContact OG1-CG 3.39Å; T1631-E1640 PolarHBondContact OG1-OE1 3.39Å; Q1638-E1640 PolarHBondContact O-N 2.92Å; E1640-Y1679 HydrophobicContact CB-CE1 4.36Å; E1640-Y1679 HydrophobicContact CB-CE2 4.19Å; E1640-Y1679 HydrophobicContact CG-CE1 4.07Å; E1640-Y1679 PolarHBondContact OE1-OH 3.03Å; E1640-Y1679 PolarHBondContact OE2-OH 2.85Å |
| 1641 | M | 63.7 | Low | 57.5 | Low | 61 Ų | 61 | 82.7 Ų | 82.7 | 30% | 0.3 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 157.3 | 175.1 | 82.4 | 172.4 | -47.8 | 0 | 0 | 113.5 | T1628 L1629 F1643 P1677 | T1628-M1641 WeakPolarHBondContact CA-O 3.35Å; L1629-M1641 HydrophobicContact CB-CG 4.26Å; L1629-M1641 PolarHBondContact N-O 3.15Å; L1629-M1641 PolarHBondContact O-N 3.3Å; L1629-M1641 VanDerWaalsContact O-N 3.16Å; M1641-F1643 HydrophobicContact CE-CB 4.1Å; M1641-F1643 HydrophobicContact CG-CD1 4.08Å; M1641-F1643 HydrophobicContact SD-CD1 4.03Å; M1641-P1677 HydrophobicContact CE-CG 4.04Å; M1641-P1677 HydrophobicContact SD-CG 3.94Å |
| 1642 | S | 66.4 | Low | 56.4 | Low | 49 Ų | 49 | 88.1 Ų | 88.1 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.7 | 162.1 | -76.1 | 0 | 0 | 0 | 0 | 109.3 | C1627 T1628 K1639 | C1627-S1642 CarbonylContact O-C 3.58Å; C1627-S1642 WeakPolarHBondContact O-CA 3.37Å; T1628-S1642 PolarHBondContact OG1-OG 2.98Å; K1639-S1642 WeakPolarHBondContact CE-OG 3.46Å; K1639-S1642 PolarHBondContact NZ-OG 3.26Å |
| 1643 | F | 62.3 | Low | 55.8 | Low | 21 Ų | 21 | 93.6 Ų | 93.6 | 9% | 0.092 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.3 | 176.1 | 62.7 | -88.3 | 0 | 0 | 0 | 111.1 | V1626 C1627 M1641 I1675 S1676 | V1626-F1643 CarbonylContact C-O 3.59Å; C1627-F1643 HydrophobicContact CB-CD1 4.24Å; C1627-F1643 HydrophobicContact CB-CD2 3.89Å; C1627-F1643 HydrophobicContact CB-CE1 3.82Å; C1627-F1643 HydrophobicContact CB-CE2 3.42Å; C1627-F1643 VanDerWaalsContact CB-CE2 3.42Å; C1627-F1643 HydrophobicContact CB-CG 4.28Å; C1627-F1643 HydrophobicContact CB-CZ 3.38Å; C1627-F1643 PolarHBondContact N-O 2.88Å; C1627-F1643 PolarHBondContact O-N 3Å; C1627-F1643 VanDerWaalsContact O-O 3.11Å; M1641-F1643 HydrophobicContact CE-CB 4.1Å; M1641-F1643 HydrophobicContact CG-CD1 4.08Å; M1641-F1643 HydrophobicContact SD-CD1 4.03Å; F1643-I1675 WeakPolarHBondContact CD2-O 3.13Å; F1643-I1675 WeakPolarHBondContact CE2-O 3.39Å; F1643-S1676 VanDerWaalsContact CZ-CB 3.49Å |
| 1644 | K | 59.6 | Low | 55.5 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.2 | 175.4 | -75.3 | 179 | 177.7 | -176.7 | 0 | 109.5 | V1626 N1646 | V1626-K1644 HydrophobicContact CG2-CG 4.17Å; K1644-N1646 PolarHBondContact O-N 3.09Å |
| 1645 | S | 56.8 | Low | 55.7 | Low | 5 Ų | 5 | 93.7 Ų | 93.7 | 4% | 0.035 | 50% | 0.504 | C | S | . | . | trans | -65.5 | 126.5 | 171.8 | 179 | 0 | 0 | 0 | 0 | 110.4 | Q1625 V1647 | Q1625-S1645 PolarHBondContact O-N 2.74Å; S1645-V1647 PolarHBondContact O-N 3.17Å; S1645-V1647 PolarHBondContact OG-N 2.85Å; S1645-V1647 PolarHBondContact OG-O 2.87Å | ||
| 1646 | N | 53.3 | Low | 56.6 | Low | 158 Ų | 158 | 97.7 Ų | 97.7 | 85% | 0.845 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -78.8 | 8.7 | 169.1 | -72.1 | -23.5 | 0 | 0 | 0 | 112.8 | K1644 | K1644-N1646 PolarHBondContact O-N 3.09Š|
| 1647 | V | 51.3 | Low | 57.4 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 21% | 0.212 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -124.8 | 125.1 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | S1645 L1649 F1670 I1675 | S1645-V1647 PolarHBondContact O-N 3.17Å; S1645-V1647 PolarHBondContact OG-N 2.85Å; S1645-V1647 PolarHBondContact OG-O 2.87Å; V1647-L1649 PolarHBondContact O-N 2.79Å; V1647-F1670 HydrophobicContact CG1-CD1 3.86Å; V1647-F1670 HydrophobicContact CG1-CE1 4.08Å; V1647-I1675 HydrophobicContact CG2-CG2 4.05Å |
| 1648 | S | 53 | Low | 58 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | trans | -63.7 | 124.6 | 171 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | A1650 | S1648-A1650 VanDerWaalsContact C-N 3.26Å; S1648-A1650 PolarHBondContact OG-N 2.86Å | ||
| 1649 | L | 49.9 | Very low | 58.6 | Low | 55 Ų | 55 | 91 Ų | 91 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | trans | -87.1 | 6.2 | 176.2 | -70.3 | 167 | 0 | 0 | 0 | 112.7 | V1647 L1655 F1670 | V1647-L1649 PolarHBondContact O-N 2.79Å; L1649-L1655 HydrophobicContact CD2-CD2 3.98Å; L1649-F1670 HydrophobicContact CD2-CE2 4.28Å | ||
| 1650 | A | 46.3 | Very low | 59.2 | Low | 63 Ų | 63 | 89.2 Ų | 89.2 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | trans | -71.1 | 133.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1648 | S1648-A1650 VanDerWaalsContact C-N 3.26Å; S1648-A1650 PolarHBondContact OG-N 2.86Å | ||
| 1651 | T | 41.4 | Very low | 59.6 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 88% | 0.877 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 60.8 | 50.7 | 162.6 | 62.7 | 0 | 0 | 0 | 0 | 117 | ||
| 1652 | Q | 41.7 | Very low | 59.9 | Low | 139 Ų | 139 | 89.4 Ų | 89.4 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | trans | -136.2 | 123.2 | 159 | -69.2 | -166.5 | -15.3 | 0 | 0 | 111.4 | T1654 | Q1652-T1654 PolarHBondContact O-N 3.03Å; Q1652-T1654 VanDerWaalsContact O-N 3.1Å | ||
| 1653 | E | 52.1 | Low | 60 | Low | 207 Ų | 207 | 93.7 Ų | 93.7 | 97% | 0.967 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -70.2 | -1.5 | -174.6 | -61.5 | 170.7 | 161.3 | 0 | 0 | 114.4 | ||
| 1654 | T | 57.1 | Low | 60.3 | Low | 118 Ų | 118 | 98.6 Ų | 98.6 | 72% | 0.724 | 53% | 0.527 | S | S | * | . | trans | -146.7 | 103.1 | 178.7 | -51 | 0 | 0 | 0 | 0 | 111.1 | Q1652 | Q1652-T1654 PolarHBondContact O-N 3.03Å; Q1652-T1654 VanDerWaalsContact O-N 3.1Å | ||
| 1655 | L | 61.4 | Low | 61.2 | Low | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | trans | -84.4 | 112.4 | 178.7 | -61 | 177.8 | 0 | 0 | 0 | 110.7 | L1649 L1657 F1670 | L1649-L1655 HydrophobicContact CD2-CD2 3.98Å; L1655-L1657 PolarHBondContact O-N 2.89Å; L1655-F1670 HydrophobicContact CB-CE2 3.95Å; L1655-F1670 HydrophobicContact CD2-CE2 3.62Å; L1655-F1670 HydrophobicContact CD2-CZ 3.84Å; L1655-F1670 HydrophobicContact CG-CE2 4.37Å | ||
| 1656 | K | 66.3 | Low | 62.2 | Low | 150 Ų | 150 | 97.5 Ų | 97.5 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | trans | -93.3 | 88.3 | 175.7 | -167.7 | -177.4 | 178.5 | -172.1 | 0 | 111.5 | G1671 | K1656-G1671 PolarHBondContact O-N 2.85Š| ||
| 1657 | L | 72 | Confident | 63.5 | Low | 102 Ų | 102 | 91.9 Ų | 91.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 150.7 | 169.4 | -68.4 | 167.6 | 0 | 0 | 0 | 111.4 | L1655 I1668 F1669 F1670 I1675 | L1655-L1657 PolarHBondContact O-N 2.89Å; L1657-I1668 HydrophobicContact CD2-CG2 4.2Å; L1657-F1669 CarbonylContact C-O 3.57Å; L1657-F1669 WeakPolarHBondContact CA-O 3.35Å; L1657-F1670 HydrophobicContact CD2-CB 4.45Å; L1657-F1670 HydrophobicContact CD2-CD2 4.01Å; L1657-F1670 HydrophobicContact CG-CD2 4.47Å; L1657-I1675 HydrophobicContact CD2-CD1 3.82Å |
| 1658 | S | 74.6 | Confident | 64.9 | Low | 57 Ų | 57 | 92.1 Ų | 92.1 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 136.8 | 166.2 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | F1669 | S1658-F1669 PolarHBondContact N-O 2.92Å; S1658-F1669 PolarHBondContact O-N 3.07Å |
| 1659 | A | 76.2 | Confident | 66 | Low | 67 Ų | 67 | 91 Ų | 91 | 55% | 0.554 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1666 Q1667 | A1659-V1666 HydrophobicContact CB-CG2 4.01Å; A1659-Q1667 CarbonylContact C-O 3.55Å; A1659-Q1667 WeakPolarHBondContact CA-O 3.22Å |
| 1660 | K | 75.4 | Confident | 67 | Low | 101 Ų | 101 | 90 Ų | 90 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.6 | 163.9 | -166.7 | -162.1 | 174.8 | -160.5 | 0 | 108 | D1662 V1666 Q1667 F1669 | K1660-D1662 WeakPolarHBondContact CE-OD1 3.19Å; K1660-D1662 IonicContact NZ-OD1 3.64Å; K1660-D1662 PolarHBondContact NZ-OD1 3.41Å; K1660-D1662 IonicContact NZ-OD2 2.74Å; K1660-D1662 PolarHBondContact NZ-OD2 3.09Å; K1660-V1666 CarbonylContact O-C 3.58Å; K1660-V1666 WeakPolarHBondContact O-CA 3.42Å; K1660-Q1667 PolarHBondContact N-O 3.13Å; K1660-Q1667 PolarHBondContact O-N 3.38Å; K1660-F1669 HydrophobicContact CB-CE2 4.05Å |
| 1661 | I | 71.1 | Confident | 68.2 | Low | 72 Ų | 72 | 88.3 Ų | 88.3 | 37% | 0.369 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | 168.9 | -62 | 167.9 | 0 | 0 | 0 | 107.9 | F1665 V1666 V1686 | I1661-F1665 CarbonylContact C-O 3.58Å; I1661-F1665 VanDerWaalsContact CA-O 3.32Å; I1661-F1665 WeakPolarHBondContact CA-O 3.38Å; I1661-V1666 HydrophobicContact CD1-CG2 4.47Å; I1661-V1666 HydrophobicContact CG1-CB 3.99Å; I1661-V1666 HydrophobicContact CG1-CG2 3.82Å; I1661-V1686 HydrophobicContact CD1-CG2 3.34Å |
| 1662 | D | 68.9 | Low | 69.4 | Low | 54 Ų | 54 | 89 Ų | 89 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 99.9 | -169.5 | -129.6 | 6.8 | 0 | 0 | 0 | 107.5 | K1660 R1664 F1665 K1678 | K1660-D1662 WeakPolarHBondContact CE-OD1 3.19Å; K1660-D1662 IonicContact NZ-OD1 3.64Å; K1660-D1662 PolarHBondContact NZ-OD1 3.41Å; K1660-D1662 IonicContact NZ-OD2 2.74Å; K1660-D1662 PolarHBondContact NZ-OD2 3.09Å; D1662-R1664 VanDerWaalsContact C-N 3.32Å; D1662-R1664 PolarHBondContact O-N 3Å; D1662-F1665 PolarHBondContact N-O 2.81Å; D1662-F1665 PolarHBondContact O-N 2.78Å; D1662-K1678 IonicContact OD2-NZ 3.18Å; D1662-K1678 PolarHBondContact OD2-NZ 3.24Å |
| 1663 | D | 68.7 | Low | 70.6 | Confident | 139 Ų | 139 | 89.5 Ų | 89.5 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -81.5 | -164.1 | -83.6 | -40.8 | 0 | 0 | 0 | 114.8 | ||
| 1664 | R | 69.7 | Low | 71.7 | Confident | 125 Ų | 125 | 82 Ų | 82 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -2.8 | 176.5 | -73.4 | -175.4 | -83.3 | 164.4 | -11.3 | 112.9 | D1662 E1680 V1681 K1684 | D1662-R1664 VanDerWaalsContact C-N 3.32Å; D1662-R1664 PolarHBondContact O-N 3Å; R1664-E1680 HydrophobicContact CB-CG 3.68Å; R1664-E1680 WeakPolarHBondContact CD-OE1 3.48Å; R1664-E1680 IonicContact CZ-OE1 2.58Å; R1664-E1680 VanDerWaalsContact CZ-OE1 3.24Å; R1664-E1680 IonicContact NE-OE1 3.64Å; R1664-E1680 PolarHBondContact NE-OE1 3.15Å; R1664-E1680 IonicContact NH1-OE1 2.66Å; R1664-E1680 PolarHBondContact NH1-OE1 2.76Å; R1664-E1680 CarbonylContact O-C 3.01Å; R1664-E1680 WeakPolarHBondContact O-CA 3.13Å; R1664-V1681 WeakPolarHBondContact O-CG2 3.32Å; R1664-V1681 PolarHBondContact O-N 3.44Å; R1664-K1684 HydrophobicContact CG-CG 4.43Å |
| 1665 | F | 77.5 | Confident | 72.4 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 36% | 0.36 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.8 | -174.7 | -65.9 | -79.3 | 0 | 0 | 0 | 112.8 | I1661 D1662 K1678 Y1679 E1680 | I1661-F1665 CarbonylContact C-O 3.58Å; I1661-F1665 VanDerWaalsContact CA-O 3.32Å; I1661-F1665 WeakPolarHBondContact CA-O 3.38Å; D1662-F1665 PolarHBondContact N-O 2.81Å; D1662-F1665 PolarHBondContact O-N 2.78Å; F1665-K1678 HydrophobicContact CB-CB 4.43Å; F1665-K1678 HydrophobicContact CB-CD 4.36Å; F1665-K1678 HydrophobicContact CD1-CB 4.41Å; F1665-Y1679 CarbonylContact C-O 3.52Å; F1665-Y1679 VanDerWaalsContact CA-O 3.26Å; F1665-Y1679 WeakPolarHBondContact CA-O 3.34Å; F1665-E1680 HydrophobicContact CD1-CB 4.08Å; F1665-E1680 HydrophobicContact CD1-CG 4.38Å; F1665-E1680 HydrophobicContact CE1-CB 3.75Å; F1665-E1680 HydrophobicContact CE1-CG 3.99Å; F1665-E1680 HydrophobicContact CZ-CB 4.39Å; F1665-E1680 HydrophobicContact CZ-CG 4.18Å |
| 1666 | V | 78.2 | Confident | 72.8 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.3 | 168.9 | 67.4 | 0 | 0 | 0 | 0 | 111 | A1659 K1660 I1661 K1678 Y1679 V1681 | A1659-V1666 HydrophobicContact CB-CG2 4.01Å; K1660-V1666 CarbonylContact O-C 3.58Å; K1660-V1666 WeakPolarHBondContact O-CA 3.42Å; I1661-V1666 HydrophobicContact CD1-CG2 4.47Å; I1661-V1666 HydrophobicContact CG1-CB 3.99Å; I1661-V1666 HydrophobicContact CG1-CG2 3.82Å; V1666-K1678 CarbonylContact O-C 3.58Å; V1666-K1678 WeakPolarHBondContact O-CA 3.5Å; V1666-Y1679 HydrophobicContact CG1-CD1 4.42Å; V1666-Y1679 PolarHBondContact N-O 3.24Å; V1666-Y1679 PolarHBondContact O-N 2.79Å; V1666-V1681 HydrophobicContact CB-CG1 4.48Å; V1666-V1681 HydrophobicContact CB-CG2 4.26Å; V1666-V1681 HydrophobicContact CG1-CG1 3.86Å; V1666-V1681 HydrophobicContact CG1-CG2 4.37Å |
| 1667 | Q | 81.4 | Confident | 73.1 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 129.1 | 172.4 | -171.9 | 171.1 | 15.6 | 0 | 0 | 110.4 | A1659 K1660 F1669 S1674 K1678 | A1659-Q1667 CarbonylContact C-O 3.55Å; A1659-Q1667 WeakPolarHBondContact CA-O 3.22Å; K1660-Q1667 PolarHBondContact N-O 3.13Å; K1660-Q1667 PolarHBondContact O-N 3.38Å; Q1667-F1669 HydrophobicContact CB-CE2 3.87Å; Q1667-F1669 HydrophobicContact CB-CZ 4.35Å; Q1667-F1669 HydrophobicContact CG-CD2 4.49Å; Q1667-F1669 HydrophobicContact CG-CE2 3.72Å; Q1667-F1669 HydrophobicContact CG-CZ 3.85Å; Q1667-F1669 WeakPolarHBondContact O-CD2 3.29Å; Q1667-F1669 WeakPolarHBondContact O-CE2 3.29Å; Q1667-S1674 PolarHBondContact NE2-OG 3.14Å; Q1667-K1678 HydrophobicContact CB-CG 4.01Å; Q1667-K1678 HydrophobicContact CG-CG 4.25Å |
| 1668 | I | 79.3 | Confident | 73.3 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.205 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.6 | -174.2 | -52.9 | 171.6 | 0 | 0 | 0 | 109.9 | L1629 L1657 I1675 S1676 | L1629-I1668 HydrophobicContact CD1-CD1 4.33Å; L1657-I1668 HydrophobicContact CD2-CG2 4.2Å; I1668-I1675 HydrophobicContact CB-CG1 4.26Å; I1668-I1675 HydrophobicContact CG2-CD1 3.94Å; I1668-I1675 HydrophobicContact CG2-CG1 3.92Å; I1668-I1675 WeakPolarHBondContact O-CG1 3.32Å; I1668-I1675 PolarHBondContact O-N 3.29Å; I1668-S1676 PolarHBondContact N-OG 2.74Å; I1668-S1676 PolarHBondContact O-N 3.33Å |
| 1669 | F | 77.4 | Confident | 72.9 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.9 | 179.9 | -59.4 | -104 | 0 | 0 | 0 | 110.5 | L1657 S1658 K1660 Q1667 K1673 | L1657-F1669 CarbonylContact C-O 3.57Å; L1657-F1669 WeakPolarHBondContact CA-O 3.35Å; S1658-F1669 PolarHBondContact N-O 2.92Å; S1658-F1669 PolarHBondContact O-N 3.07Å; K1660-F1669 HydrophobicContact CB-CE2 4.05Å; Q1667-F1669 HydrophobicContact CB-CE2 3.87Å; Q1667-F1669 HydrophobicContact CB-CZ 4.35Å; Q1667-F1669 HydrophobicContact CG-CD2 4.49Å; Q1667-F1669 HydrophobicContact CG-CE2 3.72Å; Q1667-F1669 HydrophobicContact CG-CZ 3.85Å; Q1667-F1669 WeakPolarHBondContact O-CD2 3.29Å; Q1667-F1669 WeakPolarHBondContact O-CE2 3.29Å; F1669-K1673 CarbonylContact C-O 3.53Å; F1669-K1673 WeakPolarHBondContact CA-O 3.29Å |
| 1670 | F | 70.7 | Confident | 72.5 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.8 | 166.6 | -174.8 | -99.4 | 0 | 0 | 0 | 109.2 | V1647 L1649 L1655 L1657 N1672 K1673 I1675 | V1647-F1670 HydrophobicContact CG1-CD1 3.86Å; V1647-F1670 HydrophobicContact CG1-CE1 4.08Å; L1649-F1670 HydrophobicContact CD2-CE2 4.28Å; L1655-F1670 HydrophobicContact CB-CE2 3.95Å; L1655-F1670 HydrophobicContact CD2-CE2 3.62Å; L1655-F1670 HydrophobicContact CD2-CZ 3.84Å; L1655-F1670 HydrophobicContact CG-CE2 4.37Å; L1657-F1670 HydrophobicContact CD2-CB 4.45Å; L1657-F1670 HydrophobicContact CD2-CD2 4.01Å; L1657-F1670 HydrophobicContact CG-CD2 4.47Å; F1670-N1672 PolarHBondContact O-N 2.84Å; F1670-N1672 VanDerWaalsContact O-N 3.1Å; F1670-K1673 PolarHBondContact N-O 3.36Å; F1670-K1673 PolarHBondContact O-N 3.47Å; F1670-I1675 HydrophobicContact CB-CD1 4.35Å; F1670-I1675 HydrophobicContact CB-CG2 3.64Å |
| 1671 | G | 70.1 | Confident | 72.2 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -113.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1656 | K1656-G1671 PolarHBondContact O-N 2.85Š|
| 1672 | N | 67.5 | Low | 71.7 | Confident | 159 Ų | 159 | 70.4 Ų | 70.4 | 85% | 0.85 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 6.6 | 176 | -66.8 | 14.2 | 0 | 0 | 0 | 113.2 | F1670 | F1670-N1672 PolarHBondContact O-N 2.84Å; F1670-N1672 VanDerWaalsContact O-N 3.1Å |
| 1673 | K | 67.1 | Low | 71.2 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 65% | 0.648 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.6 | 178.3 | -71.7 | -171.8 | 176.1 | -174.4 | 0 | 110.5 | F1669 F1670 I1675 | F1669-K1673 CarbonylContact C-O 3.53Å; F1669-K1673 WeakPolarHBondContact CA-O 3.29Å; F1670-K1673 PolarHBondContact N-O 3.36Å; F1670-K1673 PolarHBondContact O-N 3.47Å; K1673-I1675 PolarHBondContact O-N 3.1Å |
| 1674 | S | 74.4 | Confident | 70.7 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 135.5 | 167.7 | -166 | 0 | 0 | 0 | 0 | 109.5 | Q1667 S1676 | Q1667-S1674 PolarHBondContact NE2-OG 3.14Å; S1674-S1676 PolarHBondContact OG-O 2.84Å |
| 1675 | I | 72.9 | Confident | 70 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -28.4 | 172.2 | 58.5 | 164.6 | 0 | 0 | 0 | 112.5 | F1643 V1647 L1657 I1668 F1670 K1673 | F1643-I1675 WeakPolarHBondContact CD2-O 3.13Å; F1643-I1675 WeakPolarHBondContact CE2-O 3.39Å; V1647-I1675 HydrophobicContact CG2-CG2 4.05Å; L1657-I1675 HydrophobicContact CD2-CD1 3.82Å; I1668-I1675 HydrophobicContact CB-CG1 4.26Å; I1668-I1675 HydrophobicContact CG2-CD1 3.94Å; I1668-I1675 HydrophobicContact CG2-CG1 3.92Å; I1668-I1675 WeakPolarHBondContact O-CG1 3.32Å; I1668-I1675 PolarHBondContact O-N 3.29Å; F1670-I1675 HydrophobicContact CB-CD1 4.35Å; F1670-I1675 HydrophobicContact CB-CG2 3.64Å; K1673-I1675 PolarHBondContact O-N 3.1Å |
| 1676 | S | 70 | Confident | 69.1 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 162.9 | 171 | 78 | 0 | 0 | 0 | 0 | 111.7 | F1643 I1668 S1674 | F1643-S1676 VanDerWaalsContact CZ-CB 3.49Å; I1668-S1676 PolarHBondContact N-OG 2.74Å; I1668-S1676 PolarHBondContact O-N 3.33Å; S1674-S1676 PolarHBondContact OG-O 2.84Å |
| 1677 | P | 71 | Confident | 68.1 | Low | 61 Ų | 61 | 76.2 Ų | 76.2 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 172.5 | 155.6 | -20.7 | 34.5 | 0 | 0 | 0 | 112.2 | M1641 | M1641-P1677 HydrophobicContact CE-CG 4.04Å; M1641-P1677 HydrophobicContact SD-CG 3.94Å |
| 1678 | K | 76.5 | Confident | 67 | Low | 109 Ų | 109 | 81.3 Ų | 81.3 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133.1 | 155.7 | -77.1 | -170.2 | 167.9 | -159.1 | 0 | 108.5 | D1662 F1665 V1666 Q1667 | D1662-K1678 IonicContact OD2-NZ 3.18Å; D1662-K1678 PolarHBondContact OD2-NZ 3.24Å; F1665-K1678 HydrophobicContact CB-CB 4.43Å; F1665-K1678 HydrophobicContact CB-CD 4.36Å; F1665-K1678 HydrophobicContact CD1-CB 4.41Å; V1666-K1678 CarbonylContact O-C 3.58Å; V1666-K1678 WeakPolarHBondContact O-CA 3.5Å; Q1667-K1678 HydrophobicContact CB-CG 4.01Å; Q1667-K1678 HydrophobicContact CG-CG 4.25Å |
| 1679 | Y | 66.3 | Low | 66.1 | Low | 60 Ų | 60 | 82.8 Ų | 82.8 | 24% | 0.235 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.8 | 178.8 | -175.4 | -102.7 | 0 | 0 | 0 | 110.8 | L1629 E1640 F1665 V1666 | L1629-Y1679 HydrophobicContact CD2-CD1 3.5Å; L1629-Y1679 HydrophobicContact CD2-CD2 4.28Å; L1629-Y1679 HydrophobicContact CD2-CE1 4.29Å; L1629-Y1679 HydrophobicContact CD2-CG 3.51Å; E1640-Y1679 HydrophobicContact CB-CE1 4.36Å; E1640-Y1679 HydrophobicContact CB-CE2 4.19Å; E1640-Y1679 HydrophobicContact CG-CE1 4.07Å; E1640-Y1679 PolarHBondContact OE1-OH 3.03Å; E1640-Y1679 PolarHBondContact OE2-OH 2.85Å; F1665-Y1679 CarbonylContact C-O 3.52Å; F1665-Y1679 VanDerWaalsContact CA-O 3.26Å; F1665-Y1679 WeakPolarHBondContact CA-O 3.34Å; V1666-Y1679 HydrophobicContact CG1-CD1 4.42Å; V1666-Y1679 PolarHBondContact N-O 3.24Å; V1666-Y1679 PolarHBondContact O-N 2.79Å |
| 1680 | E | 69.3 | Low | 65.1 | Low | 78 Ų | 78 | 85.9 Ų | 85.9 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.3 | -178.7 | -158.6 | 179.5 | 151.3 | 0 | 0 | 111.7 | R1664 F1665 | R1664-E1680 HydrophobicContact CB-CG 3.68Å; R1664-E1680 WeakPolarHBondContact CD-OE1 3.48Å; R1664-E1680 IonicContact CZ-OE1 2.58Å; R1664-E1680 VanDerWaalsContact CZ-OE1 3.24Å; R1664-E1680 IonicContact NE-OE1 3.64Å; R1664-E1680 PolarHBondContact NE-OE1 3.15Å; R1664-E1680 IonicContact NH1-OE1 2.66Å; R1664-E1680 PolarHBondContact NH1-OE1 2.76Å; R1664-E1680 CarbonylContact O-C 3.01Å; R1664-E1680 WeakPolarHBondContact O-CA 3.13Å; F1665-E1680 HydrophobicContact CD1-CB 4.08Å; F1665-E1680 HydrophobicContact CD1-CG 4.38Å; F1665-E1680 HydrophobicContact CE1-CB 3.75Å; F1665-E1680 HydrophobicContact CE1-CG 3.99Å; F1665-E1680 HydrophobicContact CZ-CB 4.39Å; F1665-E1680 HydrophobicContact CZ-CG 4.18Å |
| 1681 | V | 67.3 | Low | 64.7 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | trans | -91.5 | 138.6 | 173.4 | -85.1 | 0 | 0 | 0 | 0 | 111.2 | R1664 V1666 G1683 | R1664-V1681 WeakPolarHBondContact O-CG2 3.32Å; R1664-V1681 PolarHBondContact O-N 3.44Å; V1666-V1681 HydrophobicContact CB-CG1 4.48Å; V1666-V1681 HydrophobicContact CB-CG2 4.26Å; V1666-V1681 HydrophobicContact CG1-CG1 3.86Å; V1666-V1681 HydrophobicContact CG1-CG2 4.37Å; V1681-G1683 PolarHBondContact O-N 2.91Å | ||
| 1682 | L | 61.3 | Low | 63.9 | Low | 135 Ų | 135 | 92.9 Ų | 92.9 | 71% | 0.707 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -66.3 | -18 | -175.5 | -61.9 | 172.6 | 0 | 0 | 0 | 114.3 | T1631 I1633 | T1631-L1682 HydrophobicContact CG2-CD1 4.35Å; I1633-L1682 HydrophobicContact CD1-CD1 3.75Å; I1633-L1682 HydrophobicContact CG1-CD1 4.12Å |
| 1683 | G | 59.1 | Low | 63.7 | Low | 41 Ų | 41 | 88.4 Ų | 88.4 | 42% | 0.423 | 48% | 0.475 | S | S | . | . | trans | -108.9 | 137.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1681 T1685 | V1681-G1683 PolarHBondContact O-N 2.91Å; G1683-T1685 VanDerWaalsContact C-N 3.34Å | ||
| 1684 | K | 56.8 | Low | 63.1 | Low | 160 Ų | 160 | 90 Ų | 90 | 70% | 0.696 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -80.1 | -11.2 | 174.5 | -67.2 | -168.3 | 176.4 | -166.9 | 0 | 114.2 | R1664 | R1664-K1684 HydrophobicContact CG-CG 4.43Š|
| 1685 | T | 56.5 | Low | 62.1 | Low | 104 Ų | 104 | 91.8 Ų | 91.8 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -130.5 | 143 | -172.2 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | G1683 | G1683-T1685 VanDerWaalsContact C-N 3.34Š|
| 1686 | V | 58.3 | Low | 61.2 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 29% | 0.285 | 54% | 0.539 | S | S | . | . | trans | -102.4 | 108.4 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | I1661 E1688 V1689 | I1661-V1686 HydrophobicContact CD1-CG2 3.34Å; V1686-E1688 WeakPolarHBondContact CG1-O 3.37Å; V1686-V1689 HydrophobicContact CG1-CG2 3.43Å; V1686-V1689 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 1687 | E | 57.2 | Low | 60.1 | Low | 189 Ų | 189 | 105.8 Ų | 105.8 | 88% | 0.883 | 57% | 0.573 | S | S | * | * | trans | -84.1 | -39.9 | 178 | -58.8 | -170 | 148.7 | 0 | 0 | 111.4 | ||||
| 1688 | E | 57 | Low | 59.8 | Low | 148 Ų | 148 | 109.6 Ų | 109.6 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | trans | -140.4 | 155.5 | -179.5 | -173.1 | 163.8 | -145.8 | 0 | 0 | 111.4 | V1686 L1690 | V1686-E1688 WeakPolarHBondContact CG1-O 3.37Å; E1688-L1690 HydrophobicContact CG-CD2 4.45Å; E1688-L1690 HydrophobicContact CG-CG 4.22Å | ||
| 1689 | V | 62.2 | Low | 58.7 | Low | 71 Ų | 71 | 109.6 Ų | 109.6 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | trans | -139.2 | 116.1 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | V1686 I1700 V1702 | V1686-V1689 HydrophobicContact CG1-CG2 3.43Å; V1686-V1689 VanDerWaalsContact CG1-CG2 3.43Å; V1689-I1700 HydrophobicContact CB-CD1 4.4Å; V1689-I1700 HydrophobicContact CB-CG2 4.09Å; V1689-I1700 HydrophobicContact CG1-CD1 4.05Å; V1689-I1700 HydrophobicContact CG1-CG2 4.06Å; V1689-I1700 WeakPolarHBondContact O-CD1 3.25Å; V1689-V1702 HydrophobicContact CG2-CG2 3.94Å | ||
| 1690 | L | 56.1 | Low | 58.5 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 59% | 0.586 | 60% | 0.601 | S | S | * | * | trans | -101.4 | 156.6 | 176.1 | -65.5 | 168.4 | 0 | 0 | 0 | 110.7 | E1688 | E1688-L1690 HydrophobicContact CG-CD2 4.45Å; E1688-L1690 HydrophobicContact CG-CG 4.22Å | ||
| 1691 | A | 61.3 | Low | 57.9 | Low | 37 Ų | 37 | 115.9 Ų | 115.9 | 31% | 0.306 | 62% | 0.624 | S | S | . | * | trans | -142.3 | 120.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y1698 I1700 | A1691-Y1698 HydrophobicContact CB-CD1 4.23Å; A1691-Y1698 HydrophobicContact CB-CD2 4Å; A1691-Y1698 HydrophobicContact CB-CE1 4.26Å; A1691-Y1698 HydrophobicContact CB-CE2 4.05Å; A1691-Y1698 HydrophobicContact CB-CG 4.09Å; A1691-Y1698 WeakPolarHBondContact O-CE1 2.92Å; A1691-I1700 HydrophobicContact CB-CD1 4.21Å | ||
| 1692 | E | 52.9 | Low | 57.5 | Low | 169 Ų | 169 | 118 Ų | 118 | 79% | 0.79 | 64% | 0.637 | S | S | * | * | trans | -135.2 | 153.2 | -170.7 | -62.6 | -178.9 | 175.1 | 0 | 0 | 110.8 | ||||
| 1693 | G | 63.2 | Low | 57.2 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 125.6 | -178 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1695 | G1693-V1695 VanDerWaalsContact C-N 3.32Å; G1693-V1695 PolarHBondContact O-N 3.27Å |
| 1694 | D | 56 | Low | 56.6 | Low | 183 Ų | 183 | 119.5 Ų | 119.5 | 98% | 0.979 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -69.5 | 84.3 | 175.6 | -77.2 | -34.9 | 0 | 0 | 0 | 111.1 | ||
| 1695 | V | 52.5 | Low | 55.9 | Low | 87 Ų | 87 | 120.7 Ų | 120.7 | 53% | 0.527 | 64% | 0.642 | S | S | . | * | trans | -139.4 | 109.4 | -177.9 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | G1693 T1697 | G1693-V1695 VanDerWaalsContact C-N 3.32Å; G1693-V1695 PolarHBondContact O-N 3.27Å; V1695-T1697 VanDerWaalsContact C-N 3.31Å; V1695-T1697 VanDerWaalsContact CG1-O 3.29Å; V1695-T1697 WeakPolarHBondContact CG1-O 3.23Å; V1695-T1697 PolarHBondContact O-N 3.44Å | ||
| 1696 | E | 54 | Low | 54.6 | Low | 202 Ų | 202 | 127.5 Ų | 127.5 | 94% | 0.944 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -58.9 | -39.3 | -176.9 | -65.7 | -169.9 | 138.3 | 0 | 0 | 113.3 | ||
| 1697 | T | 47.8 | Very low | 53.1 | Low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -149.1 | 145 | 175.2 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | V1695 | V1695-T1697 VanDerWaalsContact C-N 3.31Å; V1695-T1697 VanDerWaalsContact CG1-O 3.29Å; V1695-T1697 WeakPolarHBondContact CG1-O 3.23Å; V1695-T1697 PolarHBondContact O-N 3.44Å | ||
| 1698 | Y | 63.3 | Low | 51.7 | Low | 140 Ų | 140 | 134.7 Ų | 134.7 | 55% | 0.549 | 68% | 0.677 | S | S | . | * | trans | -136.5 | 160.4 | 170.4 | 62.3 | -98.8 | 0 | 0 | 0 | 111.6 | A1691 I1700 | A1691-Y1698 HydrophobicContact CB-CD1 4.23Å; A1691-Y1698 HydrophobicContact CB-CD2 4Å; A1691-Y1698 HydrophobicContact CB-CE1 4.26Å; A1691-Y1698 HydrophobicContact CB-CE2 4.05Å; A1691-Y1698 HydrophobicContact CB-CG 4.09Å; A1691-Y1698 WeakPolarHBondContact O-CE1 2.92Å; Y1698-I1700 HydrophobicContact CD2-CD1 4.04Å; Y1698-I1700 HydrophobicContact CD2-CG1 4.16Å; Y1698-I1700 HydrophobicContact CE2-CD1 3.91Å | ||
| 1699 | S | 55.2 | Low | 50.1 | Low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -142.4 | 118.8 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1700 | I | 60.7 | Low | 48.3 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 40% | 0.395 | 71% | 0.705 | S | S | . | * | trans | -98.9 | 141.5 | -178.9 | -64.3 | 162.4 | 0 | 0 | 0 | 109.4 | V1689 A1691 Y1698 V1702 | V1689-I1700 HydrophobicContact CB-CD1 4.4Å; V1689-I1700 HydrophobicContact CB-CG2 4.09Å; V1689-I1700 HydrophobicContact CG1-CD1 4.05Å; V1689-I1700 HydrophobicContact CG1-CG2 4.06Å; V1689-I1700 WeakPolarHBondContact O-CD1 3.25Å; A1691-I1700 HydrophobicContact CB-CD1 4.21Å; Y1698-I1700 HydrophobicContact CD2-CD1 4.04Å; Y1698-I1700 HydrophobicContact CD2-CG1 4.16Å; Y1698-I1700 HydrophobicContact CE2-CD1 3.91Å; I1700-V1702 HydrophobicContact CG2-CG2 4.31Å | ||
| 1701 | K | 56.4 | Low | 46.7 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -136.5 | 107.9 | 172 | -71 | -173.4 | 178.5 | 179.9 | 0 | 110.1 | ||||
| 1702 | V | 58.7 | Low | 44.9 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 50% | 0.503 | 74% | 0.741 | S | S | . | * | trans | -87.2 | 135.6 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | V1689 I1700 | V1689-V1702 HydrophobicContact CG2-CG2 3.94Å; I1700-V1702 HydrophobicContact CG2-CG2 4.31Å | ||
| 1703 | A | 55.3 | Low | 43.5 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 55% | 0.554 | 74% | 0.744 | S | S | * | * | trans | -131.8 | 107.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y1705 | A1703-Y1705 HydrophobicContact CB-CD2 4.49Å; A1703-Y1705 HydrophobicContact CB-CE2 3.98Å; A1703-Y1705 PolarHBondContact O-N 3.19Å | ||
| 1704 | H | 46.9 | Very low | 41.5 | Very low | 139 Ų | 139 | 148 Ų | 148 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | trans | -85.5 | 105.8 | 175 | -69.8 | -8.3 | 0 | 0 | 0 | 110.3 | R1706 | H1704-R1706 PolarHBondContact O-N 3.31Š| ||
| 1705 | Y | 41.8 | Very low | 40 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | trans | -80.4 | 98.8 | 172.2 | -74 | -88.1 | 0 | 0 | 0 | 109.6 | A1703 W1707 | A1703-Y1705 HydrophobicContact CB-CD2 4.49Å; A1703-Y1705 HydrophobicContact CB-CE2 3.98Å; A1703-Y1705 PolarHBondContact O-N 3.19Å; Y1705-W1707 VanDerWaalsContact O-CD1 3.29Å; Y1705-W1707 PolarHBondContact O-N 3.32Å | ||
| 1706 | R | 30.2 | Very low | 38.6 | Very low | 247 Ų | 247 | 147.1 Ų | 147.1 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | trans | -77 | 88.6 | 175 | -161.5 | -176.5 | -150.5 | -179.4 | 7.8 | 109.3 | H1704 | H1704-R1706 PolarHBondContact O-N 3.31Š| ||
| 1707 | W | 26.9 | Very low | 37.1 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | trans | -67.2 | 136.1 | 172.8 | -68.1 | 91.9 | 0 | 0 | 0 | 110.1 | Y1705 E1709 | Y1705-W1707 VanDerWaalsContact O-CD1 3.29Å; Y1705-W1707 PolarHBondContact O-N 3.32Å; W1707-E1709 PolarHBondContact O-N 2.82Å | ||
| 1708 | E | 27.1 | Very low | 35.8 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | -75.6 | 119.7 | 170.1 | -69.5 | -173 | 151.1 | 0 | 0 | 109 | K1710 | E1708-K1710 VanDerWaalsContact C-N 3.3Å; E1708-K1710 PolarHBondContact O-N 3.28Å | ||
| 1709 | E | 23.1 | Very low | 33.9 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | trans | -73.9 | 75.4 | -168.8 | -167.8 | 171.8 | -147.8 | 0 | 0 | 112 | W1707 Q1711 | W1707-E1709 PolarHBondContact O-N 2.82Å; E1709-Q1711 PolarHBondContact O-N 3.46Å; E1709-Q1711 VanDerWaalsContact O-N 3.11Å | ||
| 1710 | K | 25.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -70.4 | 101.8 | 167.5 | -73.1 | -169.5 | 176.4 | -174.6 | 0 | 109.3 | E1708 P1712 | E1708-K1710 VanDerWaalsContact C-N 3.3Å; E1708-K1710 PolarHBondContact O-N 3.28Å; K1710-P1712 WeakPolarHBondContact O-CD 3.43Å | ||
| 1711 | Q | 21.9 | Very low | 30.4 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -48.8 | 118.7 | 177.2 | -67.2 | -179 | -31.8 | 0 | 0 | 111.9 | E1709 | E1709-Q1711 PolarHBondContact O-N 3.46Å; E1709-Q1711 VanDerWaalsContact O-N 3.11Å | ||
| 1712 | P | 24.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -93.6 | 109.3 | 174.4 | 33.2 | -27.4 | 0 | 0 | 0 | 110.2 | K1710 | K1710-P1712 WeakPolarHBondContact O-CD 3.43Š| ||
| 1713 | V | 22.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 153 Ų | 153 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -136.7 | 128.1 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1714 | G | 21.6 | Very low | 25.5 | Very low | 62 Ų | 62 | 159.3 Ų | 159.3 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 85.9 | 136.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1715 | T | 23.7 | Very low | 24.4 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -171.6 | 150.9 | -22.4 | 2.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1716 | D | 23.1 | Very low | 23.4 | Very low | 128 Ų | 128 | 157.6 Ų | 157.6 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | 69.2 | 113 | 146.6 | -54.8 | -16.4 | 0 | 0 | 0 | 122.6 | ||||
| 1717 | H | 23.2 | Very low | 22.9 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 68.1 | 115.7 | 142.4 | -63 | -56.1 | 0 | 0 | 0 | 122 | ||||
| 1718 | P | 21.6 | Very low | 22.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 148.5 | 159 | 35 | -32.4 | 0 | 0 | 0 | 110.9 | ||||
| 1719 | L | 22.3 | Very low | 22.4 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -132.1 | 95.5 | 171.2 | -122.8 | 168.4 | 0 | 0 | 0 | 109.5 | ||||
| 1720 | E | 20.5 | Very low | 22.2 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -70.1 | 132.8 | 158.5 | -63 | -179.8 | 115.3 | 0 | 0 | 108.1 | ||||
| 1721 | N | 22.3 | Very low | 21.9 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | -169.2 | 160.5 | 125 | -106 | -58.9 | 0 | 0 | 0 | 114.4 | |||||
| 1722 | S | 22.3 | Very low | 21.9 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -53.2 | 147.9 | -174.3 | 57 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1723 | L | 23.4 | Very low | 21.8 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -138.6 | 124.1 | 139.9 | -114.9 | 158.9 | 0 | 0 | 0 | 109.5 | ||||
| 1724 | K | 21 | Very low | 21.8 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -117.7 | 116.3 | 178.7 | -75.8 | -178 | 178.2 | 177.1 | 0 | 109.9 | ||||
| 1725 | S | 23.8 | Very low | 21.9 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -163.2 | 116.1 | 161.4 | 42.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1726 | Q | 20.7 | Very low | 21.8 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | cis | 58.1 | 99.2 | 39.9 | -159.2 | 171.1 | 4.9 | 0 | 0 | 111.8 | ||||
| 1727 | G | 20.9 | Very low | 21.8 | Very low | 75 Ų | 75 | 152.9 Ų | 152.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -175.2 | 90.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1728 | D | 22.5 | Very low | 21.7 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -75 | 122.5 | 178.1 | -63.2 | -71.1 | 0 | 0 | 0 | 110.2 | ||||
| 1729 | G | 19.9 | Very low | 21.8 | Very low | 72 Ų | 72 | 151.9 Ų | 151.9 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -169.3 | 83.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1730 | R | 20.5 | Very low | 21.8 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | trans | 20.3 | 119.6 | 157.7 | -64.4 | -178.1 | -179 | 174.6 | -0.1 | 119.4 | F1732 | R1730-F1732 PolarHBondContact O-N 3.41Š| ||
| 1731 | E | 19 | Very low | 22 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 32.6 | 88.8 | 132.1 | -62.8 | 176.5 | 125.3 | 0 | 0 | 117.7 | ||||
| 1732 | F | 20.9 | Very low | 22.1 | Very low | 213 Ų | 213 | 142.4 Ų | 142.4 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | trans | -105.5 | 120.4 | 136.2 | -90 | -89.1 | 0 | 0 | 0 | 108.3 | R1730 | R1730-F1732 PolarHBondContact O-N 3.41Š| ||
| 1733 | S | 22.7 | Very low | 22.4 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 158.5 | 165.8 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1734 | D | 22.9 | Very low | 23.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 72.1 | 116.4 | 159.9 | -49.7 | -53 | 0 | 0 | 0 | 119.8 | ||
| 1735 | S | 22.9 | Very low | 24.4 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 96.4 | 12.2 | 135.5 | 78.1 | 0 | 0 | 0 | 0 | 122.6 | F1737 | S1735-F1737 PolarHBondContact O-N 2.88Å; S1735-F1737 VanDerWaalsContact O-N 3.16Å | ||
| 1736 | E | 22 | Very low | 26.9 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -80.2 | 92.3 | 157.1 | -73.5 | -141.3 | 132.2 | 0 | 0 | 111.9 | A1738 | E1736-A1738 VanDerWaalsContact C-N 3.32Å; E1736-A1738 PolarHBondContact O-N 2.98Å | ||
| 1737 | F | 22.2 | Very low | 29.9 | Very low | 196 Ų | 196 | 126.8 Ų | 126.8 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -70.9 | 82.3 | 171.4 | -95.9 | -92 | 0 | 0 | 0 | 111.5 | S1735 | S1735-F1737 PolarHBondContact O-N 2.88Å; S1735-F1737 VanDerWaalsContact O-N 3.16Å | ||
| 1738 | A | 21.4 | Very low | 33 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | -55.4 | 138.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1736 A1740 | E1736-A1738 VanDerWaalsContact C-N 3.32Å; E1736-A1738 PolarHBondContact O-N 2.98Å; A1738-A1740 VanDerWaalsContact C-N 3.3Å; A1738-A1740 PolarHBondContact O-N 2.98Å | ||
| 1739 | L | 22.8 | Very low | 36.3 | Very low | 185 Ų | 185 | 122.4 Ų | 122.4 | 97% | 0.969 | 66% | 0.656 | S | S | * | * | trans | -72.8 | 69.8 | -166.6 | -71.8 | 160.4 | 0 | 0 | 0 | 114 | ||||
| 1740 | A | 23.6 | Very low | 39.8 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | trans | -77.4 | 144.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1738 A1742 | A1738-A1740 VanDerWaalsContact C-N 3.3Å; A1738-A1740 PolarHBondContact O-N 2.98Å; A1740-A1742 PolarHBondContact O-N 3.1Å | ||
| 1741 | P | 24 | Very low | 43.3 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 81% | 0.812 | 60% | 0.602 | S | S | * | * | trans | -68.9 | 131.3 | -169.8 | 25.8 | -34.6 | 0 | 0 | 0 | 113.8 | S1743 | P1741-S1743 PolarHBondContact O-N 2.88Å; P1741-S1743 VanDerWaalsContact O-N 3.08Å | ||
| 1742 | A | 24.1 | Very low | 46.9 | Very low | 99 Ų | 99 | 105.4 Ų | 105.4 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -72.9 | 98.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1740 | A1740-A1742 PolarHBondContact O-N 3.1Š|
| 1743 | S | 30.3 | Very low | 50.5 | Low | 55 Ų | 55 | 97 Ų | 97 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | -179.8 | 97.9 | 125.5 | 37.7 | 0 | 0 | 0 | 0 | 113.5 | P1741 K1865 | P1741-S1743 PolarHBondContact O-N 2.88Å; P1741-S1743 VanDerWaalsContact O-N 3.08Å; S1743-K1865 VanDerWaalsContact OG-CE 3.22Å; S1743-K1865 WeakPolarHBondContact OG-CE 3.29Å | |||
| 1744 | Y | 36.6 | Very low | 53.8 | Low | 157 Ų | 157 | 92.5 Ų | 92.5 | 62% | 0.616 | 50% | 0.497 | S | S | * | . | trans | -66.9 | 141.7 | 164.3 | -80.2 | -90.3 | 0 | 0 | 0 | 110.5 | F1844 G1866 | Y1744-F1844 HydrophobicContact CD1-CZ 4.24Å; Y1744-G1866 PolarHBondContact O-N 2.83Å | ||
| 1745 | K | 49.4 | Very low | 57.1 | Low | 112 Ų | 112 | 86 Ų | 86 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 79.6 | -174.7 | -87.6 | -167.6 | 176.2 | -173.2 | 0 | 111.3 | F1844 H1863 A1864 | K1745-F1844 HydrophobicContact CB-CE1 4.34Å; K1745-F1844 WeakPolarHBondContact O-CD1 3.43Å; K1745-F1844 WeakPolarHBondContact O-CE1 3.44Å; K1745-H1863 HydrophobicContact CB-CB 4.12Å; K1745-H1863 HydrophobicContact CD-CB 4.48Å; K1745-H1863 PolarHBondContact O-CD2 2.87Å; K1745-A1864 CarbonylContact C-O 3.56Å; K1745-A1864 VanDerWaalsContact CA-O 3.3Å; K1745-A1864 WeakPolarHBondContact CA-O 3.33Å |
| 1746 | F | 75.6 | Confident | 60.3 | Low | 86 Ų | 86 | 81.1 Ų | 81.1 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.4 | -179.7 | -59.8 | -79.3 | 0 | 0 | 0 | 111.1 | R1748 H1863 A1864 | F1746-R1748 PolarHBondContact O-N 2.78Å; F1746-H1863 CarbonylContact O-C 3.58Å; F1746-H1863 VanDerWaalsContact O-CA 3.24Å; F1746-H1863 WeakPolarHBondContact O-CA 3.42Å; F1746-A1864 PolarHBondContact N-O 2.82Å; F1746-A1864 VanDerWaalsContact N-O 3.14Å; F1746-A1864 PolarHBondContact O-N 2.84Å |
| 1747 | L | 83.6 | Confident | 63.2 | Low | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 128.9 | 173.2 | -179 | 67.9 | 0 | 0 | 0 | 110.3 | I1750 M1769 V1820 L1840 R1843 A1845 L1861 | L1747-I1750 HydrophobicContact CD1-CG1 4.12Å; L1747-I1750 HydrophobicContact CD2-CD1 4.08Å; L1747-I1750 HydrophobicContact CD2-CG1 4Å; L1747-I1750 HydrophobicContact CG-CG1 4.49Å; L1747-M1769 HydrophobicContact CD2-CE 3.97Å; L1747-V1820 HydrophobicContact CD2-CG2 4.18Å; L1747-V1820 HydrophobicContact CG-CG2 4.15Å; L1747-V1820 WeakPolarHBondContact O-CG1 3.49Å; L1747-L1840 HydrophobicContact CD2-CD1 4.12Å; L1747-R1843 WeakPolarHBondContact CB-O 3.41Å; L1747-R1843 PolarHBondContact N-O 2.86Å; L1747-R1843 VanDerWaalsContact N-O 3.15Å; L1747-A1845 HydrophobicContact CD1-CB 4.06Å; L1747-A1845 HydrophobicContact CD2-CB 4.08Å; L1747-L1861 HydrophobicContact CD1-CD2 4.45Å |
| 1748 | R | 86.6 | Confident | 65.6 | Low | 140 Ų | 140 | 73.5 Ų | 73.5 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -35.8 | -178.4 | -166.4 | -165 | -175.3 | -154.8 | 4.4 | 112.6 | F1746 V1820 E1862 A1864 | F1746-R1748 PolarHBondContact O-N 2.78Å; R1748-V1820 PolarHBondContact O-N 3.33Å; R1748-E1862 WeakPolarHBondContact CA-O 3.48Å; R1748-E1862 HydrophobicContact CB-CG 4.44Å; R1748-E1862 WeakPolarHBondContact CB-O 3.4Å; R1748-E1862 WeakPolarHBondContact CD-OE1 3.23Å; R1748-E1862 IonicContact CZ-OE1 2.72Å; R1748-E1862 PolarHBondContact N-O 3.19Å; R1748-E1862 IonicContact NE-OE1 3.16Å; R1748-E1862 IonicContact NH1-OE1 2.73Å; R1748-E1862 PolarHBondContact NH1-OE1 3.23Å; R1748-A1864 HydrophobicContact CB-CB 4.2Å |
| 1749 | A | 91.4 | Very high | 68.4 | Low | 7 Ų | 7 | 76.2 Ų | 76.2 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 144.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1751 A1818 E1862 | A1749-R1751 HydrophobicContact CB-CG 4.4Å; A1749-A1818 VanDerWaalsContact CA-O 3.3Å; A1749-A1818 WeakPolarHBondContact CA-O 3.34Å; A1749-E1862 HydrophobicContact CB-CB 4.04Å; A1749-E1862 PolarHBondContact N-O 3.11Å; A1749-E1862 PolarHBondContact O-N 2.81Å |
| 1750 | I | 92.6 | Very high | 71.3 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.3 | 160.7 | -51.2 | 179.1 | 0 | 0 | 0 | 106.5 | L1747 I1752 V1767 W1775 T1817 A1818 V1848 V1859 L1861 | L1747-I1750 HydrophobicContact CD1-CG1 4.12Å; L1747-I1750 HydrophobicContact CD2-CD1 4.08Å; L1747-I1750 HydrophobicContact CD2-CG1 4Å; L1747-I1750 HydrophobicContact CG-CG1 4.49Å; I1750-I1752 HydrophobicContact CG2-CD1 4.05Å; I1750-I1752 HydrophobicContact CG2-CG1 3.84Å; I1750-V1767 HydrophobicContact CD1-CB 4.48Å; I1750-V1767 HydrophobicContact CD1-CG1 3.83Å; I1750-V1767 HydrophobicContact CD1-CG2 3.94Å; I1750-W1775 HydrophobicContact CD1-CE3 4.48Å; I1750-W1775 HydrophobicContact CD1-CZ3 4.2Å; I1750-T1817 CarbonylContact O-C 3.58Å; I1750-T1817 WeakPolarHBondContact O-CA 3.39Å; I1750-A1818 HydrophobicContact CB-CB 4.27Å; I1750-A1818 PolarHBondContact N-O 3.33Å; I1750-A1818 PolarHBondContact O-N 2.88Å; I1750-V1848 HydrophobicContact CG2-CG2 4.37Å; I1750-V1859 HydrophobicContact CG2-CG1 4.49Å; I1750-L1861 HydrophobicContact CB-CD2 4.17Å; I1750-L1861 HydrophobicContact CG1-CD2 3.84Å; I1750-L1861 HydrophobicContact CG2-CD2 3.86Å |
| 1751 | R | 94.2 | Very high | 74.3 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.5 | 177.2 | -52.7 | 176.8 | -169.8 | -163.9 | 5.7 | 108.2 | A1749 T1817 V1859 D1860 E1862 | A1749-R1751 HydrophobicContact CB-CG 4.4Å; R1751-T1817 HydrophobicContact CG-CG2 4.26Å; R1751-V1859 CarbonylContact O-C 3.5Å; R1751-V1859 WeakPolarHBondContact O-CA 3.46Å; R1751-D1860 HydrophobicContact CB-CB 4.28Å; R1751-D1860 PolarHBondContact N-O 3.43Å; R1751-D1860 PolarHBondContact O-N 2.9Å; R1751-E1862 IonicContact CZ-OE2 3.94Å; R1751-E1862 IonicContact NE-OE2 2.71Å; R1751-E1862 IonicContact NH2-OE2 2.75Å; R1751-E1862 PolarHBondContact NH2-OE2 2.73Å |
| 1752 | I | 96.1 | Very high | 77.5 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.8 | -176.9 | -48.4 | -178.8 | 0 | 0 | 0 | 108.1 | I1750 I1754 V1765 H1815 L1816 V1848 V1850 S1858 V1859 | I1750-I1752 HydrophobicContact CG2-CD1 4.05Å; I1750-I1752 HydrophobicContact CG2-CG1 3.84Å; I1752-I1754 HydrophobicContact CG2-CD1 4.05Å; I1752-I1754 HydrophobicContact CG2-CG1 3.66Å; I1752-V1765 HydrophobicContact CD1-CG1 3.5Å; I1752-V1765 HydrophobicContact CD1-CG2 4.33Å; I1752-H1815 CarbonylContact O-C 3.6Å; I1752-H1815 WeakPolarHBondContact O-CA 3.17Å; I1752-L1816 HydrophobicContact CB-CB 4.46Å; I1752-L1816 PolarHBondContact N-O 2.87Å; I1752-L1816 PolarHBondContact O-N 2.93Å; I1752-V1848 HydrophobicContact CD1-CG1 3.85Å; I1752-V1850 HydrophobicContact CG2-CG2 4.01Å; I1752-S1858 CarbonylContact C-O 3.58Å; I1752-S1858 VanDerWaalsContact CA-O 3.32Å; I1752-S1858 WeakPolarHBondContact CA-O 3.46Å; I1752-S1858 WeakPolarHBondContact CG2-O 3.41Å; I1752-V1859 HydrophobicContact CG1-CG1 4.47Å; I1752-V1859 HydrophobicContact CG1-CG2 4.45Å; I1752-V1859 HydrophobicContact CG2-CG2 4.3Å |
| 1753 | T | 94.7 | Very high | 80.9 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.8 | 166.6 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | V1813 F1814 H1815 Y1857 S1858 | T1753-V1813 HydrophobicContact CG2-CG1 3.49Å; T1753-V1813 VanDerWaalsContact CG2-CG1 3.49Å; T1753-F1814 WeakPolarHBondContact CA-O 3.42Å; T1753-H1815 PolarHBondContact OG1-CE1 3.47Å; T1753-H1815 PolarHBondContact OG1-ND1 3.03Å; T1753-Y1857 CarbonylContact O-C 3.56Å; T1753-Y1857 WeakPolarHBondContact O-CA 3.42Å; T1753-Y1857 WeakPolarHBondContact O-CB 3.46Å; T1753-S1858 WeakPolarHBondContact CB-OG 3.07Å; T1753-S1858 PolarHBondContact N-O 2.84Å; T1753-S1858 PolarHBondContact O-N 2.89Å |
| 1754 | I | 93.7 | Very high | 84 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.2 | -177.1 | -55.3 | -179.4 | 0 | 0 | 0 | 108.4 | I1752 L1756 F1763 V1765 V1813 F1814 V1850 I1854 | I1752-I1754 HydrophobicContact CG2-CD1 4.05Å; I1752-I1754 HydrophobicContact CG2-CG1 3.66Å; I1754-L1756 HydrophobicContact CG2-CD2 4.38Å; I1754-F1763 HydrophobicContact CD1-CD2 4.03Å; I1754-F1763 HydrophobicContact CD1-CE2 3.85Å; I1754-V1765 HydrophobicContact CD1-CG2 4.07Å; I1754-V1813 CarbonylContact O-C 3.59Å; I1754-V1813 VanDerWaalsContact O-CA 3.31Å; I1754-V1813 WeakPolarHBondContact O-CA 3.14Å; I1754-F1814 HydrophobicContact CB-CD1 4.49Å; I1754-F1814 HydrophobicContact CB-CE1 3.93Å; I1754-F1814 HydrophobicContact CB-CE2 3.99Å; I1754-F1814 HydrophobicContact CB-CZ 3.67Å; I1754-F1814 HydrophobicContact CD1-CE2 3.96Å; I1754-F1814 HydrophobicContact CD1-CZ 3.88Å; I1754-F1814 HydrophobicContact CG1-CE2 4.25Å; I1754-F1814 HydrophobicContact CG1-CZ 4.23Å; I1754-F1814 HydrophobicContact CG2-CE1 4.02Å; I1754-F1814 HydrophobicContact CG2-CZ 3.93Å; I1754-F1814 PolarHBondContact N-O 3.01Å; I1754-F1814 PolarHBondContact O-N 3.49Å; I1754-V1850 HydrophobicContact CD1-CG1 3.9Å; I1754-V1850 HydrophobicContact CG1-CG1 4.31Å; I1754-I1854 HydrophobicContact CG2-CB 4.48Å; I1754-I1854 HydrophobicContact CG2-CG2 3.54Å |
| 1755 | G | 91.3 | Very high | 86.8 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1854 V1855 S1856 | G1755-I1854 CarbonylContact O-C 3.24Å; G1755-I1854 WeakPolarHBondContact O-CA 3.32Å; G1755-V1855 PolarHBondContact O-N 3.19Å; G1755-S1856 PolarHBondContact N-O 3Å; G1755-S1856 PolarHBondContact O-N 2.8Å |
| 1756 | L | 89.5 | Confident | 89 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 154.2 | -178.3 | -65.3 | 172 | 0 | 0 | 0 | 112.4 | I1754 A1760 F1763 M1781 L1808 G1811 N1812 F1814 I1854 | I1754-L1756 HydrophobicContact CG2-CD2 4.38Å; L1756-A1760 HydrophobicContact CB-CB 3.94Å; L1756-A1760 HydrophobicContact CD2-CB 4.07Å; L1756-A1760 HydrophobicContact CG-CB 4.41Å; L1756-F1763 HydrophobicContact CD2-CD1 4.02Å; L1756-M1781 HydrophobicContact CD1-CE 3.41Å; L1756-M1781 VanDerWaalsContact CD1-CE 3.41Å; L1756-M1781 HydrophobicContact CD1-SD 3.96Å; L1756-L1808 HydrophobicContact CD1-CB 4.22Å; L1756-G1811 VanDerWaalsContact O-CA 3.28Å; L1756-G1811 WeakPolarHBondContact O-CA 3.21Å; L1756-G1811 PolarHBondContact O-N 2.87Å; L1756-N1812 PolarHBondContact N-O 3.47Å; L1756-F1814 HydrophobicContact CD1-CD1 4.31Å; L1756-F1814 HydrophobicContact CD1-CE1 3.83Å; L1756-F1814 HydrophobicContact CD2-CE1 4.08Å; L1756-F1814 HydrophobicContact CG-CD1 4.41Å; L1756-F1814 HydrophobicContact CG-CE1 3.79Å; L1756-I1854 HydrophobicContact CD2-CG2 4.27Å |
| 1757 | N | 82.9 | Confident | 89.9 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -68.8 | 155.9 | 163.6 | -163.5 | -6.5 | 0 | 0 | 0 | 110.4 | I1759 A1760 G1810 G1811 D1853 V1855 | N1757-I1759 PolarHBondContact O-N 2.78Å; N1757-A1760 VanDerWaalsContact O-CB 3.31Å; N1757-A1760 WeakPolarHBondContact O-CB 3.44Å; N1757-A1760 PolarHBondContact O-N 2.86Å; N1757-G1810 CarbonylContact O-C 3.54Å; N1757-G1810 WeakPolarHBondContact O-CA 3.33Å; N1757-G1811 PolarHBondContact O-N 3.02Å; N1757-D1853 WeakPolarHBondContact CB-O 3.48Å; N1757-D1853 PolarHBondContact N-O 2.8Å; N1757-V1855 HydrophobicContact CB-CG2 4.03Å | ||
| 1758 | Y | 73.6 | Confident | 90.3 | Very high | 167 Ų | 167 | 52.5 Ų | 52.5 | 66% | 0.655 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.9 | -178.7 | -78 | -74.4 | 0 | 0 | 0 | 113.7 | ||
| 1759 | I | 79.1 | Confident | 90.5 | Very high | 143 Ų | 143 | 45.9 Ų | 45.9 | 73% | 0.733 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 21.7 | 179.6 | 60.2 | 171 | 0 | 0 | 0 | 113.6 | N1757 K1761 | N1757-I1759 PolarHBondContact O-N 2.78Å; I1759-K1761 PolarHBondContact O-N 2.77Å |
| 1760 | A | 84.1 | Confident | 90.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | trans | -60.2 | 116 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1756 N1757 M1781 D1853 | L1756-A1760 HydrophobicContact CB-CB 3.94Å; L1756-A1760 HydrophobicContact CD2-CB 4.07Å; L1756-A1760 HydrophobicContact CG-CB 4.41Å; N1757-A1760 VanDerWaalsContact O-CB 3.31Å; N1757-A1760 WeakPolarHBondContact O-CB 3.44Å; N1757-A1760 PolarHBondContact O-N 2.86Å; A1760-M1781 WeakPolarHBondContact O-CB 3.46Å; A1760-D1853 HydrophobicContact CB-CB 3.68Å; A1760-D1853 WeakPolarHBondContact CB-O 3.44Å | ||
| 1761 | K | 88.2 | Confident | 89.5 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | trans | -92.3 | -32.5 | 174.4 | -65.7 | -176.5 | 175.3 | 177.5 | 0 | 112.3 | E1418 I1759 M1781 Q1782 D1853 | E1418-K1761 IonicContact OE2-NZ 3.52Å; E1418-K1761 PolarHBondContact OE2-NZ 3.28Å; I1759-K1761 PolarHBondContact O-N 2.77Å; K1761-M1781 VanDerWaalsContact O-CB 3.27Å; K1761-M1781 WeakPolarHBondContact O-CB 3.37Å; K1761-M1781 PolarHBondContact O-N 3.06Å; K1761-Q1782 HydrophobicContact CB-CG 4.47Å; K1761-Q1782 HydrophobicContact CG-CG 4.3Å; K1761-D1853 WeakPolarHBondContact CA-OD2 3.48Å; K1761-D1853 PolarHBondContact N-OD2 2.76Å | ||
| 1762 | K | 91 | Very high | 88.8 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 150.6 | -174.1 | 65.5 | -163.5 | 173.2 | -166.6 | 0 | 114.1 | A1779 D1853 | K1762-A1779 VanDerWaalsContact CA-O 3.3Å; K1762-A1779 WeakPolarHBondContact CA-O 3.35Å; K1762-D1853 PolarHBondContact N-OD2 2.89Å; K1762-D1853 WeakPolarHBondContact O-CB 3.1Å; K1762-D1853 VanDerWaalsContact O-CG 3.29Å; K1762-D1853 PolarHBondContact O-N 2.82Å |
| 1763 | F | 94.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.3 | 163.9 | 72.2 | -89.4 | 0 | 0 | 0 | 111.8 | I1754 L1756 V1765 L1777 A1779 M1781 W1786 L1808 F1814 S1851 I1854 | I1754-F1763 HydrophobicContact CD1-CD2 4.03Å; I1754-F1763 HydrophobicContact CD1-CE2 3.85Å; L1756-F1763 HydrophobicContact CD2-CD1 4.02Å; F1763-V1765 HydrophobicContact CD2-CG2 4.36Å; F1763-V1765 HydrophobicContact CE2-CG2 4.26Å; F1763-L1777 HydrophobicContact CE2-CD2 4.49Å; F1763-A1779 HydrophobicContact CD1-CB 3.84Å; F1763-A1779 HydrophobicContact CD2-CB 4.22Å; F1763-A1779 HydrophobicContact CE1-CB 3.46Å; F1763-A1779 VanDerWaalsContact CE1-CB 3.46Å; F1763-A1779 HydrophobicContact CE2-CB 3.87Å; F1763-A1779 HydrophobicContact CG-CB 4.2Å; F1763-A1779 HydrophobicContact CZ-CB 3.46Å; F1763-A1779 VanDerWaalsContact CZ-CB 3.46Å; F1763-A1779 PolarHBondContact N-O 3.05Å; F1763-A1779 PolarHBondContact O-N 3.39Å; F1763-M1781 HydrophobicContact CD1-SD 4.42Å; F1763-M1781 HydrophobicContact CE1-SD 4.3Å; F1763-W1786 HydrophobicContact CE1-CH2 4.38Å; F1763-W1786 HydrophobicContact CE1-CZ2 4.08Å; F1763-W1786 AromaticContact CZ-CH2 3.84Å; F1763-W1786 HydrophobicContact CZ-CH2 3.84Å; F1763-W1786 AromaticContact CZ-CZ2 3.96Å; F1763-W1786 HydrophobicContact CZ-CZ2 3.96Å; F1763-W1786 HydrophobicContact CZ-CZ3 4.38Å; F1763-L1808 HydrophobicContact CE1-CD1 4.31Å; F1763-F1814 HydrophobicContact CD1-CZ 4.48Å; F1763-F1814 HydrophobicContact CE1-CE1 4.42Å; F1763-F1814 AromaticContact CE1-CZ 3.77Å; F1763-F1814 HydrophobicContact CE1-CZ 3.77Å; F1763-F1814 HydrophobicContact CE2-CZ 4.14Å; F1763-F1814 HydrophobicContact CZ-CE2 4.15Å; F1763-F1814 AromaticContact CZ-CZ 3.58Å; F1763-F1814 HydrophobicContact CZ-CZ 3.58Å; F1763-S1851 CarbonylContact C-O 3.16Å; F1763-S1851 WeakPolarHBondContact CA-O 3.44Å; F1763-I1854 HydrophobicContact CB-CG2 4.12Å |
| 1764 | R | 95.3 | Very high | 88.3 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.8 | 177.9 | 169.6 | -178.3 | -66.6 | 152.8 | 4.5 | 110.7 | D1766 R1776 L1777 D1778 V1850 S1851 | R1764-D1766 WeakPolarHBondContact CD-OD2 3.43Å; R1764-R1776 HydrophobicContact CG-CG 4.33Å; R1764-L1777 CarbonylContact C-O 3.58Å; R1764-L1777 VanDerWaalsContact CA-O 3.27Å; R1764-L1777 WeakPolarHBondContact CA-O 3.3Å; R1764-D1778 IonicContact CZ-OD1 2.82Å; R1764-D1778 IonicContact NE-OD1 2.67Å; R1764-D1778 PolarHBondContact NE-OD1 3.05Å; R1764-D1778 IonicContact NE-OD2 3.16Å; R1764-D1778 IonicContact NH2-OD1 3.22Å; R1764-D1778 PolarHBondContact NH2-OD1 3.09Å; R1764-D1778 IonicContact NH2-OD2 3.88Å; R1764-V1850 CarbonylContact O-C 3.59Å; R1764-V1850 WeakPolarHBondContact O-CA 3.45Å; R1764-S1851 PolarHBondContact N-O 2.87Å; R1764-S1851 PolarHBondContact O-N 2.8Å |
| 1765 | V | 96.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.3 | 165.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | I1752 I1754 F1763 V1767 R1776 L1777 L1816 V1848 V1850 | I1752-V1765 HydrophobicContact CD1-CG1 3.5Å; I1752-V1765 HydrophobicContact CD1-CG2 4.33Å; I1754-V1765 HydrophobicContact CD1-CG2 4.07Å; F1763-V1765 HydrophobicContact CD2-CG2 4.36Å; F1763-V1765 HydrophobicContact CE2-CG2 4.26Å; V1765-V1767 HydrophobicContact CG1-CG2 4.24Å; V1765-R1776 CarbonylContact O-C 2.93Å; V1765-R1776 WeakPolarHBondContact O-CA 3.49Å; V1765-L1777 HydrophobicContact CB-CB 4.34Å; V1765-L1777 PolarHBondContact N-O 2.93Å; V1765-L1777 PolarHBondContact O-N 3.24Å; V1765-L1816 HydrophobicContact CG2-CD2 4.26Å; V1765-V1848 HydrophobicContact CG1-CG1 4.04Å; V1765-V1850 HydrophobicContact CG2-CG1 4.27Å; V1765-V1850 HydrophobicContact CG2-CG2 4.3Å |
| 1766 | D | 95.4 | Very high | 88.4 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126 | 170.3 | -90.8 | -46.7 | 0 | 0 | 0 | 109.5 | R1764 I1774 R1776 V1848 T1849 | R1764-D1766 WeakPolarHBondContact CD-OD2 3.43Å; D1766-I1774 HydrophobicContact CB-CG2 4.49Å; D1766-R1776 WeakPolarHBondContact OD1-CB 3.4Å; D1766-R1776 IonicContact OD1-CZ 3.86Å; D1766-R1776 IonicContact OD1-NE 2.72Å; D1766-R1776 PolarHBondContact OD1-NE 3.41Å; D1766-R1776 IonicContact OD1-NH2 3.92Å; D1766-R1776 PolarHBondContact OD1-NH2 2.91Å; D1766-R1776 IonicContact OD2-CZ 3.22Å; D1766-R1776 IonicContact OD2-NE 3.4Å; D1766-R1776 PolarHBondContact OD2-NE 2.91Å; D1766-R1776 IonicContact OD2-NH2 2.77Å; D1766-R1776 PolarHBondContact OD2-NH2 2.86Å; D1766-V1848 CarbonylContact O-C 3.56Å; D1766-V1848 WeakPolarHBondContact O-CA 3.4Å; D1766-T1849 PolarHBondContact N-O 3.13Å; D1766-T1849 PolarHBondContact O-N 3.23Å; D1766-T1849 PolarHBondContact O-OG1 3.38Å |
| 1767 | V | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | I1750 V1765 M1769 I1774 W1775 A1845 V1848 | I1750-V1767 HydrophobicContact CD1-CB 4.48Å; I1750-V1767 HydrophobicContact CD1-CG1 3.83Å; I1750-V1767 HydrophobicContact CD1-CG2 3.94Å; V1765-V1767 HydrophobicContact CG1-CG2 4.24Å; V1767-M1769 HydrophobicContact CG1-CG 3.88Å; V1767-I1774 CarbonylContact O-C 3.51Å; V1767-I1774 WeakPolarHBondContact O-CA 3.3Å; V1767-W1775 HydrophobicContact CB-CB 4.42Å; V1767-W1775 HydrophobicContact CB-CE3 3.96Å; V1767-W1775 HydrophobicContact CG2-CE3 3.58Å; V1767-W1775 HydrophobicContact CG2-CZ3 3.94Å; V1767-W1775 PolarHBondContact N-O 2.95Å; V1767-W1775 PolarHBondContact O-N 3.48Å; V1767-A1845 HydrophobicContact CG1-CB 4.08Å; V1767-V1848 HydrophobicContact CB-CG2 4.49Å; V1767-V1848 HydrophobicContact CG1-CG2 4.19Å; V1767-V1848 HydrophobicContact CG2-CG1 4.14Å; V1767-V1848 HydrophobicContact CG2-CG2 4.01Å |
| 1768 | I | 92.2 | Very high | 89.1 | Confident | 66 Ų | 66 | 57 Ų | 57 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.8 | 175.5 | -56.2 | 176.9 | 0 | 0 | 0 | 107.6 | K1846 N1847 | I1768-K1846 WeakPolarHBondContact O-CA 3.4Å; I1768-K1846 WeakPolarHBondContact O-CB 3.33Å; I1768-K1846 PolarHBondContact O-N 2.69Å; I1768-N1847 HydrophobicContact CB-CB 4.32Å; I1768-N1847 HydrophobicContact CD1-CB 4.43Å; I1768-N1847 PolarHBondContact N-O 2.87Å; I1768-N1847 PolarHBondContact O-N 2.8Å; I1768-N1847 VanDerWaalsContact O-N 3.16Å |
| 1769 | M | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -170.8 | -175.3 | -60.6 | -168.2 | 79.8 | 0 | 0 | 111.8 | L1747 V1767 T1773 W1775 L1840 P1841 G1842 F1844 K1846 | L1747-M1769 HydrophobicContact CD2-CE 3.97Å; V1767-M1769 HydrophobicContact CG1-CG 3.88Å; M1769-T1773 WeakPolarHBondContact CB-OG1 3.42Å; M1769-T1773 PolarHBondContact N-O 3.09Å; M1769-W1775 HydrophobicContact SD-CB 4.35Å; M1769-L1840 HydrophobicContact CE-CB 4.39Å; M1769-L1840 HydrophobicContact CE-CD1 4.21Å; M1769-P1841 HydrophobicContact SD-CG 4Å; M1769-G1842 WeakPolarHBondContact CE-O 3.24Å; M1769-F1844 CarbonylContact C-O 3.53Å; M1769-F1844 WeakPolarHBondContact CA-O 3.22Å; M1769-F1844 VanDerWaalsContact CB-O 3.31Å; M1769-F1844 WeakPolarHBondContact CB-O 3.33Å; M1769-K1846 WeakPolarHBondContact O-CD 3.44Å |
| 1770 | D | 82.7 | Confident | 90.6 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -69 | 171.2 | 168.8 | 60.3 | -54.7 | 0 | 0 | 0 | 113.1 | Q1772 T1773 G1842 R1843 F1844 | D1770-Q1772 PolarHBondContact O-N 2.86Å; D1770-T1773 PolarHBondContact O-N 2.86Å; D1770-T1773 PolarHBondContact O-OG1 3.45Å; D1770-G1842 WeakPolarHBondContact OD1-CA 3.36Å; D1770-R1843 PolarHBondContact OD1-N 3.06Å; D1770-F1844 HydrophobicContact CB-CB 4.32Å; D1770-F1844 HydrophobicContact CB-CD2 4.29Å; D1770-F1844 PolarHBondContact N-O 3.4Å; D1770-F1844 VanDerWaalsContact N-O 3.13Å; D1770-F1844 PolarHBondContact OD1-N 3.43Å |
| 1771 | Q | 80.5 | Confident | 90.6 | Very high | 151 Ų | 151 | 46.1 Ų | 46.1 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 28.3 | -178.8 | -54 | -173 | -3.4 | 0 | 0 | 115.3 | T1773 | Q1771-T1773 HydrophobicContact CB-CG2 4.37Å; Q1771-T1773 PolarHBondContact O-N 3.49Å |
| 1772 | Q | 78.8 | Confident | 90.3 | Very high | 170 Ų | 170 | 48.1 Ų | 48.1 | 79% | 0.794 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 20.6 | -174.6 | -52.8 | -174.9 | 4 | 0 | 0 | 114.4 | D1770 | D1770-Q1772 PolarHBondContact O-N 2.86Š|
| 1773 | T | 89.1 | Confident | 90 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | trans | -82.8 | 152.8 | 177.1 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | M1769 D1770 Q1771 R1791 I1792 P1841 | M1769-T1773 WeakPolarHBondContact CB-OG1 3.42Å; M1769-T1773 PolarHBondContact N-O 3.09Å; D1770-T1773 PolarHBondContact O-N 2.86Å; D1770-T1773 PolarHBondContact O-OG1 3.45Å; Q1771-T1773 HydrophobicContact CB-CG2 4.37Å; Q1771-T1773 PolarHBondContact O-N 3.49Å; T1773-R1791 VanDerWaalsContact CA-O 3.23Å; T1773-R1791 WeakPolarHBondContact CA-O 3.46Å; T1773-R1791 WeakPolarHBondContact CB-O 3.39Å; T1773-I1792 HydrophobicContact CG2-CB 4.45Å; T1773-I1792 HydrophobicContact CG2-CG1 4.22Å; T1773-I1792 HydrophobicContact CG2-CG2 4.24Å; T1773-P1841 HydrophobicContact CG2-CB 4.28Å | ||
| 1774 | I | 91.6 | Very high | 89.4 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.8 | 177.7 | -51.2 | 177.9 | 0 | 0 | 0 | 108.4 | D1766 V1767 S1790 R1791 W1796 | D1766-I1774 HydrophobicContact CB-CG2 4.49Å; V1767-I1774 CarbonylContact O-C 3.51Å; V1767-I1774 WeakPolarHBondContact O-CA 3.3Å; I1774-S1790 CarbonylContact O-C 3.53Å; I1774-S1790 WeakPolarHBondContact O-CA 3.33Å; I1774-R1791 HydrophobicContact CB-CB 3.95Å; I1774-R1791 HydrophobicContact CG1-CB 4.38Å; I1774-R1791 PolarHBondContact N-O 2.76Å; I1774-R1791 PolarHBondContact O-N 3.42Å; I1774-W1796 HydrophobicContact CG2-CH2 4.36Å |
| 1775 | W | 91.8 | Very high | 89.1 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.038 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.7 | 169.2 | 176.4 | 67.8 | 0 | 0 | 0 | 109.1 | I1750 V1767 M1769 L1788 A1818 L1827 Y1838 L1840 P1841 | I1750-W1775 HydrophobicContact CD1-CE3 4.48Å; I1750-W1775 HydrophobicContact CD1-CZ3 4.2Å; V1767-W1775 HydrophobicContact CB-CB 4.42Å; V1767-W1775 HydrophobicContact CB-CE3 3.96Å; V1767-W1775 HydrophobicContact CG2-CE3 3.58Å; V1767-W1775 HydrophobicContact CG2-CZ3 3.94Å; V1767-W1775 PolarHBondContact N-O 2.95Å; V1767-W1775 PolarHBondContact O-N 3.48Å; M1769-W1775 HydrophobicContact SD-CB 4.35Å; W1775-L1788 HydrophobicContact CZ2-CD1 3.82Å; W1775-L1788 HydrophobicContact CZ2-CD2 3.87Å; W1775-L1788 HydrophobicContact CZ2-CG 4.13Å; W1775-A1818 HydrophobicContact CH2-CB 3.96Å; W1775-A1818 HydrophobicContact CZ3-CB 4.36Å; W1775-L1827 HydrophobicContact CH2-CD1 4.18Å; W1775-Y1838 AromaticContact CD1-CE1 3.63Å; W1775-Y1838 AromaticContact NE1-CD1 3.62Å; W1775-Y1838 AromaticContact NE1-CE1 3.5Å; W1775-L1840 HydrophobicContact CD2-CD2 3.99Å; W1775-L1840 HydrophobicContact CE3-CD2 4.43Å; W1775-L1840 HydrophobicContact CG-CD2 4.11Å; W1775-P1841 HydrophobicContact CB-CG 4.09Å |
| 1776 | R | 94.5 | Very high | 88.9 | Confident | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.185 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.9 | -172.9 | 177.1 | 171.3 | -69.1 | -174.6 | -7.2 | 111.3 | R1764 V1765 D1766 D1778 L1788 S1789 W1796 | R1764-R1776 HydrophobicContact CG-CG 4.33Å; V1765-R1776 CarbonylContact O-C 2.93Å; V1765-R1776 WeakPolarHBondContact O-CA 3.49Å; D1766-R1776 WeakPolarHBondContact OD1-CB 3.4Å; D1766-R1776 IonicContact OD1-CZ 3.86Å; D1766-R1776 IonicContact OD1-NE 2.72Å; D1766-R1776 PolarHBondContact OD1-NE 3.41Å; D1766-R1776 IonicContact OD1-NH2 3.92Å; D1766-R1776 PolarHBondContact OD1-NH2 2.91Å; D1766-R1776 IonicContact OD2-CZ 3.22Å; D1766-R1776 IonicContact OD2-NE 3.4Å; D1766-R1776 PolarHBondContact OD2-NE 2.91Å; D1766-R1776 IonicContact OD2-NH2 2.77Å; D1766-R1776 PolarHBondContact OD2-NH2 2.86Å; R1776-D1778 WeakPolarHBondContact CD-OD2 3.35Å; R1776-L1788 CarbonylContact O-C 3.6Å; R1776-L1788 WeakPolarHBondContact O-CA 3.24Å; R1776-S1789 PolarHBondContact N-O 3.26Å; R1776-S1789 PolarHBondContact O-N 2.96Å; R1776-W1796 HydrophobicContact CB-CH2 3.92Å; R1776-W1796 HydrophobicContact CB-CZ3 3.8Å |
| 1777 | L | 94.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.3 | 161.2 | 171.4 | 64 | 0 | 0 | 0 | 108.5 | F1763 R1764 V1765 W1786 M1787 L1788 F1802 L1816 L1827 | F1763-L1777 HydrophobicContact CE2-CD2 4.49Å; R1764-L1777 CarbonylContact C-O 3.58Å; R1764-L1777 VanDerWaalsContact CA-O 3.27Å; R1764-L1777 WeakPolarHBondContact CA-O 3.3Å; V1765-L1777 HydrophobicContact CB-CB 4.34Å; V1765-L1777 PolarHBondContact N-O 2.93Å; V1765-L1777 PolarHBondContact O-N 3.24Å; L1777-W1786 HydrophobicContact CD1-CB 4.17Å; L1777-W1786 HydrophobicContact CD1-CE3 3.97Å; L1777-W1786 HydrophobicContact CD2-CE3 4.05Å; L1777-W1786 HydrophobicContact CD2-CZ3 4.11Å; L1777-M1787 WeakPolarHBondContact CA-O 3.36Å; L1777-L1788 HydrophobicContact CB-CD1 3.84Å; L1777-L1788 HydrophobicContact CD1-CD1 3.73Å; L1777-L1788 HydrophobicContact CG-CD1 4.3Å; L1777-F1802 HydrophobicContact CD1-CE1 4.46Å; L1777-F1802 HydrophobicContact CD1-CZ 4.39Å; L1777-L1816 HydrophobicContact CD2-CD2 3.7Å; L1777-L1827 HydrophobicContact CD2-CD2 4.37Å |
| 1778 | D | 93.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.5 | 163.1 | -73.7 | -73.2 | 0 | 0 | 0 | 108.5 | R1764 R1776 W1786 M1787 | R1764-D1778 IonicContact CZ-OD1 2.82Å; R1764-D1778 IonicContact NE-OD1 2.67Å; R1764-D1778 PolarHBondContact NE-OD1 3.05Å; R1764-D1778 IonicContact NE-OD2 3.16Å; R1764-D1778 IonicContact NH2-OD1 3.22Å; R1764-D1778 PolarHBondContact NH2-OD1 3.09Å; R1764-D1778 IonicContact NH2-OD2 3.88Å; R1776-D1778 WeakPolarHBondContact CD-OD2 3.35Å; D1778-W1786 CarbonylContact O-C 3.26Å; D1778-W1786 WeakPolarHBondContact O-CA 2.92Å; D1778-M1787 HydrophobicContact CB-CB 4.42Å; D1778-M1787 PolarHBondContact N-O 3.16Å; D1778-M1787 PolarHBondContact O-N 3.48Å |
| 1779 | A | 93.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | K1762 F1763 W1786 | K1762-A1779 VanDerWaalsContact CA-O 3.3Å; K1762-A1779 WeakPolarHBondContact CA-O 3.35Å; F1763-A1779 HydrophobicContact CD1-CB 3.84Å; F1763-A1779 HydrophobicContact CD2-CB 4.22Å; F1763-A1779 HydrophobicContact CE1-CB 3.46Å; F1763-A1779 VanDerWaalsContact CE1-CB 3.46Å; F1763-A1779 HydrophobicContact CE2-CB 3.87Å; F1763-A1779 HydrophobicContact CG-CB 4.2Å; F1763-A1779 HydrophobicContact CZ-CB 3.46Å; F1763-A1779 VanDerWaalsContact CZ-CB 3.46Å; F1763-A1779 PolarHBondContact N-O 3.05Å; F1763-A1779 PolarHBondContact O-N 3.39Å; A1779-W1786 HydrophobicContact CB-CD2 3.77Å; A1779-W1786 HydrophobicContact CB-CE3 4.38Å; A1779-W1786 HydrophobicContact CB-CG 3.92Å; A1779-W1786 HydrophobicContact CB-CZ2 4.22Å |
| 1780 | N | 90.7 | Very high | 88.5 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.7 | 169.7 | -172 | -37.2 | 0 | 0 | 0 | 109.5 | Q1782 S1783 R1784 E1785 | N1780-Q1782 PolarHBondContact OD1-N 3.49Å; N1780-S1783 WeakPolarHBondContact CB-OG 3.42Å; N1780-S1783 PolarHBondContact ND2-OG 2.77Å; N1780-S1783 PolarHBondContact OD1-N 3.34Å; N1780-S1783 PolarHBondContact OD1-OG 2.9Å; N1780-R1784 CarbonylContact O-C 3.51Å; N1780-R1784 VanDerWaalsContact O-CA 3.24Å; N1780-R1784 WeakPolarHBondContact O-CA 3.4Å; N1780-R1784 PolarHBondContact O-N 2.79Å; N1780-E1785 WeakPolarHBondContact CB-O 3.32Å; N1780-E1785 PolarHBondContact N-O 3.26Å |
| 1781 | M | 83.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82.1 | -36 | -178.6 | -63.4 | -83.7 | -66.9 | 0 | 0 | 112.1 | L1756 A1760 K1761 F1763 L1808 | L1756-M1781 HydrophobicContact CD1-CE 3.41Å; L1756-M1781 VanDerWaalsContact CD1-CE 3.41Å; L1756-M1781 HydrophobicContact CD1-SD 3.96Å; A1760-M1781 WeakPolarHBondContact O-CB 3.46Å; K1761-M1781 VanDerWaalsContact O-CB 3.27Å; K1761-M1781 WeakPolarHBondContact O-CB 3.37Å; K1761-M1781 PolarHBondContact O-N 3.06Å; F1763-M1781 HydrophobicContact CD1-SD 4.42Å; F1763-M1781 HydrophobicContact CE1-SD 4.3Å; M1781-L1808 HydrophobicContact CE-CB 3.56Å; M1781-L1808 WeakPolarHBondContact CE-O 3.29Å; M1781-L1808 HydrophobicContact SD-CB 3.82Å; M1781-L1808 HydrophobicContact SD-CD1 4.07Å |
| 1782 | Q | 81.8 | Confident | 88.9 | Confident | 127 Ų | 127 | 47.2 Ų | 47.2 | 59% | 0.593 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -75.8 | -49.6 | -175.8 | -66.5 | 178.8 | -68.6 | 0 | 0 | 111.6 | K1761 N1780 R1784 | K1761-Q1782 HydrophobicContact CB-CG 4.47Å; K1761-Q1782 HydrophobicContact CG-CG 4.3Å; N1780-Q1782 PolarHBondContact OD1-N 3.49Å; Q1782-R1784 VanDerWaalsContact C-N 3.28Å |
| 1783 | S | 84.5 | Confident | 88.9 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -78.2 | -15.4 | 175.4 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | N1780 E1785 | N1780-S1783 WeakPolarHBondContact CB-OG 3.42Å; N1780-S1783 PolarHBondContact ND2-OG 2.77Å; N1780-S1783 PolarHBondContact OD1-N 3.34Å; N1780-S1783 PolarHBondContact OD1-OG 2.9Å; S1783-E1785 PolarHBondContact O-N 2.89Å; S1783-E1785 VanDerWaalsContact O-N 3.15Å; S1783-E1785 WeakPolarHBondContact OG-CB 3.48Å; S1783-E1785 PolarHBondContact OG-N 3.13Å; S1783-E1785 VanDerWaalsContact OG-N 3.17Å |
| 1784 | R | 82.8 | Confident | 88.3 | Confident | 136 Ų | 136 | 47.8 Ų | 47.8 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | trans | 60.6 | 6.6 | -168.3 | -51 | -178.7 | -173.6 | 169.1 | 3.8 | 114.6 | N1780 Q1782 N1803 C1804 | N1780-R1784 CarbonylContact O-C 3.51Å; N1780-R1784 VanDerWaalsContact O-CA 3.24Å; N1780-R1784 WeakPolarHBondContact O-CA 3.4Å; N1780-R1784 PolarHBondContact O-N 2.79Å; Q1782-R1784 VanDerWaalsContact C-N 3.28Å; R1784-N1803 WeakPolarHBondContact O-CA 3.31Å; R1784-C1804 PolarHBondContact O-N 2.7Å | ||
| 1785 | E | 87.3 | Confident | 87.8 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121.5 | 177 | -170.6 | -176.3 | -158.3 | 0 | 0 | 110.2 | N1780 S1783 K1801 | N1780-E1785 WeakPolarHBondContact CB-O 3.32Å; N1780-E1785 PolarHBondContact N-O 3.26Å; S1783-E1785 PolarHBondContact O-N 2.89Å; S1783-E1785 VanDerWaalsContact O-N 3.15Å; S1783-E1785 WeakPolarHBondContact OG-CB 3.48Å; S1783-E1785 PolarHBondContact OG-N 3.13Å; S1783-E1785 VanDerWaalsContact OG-N 3.17Å; E1785-K1801 VanDerWaalsContact CD-NZ 3.26Å; E1785-K1801 WeakPolarHBondContact OE1-CB 3.38Å; E1785-K1801 WeakPolarHBondContact OE1-CD 3.47Å; E1785-K1801 WeakPolarHBondContact OE1-CE 3.28Å; E1785-K1801 VanDerWaalsContact OE1-CG 3.22Å; E1785-K1801 WeakPolarHBondContact OE1-CG 3.12Å; E1785-K1801 IonicContact OE1-NZ 2.71Å; E1785-K1801 PolarHBondContact OE1-NZ 3.2Å; E1785-K1801 IonicContact OE2-NZ 2.7Å; E1785-K1801 PolarHBondContact OE2-NZ 2.95Å |
| 1786 | W | 92.2 | Very high | 87.4 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.6 | 177.1 | -71.6 | 26.8 | 0 | 0 | 0 | 108.8 | F1763 L1777 D1778 A1779 K1801 F1802 C1804 L1808 L1816 L1829 | F1763-W1786 HydrophobicContact CE1-CH2 4.38Å; F1763-W1786 HydrophobicContact CE1-CZ2 4.08Å; F1763-W1786 AromaticContact CZ-CH2 3.84Å; F1763-W1786 HydrophobicContact CZ-CH2 3.84Å; F1763-W1786 AromaticContact CZ-CZ2 3.96Å; F1763-W1786 HydrophobicContact CZ-CZ2 3.96Å; F1763-W1786 HydrophobicContact CZ-CZ3 4.38Å; L1777-W1786 HydrophobicContact CD1-CB 4.17Å; L1777-W1786 HydrophobicContact CD1-CE3 3.97Å; L1777-W1786 HydrophobicContact CD2-CE3 4.05Å; L1777-W1786 HydrophobicContact CD2-CZ3 4.11Å; D1778-W1786 CarbonylContact O-C 3.26Å; D1778-W1786 WeakPolarHBondContact O-CA 2.92Å; A1779-W1786 HydrophobicContact CB-CD2 3.77Å; A1779-W1786 HydrophobicContact CB-CE3 4.38Å; A1779-W1786 HydrophobicContact CB-CG 3.92Å; A1779-W1786 HydrophobicContact CB-CZ2 4.22Å; W1786-K1801 CarbonylContact O-C 3.48Å; W1786-K1801 WeakPolarHBondContact O-CA 3.12Å; W1786-F1802 HydrophobicContact CB-CD1 4.3Å; W1786-F1802 HydrophobicContact CB-CD2 4.38Å; W1786-F1802 HydrophobicContact CB-CE1 3.86Å; W1786-F1802 HydrophobicContact CB-CE2 3.95Å; W1786-F1802 HydrophobicContact CB-CZ 3.67Å; W1786-F1802 HydrophobicContact CE3-CE2 4.17Å; W1786-F1802 AromaticContact CE3-CZ 3.97Å; W1786-F1802 HydrophobicContact CE3-CZ 3.97Å; W1786-F1802 HydrophobicContact CG-CZ 4.47Å; W1786-F1802 PolarHBondContact N-O 3.31Å; W1786-F1802 WeakPolarHBondContact O-CD1 3.21Å; W1786-F1802 PolarHBondContact O-N 2.93Å; W1786-C1804 HydrophobicContact CD2-CB 3.76Å; W1786-C1804 HydrophobicContact CE3-CB 4.4Å; W1786-C1804 HydrophobicContact CG-CB 3.93Å; W1786-C1804 HydrophobicContact CZ2-CB 4.07Å; W1786-L1808 HydrophobicContact CH2-CD1 4.15Å; W1786-L1808 HydrophobicContact CZ2-CD1 3.81Å; W1786-L1816 HydrophobicContact CZ3-CD1 4.23Å; W1786-L1829 HydrophobicContact CH2-CD1 4.28Å; W1786-L1829 HydrophobicContact CH2-CD2 3.84Å; W1786-L1829 HydrophobicContact CZ2-CD2 4.45Å |
| 1787 | M | 91.7 | Very high | 86.4 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 20% | 0.197 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 118.3 | -172.6 | -166.8 | -171.6 | -41.7 | 0 | 0 | 110.9 | L1777 D1778 Q1799 V1800 K1801 | L1777-M1787 WeakPolarHBondContact CA-O 3.36Å; D1778-M1787 HydrophobicContact CB-CB 4.42Å; D1778-M1787 PolarHBondContact N-O 3.16Å; D1778-M1787 PolarHBondContact O-N 3.48Å; M1787-Q1799 HydrophobicContact CG-CB 4.2Å; M1787-Q1799 HydrophobicContact CG-CG 4.42Å; M1787-Q1799 HydrophobicContact SD-CB 4.09Å; M1787-Q1799 VanDerWaalsContact SD-CD 3.53Å; M1787-Q1799 HydrophobicContact SD-CG 3.84Å; M1787-V1800 WeakPolarHBondContact CA-O 3.14Å; M1787-K1801 HydrophobicContact CB-CG 4.47Å; M1787-K1801 HydrophobicContact CE-CG 4.39Å; M1787-K1801 HydrophobicContact CG-CG 4Å |
| 1788 | L | 92.5 | Very high | 85 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.7 | 176 | -138.8 | 75.4 | 0 | 0 | 0 | 110.2 | W1775 R1776 L1777 K1798 Q1799 V1800 L1835 Y1838 | W1775-L1788 HydrophobicContact CZ2-CD1 3.82Å; W1775-L1788 HydrophobicContact CZ2-CD2 3.87Å; W1775-L1788 HydrophobicContact CZ2-CG 4.13Å; R1776-L1788 CarbonylContact O-C 3.6Å; R1776-L1788 WeakPolarHBondContact O-CA 3.24Å; L1777-L1788 HydrophobicContact CB-CD1 3.84Å; L1777-L1788 HydrophobicContact CD1-CD1 3.73Å; L1777-L1788 HydrophobicContact CG-CD1 4.3Å; L1788-K1798 VanDerWaalsContact O-O 3.08Å; L1788-Q1799 CarbonylContact O-C 3.59Å; L1788-Q1799 VanDerWaalsContact O-CA 3.3Å; L1788-Q1799 WeakPolarHBondContact O-CA 2.91Å; L1788-V1800 HydrophobicContact CB-CB 4.35Å; L1788-V1800 PolarHBondContact N-O 2.92Å; L1788-V1800 PolarHBondContact O-N 2.57Å; L1788-L1835 HydrophobicContact CD2-CD2 3.88Å; L1788-Y1838 HydrophobicContact CB-CE2 4.3Å; L1788-Y1838 HydrophobicContact CD2-CD1 3.69Å; L1788-Y1838 HydrophobicContact CD2-CD2 3.59Å; L1788-Y1838 HydrophobicContact CD2-CE1 4.04Å; L1788-Y1838 HydrophobicContact CD2-CE2 3.91Å; L1788-Y1838 HydrophobicContact CD2-CG 3.45Å; L1788-Y1838 VanDerWaalsContact CD2-CG 3.45Å |
| 1789 | S | 91.1 | Very high | 83.8 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.2 | -176.1 | -57 | 0 | 0 | 0 | 0 | 111.6 | R1776 | R1776-S1789 PolarHBondContact N-O 3.26Å; R1776-S1789 PolarHBondContact O-N 2.96Å |
| 1790 | S | 90.8 | Very high | 83.2 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.9 | 174.8 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | I1774 W1796 K1797 Y1838 | I1774-S1790 CarbonylContact O-C 3.53Å; I1774-S1790 WeakPolarHBondContact O-CA 3.33Å; S1790-W1796 CarbonylContact O-C 3.55Å; S1790-K1797 PolarHBondContact N-O 3.39Å; S1790-K1797 VanDerWaalsContact N-O 3.08Å; S1790-K1797 PolarHBondContact O-N 3.21Å; S1790-Y1838 WeakPolarHBondContact OG-CE1 3.44Å; S1790-Y1838 PolarHBondContact OG-OH 3.34Å |
| 1791 | R | 89.3 | Confident | 83.1 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.4 | 171.2 | -155.9 | -179.5 | -175.7 | -167.6 | -3.3 | 109.5 | T1773 I1774 G1794 A1795 W1796 | T1773-R1791 VanDerWaalsContact CA-O 3.23Å; T1773-R1791 WeakPolarHBondContact CA-O 3.46Å; T1773-R1791 WeakPolarHBondContact CB-O 3.39Å; I1774-R1791 HydrophobicContact CB-CB 3.95Å; I1774-R1791 HydrophobicContact CG1-CB 4.38Å; I1774-R1791 PolarHBondContact N-O 2.76Å; I1774-R1791 PolarHBondContact O-N 3.42Å; R1791-G1794 VanDerWaalsContact CZ-O 3.3Å; R1791-G1794 PolarHBondContact NE-O 3.31Å; R1791-G1794 PolarHBondContact NH2-O 3.45Å; R1791-A1795 CarbonylContact C-O 3.57Å; R1791-A1795 VanDerWaalsContact CA-O 3.3Å; R1791-A1795 WeakPolarHBondContact CA-O 3.38Å; R1791-A1795 WeakPolarHBondContact CG-O 3.23Å; R1791-W1796 HydrophobicContact CB-CD2 3.88Å; R1791-W1796 HydrophobicContact CB-CE3 3.73Å; R1791-W1796 HydrophobicContact CB-CH2 4Å; R1791-W1796 HydrophobicContact CB-CZ2 4.15Å; R1791-W1796 HydrophobicContact CB-CZ3 3.8Å; R1791-W1796 HydrophobicContact CG-CD2 4Å; R1791-W1796 HydrophobicContact CG-CE3 4.37Å; R1791-W1796 HydrophobicContact CG-CG 4.32Å; R1791-W1796 HydrophobicContact CG-CZ2 4.36Å |
| 1792 | I | 81.8 | Confident | 83.4 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.6 | 179.3 | -54.6 | 178.3 | 0 | 0 | 0 | 107.9 | T1773 G1794 A1795 P1841 | T1773-I1792 HydrophobicContact CG2-CB 4.45Å; T1773-I1792 HydrophobicContact CG2-CG1 4.22Å; T1773-I1792 HydrophobicContact CG2-CG2 4.24Å; I1792-G1794 VanDerWaalsContact C-N 3.26Å; I1792-G1794 PolarHBondContact O-N 3.04Å; I1792-A1795 PolarHBondContact N-O 3.19Å; I1792-A1795 PolarHBondContact O-N 3.06Å; I1792-A1795 VanDerWaalsContact O-N 3.12Å; I1792-P1841 HydrophobicContact CD1-CB 3.89Å; I1792-P1841 HydrophobicContact CG1-CB 3.84Å |
| 1793 | N | 78.2 | Confident | 83.5 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 47.1 | -177.5 | -60.2 | 0.7 | 0 | 0 | 0 | 112.6 | A1795 | N1793-A1795 PolarHBondContact O-N 2.66Å; N1793-A1795 VanDerWaalsContact O-N 3.15Å |
| 1794 | G | 77.4 | Confident | 83.4 | Confident | 44 Ų | 44 | 71 Ų | 71 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -21.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1791 I1792 | R1791-G1794 VanDerWaalsContact CZ-O 3.3Å; R1791-G1794 PolarHBondContact NE-O 3.31Å; R1791-G1794 PolarHBondContact NH2-O 3.45Å; I1792-G1794 VanDerWaalsContact C-N 3.26Å; I1792-G1794 PolarHBondContact O-N 3.04Å |
| 1795 | A | 80.4 | Confident | 82.9 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1791 I1792 N1793 | R1791-A1795 CarbonylContact C-O 3.57Å; R1791-A1795 VanDerWaalsContact CA-O 3.3Å; R1791-A1795 WeakPolarHBondContact CA-O 3.38Å; R1791-A1795 WeakPolarHBondContact CG-O 3.23Å; I1792-A1795 PolarHBondContact N-O 3.19Å; I1792-A1795 PolarHBondContact O-N 3.06Å; I1792-A1795 VanDerWaalsContact O-N 3.12Å; N1793-A1795 PolarHBondContact O-N 2.66Å; N1793-A1795 VanDerWaalsContact O-N 3.15Å |
| 1796 | W | 83.1 | Confident | 82.1 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.4 | 171.9 | -69.7 | 101 | 0 | 0 | 0 | 110.9 | I1774 R1776 S1790 R1791 | I1774-W1796 HydrophobicContact CG2-CH2 4.36Å; R1776-W1796 HydrophobicContact CB-CH2 3.92Å; R1776-W1796 HydrophobicContact CB-CZ3 3.8Å; S1790-W1796 CarbonylContact O-C 3.55Å; R1791-W1796 HydrophobicContact CB-CD2 3.88Å; R1791-W1796 HydrophobicContact CB-CE3 3.73Å; R1791-W1796 HydrophobicContact CB-CH2 4Å; R1791-W1796 HydrophobicContact CB-CZ2 4.15Å; R1791-W1796 HydrophobicContact CB-CZ3 3.8Å; R1791-W1796 HydrophobicContact CG-CD2 4Å; R1791-W1796 HydrophobicContact CG-CE3 4.37Å; R1791-W1796 HydrophobicContact CG-CG 4.32Å; R1791-W1796 HydrophobicContact CG-CZ2 4.36Å |
| 1797 | K | 73.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 154.2 | -180 | -69.1 | -174 | 175.6 | -176.9 | 0 | 110.6 | S1790 | S1790-K1797 PolarHBondContact N-O 3.39Å; S1790-K1797 VanDerWaalsContact N-O 3.08Å; S1790-K1797 PolarHBondContact O-N 3.21Å |
| 1798 | K | 64.3 | Low | 79.9 | Confident | 174 Ų | 174 | 72.4 Ų | 72.4 | 76% | 0.757 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 39.6 | 86.1 | 177.3 | -81.5 | -167.8 | 172.4 | -176.4 | 0 | 114.7 | L1788 V1800 Y1838 | L1788-K1798 VanDerWaalsContact O-O 3.08Å; K1798-V1800 PolarHBondContact O-N 2.61Å; K1798-Y1838 PolarHBondContact O-OH 3.05Å |
| 1799 | Q | 68.3 | Low | 78.6 | Confident | 130 Ų | 130 | 75 Ų | 75 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 112 | 160.1 | -69.6 | -178.1 | -17.3 | 0 | 0 | 109.4 | M1787 L1788 | M1787-Q1799 HydrophobicContact CG-CB 4.2Å; M1787-Q1799 HydrophobicContact CG-CG 4.42Å; M1787-Q1799 HydrophobicContact SD-CB 4.09Å; M1787-Q1799 VanDerWaalsContact SD-CD 3.53Å; M1787-Q1799 HydrophobicContact SD-CG 3.84Å; L1788-Q1799 CarbonylContact O-C 3.59Å; L1788-Q1799 VanDerWaalsContact O-CA 3.3Å; L1788-Q1799 WeakPolarHBondContact O-CA 2.91Å |
| 1800 | V | 81.8 | Confident | 77 | Confident | 50 Ų | 50 | 76 Ų | 76 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 104.1 | 169.5 | 173.6 | 0 | 0 | 0 | 0 | 107.9 | M1787 L1788 K1798 Y1838 | M1787-V1800 WeakPolarHBondContact CA-O 3.14Å; L1788-V1800 HydrophobicContact CB-CB 4.35Å; L1788-V1800 PolarHBondContact N-O 2.92Å; L1788-V1800 PolarHBondContact O-N 2.57Å; K1798-V1800 PolarHBondContact O-N 2.61Å; V1800-Y1838 HydrophobicContact CB-CD2 4.42Å; V1800-Y1838 HydrophobicContact CB-CE2 4.19Å; V1800-Y1838 HydrophobicContact CG2-CD2 4.01Å; V1800-Y1838 HydrophobicContact CG2-CE2 3.71Å |
| 1801 | K | 88 | Confident | 75.4 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134 | 171.3 | -73.7 | 162.7 | 158.6 | -94.4 | 0 | 109.4 | E1785 W1786 M1787 | E1785-K1801 VanDerWaalsContact CD-NZ 3.26Å; E1785-K1801 WeakPolarHBondContact OE1-CB 3.38Å; E1785-K1801 WeakPolarHBondContact OE1-CD 3.47Å; E1785-K1801 WeakPolarHBondContact OE1-CE 3.28Å; E1785-K1801 VanDerWaalsContact OE1-CG 3.22Å; E1785-K1801 WeakPolarHBondContact OE1-CG 3.12Å; E1785-K1801 IonicContact OE1-NZ 2.71Å; E1785-K1801 PolarHBondContact OE1-NZ 3.2Å; E1785-K1801 IonicContact OE2-NZ 2.7Å; E1785-K1801 PolarHBondContact OE2-NZ 2.95Å; W1786-K1801 CarbonylContact O-C 3.48Å; W1786-K1801 WeakPolarHBondContact O-CA 3.12Å; M1787-K1801 HydrophobicContact CB-CG 4.47Å; M1787-K1801 HydrophobicContact CE-CG 4.39Å; M1787-K1801 HydrophobicContact CG-CG 4Å |
| 1802 | F | 89.2 | Confident | 74.7 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 11% | 0.114 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.2 | 174.4 | 65.7 | -79.8 | 0 | 0 | 0 | 110.6 | L1777 W1786 L1827 V1834 L1835 | L1777-F1802 HydrophobicContact CD1-CE1 4.46Å; L1777-F1802 HydrophobicContact CD1-CZ 4.39Å; W1786-F1802 HydrophobicContact CB-CD1 4.3Å; W1786-F1802 HydrophobicContact CB-CD2 4.38Å; W1786-F1802 HydrophobicContact CB-CE1 3.86Å; W1786-F1802 HydrophobicContact CB-CE2 3.95Å; W1786-F1802 HydrophobicContact CB-CZ 3.67Å; W1786-F1802 HydrophobicContact CE3-CE2 4.17Å; W1786-F1802 AromaticContact CE3-CZ 3.97Å; W1786-F1802 HydrophobicContact CE3-CZ 3.97Å; W1786-F1802 HydrophobicContact CG-CZ 4.47Å; W1786-F1802 PolarHBondContact N-O 3.31Å; W1786-F1802 WeakPolarHBondContact O-CD1 3.21Å; W1786-F1802 PolarHBondContact O-N 2.93Å; F1802-L1827 HydrophobicContact CZ-CD2 4.07Å; F1802-V1834 HydrophobicContact CE2-CB 4.45Å; F1802-V1834 HydrophobicContact CE2-CG2 4.46Å; F1802-L1835 HydrophobicContact CD1-CD1 4.48Å; F1802-L1835 HydrophobicContact CD1-CD2 4.43Å; F1802-L1835 HydrophobicContact CE1-CD2 4.24Å; F1802-L1835 HydrophobicContact CE2-CB 4.48Å; F1802-L1835 HydrophobicContact CG-CD1 4.41Å; F1802-L1835 HydrophobicContact CZ-CB 4.48Å |
| 1803 | N | 85.2 | Confident | 74.8 | Confident | 117 Ų | 117 | 76.6 Ų | 76.6 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.3 | 178.9 | -71.4 | -14 | 0 | 0 | 0 | 110.4 | R1784 F1805 | R1784-N1803 WeakPolarHBondContact O-CA 3.31Å; N1803-F1805 PolarHBondContact O-N 3.44Å |
| 1804 | C | 81.5 | Confident | 75.4 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.027 | 38% | 0.381 | C | S | . | . | trans | -76.3 | 107.4 | 177.3 | -167 | 0 | 0 | 0 | 0 | 110.1 | R1784 W1786 V1806 | R1784-C1804 PolarHBondContact O-N 2.7Å; W1786-C1804 HydrophobicContact CD2-CB 3.76Å; W1786-C1804 HydrophobicContact CE3-CB 4.4Å; W1786-C1804 HydrophobicContact CG-CB 3.93Å; W1786-C1804 HydrophobicContact CZ2-CB 4.07Å; C1804-V1806 PolarHBondContact O-N 2.7Å | ||
| 1805 | F | 73.7 | Confident | 76.1 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 55% | 0.553 | 38% | 0.381 | S | S | * | . | trans | -73.3 | -6 | -179.4 | 57.4 | -95.5 | 0 | 0 | 0 | 113.9 | N1803 P1807 V1834 | N1803-F1805 PolarHBondContact O-N 3.44Å; F1805-P1807 WeakPolarHBondContact O-CD 3.24Å; F1805-V1834 HydrophobicContact CE1-CG1 4.34Å; F1805-V1834 HydrophobicContact CZ-CG1 4.16Å | ||
| 1806 | V | 70.3 | Confident | 76.7 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -91.3 | 109.7 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | C1804 L1808 L1829 V1834 | C1804-V1806 PolarHBondContact O-N 2.7Å; V1806-L1808 PolarHBondContact O-N 2.94Å; V1806-L1808 VanDerWaalsContact O-N 3.15Å; V1806-L1829 HydrophobicContact CB-CD2 3.79Å; V1806-L1829 HydrophobicContact CG1-CD2 3.92Å; V1806-L1829 HydrophobicContact CG2-CD2 4.23Å; V1806-V1834 HydrophobicContact CG2-CG1 4.2Å |
| 1807 | P | 64.8 | Low | 77.2 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | trans | -69.6 | 113.3 | 176.8 | 28.6 | -33.5 | 0 | 0 | 0 | 110 | F1805 | F1805-P1807 WeakPolarHBondContact O-CD 3.24Š| ||
| 1808 | L | 73.1 | Confident | 78.1 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 126.2 | 164.9 | -62.1 | 177.2 | 0 | 0 | 0 | 108.1 | L1756 F1763 M1781 W1786 V1806 F1814 L1829 | L1756-L1808 HydrophobicContact CD1-CB 4.22Å; F1763-L1808 HydrophobicContact CE1-CD1 4.31Å; M1781-L1808 HydrophobicContact CE-CB 3.56Å; M1781-L1808 WeakPolarHBondContact CE-O 3.29Å; M1781-L1808 HydrophobicContact SD-CB 3.82Å; M1781-L1808 HydrophobicContact SD-CD1 4.07Å; W1786-L1808 HydrophobicContact CH2-CD1 4.15Å; W1786-L1808 HydrophobicContact CZ2-CD1 3.81Å; V1806-L1808 PolarHBondContact O-N 2.94Å; V1806-L1808 VanDerWaalsContact O-N 3.15Å; L1808-F1814 HydrophobicContact CD1-CD1 3.93Å; L1808-F1814 HydrophobicContact CD1-CE1 3.66Å; L1808-F1814 HydrophobicContact CD1-CE2 4.34Å; L1808-F1814 HydrophobicContact CD1-CG 4.38Å; L1808-F1814 HydrophobicContact CD1-CZ 3.87Å; L1808-F1814 HydrophobicContact CD2-CB 4.18Å; L1808-F1814 HydrophobicContact CD2-CD1 3.93Å; L1808-F1814 HydrophobicContact CD2-CG 4.05Å; L1808-L1829 HydrophobicContact CD1-CD2 4.47Å; L1808-L1829 HydrophobicContact CD2-CD2 4.36Å; L1808-L1829 HydrophobicContact CG-CD2 4.49Å |
| 1809 | A | 63.8 | Low | 79.3 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 157.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1812 | A1809-N1812 WeakPolarHBondContact O-CB 3.08Š|
| 1810 | G | 57.8 | Low | 80.3 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 156.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1757 N1812 | N1757-G1810 CarbonylContact O-C 3.54Å; N1757-G1810 WeakPolarHBondContact O-CA 3.33Å; G1810-N1812 PolarHBondContact O-N 3.26Å; G1810-N1812 VanDerWaalsContact O-N 3.12Å |
| 1811 | G | 56.5 | Low | 80.3 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -19.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1756 N1757 | L1756-G1811 VanDerWaalsContact O-CA 3.28Å; L1756-G1811 WeakPolarHBondContact O-CA 3.21Å; L1756-G1811 PolarHBondContact O-N 2.87Å; N1757-G1811 PolarHBondContact O-N 3.02Å |
| 1812 | N | 76 | Confident | 79.9 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | trans | -67.1 | 145.1 | 177.9 | -76.4 | -19.3 | 0 | 0 | 0 | 112.6 | L1756 A1809 G1810 | L1756-N1812 PolarHBondContact N-O 3.47Å; A1809-N1812 WeakPolarHBondContact O-CB 3.08Å; G1810-N1812 PolarHBondContact O-N 3.26Å; G1810-N1812 VanDerWaalsContact O-N 3.12Å | ||
| 1813 | V | 84.6 | Confident | 79.3 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.2 | 162.6 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | T1753 I1754 | T1753-V1813 HydrophobicContact CG2-CG1 3.49Å; T1753-V1813 VanDerWaalsContact CG2-CG1 3.49Å; I1754-V1813 CarbonylContact O-C 3.59Å; I1754-V1813 VanDerWaalsContact O-CA 3.31Å; I1754-V1813 WeakPolarHBondContact O-CA 3.14Å |
| 1814 | F | 89.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.5 | 177 | 66.2 | -93.6 | 0 | 0 | 0 | 112.2 | T1753 I1754 L1756 F1763 L1808 L1816 L1829 | T1753-F1814 WeakPolarHBondContact CA-O 3.42Å; I1754-F1814 HydrophobicContact CB-CD1 4.49Å; I1754-F1814 HydrophobicContact CB-CE1 3.93Å; I1754-F1814 HydrophobicContact CB-CE2 3.99Å; I1754-F1814 HydrophobicContact CB-CZ 3.67Å; I1754-F1814 HydrophobicContact CD1-CE2 3.96Å; I1754-F1814 HydrophobicContact CD1-CZ 3.88Å; I1754-F1814 HydrophobicContact CG1-CE2 4.25Å; I1754-F1814 HydrophobicContact CG1-CZ 4.23Å; I1754-F1814 HydrophobicContact CG2-CE1 4.02Å; I1754-F1814 HydrophobicContact CG2-CZ 3.93Å; I1754-F1814 PolarHBondContact N-O 3.01Å; I1754-F1814 PolarHBondContact O-N 3.49Å; L1756-F1814 HydrophobicContact CD1-CD1 4.31Å; L1756-F1814 HydrophobicContact CD1-CE1 3.83Å; L1756-F1814 HydrophobicContact CD2-CE1 4.08Å; L1756-F1814 HydrophobicContact CG-CD1 4.41Å; L1756-F1814 HydrophobicContact CG-CE1 3.79Å; F1763-F1814 HydrophobicContact CD1-CZ 4.48Å; F1763-F1814 HydrophobicContact CE1-CE1 4.42Å; F1763-F1814 AromaticContact CE1-CZ 3.77Å; F1763-F1814 HydrophobicContact CE1-CZ 3.77Å; F1763-F1814 HydrophobicContact CE2-CZ 4.14Å; F1763-F1814 HydrophobicContact CZ-CE2 4.15Å; F1763-F1814 AromaticContact CZ-CZ 3.58Å; F1763-F1814 HydrophobicContact CZ-CZ 3.58Å; L1808-F1814 HydrophobicContact CD1-CD1 3.93Å; L1808-F1814 HydrophobicContact CD1-CE1 3.66Å; L1808-F1814 HydrophobicContact CD1-CE2 4.34Å; L1808-F1814 HydrophobicContact CD1-CG 4.38Å; L1808-F1814 HydrophobicContact CD1-CZ 3.87Å; L1808-F1814 HydrophobicContact CD2-CB 4.18Å; L1808-F1814 HydrophobicContact CD2-CD1 3.93Å; L1808-F1814 HydrophobicContact CD2-CG 4.05Å; F1814-L1816 HydrophobicContact CE2-CB 4.25Å; F1814-L1829 HydrophobicContact CB-CD1 4.37Å; F1814-L1829 HydrophobicContact CD2-CD1 3.3Å; F1814-L1829 HydrophobicContact CE2-CD1 3.76Å; F1814-L1829 HydrophobicContact CG-CD1 4.05Å |
| 1815 | H | 91.8 | Very high | 79.6 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.6 | 175.8 | -55.5 | -70.6 | 0 | 0 | 0 | 110.4 | I1752 T1753 N1830 | I1752-H1815 CarbonylContact O-C 3.6Å; I1752-H1815 WeakPolarHBondContact O-CA 3.17Å; T1753-H1815 PolarHBondContact OG1-CE1 3.47Å; T1753-H1815 PolarHBondContact OG1-ND1 3.03Å; H1815-N1830 PolarHBondContact N-OD1 2.93Å; H1815-N1830 PolarHBondContact O-N 2.82Å |
| 1816 | L | 94 | Very high | 80.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.5 | 172.7 | -175.4 | 73.3 | 0 | 0 | 0 | 108.4 | I1752 V1765 L1777 W1786 F1814 L1827 L1828 L1829 | I1752-L1816 HydrophobicContact CB-CB 4.46Å; I1752-L1816 PolarHBondContact N-O 2.87Å; I1752-L1816 PolarHBondContact O-N 2.93Å; V1765-L1816 HydrophobicContact CG2-CD2 4.26Å; L1777-L1816 HydrophobicContact CD2-CD2 3.7Å; W1786-L1816 HydrophobicContact CZ3-CD1 4.23Å; F1814-L1816 HydrophobicContact CE2-CB 4.25Å; L1816-L1827 HydrophobicContact CD1-CD1 3.82Å; L1816-L1827 HydrophobicContact CD1-CD2 4.27Å; L1816-L1827 HydrophobicContact CD1-CG 3.96Å; L1816-L1827 HydrophobicContact CD2-CD1 4.48Å; L1816-L1827 HydrophobicContact CG-CD1 4.06Å; L1816-L1828 WeakPolarHBondContact CA-O 3.49Å; L1816-L1829 HydrophobicContact CD1-CD1 4.24Å |
| 1817 | T | 93.6 | Very high | 81.4 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.2 | -179.4 | -63 | 0 | 0 | 0 | 0 | 109.7 | I1750 R1751 L1828 | I1750-T1817 CarbonylContact O-C 3.58Å; I1750-T1817 WeakPolarHBondContact O-CA 3.39Å; R1751-T1817 HydrophobicContact CG-CG2 4.26Å; T1817-L1828 HydrophobicContact CG2-CD1 4.43Å; T1817-L1828 PolarHBondContact N-O 2.86Å; T1817-L1828 PolarHBondContact O-N 3.22Å |
| 1818 | A | 92.2 | Very high | 82.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 105.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A1749 I1750 W1775 A1825 N1826 L1827 | A1749-A1818 VanDerWaalsContact CA-O 3.3Å; A1749-A1818 WeakPolarHBondContact CA-O 3.34Å; I1750-A1818 HydrophobicContact CB-CB 4.27Å; I1750-A1818 PolarHBondContact N-O 3.33Å; I1750-A1818 PolarHBondContact O-N 2.88Å; W1775-A1818 HydrophobicContact CH2-CB 3.96Å; W1775-A1818 HydrophobicContact CZ3-CB 4.36Å; A1818-A1825 HydrophobicContact CB-CB 4.41Å; A1818-N1826 WeakPolarHBondContact CA-O 3.3Å; A1818-L1827 HydrophobicContact CB-CD1 4.22Å |
| 1819 | S | 90.5 | Very high | 83.5 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.3 | 172.6 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | A1825 N1826 | S1819-A1825 CarbonylContact O-C 3.46Å; S1819-A1825 WeakPolarHBondContact O-CA 3.44Å; S1819-N1826 PolarHBondContact N-O 2.65Å; S1819-N1826 PolarHBondContact O-N 2.96Å; S1819-N1826 PolarHBondContact OG-O 2.96Å |
| 1820 | V | 88 | Confident | 84.6 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.4 | -172.7 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | L1747 R1748 F1824 A1825 L1840 | L1747-V1820 HydrophobicContact CD2-CG2 4.18Å; L1747-V1820 HydrophobicContact CG-CG2 4.15Å; L1747-V1820 WeakPolarHBondContact O-CG1 3.49Å; R1748-V1820 PolarHBondContact O-N 3.33Å; V1820-F1824 WeakPolarHBondContact CA-O 3.45Å; V1820-A1825 HydrophobicContact CG2-CB 4.38Å; V1820-L1840 HydrophobicContact CB-CD1 4.42Å; V1820-L1840 HydrophobicContact CG1-CD1 3.75Å; V1820-L1840 HydrophobicContact CG2-CD1 3.72Å |
| 1821 | E | 82.7 | Confident | 85.7 | Confident | 130 Ų | 130 | 49.8 Ų | 49.8 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.2 | -176.8 | -166.8 | 162.9 | -125.1 | 0 | 0 | 108 | G1823 F1824 | E1821-G1823 PolarHBondContact O-N 3.24Å; E1821-F1824 PolarHBondContact N-O 3.19Å; E1821-F1824 PolarHBondContact O-N 3.45Å; E1821-F1824 VanDerWaalsContact O-O 3.1Å |
| 1822 | D | 79.3 | Confident | 86.9 | Confident | 152 Ų | 152 | 56.3 Ų | 56.3 | 81% | 0.813 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 30 | -176.7 | -53.8 | -29.6 | 0 | 0 | 0 | 116 | F1824 | D1822-F1824 VanDerWaalsContact C-N 3.3Å; D1822-F1824 WeakPolarHBondContact O-CD2 2.96Å; D1822-F1824 PolarHBondContact O-N 2.73Å |
| 1823 | G | 77.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1821 L1840 | E1821-G1823 PolarHBondContact O-N 3.24Å; G1823-L1840 PolarHBondContact O-N 3.48Å |
| 1824 | F | 85.6 | Confident | 87.4 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 37% | 0.373 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.7 | 170.6 | -61.7 | -91.2 | 0 | 0 | 0 | 110.3 | V1820 E1821 D1822 Y1838 | V1820-F1824 WeakPolarHBondContact CA-O 3.45Å; E1821-F1824 PolarHBondContact N-O 3.19Å; E1821-F1824 PolarHBondContact O-N 3.45Å; E1821-F1824 VanDerWaalsContact O-O 3.1Å; D1822-F1824 VanDerWaalsContact C-N 3.3Å; D1822-F1824 WeakPolarHBondContact O-CD2 2.96Å; D1822-F1824 PolarHBondContact O-N 2.73Å; F1824-Y1838 CarbonylContact C-O 3.54Å; F1824-Y1838 WeakPolarHBondContact CA-O 3.4Å |
| 1825 | A | 87.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1818 S1819 V1820 K1837 Y1838 L1840 | A1818-A1825 HydrophobicContact CB-CB 4.41Å; S1819-A1825 CarbonylContact O-C 3.46Å; S1819-A1825 WeakPolarHBondContact O-CA 3.44Å; V1820-A1825 HydrophobicContact CG2-CB 4.38Å; A1825-K1837 CarbonylContact O-C 3.47Å; A1825-Y1838 PolarHBondContact N-O 2.97Å; A1825-Y1838 PolarHBondContact O-N 2.89Å; A1825-L1840 HydrophobicContact CB-CD1 4.15Å; A1825-L1840 HydrophobicContact CB-CD2 3.81Å; A1825-L1840 HydrophobicContact CB-CG 3.86Å |
| 1826 | N | 89.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.8 | 170.1 | -42.1 | -25 | 0 | 0 | 0 | 106.7 | A1818 S1819 L1828 S1836 | A1818-N1826 WeakPolarHBondContact CA-O 3.3Å; S1819-N1826 PolarHBondContact N-O 2.65Å; S1819-N1826 PolarHBondContact O-N 2.96Å; S1819-N1826 PolarHBondContact OG-O 2.96Å; N1826-L1828 WeakPolarHBondContact O-CD1 3.34Å; N1826-S1836 WeakPolarHBondContact CB-O 3.08Å; N1826-S1836 PolarHBondContact OD1-O 2.83Å |
| 1827 | L | 91.8 | Very high | 85.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.6 | -173.7 | -165.5 | 67.9 | 0 | 0 | 0 | 110.3 | W1775 L1777 F1802 L1816 A1818 T1833 V1834 L1835 | W1775-L1827 HydrophobicContact CH2-CD1 4.18Å; L1777-L1827 HydrophobicContact CD2-CD2 4.37Å; F1802-L1827 HydrophobicContact CZ-CD2 4.07Å; L1816-L1827 HydrophobicContact CD1-CD1 3.82Å; L1816-L1827 HydrophobicContact CD1-CD2 4.27Å; L1816-L1827 HydrophobicContact CD1-CG 3.96Å; L1816-L1827 HydrophobicContact CD2-CD1 4.48Å; L1816-L1827 HydrophobicContact CG-CD1 4.06Å; A1818-L1827 HydrophobicContact CB-CD1 4.22Å; L1827-T1833 WeakPolarHBondContact O-CA 3.18Å; L1827-V1834 HydrophobicContact CB-CG2 4.21Å; L1827-V1834 HydrophobicContact CD2-CG2 4.04Å; L1827-V1834 HydrophobicContact CG-CG2 3.97Å; L1827-V1834 WeakPolarHBondContact O-CG2 3.29Å; L1827-V1834 PolarHBondContact O-N 2.77Å; L1827-L1835 HydrophobicContact CB-CB 4.03Å; L1827-L1835 PolarHBondContact N-O 3.02Å; L1827-L1835 PolarHBondContact O-N 2.92Å |
| 1828 | L | 91.4 | Very high | 85.1 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136 | 178.9 | -52.5 | 95.3 | 0 | 0 | 0 | 110.7 | L1816 T1817 N1826 R1832 | L1816-L1828 WeakPolarHBondContact CA-O 3.49Å; T1817-L1828 HydrophobicContact CG2-CD1 4.43Å; T1817-L1828 PolarHBondContact N-O 2.86Å; T1817-L1828 PolarHBondContact O-N 3.22Å; N1826-L1828 WeakPolarHBondContact O-CD1 3.34Å; L1828-R1832 CarbonylContact C-O 3.58Å; L1828-R1832 VanDerWaalsContact CA-O 3.29Å; L1828-R1832 WeakPolarHBondContact CA-O 3.27Å |
| 1829 | L | 90.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.3 | 175.2 | -177.1 | 63.7 | 0 | 0 | 0 | 108.3 | W1786 V1806 L1808 F1814 L1816 N1831 R1832 V1834 | W1786-L1829 HydrophobicContact CH2-CD1 4.28Å; W1786-L1829 HydrophobicContact CH2-CD2 3.84Å; W1786-L1829 HydrophobicContact CZ2-CD2 4.45Å; V1806-L1829 HydrophobicContact CB-CD2 3.79Å; V1806-L1829 HydrophobicContact CG1-CD2 3.92Å; V1806-L1829 HydrophobicContact CG2-CD2 4.23Å; L1808-L1829 HydrophobicContact CD1-CD2 4.47Å; L1808-L1829 HydrophobicContact CD2-CD2 4.36Å; L1808-L1829 HydrophobicContact CG-CD2 4.49Å; F1814-L1829 HydrophobicContact CB-CD1 4.37Å; F1814-L1829 HydrophobicContact CD2-CD1 3.3Å; F1814-L1829 HydrophobicContact CE2-CD1 3.76Å; F1814-L1829 HydrophobicContact CG-CD1 4.05Å; L1816-L1829 HydrophobicContact CD1-CD1 4.24Å; L1829-N1831 VanDerWaalsContact C-N 3.25Å; L1829-N1831 PolarHBondContact O-N 2.83Å; L1829-R1832 PolarHBondContact N-O 2.8Å; L1829-R1832 PolarHBondContact O-N 2.88Å; L1829-V1834 HydrophobicContact CB-CG1 3.74Å; L1829-V1834 HydrophobicContact CB-CG2 4.18Å; L1829-V1834 HydrophobicContact CD2-CG1 4.29Å |
| 1830 | N | 86.4 | Confident | 84.4 | Confident | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 47.6 | -171.3 | -65.3 | -25.8 | 0 | 0 | 0 | 112.4 | H1815 R1832 | H1815-N1830 PolarHBondContact N-OD1 2.93Å; H1815-N1830 PolarHBondContact O-N 2.82Å; N1830-R1832 PolarHBondContact O-N 2.99Å |
| 1831 | N | 80.1 | Confident | 84.4 | Confident | 132 Ų | 132 | 63.1 Ų | 63.1 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 12.4 | -175.5 | -60.5 | -13.8 | 0 | 0 | 0 | 116.2 | L1829 | L1829-N1831 VanDerWaalsContact C-N 3.25Å; L1829-N1831 PolarHBondContact O-N 2.83Å |
| 1832 | R | 82.5 | Confident | 84.6 | Confident | 153 Ų | 153 | 57.6 Ų | 57.6 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125 | 168.1 | -62.2 | -175.4 | 179.1 | -171.4 | 0.4 | 110 | L1828 L1829 N1830 V1834 | L1828-R1832 CarbonylContact C-O 3.58Å; L1828-R1832 VanDerWaalsContact CA-O 3.29Å; L1828-R1832 WeakPolarHBondContact CA-O 3.27Å; L1829-R1832 PolarHBondContact N-O 2.8Å; L1829-R1832 PolarHBondContact O-N 2.88Å; N1830-R1832 PolarHBondContact O-N 2.99Å; R1832-V1834 PolarHBondContact O-N 3.13Å |
| 1833 | T | 85.7 | Confident | 84.7 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 122.6 | 176.3 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | L1827 | L1827-T1833 WeakPolarHBondContact O-CA 3.18Å |
| 1834 | V | 85.1 | Confident | 84.9 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -22.2 | 174.8 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | F1802 F1805 V1806 L1827 L1829 R1832 | F1802-V1834 HydrophobicContact CE2-CB 4.45Å; F1802-V1834 HydrophobicContact CE2-CG2 4.46Å; F1805-V1834 HydrophobicContact CE1-CG1 4.34Å; F1805-V1834 HydrophobicContact CZ-CG1 4.16Å; V1806-V1834 HydrophobicContact CG2-CG1 4.2Å; L1827-V1834 HydrophobicContact CB-CG2 4.21Å; L1827-V1834 HydrophobicContact CD2-CG2 4.04Å; L1827-V1834 HydrophobicContact CG-CG2 3.97Å; L1827-V1834 WeakPolarHBondContact O-CG2 3.29Å; L1827-V1834 PolarHBondContact O-N 2.77Å; L1829-V1834 HydrophobicContact CB-CG1 3.74Å; L1829-V1834 HydrophobicContact CB-CG2 4.18Å; L1829-V1834 HydrophobicContact CD2-CG1 4.29Å; R1832-V1834 PolarHBondContact O-N 3.13Å |
| 1835 | L | 83.9 | Confident | 85 | Confident | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 127.1 | 168.3 | -171.1 | 68.9 | 0 | 0 | 0 | 109.5 | L1788 F1802 L1827 | L1788-L1835 HydrophobicContact CD2-CD2 3.88Å; F1802-L1835 HydrophobicContact CD1-CD1 4.48Å; F1802-L1835 HydrophobicContact CD1-CD2 4.43Å; F1802-L1835 HydrophobicContact CE1-CD2 4.24Å; F1802-L1835 HydrophobicContact CE2-CB 4.48Å; F1802-L1835 HydrophobicContact CG-CD1 4.41Å; F1802-L1835 HydrophobicContact CZ-CB 4.48Å; L1827-L1835 HydrophobicContact CB-CB 4.03Å; L1827-L1835 PolarHBondContact N-O 3.02Å; L1827-L1835 PolarHBondContact O-N 2.92Å |
| 1836 | S | 75.5 | Confident | 84.7 | Confident | 89 Ų | 89 | 62.8 Ų | 62.8 | 62% | 0.622 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -32 | -162.9 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | N1826 | N1826-S1836 WeakPolarHBondContact CB-O 3.08Å; N1826-S1836 PolarHBondContact OD1-O 2.83Å |
| 1837 | K | 79.5 | Confident | 84.6 | Confident | 142 Ų | 142 | 65.3 Ų | 65.3 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 140.3 | 169.2 | -67.8 | -162.3 | 174.9 | -165.7 | 0 | 111.3 | A1825 | A1825-K1837 CarbonylContact O-C 3.47Å |
| 1838 | Y | 81.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.3 | 166.3 | -177.5 | -87.5 | 0 | 0 | 0 | 110.4 | W1775 L1788 S1790 K1798 V1800 F1824 A1825 | W1775-Y1838 AromaticContact CD1-CE1 3.63Å; W1775-Y1838 AromaticContact NE1-CD1 3.62Å; W1775-Y1838 AromaticContact NE1-CE1 3.5Å; L1788-Y1838 HydrophobicContact CB-CE2 4.3Å; L1788-Y1838 HydrophobicContact CD2-CD1 3.69Å; L1788-Y1838 HydrophobicContact CD2-CD2 3.59Å; L1788-Y1838 HydrophobicContact CD2-CE1 4.04Å; L1788-Y1838 HydrophobicContact CD2-CE2 3.91Å; L1788-Y1838 HydrophobicContact CD2-CG 3.45Å; L1788-Y1838 VanDerWaalsContact CD2-CG 3.45Å; S1790-Y1838 WeakPolarHBondContact OG-CE1 3.44Å; S1790-Y1838 PolarHBondContact OG-OH 3.34Å; K1798-Y1838 PolarHBondContact O-OH 3.05Å; V1800-Y1838 HydrophobicContact CB-CD2 4.42Å; V1800-Y1838 HydrophobicContact CB-CE2 4.19Å; V1800-Y1838 HydrophobicContact CG2-CD2 4.01Å; V1800-Y1838 HydrophobicContact CG2-CE2 3.71Å; F1824-Y1838 CarbonylContact C-O 3.54Å; F1824-Y1838 WeakPolarHBondContact CA-O 3.4Å; A1825-Y1838 PolarHBondContact N-O 2.97Å; A1825-Y1838 PolarHBondContact O-N 2.89Å |
| 1839 | S | 82.4 | Confident | 84.8 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.1 | -179.1 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1840 | L | 86.2 | Confident | 85.1 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | trans | -76.4 | 145.2 | 177.2 | -69.7 | 178.7 | 0 | 0 | 0 | 111.6 | L1747 M1769 W1775 V1820 G1823 A1825 G1842 | L1747-L1840 HydrophobicContact CD2-CD1 4.12Å; M1769-L1840 HydrophobicContact CE-CB 4.39Å; M1769-L1840 HydrophobicContact CE-CD1 4.21Å; W1775-L1840 HydrophobicContact CD2-CD2 3.99Å; W1775-L1840 HydrophobicContact CE3-CD2 4.43Å; W1775-L1840 HydrophobicContact CG-CD2 4.11Å; V1820-L1840 HydrophobicContact CB-CD1 4.42Å; V1820-L1840 HydrophobicContact CG1-CD1 3.75Å; V1820-L1840 HydrophobicContact CG2-CD1 3.72Å; G1823-L1840 PolarHBondContact O-N 3.48Å; A1825-L1840 HydrophobicContact CB-CD1 4.15Å; A1825-L1840 HydrophobicContact CB-CD2 3.81Å; A1825-L1840 HydrophobicContact CB-CG 3.86Å; L1840-G1842 VanDerWaalsContact C-N 3.3Å; L1840-G1842 PolarHBondContact O-N 3.49Å | ||
| 1841 | P | 86.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -80.1 | -7.5 | -179.2 | 34.2 | -37.7 | 0 | 0 | 0 | 114.2 | M1769 T1773 W1775 I1792 | M1769-P1841 HydrophobicContact SD-CG 4Å; T1773-P1841 HydrophobicContact CG2-CB 4.28Å; W1775-P1841 HydrophobicContact CB-CG 4.09Å; I1792-P1841 HydrophobicContact CD1-CB 3.89Å; I1792-P1841 HydrophobicContact CG1-CB 3.84Å |
| 1842 | G | 87 | Confident | 86 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | trans | -146.8 | 174 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1769 D1770 L1840 | M1769-G1842 WeakPolarHBondContact CE-O 3.24Å; D1770-G1842 WeakPolarHBondContact OD1-CA 3.36Å; L1840-G1842 VanDerWaalsContact C-N 3.3Å; L1840-G1842 PolarHBondContact O-N 3.49Å | ||
| 1843 | R | 82 | Confident | 86.5 | Confident | 173 Ų | 173 | 56.3 Ų | 56.3 | 65% | 0.653 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -102.9 | -14.8 | -178.3 | -65.8 | -177.5 | 178.2 | -170.9 | -1.9 | 113.9 | L1747 D1770 | L1747-R1843 WeakPolarHBondContact CB-O 3.41Å; L1747-R1843 PolarHBondContact N-O 2.86Å; L1747-R1843 VanDerWaalsContact N-O 3.15Å; D1770-R1843 PolarHBondContact OD1-N 3.06Å |
| 1844 | F | 82.3 | Confident | 86.8 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -135.1 | 134.2 | -175.5 | -57.8 | -96.3 | 0 | 0 | 0 | 111 | Y1744 K1745 M1769 D1770 | Y1744-F1844 HydrophobicContact CD1-CZ 4.24Å; K1745-F1844 HydrophobicContact CB-CE1 4.34Å; K1745-F1844 WeakPolarHBondContact O-CD1 3.43Å; K1745-F1844 WeakPolarHBondContact O-CE1 3.44Å; M1769-F1844 CarbonylContact C-O 3.53Å; M1769-F1844 WeakPolarHBondContact CA-O 3.22Å; M1769-F1844 VanDerWaalsContact CB-O 3.31Å; M1769-F1844 WeakPolarHBondContact CB-O 3.33Å; D1770-F1844 HydrophobicContact CB-CB 4.32Å; D1770-F1844 HydrophobicContact CB-CD2 4.29Å; D1770-F1844 PolarHBondContact N-O 3.4Å; D1770-F1844 VanDerWaalsContact N-O 3.13Å; D1770-F1844 PolarHBondContact OD1-N 3.43Å |
| 1845 | A | 86.7 | Confident | 86.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1747 V1767 L1861 H1863 | L1747-A1845 HydrophobicContact CD1-CB 4.06Å; L1747-A1845 HydrophobicContact CD2-CB 4.08Å; V1767-A1845 HydrophobicContact CG1-CB 4.08Å; A1845-L1861 HydrophobicContact CB-CD1 4.2Å; A1845-L1861 HydrophobicContact CB-CD2 3.9Å; A1845-H1863 PolarHBondContact N-NE2 3.15Å |
| 1846 | K | 82.8 | Confident | 86.8 | Confident | 146 Ų | 146 | 60.4 Ų | 60.4 | 64% | 0.635 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -37.9 | 176.7 | -69.1 | -174.1 | 176.6 | 177.1 | 0 | 112.9 | I1768 M1769 | I1768-K1846 WeakPolarHBondContact O-CA 3.4Å; I1768-K1846 WeakPolarHBondContact O-CB 3.33Å; I1768-K1846 PolarHBondContact O-N 2.69Å; M1769-K1846 WeakPolarHBondContact O-CD 3.44Å |
| 1847 | N | 87.1 | Confident | 87.7 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 159.4 | 178.5 | -165.5 | 19.8 | 0 | 0 | 0 | 110.8 | I1768 | I1768-N1847 HydrophobicContact CB-CB 4.32Å; I1768-N1847 HydrophobicContact CD1-CB 4.43Å; I1768-N1847 PolarHBondContact N-O 2.87Å; I1768-N1847 PolarHBondContact O-N 2.8Å; I1768-N1847 VanDerWaalsContact O-N 3.16Å |
| 1848 | V | 94.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.2 | 173.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | I1750 I1752 V1765 D1766 V1767 V1859 L1861 | I1750-V1848 HydrophobicContact CG2-CG2 4.37Å; I1752-V1848 HydrophobicContact CD1-CG1 3.85Å; V1765-V1848 HydrophobicContact CG1-CG1 4.04Å; D1766-V1848 CarbonylContact O-C 3.56Å; D1766-V1848 WeakPolarHBondContact O-CA 3.4Å; V1767-V1848 HydrophobicContact CB-CG2 4.49Å; V1767-V1848 HydrophobicContact CG1-CG2 4.19Å; V1767-V1848 HydrophobicContact CG2-CG1 4.14Å; V1767-V1848 HydrophobicContact CG2-CG2 4.01Å; V1848-V1859 HydrophobicContact CB-CG1 3.89Å; V1848-V1859 HydrophobicContact CB-CG2 4.06Å; V1848-V1859 HydrophobicContact CG1-CG1 4.2Å; V1848-V1859 HydrophobicContact CG1-CG2 3.91Å; V1848-V1859 HydrophobicContact CG2-CG1 3.89Å; V1848-L1861 HydrophobicContact CG2-CD1 4.39Å; V1848-L1861 HydrophobicContact CG2-CD2 4.03Å |
| 1849 | T | 92.9 | Very high | 88.8 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.1 | 177.7 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | D1766 | D1766-T1849 PolarHBondContact N-O 3.13Å; D1766-T1849 PolarHBondContact O-N 3.23Å; D1766-T1849 PolarHBondContact O-OG1 3.38Å |
| 1850 | V | 96.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.4 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 109 | I1752 I1754 R1764 V1765 I1854 Y1857 | I1752-V1850 HydrophobicContact CG2-CG2 4.01Å; I1754-V1850 HydrophobicContact CD1-CG1 3.9Å; I1754-V1850 HydrophobicContact CG1-CG1 4.31Å; R1764-V1850 CarbonylContact O-C 3.59Å; R1764-V1850 WeakPolarHBondContact O-CA 3.45Å; V1765-V1850 HydrophobicContact CG2-CG1 4.27Å; V1765-V1850 HydrophobicContact CG2-CG2 4.3Å; V1850-I1854 HydrophobicContact CB-CD1 4.2Å; V1850-I1854 HydrophobicContact CG1-CD1 3.97Å; V1850-I1854 HydrophobicContact CG1-CG2 4.44Å; V1850-Y1857 HydrophobicContact CB-CD1 3.98Å; V1850-Y1857 HydrophobicContact CB-CD2 3.83Å; V1850-Y1857 HydrophobicContact CB-CE1 4.2Å; V1850-Y1857 HydrophobicContact CB-CE2 4.06Å; V1850-Y1857 HydrophobicContact CB-CG 3.77Å; V1850-Y1857 HydrophobicContact CG2-CD2 3.46Å; V1850-Y1857 VanDerWaalsContact CG2-CD2 3.46Å; V1850-Y1857 HydrophobicContact CG2-CE2 3.82Å; V1850-Y1857 HydrophobicContact CG2-CG 3.84Å |
| 1851 | S | 94.5 | Very high | 89.2 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 170.7 | -174.8 | 56.5 | 0 | 0 | 0 | 0 | 112 | F1763 R1764 | F1763-S1851 CarbonylContact C-O 3.16Å; F1763-S1851 WeakPolarHBondContact CA-O 3.44Å; R1764-S1851 PolarHBondContact N-O 2.87Å; R1764-S1851 PolarHBondContact O-N 2.8Å |
| 1852 | G | 91.8 | Very high | 89.1 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 98 | -150.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1854 | G1852-I1854 PolarHBondContact O-N 2.79Å |
| 1853 | D | 91.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -83.3 | 54.5 | -164.6 | -47.6 | -24.7 | 0 | 0 | 0 | 112.2 | N1757 A1760 K1761 K1762 | N1757-D1853 WeakPolarHBondContact CB-O 3.48Å; N1757-D1853 PolarHBondContact N-O 2.8Å; A1760-D1853 HydrophobicContact CB-CB 3.68Å; A1760-D1853 WeakPolarHBondContact CB-O 3.44Å; K1761-D1853 WeakPolarHBondContact CA-OD2 3.48Å; K1761-D1853 PolarHBondContact N-OD2 2.76Å; K1762-D1853 PolarHBondContact N-OD2 2.89Å; K1762-D1853 WeakPolarHBondContact O-CB 3.1Å; K1762-D1853 VanDerWaalsContact O-CG 3.29Å; K1762-D1853 PolarHBondContact O-N 2.82Å |
| 1854 | I | 91.9 | Very high | 87.5 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.5 | -173.9 | 55.1 | 153.2 | 0 | 0 | 0 | 112.3 | I1754 G1755 L1756 F1763 V1850 G1852 Y1857 | I1754-I1854 HydrophobicContact CG2-CB 4.48Å; I1754-I1854 HydrophobicContact CG2-CG2 3.54Å; G1755-I1854 CarbonylContact O-C 3.24Å; G1755-I1854 WeakPolarHBondContact O-CA 3.32Å; L1756-I1854 HydrophobicContact CD2-CG2 4.27Å; F1763-I1854 HydrophobicContact CB-CG2 4.12Å; V1850-I1854 HydrophobicContact CB-CD1 4.2Å; V1850-I1854 HydrophobicContact CG1-CD1 3.97Å; V1850-I1854 HydrophobicContact CG1-CG2 4.44Å; G1852-I1854 PolarHBondContact O-N 2.79Å; I1854-Y1857 HydrophobicContact CD1-CD1 3.68Å; I1854-Y1857 HydrophobicContact CD1-CE1 4.21Å |
| 1855 | V | 86.5 | Confident | 85.6 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -32 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | G1755 N1757 | G1755-V1855 PolarHBondContact O-N 3.19Å; N1757-V1855 HydrophobicContact CB-CG2 4.03Å |
| 1856 | S | 84.5 | Confident | 83.1 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 42% | 0.42 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 159.7 | 175.3 | 61.5 | 0 | 0 | 0 | 0 | 112 | G1755 | G1755-S1856 PolarHBondContact N-O 3Å; G1755-S1856 PolarHBondContact O-N 2.8Å |
| 1857 | Y | 94.3 | Very high | 80.6 | Confident | 108 Ų | 108 | 62.8 Ų | 62.8 | 42% | 0.424 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 162.7 | 166.9 | 70.9 | -80.2 | 0 | 0 | 0 | 112.4 | T1753 V1850 I1854 V1859 | T1753-Y1857 CarbonylContact O-C 3.56Å; T1753-Y1857 WeakPolarHBondContact O-CA 3.42Å; T1753-Y1857 WeakPolarHBondContact O-CB 3.46Å; V1850-Y1857 HydrophobicContact CB-CD1 3.98Å; V1850-Y1857 HydrophobicContact CB-CD2 3.83Å; V1850-Y1857 HydrophobicContact CB-CE1 4.2Å; V1850-Y1857 HydrophobicContact CB-CE2 4.06Å; V1850-Y1857 HydrophobicContact CB-CG 3.77Å; V1850-Y1857 HydrophobicContact CG2-CD2 3.46Å; V1850-Y1857 VanDerWaalsContact CG2-CD2 3.46Å; V1850-Y1857 HydrophobicContact CG2-CE2 3.82Å; V1850-Y1857 HydrophobicContact CG2-CG 3.84Å; I1854-Y1857 HydrophobicContact CD1-CD1 3.68Å; I1854-Y1857 HydrophobicContact CD1-CE1 4.21Å; Y1857-V1859 HydrophobicContact CD2-CG2 3.98Å; Y1857-V1859 HydrophobicContact CE2-CG2 4.15Å |
| 1858 | S | 91.1 | Very high | 77.6 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 44% | 0.441 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155 | 166.1 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | I1752 T1753 | I1752-S1858 CarbonylContact C-O 3.58Å; I1752-S1858 VanDerWaalsContact CA-O 3.32Å; I1752-S1858 WeakPolarHBondContact CA-O 3.46Å; I1752-S1858 WeakPolarHBondContact CG2-O 3.41Å; T1753-S1858 WeakPolarHBondContact CB-OG 3.07Å; T1753-S1858 PolarHBondContact N-O 2.84Å; T1753-S1858 PolarHBondContact O-N 2.89Å |
| 1859 | V | 92.2 | Very high | 74.4 | Confident | 53 Ų | 53 | 72 Ų | 72 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.7 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | I1750 R1751 I1752 V1848 Y1857 L1861 | I1750-V1859 HydrophobicContact CG2-CG1 4.49Å; R1751-V1859 CarbonylContact O-C 3.5Å; R1751-V1859 WeakPolarHBondContact O-CA 3.46Å; I1752-V1859 HydrophobicContact CG1-CG1 4.47Å; I1752-V1859 HydrophobicContact CG1-CG2 4.45Å; I1752-V1859 HydrophobicContact CG2-CG2 4.3Å; V1848-V1859 HydrophobicContact CB-CG1 3.89Å; V1848-V1859 HydrophobicContact CB-CG2 4.06Å; V1848-V1859 HydrophobicContact CG1-CG1 4.2Å; V1848-V1859 HydrophobicContact CG1-CG2 3.91Å; V1848-V1859 HydrophobicContact CG2-CG1 3.89Å; Y1857-V1859 HydrophobicContact CD2-CG2 3.98Å; Y1857-V1859 HydrophobicContact CE2-CG2 4.15Å; V1859-L1861 HydrophobicContact CG1-CD2 4.29Å; V1859-L1861 HydrophobicContact CG1-CG 4.13Å |
| 1860 | D | 89.6 | Confident | 71.2 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.1 | 167.2 | 173.5 | 34.9 | 0 | 0 | 0 | 109.7 | R1751 | R1751-D1860 HydrophobicContact CB-CB 4.28Å; R1751-D1860 PolarHBondContact N-O 3.43Å; R1751-D1860 PolarHBondContact O-N 2.9Å |
| 1861 | L | 87.4 | Confident | 67.7 | Low | 53 Ų | 53 | 79.3 Ų | 79.3 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 86.2 | -168.1 | -73.3 | -179.9 | 0 | 0 | 0 | 111.6 | L1747 I1750 A1845 V1848 V1859 H1863 | L1747-L1861 HydrophobicContact CD1-CD2 4.45Å; I1750-L1861 HydrophobicContact CB-CD2 4.17Å; I1750-L1861 HydrophobicContact CG1-CD2 3.84Å; I1750-L1861 HydrophobicContact CG2-CD2 3.86Å; A1845-L1861 HydrophobicContact CB-CD1 4.2Å; A1845-L1861 HydrophobicContact CB-CD2 3.9Å; V1848-L1861 HydrophobicContact CG2-CD1 4.39Å; V1848-L1861 HydrophobicContact CG2-CD2 4.03Å; V1859-L1861 HydrophobicContact CG1-CD2 4.29Å; V1859-L1861 HydrophobicContact CG1-CG 4.13Å; L1861-H1863 PolarHBondContact O-N 3.47Å; L1861-H1863 PolarHBondContact O-ND1 2.8Å; L1861-H1863 VanDerWaalsContact O-ND1 3.13Å |
| 1862 | E | 84.2 | Confident | 64.3 | Low | 54 Ų | 54 | 83.8 Ų | 83.8 | 25% | 0.252 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.2 | 179.4 | -166.2 | -178.5 | 163.9 | 0 | 0 | 110.6 | R1748 A1749 R1751 | R1748-E1862 WeakPolarHBondContact CA-O 3.48Å; R1748-E1862 HydrophobicContact CB-CG 4.44Å; R1748-E1862 WeakPolarHBondContact CB-O 3.4Å; R1748-E1862 WeakPolarHBondContact CD-OE1 3.23Å; R1748-E1862 IonicContact CZ-OE1 2.72Å; R1748-E1862 PolarHBondContact N-O 3.19Å; R1748-E1862 IonicContact NE-OE1 3.16Å; R1748-E1862 IonicContact NH1-OE1 2.73Å; R1748-E1862 PolarHBondContact NH1-OE1 3.23Å; A1749-E1862 HydrophobicContact CB-CB 4.04Å; A1749-E1862 PolarHBondContact N-O 3.11Å; A1749-E1862 PolarHBondContact O-N 2.81Å; R1751-E1862 IonicContact CZ-OE2 3.94Å; R1751-E1862 IonicContact NE-OE2 2.71Å; R1751-E1862 IonicContact NH2-OE2 2.75Å; R1751-E1862 PolarHBondContact NH2-OE2 2.73Å |
| 1863 | H | 74.7 | Confident | 61.1 | Low | 51 Ų | 51 | 89.9 Ų | 89.9 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.2 | 173.8 | -67 | 79.1 | 0 | 0 | 0 | 110.4 | K1745 F1746 A1845 L1861 K1865 | K1745-H1863 HydrophobicContact CB-CB 4.12Å; K1745-H1863 HydrophobicContact CD-CB 4.48Å; K1745-H1863 PolarHBondContact O-CD2 2.87Å; F1746-H1863 CarbonylContact O-C 3.58Å; F1746-H1863 VanDerWaalsContact O-CA 3.24Å; F1746-H1863 WeakPolarHBondContact O-CA 3.42Å; A1845-H1863 PolarHBondContact N-NE2 3.15Å; L1861-H1863 PolarHBondContact O-N 3.47Å; L1861-H1863 PolarHBondContact O-ND1 2.8Å; L1861-H1863 VanDerWaalsContact O-ND1 3.13Å; H1863-K1865 PolarHBondContact O-N 2.96Å |
| 1864 | A | 61.7 | Low | 57.8 | Low | 43 Ų | 43 | 94.7 Ų | 94.7 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 122.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1745 F1746 R1748 G1866 | K1745-A1864 CarbonylContact C-O 3.56Å; K1745-A1864 VanDerWaalsContact CA-O 3.3Å; K1745-A1864 WeakPolarHBondContact CA-O 3.33Å; F1746-A1864 PolarHBondContact N-O 2.82Å; F1746-A1864 VanDerWaalsContact N-O 3.14Å; F1746-A1864 PolarHBondContact O-N 2.84Å; R1748-A1864 HydrophobicContact CB-CB 4.2Å; A1864-G1866 PolarHBondContact O-N 2.91Å; A1864-G1866 VanDerWaalsContact O-N 3.17Å |
| 1865 | K | 41.7 | Very low | 54.5 | Low | 147 Ų | 147 | 99 Ų | 99 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 98.2 | 176.6 | -164.6 | -177.1 | -177.5 | -174.8 | 0 | 109.1 | S1743 H1863 V1867 | S1743-K1865 VanDerWaalsContact OG-CE 3.22Å; S1743-K1865 WeakPolarHBondContact OG-CE 3.29Å; H1863-K1865 PolarHBondContact O-N 2.96Å; K1865-V1867 PolarHBondContact O-N 2.89Å |
| 1866 | G | 34.4 | Very low | 51.3 | Low | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 57% | 0.573 | S | S | . | * | trans | -69.6 | 122.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1744 A1864 | Y1744-G1866 PolarHBondContact O-N 2.83Å; A1864-G1866 PolarHBondContact O-N 2.91Å; A1864-G1866 VanDerWaalsContact O-N 3.17Å | ||
| 1867 | V | 29.6 | Very low | 48.3 | Very low | 127 Ų | 127 | 106.5 Ų | 106.5 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | trans | -106.5 | 117.1 | 148.5 | 176.2 | 0 | 0 | 0 | 0 | 105.1 | K1865 V1869 | K1865-V1867 PolarHBondContact O-N 2.89Å; V1867-V1869 HydrophobicContact CG1-CG2 4.37Å; V1867-V1869 PolarHBondContact O-N 2.67Å | ||
| 1868 | L | 25.1 | Very low | 44.7 | Very low | 162 Ų | 162 | 107.1 Ų | 107.1 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | trans | -73.8 | 113.6 | 172.1 | -78.6 | 164.6 | 0 | 0 | 0 | 108 | ||||
| 1869 | V | 25.8 | Very low | 41.3 | Very low | 121 Ų | 121 | 114 Ų | 114 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | -101.6 | 112.7 | 163.5 | -179.5 | 0 | 0 | 0 | 0 | 105.6 | V1867 S1871 | V1867-V1869 HydrophobicContact CG1-CG2 4.37Å; V1867-V1869 PolarHBondContact O-N 2.67Å; V1869-S1871 PolarHBondContact O-N 2.83Å | ||
| 1870 | P | 26.3 | Very low | 37.8 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -58.5 | 136 | 174.5 | -23.7 | 34.6 | 0 | 0 | 0 | 110.7 | D1872 | P1870-D1872 PolarHBondContact O-N 2.94Š| ||
| 1871 | S | 22.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | trans | -94.1 | 74.7 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | V1869 | V1869-S1871 PolarHBondContact O-N 2.83Š| ||
| 1872 | D | 25 | Very low | 31.2 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -97.6 | 105.4 | 173.1 | -69 | -57.3 | 0 | 0 | 0 | 110.1 | P1870 | P1870-D1872 PolarHBondContact O-N 2.94Š| ||
| 1873 | E | 22.6 | Very low | 28.2 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -70.6 | 153.2 | 162.9 | -62.2 | -175.3 | 126.6 | 0 | 0 | 110 | ||||
| 1874 | N | 23.4 | Very low | 25.7 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 66.4 | 103.1 | 176.3 | -45 | -71 | 0 | 0 | 0 | 115.8 | ||||
| 1875 | V | 22.5 | Very low | 23.8 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | -148.9 | 117.2 | 104.9 | 169.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1876 | Q | 19.7 | Very low | 22.9 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -84.1 | 126.6 | 152.1 | -69.2 | -178.5 | -4.6 | 0 | 0 | 108 | ||||
| 1877 | T | 21.9 | Very low | 22.3 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -169.3 | 157.4 | 142.5 | 8.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1878 | T | 18.7 | Very low | 21.9 | Very low | 122 Ų | 122 | 149 Ų | 149 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -102.8 | 177.8 | -175.5 | -35.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1879 | Y | 19.1 | Very low | 21.7 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 73.3 | 118.4 | -177.1 | -59.5 | -95.8 | 0 | 0 | 0 | 112.8 | ||||
| 1880 | S | 19.3 | Very low | 21.6 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | cis | 72 | 102.5 | 46.7 | 90.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1881 | G | 18.7 | Very low | 21.3 | Very low | 79 Ų | 79 | 156.7 Ų | 156.7 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -177.2 | 117.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1882 | K | 19.7 | Very low | 21.4 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -41.2 | 138.4 | 173.4 | -53.5 | 150 | -178.3 | 170.4 | 0 | 113.4 | ||||
| 1883 | N | 20.9 | Very low | 21.4 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | -166.3 | 169 | 114.2 | -108.2 | -29.5 | 0 | 0 | 0 | 115.5 | |||||
| 1884 | K | 21.2 | Very low | 21.5 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -106.8 | 137.3 | -178.3 | -59.2 | 166.6 | 179.8 | 171 | 0 | 110.7 | ||||
| 1885 | N | 23 | Very low | 21.6 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -160.2 | 121.6 | 145.2 | -89.6 | -31.5 | 0 | 0 | 0 | 106.4 | ||||
| 1886 | K | 21 | Very low | 22 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | 55.1 | 85.1 | 67.1 | -77.3 | -164.4 | 172.9 | -174 | 0 | 113.4 | |||||
| 1887 | L | 22.9 | Very low | 22.5 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -118.9 | 157.5 | 144.3 | -103.9 | 91.1 | 0 | 0 | 0 | 109.3 | ||||
| 1888 | P | 21.8 | Very low | 23.2 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -97 | 161.5 | -160.3 | -1.9 | 23.5 | 0 | 0 | 0 | 114.5 | ||||
| 1889 | N | 20.5 | Very low | 24 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 136.1 | 166 | -68.2 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 1890 | R | 23.2 | Very low | 25.1 | Very low | 253 Ų | 253 | 137.5 Ų | 137.5 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | trans | -118 | 127.9 | 146.9 | -95.3 | -174 | 169.7 | 179 | -2.9 | 108.5 | ||||
| 1891 | S | 21.2 | Very low | 26.1 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -88 | 130.3 | 178.6 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1892 | G | 22.2 | Very low | 27 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -167.8 | 118.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1893 | D | 26 | Very low | 27.9 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 91% | 0.914 | 67% | 0.671 | S | S | * | * | trans | 60.2 | 140 | 177.3 | -127.1 | -34.2 | 0 | 0 | 0 | 119.1 | ||||
| 1894 | S | 24 | Very low | 28.7 | Very low | 112 Ų | 112 | 117 Ų | 117 | 78% | 0.783 | 64% | 0.642 | S | S | * | * | trans | -115 | 62.3 | -163.2 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | S1896 | S1894-S1896 PolarHBondContact O-N 3.01Š| ||
| 1895 | G | 25.5 | Very low | 29.3 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | trans | -64.1 | 120 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1897 | G1895-R1897 PolarHBondContact O-N 3.25Å; G1895-R1897 VanDerWaalsContact O-N 3.08Å | ||
| 1896 | S | 31.4 | Very low | 29.8 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 85% | 0.846 | 59% | 0.585 | S | S | * | * | trans | -68.3 | 103.9 | -171.8 | 43.5 | 0 | 0 | 0 | 0 | 113 | S1894 | S1894-S1896 PolarHBondContact O-N 3.01Š| ||
| 1897 | R | 29.4 | Very low | 30.3 | Very low | 184 Ų | 184 | 100 Ų | 100 | 69% | 0.694 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 127.8 | 173.9 | -57.2 | -172.3 | -170.7 | -166 | 5.7 | 110 | G1895 E1899 D1919 | G1895-R1897 PolarHBondContact O-N 3.25Å; G1895-R1897 VanDerWaalsContact O-N 3.08Å; R1897-E1899 PolarHBondContact O-N 3.42Å; R1897-D1919 IonicContact NH1-OD1 3.01Å; R1897-D1919 PolarHBondContact NH1-OD1 3.39Å |
| 1898 | P | 37.5 | Very low | 30.8 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 122.5 | -176.7 | 26 | -33.7 | 0 | 0 | 0 | 112.1 | ||
| 1899 | E | 35.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 95.4 Ų | 95.4 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -85.5 | 132.7 | 170.7 | -72 | -174.1 | 177.4 | 0 | 0 | 110.9 | R1897 T1915 K1917 | R1897-E1899 PolarHBondContact O-N 3.42Å; E1899-T1915 HydrophobicContact CB-CG2 4.01Å; E1899-T1915 HydrophobicContact CG-CG2 4.34Å; E1899-K1917 VanDerWaalsContact CD-CE 3.45Å; E1899-K1917 HydrophobicContact CG-CD 4.44Å; E1899-K1917 HydrophobicContact CG-CG 4.12Å; E1899-K1917 WeakPolarHBondContact OE1-CE 3.37Å; E1899-K1917 IonicContact OE1-NZ 2.8Å; E1899-K1917 PolarHBondContact OE1-NZ 3.03Å |
| 1900 | W | 41.9 | Very low | 31.7 | Very low | 39 Ų | 39 | 94 Ų | 94 | 15% | 0.148 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.6 | 173.2 | -67.3 | 85.7 | 0 | 0 | 0 | 109.8 | T1915 F1916 V1968 Y1971 | W1900-T1915 CarbonylContact O-C 3.5Å; W1900-T1915 WeakPolarHBondContact O-CA 3.28Å; W1900-F1916 HydrophobicContact CB-CD2 4.03Å; W1900-F1916 HydrophobicContact CB-CE2 4.14Å; W1900-F1916 PolarHBondContact N-O 3.41Å; W1900-F1916 VanDerWaalsContact N-O 3.13Å; W1900-F1916 PolarHBondContact O-N 2.74Å; W1900-V1968 HydrophobicContact CH2-CG1 4.34Å; W1900-V1968 HydrophobicContact CZ3-CG1 4.03Å; W1900-Y1971 AromaticContact CH2-CD2 3.92Å; W1900-Y1971 HydrophobicContact CH2-CD2 3.92Å; W1900-Y1971 HydrophobicContact CH2-CE2 4.38Å; W1900-Y1971 HydrophobicContact CZ2-CD2 4.02Å; W1900-Y1971 HydrophobicContact CZ2-CE2 4.01Å |
| 1901 | T | 40 | Very low | 32.5 | Very low | 30 Ų | 30 | 89.3 Ų | 89.3 | 18% | 0.184 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.2 | -175.6 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | P1913 K1965 | T1901-P1913 HydrophobicContact CG2-CB 3.54Å; T1901-P1913 HydrophobicContact CG2-CG 4.42Å; T1901-K1965 PolarHBondContact N-O 3.26Å; T1901-K1965 PolarHBondContact O-N 3.19Å; T1901-K1965 VanDerWaalsContact O-O 3.11Å |
| 1902 | F | 36.9 | Very low | 33.4 | Very low | 17 Ų | 17 | 93 Ų | 93 | 8% | 0.075 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.2 | 168.5 | -90.3 | -114.7 | 0 | 0 | 0 | 110.1 | L1914 F1916 A1930 V1941 V1964 | F1902-L1914 HydrophobicContact CB-CB 4.36Å; F1902-L1914 PolarHBondContact N-O 3.47Å; F1902-L1914 PolarHBondContact O-N 2.73Å; F1902-F1916 HydrophobicContact CB-CE1 4.44Å; F1902-F1916 HydrophobicContact CB-CZ 4.21Å; F1902-F1916 HydrophobicContact CD2-CE1 4.35Å; F1902-F1916 AromaticContact CD2-CE2 3.83Å; F1902-F1916 HydrophobicContact CD2-CE2 3.83Å; F1902-F1916 AromaticContact CD2-CZ 3.35Å; F1902-F1916 HydrophobicContact CD2-CZ 3.35Å; F1902-F1916 HydrophobicContact CE2-CE2 4.07Å; F1902-F1916 AromaticContact CE2-CZ 3.86Å; F1902-F1916 HydrophobicContact CE2-CZ 3.86Å; F1902-F1916 AromaticContact CG-CZ 3.92Å; F1902-F1916 HydrophobicContact CG-CZ 3.92Å; F1902-A1930 HydrophobicContact CZ-CB 4.16Å; F1902-V1941 HydrophobicContact CE1-CG1 4.27Å; F1902-V1964 HydrophobicContact CD1-CG2 4.11Å; F1902-V1964 HydrophobicContact CD2-CG1 4.17Å; F1902-V1964 HydrophobicContact CE1-CG2 3.58Å; F1902-V1964 HydrophobicContact CE2-CG1 3.65Å; F1902-V1964 HydrophobicContact CE2-CG2 4.21Å; F1902-V1964 HydrophobicContact CZ-CB 4.38Å; F1902-V1964 HydrophobicContact CZ-CG1 3.86Å; F1902-V1964 HydrophobicContact CZ-CG2 3.63Å |
| 1903 | S | 40.4 | Very low | 34.4 | Very low | 26 Ų | 26 | 92.9 Ų | 92.9 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.9 | -178.9 | -60 | 0 | 0 | 0 | 0 | 110.2 | F1963 | S1903-F1963 PolarHBondContact N-O 2.85Å; S1903-F1963 PolarHBondContact O-N 2.88Å; S1903-F1963 VanDerWaalsContact O-N 3.16Å |
| 1904 | L | 35.9 | Very low | 35 | Very low | 55 Ų | 55 | 87.5 Ų | 87.5 | 29% | 0.288 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122 | 178.6 | -168.3 | 72 | 0 | 0 | 0 | 109.9 | V1906 K1911 L1960 V1962 | L1904-V1906 HydrophobicContact CD2-CG2 3.84Å; L1904-V1906 HydrophobicContact CG-CG2 3.88Å; L1904-K1911 PolarHBondContact O-N 3.28Å; L1904-L1960 HydrophobicContact CD1-CD2 4.49Å; L1904-V1962 HydrophobicContact CD1-CG2 3.91Å |
| 1905 | M | 35.1 | Very low | 35.8 | Very low | 56 Ų | 56 | 85.6 Ų | 85.6 | 28% | 0.276 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.6 | 174.4 | -171.1 | -172.7 | -68.8 | 0 | 0 | 109.3 | W1910 C1961 | M1905-W1910 HydrophobicContact CB-CD2 4.44Å; M1905-W1910 HydrophobicContact CB-CE3 3.97Å; M1905-W1910 HydrophobicContact CB-CH2 4.44Å; M1905-W1910 HydrophobicContact CB-CZ3 3.95Å; M1905-W1910 HydrophobicContact CE-CD2 4.3Å; M1905-W1910 HydrophobicContact CE-CH2 3.77Å; M1905-W1910 HydrophobicContact CE-CZ2 3.36Å; M1905-W1910 HydrophobicContact CE-CZ3 4.35Å; M1905-C1961 PolarHBondContact N-O 3.23Å |
| 1906 | V | 33.7 | Very low | 36.6 | Very low | 28 Ų | 28 | 84.3 Ų | 84.3 | 17% | 0.17 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119.2 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | L1904 G1908 L1909 L1957 L1960 | L1904-V1906 HydrophobicContact CD2-CG2 3.84Å; L1904-V1906 HydrophobicContact CG-CG2 3.88Å; V1906-G1908 PolarHBondContact O-N 3.12Å; V1906-L1909 PolarHBondContact N-O 3.35Å; V1906-L1909 PolarHBondContact O-N 3.49Å; V1906-L1909 VanDerWaalsContact O-O 3.12Å; V1906-L1957 HydrophobicContact CG1-CD1 3.48Å; V1906-L1957 VanDerWaalsContact CG1-CD1 3.48Å; V1906-L1960 HydrophobicContact CG2-CD1 4.46Å |
| 1907 | N | 32 | Very low | 37.2 | Very low | 98 Ų | 98 | 85 Ų | 85 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 41.2 | -173.3 | -66 | 9.8 | 0 | 0 | 0 | 113.8 | L1909 L1957 | N1907-L1909 PolarHBondContact O-N 3.04Å; N1907-L1909 VanDerWaalsContact O-N 3.12Å; N1907-L1957 VanDerWaalsContact ND2-CD2 3.3Å; N1907-L1957 WeakPolarHBondContact ND2-CD2 3.39Å |
| 1908 | G | 31.6 | Very low | 37.6 | Very low | 59 Ų | 59 | 80.4 Ų | 80.4 | 61% | 0.608 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -11.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1906 | V1906-G1908 PolarHBondContact O-N 3.12Š|
| 1909 | L | 29.6 | Very low | 37.9 | Very low | 130 Ų | 130 | 81.4 Ų | 81.4 | 68% | 0.681 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.8 | 173.3 | -69.4 | 171.2 | 0 | 0 | 0 | 110.6 | V1906 N1907 K1911 | V1906-L1909 PolarHBondContact N-O 3.35Å; V1906-L1909 PolarHBondContact O-N 3.49Å; V1906-L1909 VanDerWaalsContact O-O 3.12Å; N1907-L1909 PolarHBondContact O-N 3.04Å; N1907-L1909 VanDerWaalsContact O-N 3.12Å; L1909-K1911 PolarHBondContact O-N 2.86Å |
| 1910 | W | 33.4 | Very low | 38 | Very low | 136 Ų | 136 | 88.1 Ų | 88.1 | 52% | 0.515 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122 | 165.6 | -66.5 | 107.1 | 0 | 0 | 0 | 109.3 | M1905 F1963 | M1905-W1910 HydrophobicContact CB-CD2 4.44Å; M1905-W1910 HydrophobicContact CB-CE3 3.97Å; M1905-W1910 HydrophobicContact CB-CH2 4.44Å; M1905-W1910 HydrophobicContact CB-CZ3 3.95Å; M1905-W1910 HydrophobicContact CE-CD2 4.3Å; M1905-W1910 HydrophobicContact CE-CH2 3.77Å; M1905-W1910 HydrophobicContact CE-CZ2 3.36Å; M1905-W1910 HydrophobicContact CE-CZ3 4.35Å; W1910-F1963 HydrophobicContact CH2-CB 4.06Å; W1910-F1963 AromaticContact CH2-CD2 3.81Å; W1910-F1963 HydrophobicContact CH2-CD2 3.81Å; W1910-F1963 HydrophobicContact CH2-CG 4.14Å; W1910-F1963 HydrophobicContact CZ3-CB 4.32Å; W1910-F1963 HydrophobicContact CZ3-CD2 4.34Å |
| 1911 | K | 39.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 89.4 Ų | 89.4 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 150.9 | 159.5 | -75.8 | -151 | 171.8 | -171.3 | 0 | 109.7 | L1904 L1909 | L1904-K1911 PolarHBondContact O-N 3.28Å; L1909-K1911 PolarHBondContact O-N 2.86Å |
| 1912 | K | 38.3 | Very low | 37.5 | Very low | 203 Ų | 203 | 93.7 Ų | 93.7 | 88% | 0.883 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 128.6 | -170.3 | -129.2 | 178.3 | -176 | -178.8 | 0 | 110.6 | ||
| 1913 | P | 43.7 | Very low | 37.3 | Very low | 68 Ų | 68 | 101.9 Ų | 101.9 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.6 | -173.7 | 22.3 | -33.2 | 0 | 0 | 0 | 112.4 | T1901 T1915 | T1901-P1913 HydrophobicContact CG2-CB 3.54Å; T1901-P1913 HydrophobicContact CG2-CG 4.42Å; P1913-T1915 PolarHBondContact O-N 3.49Å |
| 1914 | L | 39.9 | Very low | 37.1 | Very low | 58 Ų | 58 | 109.4 Ų | 109.4 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 98.1 | 169.1 | -86.9 | 161.1 | 0 | 0 | 0 | 108.4 | F1902 F1916 Y1952 | F1902-L1914 HydrophobicContact CB-CB 4.36Å; F1902-L1914 PolarHBondContact N-O 3.47Å; F1902-L1914 PolarHBondContact O-N 2.73Å; L1914-F1916 HydrophobicContact CB-CD1 4.46Å; L1914-F1916 HydrophobicContact CB-CE1 4.1Å; L1914-Y1952 HydrophobicContact CD1-CD2 4.34Å; L1914-Y1952 HydrophobicContact CD1-CE2 3.83Å; L1914-Y1952 HydrophobicContact CD2-CE2 4.15Å |
| 1915 | T | 40.8 | Very low | 37 | Very low | 72 Ų | 72 | 110.5 Ų | 110.5 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.6 | 172.7 | -40.8 | 0 | 0 | 0 | 0 | 109.8 | E1899 W1900 P1913 | E1899-T1915 HydrophobicContact CB-CG2 4.01Å; E1899-T1915 HydrophobicContact CG-CG2 4.34Å; W1900-T1915 CarbonylContact O-C 3.5Å; W1900-T1915 WeakPolarHBondContact O-CA 3.28Å; P1913-T1915 PolarHBondContact O-N 3.49Å |
| 1916 | F | 42 | Very low | 36.9 | Very low | 40 Ų | 40 | 115.2 Ų | 115.2 | 18% | 0.175 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.7 | 173.8 | 26.4 | -100.4 | 0 | 0 | 0 | 113.4 | W1900 F1902 L1914 L1943 | W1900-F1916 HydrophobicContact CB-CD2 4.03Å; W1900-F1916 HydrophobicContact CB-CE2 4.14Å; W1900-F1916 PolarHBondContact N-O 3.41Å; W1900-F1916 VanDerWaalsContact N-O 3.13Å; W1900-F1916 PolarHBondContact O-N 2.74Å; F1902-F1916 HydrophobicContact CB-CE1 4.44Å; F1902-F1916 HydrophobicContact CB-CZ 4.21Å; F1902-F1916 HydrophobicContact CD2-CE1 4.35Å; F1902-F1916 AromaticContact CD2-CE2 3.83Å; F1902-F1916 HydrophobicContact CD2-CE2 3.83Å; F1902-F1916 AromaticContact CD2-CZ 3.35Å; F1902-F1916 HydrophobicContact CD2-CZ 3.35Å; F1902-F1916 HydrophobicContact CE2-CE2 4.07Å; F1902-F1916 AromaticContact CE2-CZ 3.86Å; F1902-F1916 HydrophobicContact CE2-CZ 3.86Å; F1902-F1916 AromaticContact CG-CZ 3.92Å; F1902-F1916 HydrophobicContact CG-CZ 3.92Å; L1914-F1916 HydrophobicContact CB-CD1 4.46Å; L1914-F1916 HydrophobicContact CB-CE1 4.1Å; F1916-L1943 HydrophobicContact CE2-CD1 4.14Å |
| 1917 | K | 43 | Very low | 37 | Very low | 136 Ų | 136 | 117 Ų | 117 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | trans | -112.8 | 127.4 | 173.8 | -69.3 | 172.8 | 178.4 | 168.5 | 0 | 107.2 | E1899 | E1899-K1917 VanDerWaalsContact CD-CE 3.45Å; E1899-K1917 HydrophobicContact CG-CD 4.44Å; E1899-K1917 HydrophobicContact CG-CG 4.12Å; E1899-K1917 WeakPolarHBondContact OE1-CE 3.37Å; E1899-K1917 IonicContact OE1-NZ 2.8Å; E1899-K1917 PolarHBondContact OE1-NZ 3.03Å | ||
| 1918 | H | 38.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | trans | -114.8 | 126.1 | 178.6 | -164.8 | -63.7 | 0 | 0 | 0 | 109.3 | ||||
| 1919 | D | 44.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | trans | -76.2 | 133.2 | 173.8 | -65.7 | -58.7 | 0 | 0 | 0 | 110.1 | R1897 | R1897-D1919 IonicContact NH1-OD1 3.01Å; R1897-D1919 PolarHBondContact NH1-OD1 3.39Å | ||
| 1920 | R | 37.3 | Very low | 38.5 | Very low | 241 Ų | 241 | 107.7 Ų | 107.7 | 91% | 0.909 | 51% | 0.509 | S | S | * | . | trans | 40.3 | 82.9 | 170.3 | -67.9 | 178.9 | 169.1 | 168.8 | -4.3 | 115.7 | ||||
| 1921 | L | 35.1 | Very low | 39 | Very low | 67 Ų | 67 | 103.4 Ų | 103.4 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | trans | -72.1 | 133.1 | 140.9 | -105.6 | 72.8 | 0 | 0 | 0 | 107.5 | L1928 | L1921-L1928 HydrophobicContact CD2-CD1 3.95Š| ||
| 1922 | D | 35.8 | Very low | 39.3 | Very low | 120 Ų | 120 | 96.5 Ų | 96.5 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | trans | -77 | 139.9 | 177.9 | -159.6 | 11.3 | 0 | 0 | 0 | 109.3 | K1924 T1925 | D1922-K1924 PolarHBondContact O-N 3.24Å; D1922-T1925 PolarHBondContact O-N 2.9Å; D1922-T1925 PolarHBondContact O-OG1 2.9Å | ||
| 1923 | E | 33.7 | Very low | 39.6 | Very low | 189 Ų | 189 | 88 Ų | 88 | 88% | 0.883 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -3.4 | -165.1 | -67.9 | -166 | 123.7 | 0 | 0 | 115.2 | ||
| 1924 | K | 37.2 | Very low | 39.6 | Very low | 184 Ų | 184 | 86.2 Ų | 86.2 | 80% | 0.8 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -18.6 | -179.7 | -67.7 | 178.8 | 178.7 | 173.1 | 0 | 114.3 | D1922 | D1922-K1924 PolarHBondContact O-N 3.24Š|
| 1925 | T | 33.1 | Very low | 39.8 | Very low | 77 Ų | 77 | 87.5 Ų | 87.5 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | trans | -101.5 | 96 | -179.6 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | D1922 T1927 | D1922-T1925 PolarHBondContact O-N 2.9Å; D1922-T1925 PolarHBondContact O-OG1 2.9Å; T1925-T1927 VanDerWaalsContact C-N 3.32Å | ||
| 1926 | K | 33.3 | Very low | 40 | Very low | 155 Ų | 155 | 93.4 Ų | 93.4 | 67% | 0.674 | 44% | 0.437 | S | S | * | . | trans | -83 | 0 | 177.7 | -68.1 | -174.5 | 176.4 | 179.8 | 0 | 115.3 | S1972 | K1926-S1972 PolarHBondContact O-N 2.88Å; K1926-S1972 PolarHBondContact O-OG 2.91Å | ||
| 1927 | T | 36.3 | Very low | 40.2 | Very low | 66 Ų | 66 | 96.9 Ų | 96.9 | 41% | 0.405 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.7 | -177.9 | -44.7 | 0 | 0 | 0 | 0 | 108.3 | T1925 S1972 | T1925-T1927 VanDerWaalsContact C-N 3.32Å; T1927-S1972 PolarHBondContact OG1-OG 2.75Å |
| 1928 | L | 38.7 | Very low | 40.6 | Very low | 19 Ų | 19 | 92.3 Ų | 92.3 | 10% | 0.099 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 111.5 | 179.8 | -173.3 | 79.3 | 0 | 0 | 0 | 108.8 | L1921 L1943 S1972 L1974 | L1921-L1928 HydrophobicContact CD2-CD1 3.95Å; L1928-L1943 HydrophobicContact CD1-CD2 4.4Å; L1928-L1943 HydrophobicContact CD2-CD2 4.19Å; L1928-L1943 HydrophobicContact CG-CD2 4.15Å; L1928-S1972 PolarHBondContact N-O 2.92Å; L1928-L1974 PolarHBondContact O-N 2.71Å |
| 1929 | N | 43 | Very low | 41.1 | Very low | 70 Ų | 70 | 89.2 Ų | 89.2 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 109 | -178.9 | -57.3 | -83.4 | 0 | 0 | 0 | 110.2 | L1943 D1944 | N1929-L1943 WeakPolarHBondContact O-CA 3.17Å; N1929-D1944 VanDerWaalsContact CB-OD1 3.25Å; N1929-D1944 WeakPolarHBondContact CB-OD1 3.31Å; N1929-D1944 PolarHBondContact N-OD1 3.13Å; N1929-D1944 PolarHBondContact ND2-OD1 3.37Å; N1929-D1944 PolarHBondContact O-N 3.04Å |
| 1930 | A | 40.9 | Very low | 41.6 | Very low | 3 Ų | 3 | 85.1 Ų | 85.1 | 3% | 0.025 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 99.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F1902 L1943 L1974 A1975 L1976 | F1902-A1930 HydrophobicContact CZ-CB 4.16Å; A1930-L1943 HydrophobicContact CB-CD2 3.88Å; A1930-L1974 PolarHBondContact N-O 3.32Å; A1930-A1975 WeakPolarHBondContact O-CA 3.37Å; A1930-L1976 PolarHBondContact O-N 3.17Å; A1930-L1976 VanDerWaalsContact O-N 3.09Å |
| 1931 | L | 45.4 | Very low | 42.2 | Very low | 45 Ų | 45 | 74.1 Ų | 74.1 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.4 | 172.8 | -175 | 72.6 | 0 | 0 | 0 | 108.9 | T1942 L1976 Q1978 | L1931-T1942 PolarHBondContact N-O 3.47Å; L1931-T1942 PolarHBondContact O-N 2.9Å; L1931-L1976 HydrophobicContact CD1-CB 3.85Å; L1931-Q1978 HydrophobicContact CD1-CB 4.43Å |
| 1932 | V | 44.7 | Very low | 42.8 | Very low | 10 Ų | 10 | 71.6 Ų | 71.6 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 101 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I1934 V1939 V1941 L1976 L1977 | V1932-I1934 HydrophobicContact CG1-CG1 4.13Å; V1932-I1934 PolarHBondContact O-N 2.92Å; V1932-V1939 HydrophobicContact CG1-CG1 3.9Å; V1932-V1941 HydrophobicContact CG2-CG2 4.48Å; V1932-L1976 PolarHBondContact N-O 2.74Å; V1932-L1977 HydrophobicContact CB-CD2 4.17Å; V1932-L1977 HydrophobicContact CG1-CD2 4.28Å |
| 1933 | T | 45.6 | Very low | 43.4 | Very low | 25 Ų | 25 | 66.9 Ų | 66.9 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.6 | 176.6 | -49.5 | 0 | 0 | 0 | 0 | 108.4 | E1935 Q1940 | T1933-E1935 HydrophobicContact CG2-CG 3.96Å; T1933-Q1940 PolarHBondContact N-O 3.18Å; T1933-Q1940 PolarHBondContact O-N 2.87Å |
| 1934 | I | 42.9 | Very low | 44.4 | Very low | 29 Ų | 29 | 60.7 Ų | 60.7 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 98.4 | 172.9 | -55.1 | -175.5 | 0 | 0 | 0 | 107.4 | V1932 V1939 M1954 L1960 L1977 | V1932-I1934 HydrophobicContact CG1-CG1 4.13Å; V1932-I1934 PolarHBondContact O-N 2.92Å; I1934-V1939 HydrophobicContact CG1-CG1 4.49Å; I1934-V1939 HydrophobicContact CG1-CG2 4.31Å; I1934-V1939 HydrophobicContact CG2-CG2 4.43Å; I1934-M1954 HydrophobicContact CG2-CE 4.19Å; I1934-M1954 HydrophobicContact CG2-SD 3.56Å; I1934-M1954 VanDerWaalsContact CG2-SD 3.56Å; I1934-L1960 HydrophobicContact CD1-CD2 3.69Å; I1934-L1977 HydrophobicContact CD1-CD2 3.59Å; I1934-L1977 HydrophobicContact CG1-CD2 4.19Å |
| 1935 | E | 45.5 | Very low | 45.1 | Very low | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 170.7 | 168.8 | -61.7 | -168.3 | -120.5 | 0 | 0 | 109.5 | T1933 D1937 F1938 K1951 | T1933-E1935 HydrophobicContact CG2-CG 3.96Å; E1935-D1937 PolarHBondContact O-N 2.86Å; E1935-F1938 HydrophobicContact CB-CD2 4.06Å; E1935-F1938 HydrophobicContact CB-CE1 4.12Å; E1935-F1938 HydrophobicContact CB-CE2 3.47Å; E1935-F1938 VanDerWaalsContact CB-CE2 3.47Å; E1935-F1938 HydrophobicContact CB-CZ 3.48Å; E1935-F1938 VanDerWaalsContact CB-CZ 3.48Å; E1935-F1938 HydrophobicContact CG-CE2 3.6Å; E1935-F1938 HydrophobicContact CG-CZ 3.78Å; E1935-F1938 PolarHBondContact N-O 2.93Å; E1935-F1938 PolarHBondContact O-N 2.86Å; E1935-F1938 WeakPolarHBondContact OE1-CE2 3.4Å; E1935-F1938 WeakPolarHBondContact OE1-CZ 3.34Å; E1935-F1938 WeakPolarHBondContact OE2-CZ 3.45Å; E1935-K1951 IonicContact OE1-NZ 2.65Å; E1935-K1951 PolarHBondContact OE1-NZ 2.9Å; E1935-K1951 VanDerWaalsContact OE1-NZ 3.1Å |
| 1936 | R | 44.5 | Very low | 45.8 | Very low | 196 Ų | 196 | 64.1 Ų | 64.1 | 74% | 0.74 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.2 | -164.3 | -149.6 | -179.4 | -158.8 | 177.5 | 3.4 | 113.9 | ||
| 1937 | D | 45.6 | Very low | 46.8 | Very low | 112 Ų | 112 | 60.7 Ų | 60.7 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 1.5 | -172.5 | -47.5 | -67.2 | 0 | 0 | 0 | 113 | E1935 P1953 M1954 | E1935-D1937 PolarHBondContact O-N 2.86Å; D1937-P1953 CarbonylContact O-C 3.58Å; D1937-P1953 VanDerWaalsContact O-CA 3.29Å; D1937-P1953 WeakPolarHBondContact O-CA 3.24Å; D1937-M1954 PolarHBondContact O-N 2.86Å |
| 1938 | F | 52.9 | Low | 47.6 | Very low | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 154.7 | 178.9 | 55.8 | -96.1 | 0 | 0 | 0 | 115.5 | E1935 K1951 Y1952 | E1935-F1938 HydrophobicContact CB-CD2 4.06Å; E1935-F1938 HydrophobicContact CB-CE1 4.12Å; E1935-F1938 HydrophobicContact CB-CE2 3.47Å; E1935-F1938 VanDerWaalsContact CB-CE2 3.47Å; E1935-F1938 HydrophobicContact CB-CZ 3.48Å; E1935-F1938 VanDerWaalsContact CB-CZ 3.48Å; E1935-F1938 HydrophobicContact CG-CE2 3.6Å; E1935-F1938 HydrophobicContact CG-CZ 3.78Å; E1935-F1938 PolarHBondContact N-O 2.93Å; E1935-F1938 PolarHBondContact O-N 2.86Å; E1935-F1938 WeakPolarHBondContact OE1-CE2 3.4Å; E1935-F1938 WeakPolarHBondContact OE1-CZ 3.34Å; E1935-F1938 WeakPolarHBondContact OE2-CZ 3.45Å; F1938-K1951 HydrophobicContact CB-CB 4.18Å; F1938-K1951 HydrophobicContact CD1-CD 4.39Å; F1938-K1951 HydrophobicContact CD2-CB 3.8Å; F1938-K1951 HydrophobicContact CD2-CD 3.64Å; F1938-K1951 HydrophobicContact CD2-CG 3.66Å; F1938-K1951 HydrophobicContact CE1-CD 4.16Å; F1938-K1951 HydrophobicContact CE2-CB 4.44Å; F1938-K1951 HydrophobicContact CE2-CD 3.37Å; F1938-K1951 HydrophobicContact CE2-CG 3.86Å; F1938-K1951 HydrophobicContact CG-CB 3.93Å; F1938-K1951 HydrophobicContact CG-CD 4.18Å; F1938-K1951 HydrophobicContact CG-CG 4.25Å; F1938-K1951 HydrophobicContact CZ-CD 3.68Å; F1938-Y1952 CarbonylContact C-O 3.54Å; F1938-Y1952 WeakPolarHBondContact CA-O 3.26Å; F1938-Y1952 WeakPolarHBondContact CB-O 3.46Å |
| 1939 | V | 48.1 | Very low | 48 | Very low | 21 Ų | 21 | 59.5 Ų | 59.5 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.3 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | V1932 I1934 Y1952 M1954 | V1932-V1939 HydrophobicContact CG1-CG1 3.9Å; I1934-V1939 HydrophobicContact CG1-CG1 4.49Å; I1934-V1939 HydrophobicContact CG1-CG2 4.31Å; I1934-V1939 HydrophobicContact CG2-CG2 4.43Å; V1939-Y1952 PolarHBondContact N-O 2.84Å; V1939-Y1952 PolarHBondContact O-N 3.27Å; V1939-M1954 HydrophobicContact CG2-CG 4.37Å; V1939-M1954 HydrophobicContact CG2-SD 3.88Å |
| 1940 | Q | 53.9 | Low | 48.3 | Very low | 31 Ų | 31 | 60 Ų | 60 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139.2 | 175.8 | -169.1 | 170.6 | 26.2 | 0 | 0 | 110.9 | T1933 T1947 K1951 | T1933-Q1940 PolarHBondContact N-O 3.18Å; T1933-Q1940 PolarHBondContact O-N 2.87Å; Q1940-T1947 HydrophobicContact CG-CG2 4.19Å; Q1940-K1951 HydrophobicContact CB-CG 4.25Å; Q1940-K1951 HydrophobicContact CG-CG 4.22Å |
| 1941 | V | 50.5 | Low | 48.6 | Very low | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.6 | -178.7 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | F1902 V1932 V1948 S1949 | F1902-V1941 HydrophobicContact CE1-CG1 4.27Å; V1932-V1941 HydrophobicContact CG2-CG2 4.48Å; V1941-V1948 HydrophobicContact CB-CG2 4.42Å; V1941-V1948 HydrophobicContact CG1-CG2 4.16Å; V1941-V1948 WeakPolarHBondContact O-CG2 3.47Å; V1941-V1948 PolarHBondContact O-N 2.91Å; V1941-S1949 PolarHBondContact N-OG 3.03Å; V1941-S1949 PolarHBondContact O-N 3.34Å |
| 1942 | T | 47.7 | Very low | 48.6 | Very low | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.1 | -179 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | L1931 R1946 | L1931-T1942 PolarHBondContact N-O 3.47Å; L1931-T1942 PolarHBondContact O-N 2.9Å; T1942-R1946 CarbonylContact C-O 3.6Å; T1942-R1946 WeakPolarHBondContact CA-O 3.33Å; T1942-R1946 WeakPolarHBondContact CG2-O 3.41Å |
| 1943 | L | 48.7 | Very low | 48.3 | Very low | 20 Ų | 20 | 72.6 Ų | 72.6 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123 | 174.5 | -71 | 173.3 | 0 | 0 | 0 | 108.9 | F1916 L1928 N1929 A1930 N1945 R1946 V1948 | F1916-L1943 HydrophobicContact CE2-CD1 4.14Å; L1928-L1943 HydrophobicContact CD1-CD2 4.4Å; L1928-L1943 HydrophobicContact CD2-CD2 4.19Å; L1928-L1943 HydrophobicContact CG-CD2 4.15Å; N1929-L1943 WeakPolarHBondContact O-CA 3.17Å; A1930-L1943 HydrophobicContact CB-CD2 3.88Å; L1943-N1945 VanDerWaalsContact C-N 3.3Å; L1943-N1945 PolarHBondContact O-N 2.8Å; L1943-R1946 PolarHBondContact N-O 3.41Å; L1943-R1946 PolarHBondContact O-N 2.92Å; L1943-V1948 HydrophobicContact CB-CG1 4.3Å; L1943-V1948 HydrophobicContact CB-CG2 4.33Å; L1943-V1948 HydrophobicContact CD1-CG1 4.31Å; L1943-V1948 HydrophobicContact CD1-CG2 3.95Å; L1943-V1948 HydrophobicContact CG-CG2 3.88Å |
| 1944 | D | 54.5 | Low | 48 | Very low | 60 Ų | 60 | 74 Ų | 74 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 53.9 | 179.4 | -62.4 | -49.3 | 0 | 0 | 0 | 113.3 | N1929 R1946 | N1929-D1944 VanDerWaalsContact CB-OD1 3.25Å; N1929-D1944 WeakPolarHBondContact CB-OD1 3.31Å; N1929-D1944 PolarHBondContact N-OD1 3.13Å; N1929-D1944 PolarHBondContact ND2-OD1 3.37Å; N1929-D1944 PolarHBondContact O-N 3.04Å; D1944-R1946 PolarHBondContact O-N 2.76Å; D1944-R1946 VanDerWaalsContact O-N 3.13Å |
| 1945 | N | 51.7 | Low | 47.7 | Very low | 154 Ų | 154 | 76.4 Ų | 76.4 | 82% | 0.824 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 5.4 | -176.5 | -63.4 | -22.2 | 0 | 0 | 0 | 116.8 | L1943 | L1943-N1945 VanDerWaalsContact C-N 3.3Å; L1943-N1945 PolarHBondContact O-N 2.8Å |
| 1946 | R | 47.9 | Very low | 47 | Very low | 178 Ų | 178 | 82.2 Ų | 82.2 | 67% | 0.672 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.4 | 167.7 | -67.6 | -175.3 | 174.1 | -172.3 | -1.4 | 110.9 | T1942 L1943 D1944 V1948 | T1942-R1946 CarbonylContact C-O 3.6Å; T1942-R1946 WeakPolarHBondContact CA-O 3.33Å; T1942-R1946 WeakPolarHBondContact CG2-O 3.41Å; L1943-R1946 PolarHBondContact N-O 3.41Å; L1943-R1946 PolarHBondContact O-N 2.92Å; D1944-R1946 PolarHBondContact O-N 2.76Å; D1944-R1946 VanDerWaalsContact O-N 3.13Å; R1946-V1948 PolarHBondContact O-N 3.48Å |
| 1947 | T | 53.6 | Low | 46.4 | Very low | 84 Ų | 84 | 76.2 Ų | 76.2 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 119.5 | 169.5 | -64.4 | 0 | 0 | 0 | 0 | 109.4 | Q1940 S1949 | Q1940-T1947 HydrophobicContact CG-CG2 4.19Å; T1947-S1949 WeakPolarHBondContact CG2-O 3.4Å |
| 1948 | V | 52.8 | Low | 45.7 | Very low | 51 Ų | 51 | 80 Ų | 80 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | trans | -111.8 | -12.7 | -179.6 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | V1941 L1943 R1946 | V1941-V1948 HydrophobicContact CB-CG2 4.42Å; V1941-V1948 HydrophobicContact CG1-CG2 4.16Å; V1941-V1948 WeakPolarHBondContact O-CG2 3.47Å; V1941-V1948 PolarHBondContact O-N 2.91Å; L1943-V1948 HydrophobicContact CB-CG1 4.3Å; L1943-V1948 HydrophobicContact CB-CG2 4.33Å; L1943-V1948 HydrophobicContact CD1-CG1 4.31Å; L1943-V1948 HydrophobicContact CD1-CG2 3.95Å; L1943-V1948 HydrophobicContact CG-CG2 3.88Å; R1946-V1948 PolarHBondContact O-N 3.48Å | ||
| 1949 | S | 47.5 | Very low | 44.5 | Very low | 8 Ų | 8 | 82.1 Ų | 82.1 | 6% | 0.056 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -114.5 | 150.7 | 170.8 | 88.6 | 0 | 0 | 0 | 0 | 112.6 | V1941 T1947 | V1941-S1949 PolarHBondContact N-OG 3.03Å; V1941-S1949 PolarHBondContact O-N 3.34Å; T1947-S1949 WeakPolarHBondContact CG2-O 3.4Å |
| 1950 | P | 49.1 | Very low | 43.5 | Very low | 82 Ų | 82 | 84.1 Ų | 84.1 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | trans | -63.2 | 167.4 | 157.6 | 30.6 | -34.6 | 0 | 0 | 0 | 110.6 | Y1952 | P1950-Y1952 HydrophobicContact CG-CD2 4.35Å; P1950-Y1952 HydrophobicContact CG-CE2 3.65Å; P1950-Y1952 WeakPolarHBondContact O-CD2 3.45Å; P1950-Y1952 PolarHBondContact O-N 2.79Å | ||
| 1951 | K | 47.2 | Very low | 42.4 | Very low | 102 Ų | 102 | 86 Ų | 86 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | trans | -75.8 | 113.5 | 173 | -70.3 | -175.6 | 162.7 | -158.5 | 0 | 109.4 | E1935 F1938 Q1940 | E1935-K1951 IonicContact OE1-NZ 2.65Å; E1935-K1951 PolarHBondContact OE1-NZ 2.9Å; E1935-K1951 VanDerWaalsContact OE1-NZ 3.1Å; F1938-K1951 HydrophobicContact CB-CB 4.18Å; F1938-K1951 HydrophobicContact CD1-CD 4.39Å; F1938-K1951 HydrophobicContact CD2-CB 3.8Å; F1938-K1951 HydrophobicContact CD2-CD 3.64Å; F1938-K1951 HydrophobicContact CD2-CG 3.66Å; F1938-K1951 HydrophobicContact CE1-CD 4.16Å; F1938-K1951 HydrophobicContact CE2-CB 4.44Å; F1938-K1951 HydrophobicContact CE2-CD 3.37Å; F1938-K1951 HydrophobicContact CE2-CG 3.86Å; F1938-K1951 HydrophobicContact CG-CB 3.93Å; F1938-K1951 HydrophobicContact CG-CD 4.18Å; F1938-K1951 HydrophobicContact CG-CG 4.25Å; F1938-K1951 HydrophobicContact CZ-CD 3.68Å; Q1940-K1951 HydrophobicContact CB-CG 4.25Å; Q1940-K1951 HydrophobicContact CG-CG 4.22Å | ||
| 1952 | Y | 46 | Very low | 41.5 | Very low | 107 Ų | 107 | 87.9 Ų | 87.9 | 42% | 0.42 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123 | 179.8 | -80.1 | -78.9 | 0 | 0 | 0 | 111.5 | L1914 F1938 V1939 P1950 M1954 | L1914-Y1952 HydrophobicContact CD1-CD2 4.34Å; L1914-Y1952 HydrophobicContact CD1-CE2 3.83Å; L1914-Y1952 HydrophobicContact CD2-CE2 4.15Å; F1938-Y1952 CarbonylContact C-O 3.54Å; F1938-Y1952 WeakPolarHBondContact CA-O 3.26Å; F1938-Y1952 WeakPolarHBondContact CB-O 3.46Å; V1939-Y1952 PolarHBondContact N-O 2.84Å; V1939-Y1952 PolarHBondContact O-N 3.27Å; P1950-Y1952 HydrophobicContact CG-CD2 4.35Å; P1950-Y1952 HydrophobicContact CG-CE2 3.65Å; P1950-Y1952 WeakPolarHBondContact O-CD2 3.45Å; P1950-Y1952 PolarHBondContact O-N 2.79Å; Y1952-M1954 PolarHBondContact O-N 3.47Å |
| 1953 | P | 39.3 | Very low | 40.7 | Very low | 112 Ų | 112 | 92.6 Ų | 92.6 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.2 | -176.7 | 24.8 | -33.7 | 0 | 0 | 0 | 112.4 | D1937 | D1937-P1953 CarbonylContact O-C 3.58Å; D1937-P1953 VanDerWaalsContact O-CA 3.29Å; D1937-P1953 WeakPolarHBondContact O-CA 3.24Å |
| 1954 | M | 38 | Very low | 39.9 | Very low | 54 Ų | 54 | 94.4 Ų | 94.4 | 27% | 0.266 | 49% | 0.492 | S | S | . | . | trans | -107 | 116.1 | -170.3 | -171.2 | 174.2 | -177.6 | 0 | 0 | 111.9 | I1934 D1937 V1939 Y1952 L1960 | I1934-M1954 HydrophobicContact CG2-CE 4.19Å; I1934-M1954 HydrophobicContact CG2-SD 3.56Å; I1934-M1954 VanDerWaalsContact CG2-SD 3.56Å; D1937-M1954 PolarHBondContact O-N 2.86Å; V1939-M1954 HydrophobicContact CG2-CG 4.37Å; V1939-M1954 HydrophobicContact CG2-SD 3.88Å; Y1952-M1954 PolarHBondContact O-N 3.47Å; M1954-L1960 HydrophobicContact CE-CD1 3.87Å; M1954-L1960 HydrophobicContact CE-CD2 3.93Å | ||
| 1955 | P | 36.2 | Very low | 38.9 | Very low | 80 Ų | 80 | 99 Ų | 99 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | trans | -68.4 | 149.5 | 174 | -19.9 | 33.4 | 0 | 0 | 0 | 112.9 | L1957 | P1955-L1957 HydrophobicContact CB-CD1 4.24Å; P1955-L1957 HydrophobicContact CB-CG 4.48Å; P1955-L1957 PolarHBondContact O-N 2.86Å | ||
| 1956 | K | 31.7 | Very low | 38.1 | Very low | 208 Ų | 208 | 93 Ų | 93 | 90% | 0.904 | 48% | 0.483 | S | S | * | . | trans | -63.3 | 87.9 | 177.2 | -62.8 | 177.1 | -179.1 | 176.4 | 0 | 112.1 | ||||
| 1957 | L | 31.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | trans | -137.9 | 153.6 | -176.8 | -69.7 | 172.1 | 0 | 0 | 0 | 113.3 | V1906 N1907 P1955 | V1906-L1957 HydrophobicContact CG1-CD1 3.48Å; V1906-L1957 VanDerWaalsContact CG1-CD1 3.48Å; N1907-L1957 VanDerWaalsContact ND2-CD2 3.3Å; N1907-L1957 WeakPolarHBondContact ND2-CD2 3.39Å; P1955-L1957 HydrophobicContact CB-CD1 4.24Å; P1955-L1957 HydrophobicContact CB-CG 4.48Å; P1955-L1957 PolarHBondContact O-N 2.86Å | ||
| 1958 | H | 30.5 | Very low | 36.7 | Very low | 193 Ų | 193 | 89.5 Ų | 89.5 | 89% | 0.894 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -100.5 | -6.5 | -156.5 | -84.1 | -93.2 | 0 | 0 | 0 | 116.6 | ||
| 1959 | S | 29.6 | Very low | 35.8 | Very low | 84 Ų | 84 | 91.4 Ų | 91.4 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | trans | -146.1 | 135.2 | 179 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1960 | L | 26.1 | Very low | 35.1 | Very low | 63 Ų | 63 | 98.9 Ų | 98.9 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.5 | -174.9 | -142 | 80.2 | 0 | 0 | 0 | 110.8 | L1904 V1906 I1934 M1954 | L1904-L1960 HydrophobicContact CD1-CD2 4.49Å; V1906-L1960 HydrophobicContact CG2-CD1 4.46Å; I1934-L1960 HydrophobicContact CD1-CD2 3.69Å; M1954-L1960 HydrophobicContact CE-CD1 3.87Å; M1954-L1960 HydrophobicContact CE-CD2 3.93Å |
| 1961 | C | 30.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 98.9 Ų | 98.9 | 48% | 0.48 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.6 | 167.6 | -76.3 | 0 | 0 | 0 | 0 | 109.2 | M1905 F1963 | M1905-C1961 PolarHBondContact N-O 3.23Å; C1961-F1963 HydrophobicContact CB-CD2 4.41Å; C1961-F1963 HydrophobicContact CB-CE2 4.02Å |
| 1962 | V | 31.7 | Very low | 33.6 | Very low | 51 Ų | 51 | 97.3 Ų | 97.3 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.4 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | L1904 | L1904-V1962 HydrophobicContact CD1-CG2 3.91Å |
| 1963 | F | 31.6 | Very low | 32.7 | Very low | 113 Ų | 113 | 94.7 Ų | 94.7 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.6 | 176.3 | -79 | -86 | 0 | 0 | 0 | 110.8 | S1903 W1910 C1961 | S1903-F1963 PolarHBondContact N-O 2.85Å; S1903-F1963 PolarHBondContact O-N 2.88Å; S1903-F1963 VanDerWaalsContact O-N 3.16Å; W1910-F1963 HydrophobicContact CH2-CB 4.06Å; W1910-F1963 AromaticContact CH2-CD2 3.81Å; W1910-F1963 HydrophobicContact CH2-CD2 3.81Å; W1910-F1963 HydrophobicContact CH2-CG 4.14Å; W1910-F1963 HydrophobicContact CZ3-CB 4.32Å; W1910-F1963 HydrophobicContact CZ3-CD2 4.34Å; C1961-F1963 HydrophobicContact CB-CD2 4.41Å; C1961-F1963 HydrophobicContact CB-CE2 4.02Å |
| 1964 | V | 32.3 | Very low | 32.1 | Very low | 58 Ų | 58 | 94 Ų | 94 | 35% | 0.352 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.4 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | F1902 | F1902-V1964 HydrophobicContact CD1-CG2 4.11Å; F1902-V1964 HydrophobicContact CD2-CG1 4.17Å; F1902-V1964 HydrophobicContact CE1-CG2 3.58Å; F1902-V1964 HydrophobicContact CE2-CG1 3.65Å; F1902-V1964 HydrophobicContact CE2-CG2 4.21Å; F1902-V1964 HydrophobicContact CZ-CB 4.38Å; F1902-V1964 HydrophobicContact CZ-CG1 3.86Å; F1902-V1964 HydrophobicContact CZ-CG2 3.63Å |
| 1965 | K | 33.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 95 Ų | 95 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.4 | 177.6 | -172 | -177.8 | 178.5 | -174 | 0 | 110.5 | T1901 | T1901-K1965 PolarHBondContact N-O 3.26Å; T1901-K1965 PolarHBondContact O-N 3.19Å; T1901-K1965 VanDerWaalsContact O-O 3.11Å |
| 1966 | G | 33.7 | Very low | 31.2 | Very low | 29 Ų | 29 | 95.9 Ų | 95.9 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -173.8 | 169.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1968 | G1966-V1968 PolarHBondContact O-N 2.84Š|
| 1967 | D | 39.2 | Very low | 30.9 | Very low | 115 Ų | 115 | 91.6 Ų | 91.6 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | trans | -76.3 | 94.3 | 175.5 | -175.8 | 2.8 | 0 | 0 | 0 | 110.5 | S1969 | D1967-S1969 VanDerWaalsContact C-N 3.29Å; D1967-S1969 VanDerWaalsContact CG-OG 3.29Å; D1967-S1969 WeakPolarHBondContact OD1-CB 3.25Å; D1967-S1969 PolarHBondContact OD1-N 3.25Å; D1967-S1969 PolarHBondContact OD1-OG 3.34Å; D1967-S1969 PolarHBondContact OD2-OG 2.94Å | ||
| 1968 | V | 33.5 | Very low | 30.7 | Very low | 73 Ų | 73 | 94.2 Ų | 94.2 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -86.1 | 7.6 | 178.9 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | W1900 G1966 K1970 Y1971 V1973 | W1900-V1968 HydrophobicContact CH2-CG1 4.34Å; W1900-V1968 HydrophobicContact CZ3-CG1 4.03Å; G1966-V1968 PolarHBondContact O-N 2.84Å; V1968-K1970 PolarHBondContact O-N 3.31Å; V1968-Y1971 PolarHBondContact O-N 2.76Å; V1968-V1973 HydrophobicContact CB-CG2 4.5Å; V1968-V1973 HydrophobicContact CG1-CG2 3.67Å |
| 1969 | S | 33.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 94.3 Ų | 94.3 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -56.7 | -21.7 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | D1967 | D1967-S1969 VanDerWaalsContact C-N 3.29Å; D1967-S1969 VanDerWaalsContact CG-OG 3.29Å; D1967-S1969 WeakPolarHBondContact OD1-CB 3.25Å; D1967-S1969 PolarHBondContact OD1-N 3.25Å; D1967-S1969 PolarHBondContact OD1-OG 3.34Å; D1967-S1969 PolarHBondContact OD2-OG 2.94Å |
| 1970 | K | 32 | Very low | 30.3 | Very low | 165 Ų | 165 | 100.2 Ų | 100.2 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -108.7 | -2.3 | 179.3 | -61.5 | -175.5 | -178.9 | -178.8 | 0 | 115 | V1968 | V1968-K1970 PolarHBondContact O-N 3.31Š|
| 1971 | Y | 33.6 | Very low | 30.2 | Very low | 83 Ų | 83 | 106.8 Ų | 106.8 | 33% | 0.325 | 55% | 0.547 | S | S | . | . | trans | -135.4 | 134 | -167.2 | -61.9 | -76.5 | 0 | 0 | 0 | 113.9 | W1900 V1968 | W1900-Y1971 AromaticContact CH2-CD2 3.92Å; W1900-Y1971 HydrophobicContact CH2-CD2 3.92Å; W1900-Y1971 HydrophobicContact CH2-CE2 4.38Å; W1900-Y1971 HydrophobicContact CZ2-CD2 4.02Å; W1900-Y1971 HydrophobicContact CZ2-CE2 4.01Å; V1968-Y1971 PolarHBondContact O-N 2.76Å | ||
| 1972 | S | 31.3 | Very low | 29.9 | Very low | 68 Ų | 68 | 113 Ų | 113 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 114.3 | 163.6 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | K1926 T1927 L1928 | K1926-S1972 PolarHBondContact O-N 2.88Å; K1926-S1972 PolarHBondContact O-OG 2.91Å; T1927-S1972 PolarHBondContact OG1-OG 2.75Å; L1928-S1972 PolarHBondContact N-O 2.92Å |
| 1973 | V | 27.4 | Very low | 29.5 | Very low | 53 Ų | 53 | 112.7 Ų | 112.7 | 32% | 0.321 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 119.2 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | V1968 | V1968-V1973 HydrophobicContact CB-CG2 4.5Å; V1968-V1973 HydrophobicContact CG1-CG2 3.67Å |
| 1974 | L | 27.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 107.5 | 170.4 | -142.3 | 81.9 | 0 | 0 | 0 | 109.1 | L1928 A1930 L1976 | L1928-L1974 PolarHBondContact O-N 2.71Å; A1930-L1974 PolarHBondContact N-O 3.32Å; L1974-L1976 HydrophobicContact CD2-CD1 4.39Å |
| 1975 | A | 26.9 | Very low | 28.8 | Very low | 73 Ų | 73 | 115.3 Ų | 115.3 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 115.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1930 | A1930-A1975 WeakPolarHBondContact O-CA 3.37Å |
| 1976 | L | 27.5 | Very low | 28.3 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.9 | 179 | -82.4 | 164.4 | 0 | 0 | 0 | 111 | A1930 L1931 V1932 L1974 | A1930-L1976 PolarHBondContact O-N 3.17Å; A1930-L1976 VanDerWaalsContact O-N 3.09Å; L1931-L1976 HydrophobicContact CD1-CB 3.85Å; V1932-L1976 PolarHBondContact N-O 2.74Å; L1974-L1976 HydrophobicContact CD2-CD1 4.39Å |
| 1977 | L | 25.1 | Very low | 27.8 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.9 | 170.9 | -79.9 | 161.3 | 0 | 0 | 0 | 108.8 | V1932 I1934 | V1932-L1977 HydrophobicContact CB-CD2 4.17Å; V1932-L1977 HydrophobicContact CG1-CD2 4.28Å; I1934-L1977 HydrophobicContact CD1-CD2 3.59Å; I1934-L1977 HydrophobicContact CG1-CD2 4.19Å |
| 1978 | Q | 28 | Very low | 27.1 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | trans | -81.5 | 153 | -176.4 | -142.4 | 173 | 15.8 | 0 | 0 | 112.8 | L1931 W1980 | L1931-Q1978 HydrophobicContact CD1-CB 4.43Å; Q1978-W1980 PolarHBondContact O-N 2.82Å | ||
| 1979 | K | 27.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | trans | -72.4 | 122.5 | -155.5 | -163.9 | 175.3 | -173.9 | 176.7 | 0 | 113.7 | K1981 | K1979-K1981 PolarHBondContact O-N 3.45Š| ||
| 1980 | W | 24.1 | Very low | 26.1 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | trans | -50.6 | 115.4 | 171 | -134.2 | 38.6 | 0 | 0 | 0 | 111 | Q1978 K1982 | Q1978-W1980 PolarHBondContact O-N 2.82Å; W1980-K1982 PolarHBondContact O-N 3.46Å; W1980-K1982 VanDerWaalsContact O-N 3.16Å | ||
| 1981 | K | 23.4 | Very low | 25.6 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | trans | -73.6 | 103.8 | 175.1 | -84 | -174.3 | 176.2 | 177.4 | 0 | 109.8 | K1979 G1983 | K1979-K1981 PolarHBondContact O-N 3.45Å; K1981-G1983 PolarHBondContact O-N 3.46Å; K1981-G1983 VanDerWaalsContact O-N 3.15Å | ||
| 1982 | K | 25.1 | Very low | 25.2 | Very low | 202 Ų | 202 | 131.2 Ų | 131.2 | 88% | 0.878 | 71% | 0.711 | S | S | * | * | trans | -62.6 | 109.5 | 167.3 | -74.9 | -171.9 | 172.9 | -169.9 | 0 | 109.9 | W1980 | W1980-K1982 PolarHBondContact O-N 3.46Å; W1980-K1982 VanDerWaalsContact O-N 3.16Å | ||
| 1983 | G | 23.4 | Very low | 24.6 | Very low | 45 Ų | 45 | 137.7 Ų | 137.7 | 46% | 0.464 | 74% | 0.736 | S | S | . | * | trans | -88.9 | 135.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K1981 P1985 | K1981-G1983 PolarHBondContact O-N 3.46Å; K1981-G1983 VanDerWaalsContact O-N 3.15Å; G1983-P1985 WeakPolarHBondContact O-CD 3.38Å | ||
| 1984 | S | 23.8 | Very low | 24.4 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -65.5 | 133.5 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1985 | P | 25.1 | Very low | 24.1 | Very low | 123 Ų | 123 | 149 Ų | 149 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -101.5 | 93.6 | 150.6 | 32.5 | -19 | 0 | 0 | 0 | 108 | G1983 | G1983-P1985 WeakPolarHBondContact O-CD 3.38Š| ||
| 1986 | D | 22.5 | Very low | 23.8 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -70.1 | 161.4 | 166.1 | -67.1 | -66.6 | 0 | 0 | 0 | 110.3 | ||||
| 1987 | N | 23.6 | Very low | 23.6 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | 60.7 | 75.6 | 170.5 | -59.7 | -27.5 | 0 | 0 | 0 | 117.3 | ||||
| 1988 | A | 23.9 | Very low | 23.5 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -126.6 | 114.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1989 | S | 23.5 | Very low | 23.2 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -82.4 | 165.7 | -169.9 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | Q1991 | S1989-Q1991 PolarHBondContact O-N 3.05Å; S1989-Q1991 VanDerWaalsContact O-N 3.13Å | ||
| 1990 | R | 23 | Very low | 23 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -52.7 | 110.6 | 176.4 | -60.2 | 168 | 177.9 | 166.7 | -3.1 | 112.4 | ||
| 1991 | Q | 22.4 | Very low | 22.8 | Very low | 203 Ų | 203 | 145 Ų | 145 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -168.7 | 132.8 | 147 | -106.4 | 169.1 | 33.5 | 0 | 0 | 108.2 | S1989 | S1989-Q1991 PolarHBondContact O-N 3.05Å; S1989-Q1991 VanDerWaalsContact O-N 3.13Å | ||
| 1992 | G | 23.5 | Very low | 22.7 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 153.9 | 1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | K1994 | G1992-K1994 PolarHBondContact O-N 2.8Š| ||
| 1993 | M | 19 | Very low | 22.6 | Very low | 203 Ų | 203 | 145 Ų | 145 | 100% | 1 | 81% | 0.814 | S | S | * | * | trans | -73 | 62.5 | 169.5 | -81.2 | -170 | 168.4 | 0 | 0 | 111.8 | K1995 | M1993-K1995 PolarHBondContact O-N 3.12Š| ||
| 1994 | K | 23.3 | Very low | 22.6 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | -78 | 113 | 161 | -85.5 | -167.5 | 172.4 | -176.3 | 0 | 108.2 | G1992 L1996 | G1992-K1994 PolarHBondContact O-N 2.8Å; K1994-L1996 PolarHBondContact O-N 3.19Å; K1994-L1996 VanDerWaalsContact O-N 3.15Å | ||
| 1995 | K | 21.8 | Very low | 22.5 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -55.5 | 116.6 | 165.1 | -70.5 | 177.5 | 175.7 | 178.3 | 0 | 108.3 | M1993 T1997 | M1993-K1995 PolarHBondContact O-N 3.12Å; K1995-T1997 VanDerWaalsContact C-N 3.31Å; K1995-T1997 PolarHBondContact O-N 3.12Å | ||
| 1996 | L | 21.3 | Very low | 22.4 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -78.1 | 91.6 | 156.5 | -82.6 | 167.4 | 0 | 0 | 0 | 106.8 | K1994 | K1994-L1996 PolarHBondContact O-N 3.19Å; K1994-L1996 VanDerWaalsContact O-N 3.15Å | ||
| 1997 | T | 22.1 | Very low | 22.3 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 70% | 0.699 | 83% | 0.833 | S | S | * | * | trans | -58 | 132 | 169.3 | -45.4 | 0 | 0 | 0 | 0 | 108.3 | K1995 A1999 | K1995-T1997 VanDerWaalsContact C-N 3.31Å; K1995-T1997 PolarHBondContact O-N 3.12Å; T1997-A1999 PolarHBondContact O-N 3.39Å | ||
| 1998 | P | 23.1 | Very low | 22.4 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -58.9 | 126.1 | 178 | -23.4 | 33.8 | 0 | 0 | 0 | 110.5 | T2000 | P1998-T2000 PolarHBondContact O-N 3.05Å; P1998-T2000 VanDerWaalsContact O-N 3.16Å | ||
| 1999 | A | 21.2 | Very low | 22.4 | Very low | 95 Ų | 95 | 153.5 Ų | 153.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -68.3 | 112.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1997 S2001 | T1997-A1999 PolarHBondContact O-N 3.39Å; A1999-S2001 PolarHBondContact O-N 2.7Å | ||
| 2000 | T | 23.1 | Very low | 22.4 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -75.2 | 105.1 | 174.3 | 47.1 | 0 | 0 | 0 | 0 | 110 | P1998 | P1998-T2000 PolarHBondContact O-N 3.05Å; P1998-T2000 VanDerWaalsContact O-N 3.16Å | ||
| 2001 | S | 21.3 | Very low | 22.4 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -140.6 | 99.3 | 168 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | A1999 | A1999-S2001 PolarHBondContact O-N 2.7Š| ||
| 2002 | E | 21.8 | Very low | 22.5 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 29.1 | 148.1 | 140 | -59.9 | -177.3 | 113.5 | 0 | 0 | 122.7 | V2004 | E2002-V2004 PolarHBondContact O-N 2.9Å; E2002-V2004 VanDerWaalsContact O-N 3.16Å | ||
| 2003 | K | 22.3 | Very low | 22.5 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 107.5 | 170.9 | -59 | 166.4 | -178.1 | 169.6 | 0 | 110.6 | ||||
| 2004 | V | 23.1 | Very low | 22.7 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -127.7 | 142.2 | 159.3 | -174 | 0 | 0 | 0 | 0 | 109.1 | E2002 | E2002-V2004 PolarHBondContact O-N 2.9Å; E2002-V2004 VanDerWaalsContact O-N 3.16Å | ||
| 2005 | S | 21.6 | Very low | 22.5 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 129.4 | -172.9 | 41.2 | 0 | 0 | 0 | 0 | 112.7 | S2007 | S2005-S2007 VanDerWaalsContact C-N 3.29Å; S2005-S2007 PolarHBondContact O-N 2.89Å | ||
| 2006 | L | 22.1 | Very low | 22.5 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -70.5 | 86.3 | 167.8 | -96.9 | 163.6 | 0 | 0 | 0 | 109.8 | ||||
| 2007 | S | 22.3 | Very low | 22.6 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -68.5 | 158.9 | 170.3 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | S2005 K2009 | S2005-S2007 VanDerWaalsContact C-N 3.29Å; S2005-S2007 PolarHBondContact O-N 2.89Å; S2007-K2009 PolarHBondContact O-N 2.67Å | ||
| 2008 | E | 24.3 | Very low | 22.6 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -67.3 | 6.4 | -155.6 | -60.6 | -170.9 | 78.8 | 0 | 0 | 117.9 | R2010 K2011 | E2008-R2010 VanDerWaalsContact C-N 3.31Å; E2008-R2010 PolarHBondContact O-N 3.41Å; E2008-R2010 VanDerWaalsContact O-N 3.09Å; E2008-K2011 IonicContact OE1-NZ 3.77Å; E2008-K2011 PolarHBondContact OE1-NZ 2.72Å |
| 2009 | K | 23.9 | Very low | 22.6 | Very low | 204 Ų | 204 | 150 Ų | 150 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 16.9 | -161.6 | -113.2 | 178 | -178.2 | 177.5 | 0 | 117.2 | S2007 | S2007-K2009 PolarHBondContact O-N 2.67Š|
| 2010 | R | 24 | Very low | 22.7 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 22.9 | 172 | -77.3 | -166.5 | 175.6 | -179.3 | 0.5 | 115 | E2008 N2012 | E2008-R2010 VanDerWaalsContact C-N 3.31Å; E2008-R2010 PolarHBondContact O-N 3.41Å; E2008-R2010 VanDerWaalsContact O-N 3.09Å; R2010-N2012 PolarHBondContact O-N 2.63Å |
| 2011 | K | 23.7 | Very low | 22.7 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -64.2 | -14.9 | 172 | -96.7 | 170.8 | 177.7 | 163.9 | 0 | 115.1 | E2008 | E2008-K2011 IonicContact OE1-NZ 3.77Å; E2008-K2011 PolarHBondContact OE1-NZ 2.72Å |
| 2012 | N | 23.8 | Very low | 22.9 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.3 | -25.2 | -163.4 | -67.4 | 8.4 | 0 | 0 | 0 | 115.7 | R2010 I2014 | R2010-N2012 PolarHBondContact O-N 2.63Å; N2012-I2014 VanDerWaalsContact C-N 3.32Å |
| 2013 | D | 24.5 | Very low | 23.1 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -87.5 | -2.9 | -176.3 | -59 | -38.7 | 0 | 0 | 0 | 113.2 | ||
| 2014 | I | 22.1 | Very low | 23.2 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 64% | 0.641 | 73% | 0.732 | S | S | * | * | trans | -107.4 | 77.8 | -172.8 | -50.8 | 176.8 | 0 | 0 | 0 | 109.2 | N2012 A2016 | N2012-I2014 VanDerWaalsContact C-N 3.32Å; I2014-A2016 PolarHBondContact O-N 2.83Å | ||
| 2015 | M | 20.4 | Very low | 23.5 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | trans | -70.3 | 101.7 | 176.7 | -79.6 | -164.1 | 172.3 | 0 | 0 | 111.7 | F2017 | M2015-F2017 PolarHBondContact O-N 3.12Š| ||
| 2016 | A | 21.2 | Very low | 23.9 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | trans | -62.9 | 121.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2014 K2018 | I2014-A2016 PolarHBondContact O-N 2.83Å; A2016-K2018 PolarHBondContact O-N 2.89Å | ||
| 2017 | F | 22.3 | Very low | 24.5 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 83% | 0.833 | 68% | 0.68 | S | S | * | * | trans | -74.6 | 85.3 | 174.5 | -99.2 | -93.2 | 0 | 0 | 0 | 111.1 | M2015 W2019 | M2015-F2017 PolarHBondContact O-N 3.12Å; F2017-W2019 PolarHBondContact O-N 2.99Å | ||
| 2018 | K | 22 | Very low | 25 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -71.6 | 87.4 | -178.9 | -166.1 | 172.7 | -174.8 | 174.8 | 0 | 112.1 | A2016 N2020 | A2016-K2018 PolarHBondContact O-N 2.89Å; K2018-N2020 PolarHBondContact O-N 3.41Å | ||
| 2019 | W | 23.7 | Very low | 25.6 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | trans | -76.4 | 97.4 | 176.1 | -101 | 57.8 | 0 | 0 | 0 | 112 | F2017 S2021 Y2140 | F2017-W2019 PolarHBondContact O-N 2.99Å; W2019-S2021 PolarHBondContact O-N 3.19Å; W2019-Y2140 HydrophobicContact CZ3-CE2 4.37Å | ||
| 2020 | N | 23.8 | Very low | 26.1 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 63% | 0.63 | S | S | * | * | trans | -76.1 | 60.8 | 166.9 | -76 | 2.5 | 0 | 0 | 0 | 111 | K2018 | K2018-N2020 PolarHBondContact O-N 3.41Š| ||
| 2021 | S | 23.1 | Very low | 26.7 | Very low | 56 Ų | 56 | 114.3 Ų | 114.3 | 39% | 0.392 | 60% | 0.596 | S | S | . | * | trans | -127.9 | 129.6 | 173.3 | -171.3 | 0 | 0 | 0 | 0 | 110 | W2019 | W2019-S2021 PolarHBondContact O-N 3.19Š| ||
| 2022 | T | 25.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 111 Ų | 111 | 76% | 0.761 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -69.8 | 135.3 | -179.3 | 37.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 2023 | T | 25.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 104.5 Ų | 104.5 | 74% | 0.742 | 55% | 0.553 | S | S | * | * | trans | 54.6 | 84.1 | 168.1 | 47.7 | 0 | 0 | 0 | 0 | 116.7 | S2025 | T2023-S2025 PolarHBondContact O-N 3.15Š| ||
| 2024 | V | 25.8 | Very low | 29.1 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | trans | -77.6 | 97.2 | 150.3 | -179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2025 | S | 29.1 | Very low | 29.8 | Very low | 73 Ų | 73 | 103.9 Ų | 103.9 | 51% | 0.51 | 55% | 0.549 | S | S | . | . | trans | -85 | -16.2 | -172.1 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | T2023 | T2023-S2025 PolarHBondContact O-N 3.15Š| ||
| 2026 | M | 29.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 99.2 Ų | 99.2 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.2 | 171.9 | -84.8 | -175.4 | 172.1 | 0 | 0 | 110.6 | V2097 E2098 | M2026-V2097 WeakPolarHBondContact CA-O 3.44Å; M2026-E2098 HydrophobicContact CE-CB 4.45Å; M2026-E2098 HydrophobicContact CE-CG 4.02Å; M2026-E2098 WeakPolarHBondContact CE-OE1 3.49Å; M2026-E2098 WeakPolarHBondContact CE-OE2 3.47Å; M2026-E2098 HydrophobicContact CG-CB 4.48Å; M2026-E2098 HydrophobicContact CG-CG 4.41Å |
| 2027 | L | 33.9 | Very low | 32 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 37% | 0.366 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.9 | 161.6 | -165.8 | 78.4 | 0 | 0 | 0 | 108.5 | V2097 L2125 | L2027-V2097 HydrophobicContact CB-CB 4.28Å; L2027-V2097 HydrophobicContact CB-CG2 4.5Å; L2027-V2097 PolarHBondContact N-O 3.04Å; L2027-V2097 PolarHBondContact O-N 3.28Å; L2027-L2125 HydrophobicContact CD2-CD2 3.64Å |
| 2028 | Y | 33.3 | Very low | 33.7 | Very low | 135 Ų | 135 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.3 | 179.3 | -131.8 | -87 | 0 | 0 | 0 | 109.1 | I2030 I2094 V2096 | Y2028-I2030 HydrophobicContact CD1-CG1 4.33Å; Y2028-I2094 HydrophobicContact CE1-CG2 4.24Å; Y2028-V2096 HydrophobicContact CD2-CG1 4.46Å; Y2028-V2096 HydrophobicContact CD2-CG2 4.23Å; Y2028-V2096 HydrophobicContact CE1-CG2 4.48Å; Y2028-V2096 HydrophobicContact CE2-CG1 4.21Å; Y2028-V2096 HydrophobicContact CE2-CG2 3.68Å |
| 2029 | A | 36.1 | Very low | 35.3 | Very low | 28 Ų | 28 | 90.4 Ų | 90.4 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | I2094 A2095 | A2029-I2094 WeakPolarHBondContact O-CA 3.11Å; A2029-A2095 PolarHBondContact N-O 3.16Å; A2029-A2095 PolarHBondContact O-N 2.82Å |
| 2030 | I | 35.2 | Very low | 36.9 | Very low | 82 Ų | 82 | 82.3 Ų | 82.3 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.1 | 172.2 | -59.1 | 176.1 | 0 | 0 | 0 | 106.7 | Y2028 T2092 | Y2028-I2030 HydrophobicContact CD1-CG1 4.33Å; I2030-T2092 HydrophobicContact CG2-CG2 3.65Å |
| 2031 | V | 36.9 | Very low | 38.6 | Very low | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.042 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 108.5 | -180 | -166.7 | 0 | 0 | 0 | 0 | 108.5 | L2033 F2042 T2092 F2093 I2132 | V2031-L2033 HydrophobicContact CG1-CD1 4.3Å; V2031-L2033 HydrophobicContact CG1-CD2 3.9Å; V2031-L2033 HydrophobicContact CG1-CG 3.96Å; V2031-F2042 HydrophobicContact CG2-CE1 4.49Å; V2031-T2092 WeakPolarHBondContact O-CA 3.45Å; V2031-F2093 HydrophobicContact CB-CB 4.4Å; V2031-F2093 HydrophobicContact CB-CD1 4.44Å; V2031-F2093 HydrophobicContact CG2-CD1 4.22Å; V2031-F2093 PolarHBondContact N-O 2.78Å; V2031-F2093 PolarHBondContact O-N 3.49Å; V2031-I2132 HydrophobicContact CG1-CG2 3.7Å |
| 2032 | T | 39.2 | Very low | 40.2 | Very low | 76 Ų | 76 | 75 Ų | 75 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.5 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | T2092 | T2032-T2092 PolarHBondContact OG1-OG1 2.78Å |
| 2033 | L | 39.4 | Very low | 41.7 | Very low | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.9 | -168.7 | -67.8 | 156.6 | 0 | 0 | 0 | 110.4 | V2031 I2040 F2091 I2132 | V2031-L2033 HydrophobicContact CG1-CD1 4.3Å; V2031-L2033 HydrophobicContact CG1-CD2 3.9Å; V2031-L2033 HydrophobicContact CG1-CG 3.96Å; L2033-I2040 HydrophobicContact CD1-CD1 3.41Å; L2033-I2040 VanDerWaalsContact CD1-CD1 3.41Å; L2033-I2040 HydrophobicContact CD2-CD1 3.62Å; L2033-I2040 HydrophobicContact CG-CD1 4.05Å; L2033-F2091 HydrophobicContact CB-CD1 4.04Å; L2033-F2091 HydrophobicContact CB-CE1 3.92Å; L2033-F2091 HydrophobicContact CD1-CD1 4.2Å; L2033-F2091 HydrophobicContact CD1-CE1 3.39Å; L2033-F2091 HydrophobicContact CD1-CE2 4.11Å; L2033-F2091 HydrophobicContact CD1-CZ 3.34Å; L2033-F2091 HydrophobicContact CG-CE1 4.29Å; L2033-F2091 PolarHBondContact N-O 3.14Å; L2033-F2091 PolarHBondContact O-N 2.67Å; L2033-I2132 HydrophobicContact CD2-CD1 4.4Å; L2033-I2132 HydrophobicContact CD2-CG1 3.9Å; L2033-I2132 HydrophobicContact CD2-CG2 4.31Å |
| 2034 | K | 42.2 | Very low | 43 | Very low | 159 Ų | 159 | 65.8 Ų | 65.8 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | trans | -76.3 | 157.4 | 176.9 | -83.4 | -171.2 | 171.5 | -170.7 | 0 | 110.9 | V2036 | K2034-V2036 VanDerWaalsContact C-N 3.33Å; K2034-V2036 PolarHBondContact O-N 3.26Å | ||
| 2035 | P | 37.9 | Very low | 44.3 | Very low | 92 Ų | 92 | 64.2 Ų | 64.2 | 60% | 0.597 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -75.8 | 83.8 | -179.2 | 31.3 | -34.1 | 0 | 0 | 0 | 111 | R2089 | P2035-R2089 WeakPolarHBondContact CB-O 3.49Å; P2035-R2089 VanDerWaalsContact CD-O 3.23Å; P2035-R2089 WeakPolarHBondContact CD-O 3.43Å; P2035-R2089 VanDerWaalsContact CG-O 3.24Å; P2035-R2089 WeakPolarHBondContact CG-O 3.39Å |
| 2036 | V | 43.8 | Very low | 45.4 | Very low | 75 Ų | 75 | 61.5 Ų | 61.5 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -129.3 | 142.8 | 167.7 | -177.1 | 0 | 0 | 0 | 0 | 106.7 | K2034 Q2038 | K2034-V2036 VanDerWaalsContact C-N 3.33Å; K2034-V2036 PolarHBondContact O-N 3.26Å; V2036-Q2038 HydrophobicContact CB-CG 4.12Å; V2036-Q2038 HydrophobicContact CG1-CG 4.09Å; V2036-Q2038 PolarHBondContact O-N 3.4Å |
| 2037 | Q | 44.8 | Very low | 46.4 | Very low | 162 Ų | 162 | 61 Ų | 61 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | trans | -66.2 | 107.1 | 177.3 | -64.4 | -177.8 | -53.5 | 0 | 0 | 109.5 | V2059 | Q2037-V2059 HydrophobicContact CB-CG2 3.79Å; Q2037-V2059 HydrophobicContact CG-CG2 3.89Å | ||
| 2038 | Q | 57 | Low | 47.4 | Very low | 21 Ų | 21 | 67.4 Ų | 67.4 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | trans | -139.5 | 129.1 | -172.8 | -67 | -176.8 | -9.9 | 0 | 0 | 111.4 | V2036 I2040 T2058 A2130 | V2036-Q2038 HydrophobicContact CB-CG 4.12Å; V2036-Q2038 HydrophobicContact CG1-CG 4.09Å; V2036-Q2038 PolarHBondContact O-N 3.4Å; Q2038-I2040 HydrophobicContact CB-CD1 4.3Å; Q2038-I2040 HydrophobicContact CB-CG1 3.96Å; Q2038-T2058 PolarHBondContact N-OG1 2.9Å; Q2038-T2058 PolarHBondContact O-N 2.85Å; Q2038-T2058 PolarHBondContact O-OG1 2.84Å; Q2038-A2130 PolarHBondContact NE2-O 2.96Å; Q2038-A2130 PolarHBondContact OE1-O 2.94Å | ||
| 2039 | L | 55.2 | Low | 48.3 | Very low | 92 Ų | 92 | 63.1 Ų | 63.1 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.5 | 155.8 | 179.5 | 70.3 | 0 | 0 | 0 | 106.8 | I2041 Q2055 I2056 D2057 | L2039-I2041 HydrophobicContact CD2-CD1 4.19Å; L2039-I2041 HydrophobicContact CD2-CG1 4.43Å; L2039-I2041 HydrophobicContact CG-CG1 4.23Å; L2039-Q2055 HydrophobicContact CD1-CB 4.21Å; L2039-I2056 WeakPolarHBondContact CA-O 3.49Å; L2039-D2057 HydrophobicContact CD1-CB 4.05Å |
| 2040 | I | 57.4 | Low | 49.3 | Very low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.4 | -177.9 | -60 | 170.3 | 0 | 0 | 0 | 108 | L2033 Q2038 F2042 Q2055 I2056 I2127 I2132 | L2033-I2040 HydrophobicContact CD1-CD1 3.41Å; L2033-I2040 VanDerWaalsContact CD1-CD1 3.41Å; L2033-I2040 HydrophobicContact CD2-CD1 3.62Å; L2033-I2040 HydrophobicContact CG-CD1 4.05Å; Q2038-I2040 HydrophobicContact CB-CD1 4.3Å; Q2038-I2040 HydrophobicContact CB-CG1 3.96Å; I2040-F2042 HydrophobicContact CG2-CD2 4.26Å; I2040-F2042 HydrophobicContact CG2-CE2 3.62Å; I2040-F2042 HydrophobicContact CG2-CZ 3.99Å; I2040-Q2055 WeakPolarHBondContact O-CA 3.33Å; I2040-I2056 PolarHBondContact N-O 3.01Å; I2040-I2056 PolarHBondContact O-N 3.41Å; I2040-I2127 HydrophobicContact CG2-CG2 4.44Å; I2040-I2132 HydrophobicContact CG2-CD1 4.39Å |
| 2041 | I | 59.1 | Low | 50.6 | Low | 47 Ų | 47 | 58.7 Ų | 58.7 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.3 | -173.8 | -52.8 | 180 | 0 | 0 | 0 | 109 | L2039 T2053 Q2055 I2127 D2128 | L2039-I2041 HydrophobicContact CD2-CD1 4.19Å; L2039-I2041 HydrophobicContact CD2-CG1 4.43Å; L2039-I2041 HydrophobicContact CG-CG1 4.23Å; I2041-T2053 HydrophobicContact CG2-CG2 4.46Å; I2041-Q2055 HydrophobicContact CG1-CG 4.25Å; I2041-Q2055 HydrophobicContact CG2-CG 4.38Å; I2041-I2127 WeakPolarHBondContact O-CA 3.38Å; I2041-D2128 PolarHBondContact N-O 3.42Å; I2041-D2128 PolarHBondContact O-N 3.38Å |
| 2042 | F | 57.6 | Low | 51.9 | Low | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.8 | 164.3 | -57.9 | -95.7 | 0 | 0 | 0 | 107.7 | V2031 I2040 W2052 T2053 F2054 I2056 F2093 I2127 | V2031-F2042 HydrophobicContact CG2-CE1 4.49Å; I2040-F2042 HydrophobicContact CG2-CD2 4.26Å; I2040-F2042 HydrophobicContact CG2-CE2 3.62Å; I2040-F2042 HydrophobicContact CG2-CZ 3.99Å; F2042-W2052 HydrophobicContact CB-CZ3 4.12Å; F2042-T2053 CarbonylContact O-C 3.58Å; F2042-T2053 VanDerWaalsContact O-CA 3.3Å; F2042-T2053 WeakPolarHBondContact O-CA 3.45Å; F2042-F2054 HydrophobicContact CB-CB 4.33Å; F2042-F2054 HydrophobicContact CD2-CD1 4.27Å; F2042-F2054 PolarHBondContact N-O 3.43Å; F2042-F2054 PolarHBondContact O-N 3.34Å; F2042-I2056 HydrophobicContact CE2-CD1 3.96Å; F2042-F2093 HydrophobicContact CD1-CE1 4.03Å; F2042-F2093 HydrophobicContact CD2-CE1 4.34Å; F2042-F2093 HydrophobicContact CD2-CZ 4.25Å; F2042-F2093 AromaticContact CE1-CD1 3.87Å; F2042-F2093 HydrophobicContact CE1-CD1 3.87Å; F2042-F2093 AromaticContact CE1-CE1 3.45Å; F2042-F2093 HydrophobicContact CE1-CE1 3.45Å; F2042-F2093 VanDerWaalsContact CE1-CE1 3.45Å; F2042-F2093 HydrophobicContact CE1-CZ 4.25Å; F2042-F2093 HydrophobicContact CE2-CD1 4.1Å; F2042-F2093 AromaticContact CE2-CE1 3.81Å; F2042-F2093 HydrophobicContact CE2-CE1 3.81Å; F2042-F2093 HydrophobicContact CE2-CE2 4.44Å; F2042-F2093 AromaticContact CE2-CZ 3.97Å; F2042-F2093 HydrophobicContact CE2-CZ 3.97Å; F2042-F2093 HydrophobicContact CG-CE1 4.45Å; F2042-F2093 AromaticContact CZ-CD1 3.45Å; F2042-F2093 HydrophobicContact CZ-CD1 3.45Å; F2042-F2093 VanDerWaalsContact CZ-CD1 3.45Å; F2042-F2093 AromaticContact CZ-CE1 3.33Å; F2042-F2093 HydrophobicContact CZ-CE1 3.33Å; F2042-F2093 HydrophobicContact CZ-CG 4.17Å; F2042-F2093 AromaticContact CZ-CZ 3.99Å; F2042-F2093 HydrophobicContact CZ-CZ 3.99Å; F2042-I2127 HydrophobicContact CD1-CB 4.47Å; F2042-I2127 HydrophobicContact CD1-CD1 4.01Å; F2042-I2127 HydrophobicContact CD1-CG1 3.78Å; F2042-I2127 HydrophobicContact CD1-CG2 4.03Å; F2042-I2127 HydrophobicContact CE1-CD1 3.86Å; F2042-I2127 HydrophobicContact CE1-CG1 4.05Å; F2042-I2127 HydrophobicContact CE1-CG2 3.83Å; F2042-I2127 HydrophobicContact CZ-CG2 4.32Å |
| 2043 | Y | 57.2 | Low | 53.3 | Low | 53 Ų | 53 | 55.8 Ų | 55.8 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.8 | 173.1 | 177.8 | -67.3 | 0 | 0 | 0 | 108.8 | E2045 W2052 T2053 W2126 | Y2043-E2045 HydrophobicContact CE1-CB 4.05Å; Y2043-E2045 HydrophobicContact CE1-CG 4.46Å; Y2043-W2052 WeakPolarHBondContact CA-O 3.24Å; Y2043-T2053 HydrophobicContact CD2-CG2 3.39Å; Y2043-T2053 HydrophobicContact CE2-CG2 4.22Å; Y2043-T2053 HydrophobicContact CG-CG2 4.09Å; Y2043-W2126 AromaticContact CD1-CD1 3.93Å; Y2043-W2126 AromaticContact CD1-CE2 3.69Å; Y2043-W2126 AromaticContact CD1-CZ2 3.97Å; Y2043-W2126 HydrophobicContact CD1-CZ2 3.97Å; Y2043-W2126 AromaticContact CD1-NE1 3.07Å; Y2043-W2126 AromaticContact CE1-CZ2 3.86Å; Y2043-W2126 HydrophobicContact CE1-CZ2 3.86Å; Y2043-W2126 AromaticContact CE1-NE1 3.82Å; Y2043-W2126 AromaticContact CG-NE1 3.44Å; Y2043-W2126 PolarHBondContact N-O 3.34Å; Y2043-W2126 PolarHBondContact O-N 3.2Å; Y2043-W2126 VanDerWaalsContact O-N 3.08Å |
| 2044 | A | 52.8 | Low | 54.5 | Low | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | A2051 W2052 F2122 N2124 L2125 | A2044-A2051 VanDerWaalsContact O-CA 3.31Å; A2044-A2051 WeakPolarHBondContact O-CA 3.19Å; A2044-W2052 HydrophobicContact CB-CD2 4.22Å; A2044-W2052 HydrophobicContact CB-CH2 4.17Å; A2044-W2052 HydrophobicContact CB-CZ2 3.54Å; A2044-W2052 PolarHBondContact N-O 2.85Å; A2044-W2052 VanDerWaalsContact N-O 3.1Å; A2044-W2052 PolarHBondContact O-N 3.45Å; A2044-W2052 VanDerWaalsContact O-N 3.07Å; A2044-F2122 HydrophobicContact CB-CD1 3.85Å; A2044-F2122 HydrophobicContact CB-CE1 3.89Å; A2044-N2124 VanDerWaalsContact CA-O 3.31Å; A2044-N2124 WeakPolarHBondContact CA-O 3.31Å; A2044-L2125 HydrophobicContact CB-CD1 3.92Å |
| 2045 | E | 52.4 | Low | 55.8 | Low | 69 Ų | 69 | 49.4 Ų | 49.4 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.9 | 178 | -148.9 | 174.9 | -164 | 0 | 0 | 109.9 | Y2043 A2051 N2123 N2124 | Y2043-E2045 HydrophobicContact CE1-CB 4.05Å; Y2043-E2045 HydrophobicContact CE1-CG 4.46Å; E2045-A2051 HydrophobicContact CG-CB 4.47Å; E2045-N2123 PolarHBondContact O-N 2.92Å; E2045-N2124 HydrophobicContact CB-CB 3.92Å; E2045-N2124 PolarHBondContact N-O 3.25Å; E2045-N2124 PolarHBondContact O-N 3.12Å; E2045-N2124 PolarHBondContact OE2-ND2 3.45Å |
| 2046 | M | 52.2 | Low | 57 | Low | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 165.9 | 175.9 | -62 | -179.7 | 169.9 | 0 | 0 | 110.5 | A2050 L2117 F2122 | M2046-A2050 HydrophobicContact CB-CB 4.36Å; M2046-A2050 WeakPolarHBondContact CB-O 3.19Å; M2046-A2050 PolarHBondContact N-O 2.97Å; M2046-L2117 HydrophobicContact CE-CB 4.08Å; M2046-L2117 HydrophobicContact CE-CD1 3.76Å; M2046-L2117 HydrophobicContact CE-CG 4.43Å; M2046-L2117 HydrophobicContact SD-CB 4.07Å; M2046-L2117 HydrophobicContact SD-CD1 4.24Å; M2046-L2117 HydrophobicContact SD-CD2 4.33Å; M2046-L2117 HydrophobicContact SD-CG 4.44Å; M2046-F2122 HydrophobicContact CE-CD1 4.18Å; M2046-F2122 HydrophobicContact CE-CE1 3.56Å; M2046-F2122 HydrophobicContact CE-CZ 4.03Å; M2046-F2122 HydrophobicContact CG-CD1 4.41Å |
| 2047 | D | 51.1 | Low | 58.2 | Low | 83 Ų | 83 | 43.4 Ų | 43.4 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -52.5 | 149.9 | 166.6 | -88.1 | -19.4 | 0 | 0 | 0 | 112.2 | G2049 N2123 | D2047-G2049 PolarHBondContact O-N 3.45Å; D2047-N2123 PolarHBondContact N-ND2 3.06Å; D2047-N2123 PolarHBondContact OD1-ND2 3.06Å |
| 2048 | K | 55.7 | Low | 58.8 | Low | 205 Ų | 205 | 37.7 Ų | 37.7 | 89% | 0.891 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | 65 | 26.9 | 177 | -52.6 | -173.4 | 176.3 | -170.2 | 0 | 115.9 | A2050 | K2048-A2050 VanDerWaalsContact C-N 3.28Å; K2048-A2050 PolarHBondContact O-N 3.27Å |
| 2049 | G | 52.4 | Low | 59 | Low | 44 Ų | 44 | 40.8 Ų | 40.8 | 45% | 0.454 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | 74.9 | 16.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D2047 | D2047-G2049 PolarHBondContact O-N 3.45Š|
| 2050 | A | 55.5 | Low | 59.5 | Low | 13 Ų | 13 | 40.1 Ų | 40.1 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | trans | -80.8 | 126.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M2046 K2048 R2068 L2069 | M2046-A2050 HydrophobicContact CB-CB 4.36Å; M2046-A2050 WeakPolarHBondContact CB-O 3.19Å; M2046-A2050 PolarHBondContact N-O 2.97Å; K2048-A2050 VanDerWaalsContact C-N 3.28Å; K2048-A2050 PolarHBondContact O-N 3.27Å; A2050-R2068 WeakPolarHBondContact CA-O 3.39Å; A2050-L2069 HydrophobicContact CB-CD2 3.97Å | ||
| 2051 | A | 62.9 | Low | 59.7 | Low | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A2044 E2045 R2068 | A2044-A2051 VanDerWaalsContact O-CA 3.31Å; A2044-A2051 WeakPolarHBondContact O-CA 3.19Å; E2045-A2051 HydrophobicContact CG-CB 4.47Å; A2051-R2068 HydrophobicContact CB-CB 4.37Å; A2051-R2068 PolarHBondContact N-O 2.8Å; A2051-R2068 VanDerWaalsContact N-O 3.12Å; A2051-R2068 WeakPolarHBondContact O-CA 3.47Å; A2051-R2068 WeakPolarHBondContact O-CB 3.19Å; A2051-R2068 PolarHBondContact O-N 2.83Å |
| 2052 | W | 64.7 | Low | 59.9 | Low | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.038 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.6 | 176 | 56.1 | -95.5 | 0 | 0 | 0 | 111.6 | F2042 Y2043 A2044 F2054 F2065 R2066 L2067 I2102 F2104 F2122 | F2042-W2052 HydrophobicContact CB-CZ3 4.12Å; Y2043-W2052 WeakPolarHBondContact CA-O 3.24Å; A2044-W2052 HydrophobicContact CB-CD2 4.22Å; A2044-W2052 HydrophobicContact CB-CH2 4.17Å; A2044-W2052 HydrophobicContact CB-CZ2 3.54Å; A2044-W2052 PolarHBondContact N-O 2.85Å; A2044-W2052 VanDerWaalsContact N-O 3.1Å; A2044-W2052 PolarHBondContact O-N 3.45Å; A2044-W2052 VanDerWaalsContact O-N 3.07Å; W2052-F2054 HydrophobicContact CE3-CB 4.38Å; W2052-F2054 HydrophobicContact CZ3-CB 4.19Å; W2052-F2065 HydrophobicContact CB-CE2 3.91Å; W2052-F2065 HydrophobicContact CB-CZ 3.92Å; W2052-F2065 HydrophobicContact CD2-CE2 4.25Å; W2052-F2065 HydrophobicContact CE3-CE2 4.12Å; W2052-F2065 HydrophobicContact CG-CE2 4.2Å; W2052-F2065 HydrophobicContact CG-CZ 4.39Å; W2052-R2066 WeakPolarHBondContact CA-O 3.12Å; W2052-L2067 HydrophobicContact CB-CD1 3.92Å; W2052-I2102 HydrophobicContact CD2-CD1 4.31Å; W2052-I2102 HydrophobicContact CZ2-CD1 3.74Å; W2052-F2104 HydrophobicContact CE3-CZ 4.31Å; W2052-F2104 HydrophobicContact CH2-CE1 4.35Å; W2052-F2104 HydrophobicContact CH2-CZ 4.11Å; W2052-F2104 HydrophobicContact CZ3-CE1 4.29Å; W2052-F2104 AromaticContact CZ3-CZ 3.82Å; W2052-F2104 HydrophobicContact CZ3-CZ 3.82Å; W2052-F2122 HydrophobicContact CZ2-CE1 4.1Å; W2052-F2122 AromaticContact NE1-CE1 3.94Å |
| 2053 | T | 68.5 | Low | 60.1 | Low | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134 | 169.1 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | I2041 F2042 Y2043 R2066 W2073 | I2041-T2053 HydrophobicContact CG2-CG2 4.46Å; F2042-T2053 CarbonylContact O-C 3.58Å; F2042-T2053 VanDerWaalsContact O-CA 3.3Å; F2042-T2053 WeakPolarHBondContact O-CA 3.45Å; Y2043-T2053 HydrophobicContact CD2-CG2 3.39Å; Y2043-T2053 HydrophobicContact CE2-CG2 4.22Å; Y2043-T2053 HydrophobicContact CG-CG2 4.09Å; T2053-R2066 PolarHBondContact N-O 2.91Å; T2053-R2066 PolarHBondContact O-N 3.4Å; T2053-W2073 HydrophobicContact CG2-CH2 3.89Å; T2053-W2073 HydrophobicContact CG2-CZ3 4.48Å; T2053-W2073 WeakPolarHBondContact OG1-CZ3 3.06Å |
| 2054 | F | 64.1 | Low | 60.5 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 112.9 | 167.1 | -168.9 | -113.9 | 0 | 0 | 0 | 108.3 | F2042 W2052 I2056 A2063 I2064 F2065 F2093 F2104 V2106 I2111 | F2042-F2054 HydrophobicContact CB-CB 4.33Å; F2042-F2054 HydrophobicContact CD2-CD1 4.27Å; F2042-F2054 PolarHBondContact N-O 3.43Å; F2042-F2054 PolarHBondContact O-N 3.34Å; W2052-F2054 HydrophobicContact CE3-CB 4.38Å; W2052-F2054 HydrophobicContact CZ3-CB 4.19Å; F2054-I2056 HydrophobicContact CD1-CD1 4.29Å; F2054-I2056 HydrophobicContact CD1-CG1 3.95Å; F2054-I2056 HydrophobicContact CE1-CD1 3.83Å; F2054-I2056 HydrophobicContact CE1-CG1 3.55Å; F2054-I2056 HydrophobicContact CZ-CG1 4.38Å; F2054-A2063 HydrophobicContact CE2-CB 4.06Å; F2054-A2063 HydrophobicContact CZ-CB 3.67Å; F2054-I2064 WeakPolarHBondContact CA-O 3.32Å; F2054-F2065 HydrophobicContact CB-CD2 4.33Å; F2054-F2065 HydrophobicContact CD2-CB 3.88Å; F2054-F2065 AromaticContact CD2-CD2 3.92Å; F2054-F2065 HydrophobicContact CD2-CD2 3.92Å; F2054-F2065 HydrophobicContact CD2-CG 4.4Å; F2054-F2065 HydrophobicContact CE2-CB 4.26Å; F2054-F2093 AromaticContact CD1-CE2 3.96Å; F2054-F2093 HydrophobicContact CD1-CE2 3.96Å; F2054-F2093 HydrophobicContact CD1-CZ 4.2Å; F2054-F2093 AromaticContact CE1-CE2 3.71Å; F2054-F2093 HydrophobicContact CE1-CE2 3.71Å; F2054-F2093 HydrophobicContact CE1-CZ 4.4Å; F2054-F2104 HydrophobicContact CB-CZ 4.14Å; F2054-F2104 HydrophobicContact CD1-CD1 4.42Å; F2054-F2104 HydrophobicContact CD1-CE1 4.41Å; F2054-F2104 HydrophobicContact CD2-CD2 4.39Å; F2054-F2104 HydrophobicContact CD2-CE2 4.23Å; F2054-F2104 HydrophobicContact CE1-CG 4.47Å; F2054-F2104 HydrophobicContact CE2-CD2 4.4Å; F2054-F2104 HydrophobicContact CG-CE1 4.48Å; F2054-F2104 HydrophobicContact CG-CE2 4.27Å; F2054-F2104 HydrophobicContact CG-CZ 4.2Å; F2054-V2106 HydrophobicContact CE1-CG2 3.77Å; F2054-V2106 HydrophobicContact CZ-CG2 3.76Å; F2054-I2111 HydrophobicContact CZ-CD1 4.37Å |
| 2055 | Q | 69.9 | Low | 61 | Low | 30 Ų | 30 | 38.7 Ų | 38.7 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.9 | 177.8 | -54.2 | -167.4 | -83 | 0 | 0 | 109.1 | L2039 I2040 I2041 A2063 I2064 | L2039-Q2055 HydrophobicContact CD1-CB 4.21Å; I2040-Q2055 WeakPolarHBondContact O-CA 3.33Å; I2041-Q2055 HydrophobicContact CG1-CG 4.25Å; I2041-Q2055 HydrophobicContact CG2-CG 4.38Å; Q2055-A2063 CarbonylContact O-C 3.49Å; Q2055-A2063 WeakPolarHBondContact O-CA 3.21Å; Q2055-I2064 HydrophobicContact CB-CB 4.43Å; Q2055-I2064 PolarHBondContact N-O 3.06Å; Q2055-I2064 PolarHBondContact O-N 3.15Å |
| 2056 | I | 62.6 | Low | 61.5 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.1 | 169.8 | -51.2 | 174.1 | 0 | 0 | 0 | 107.6 | L2039 I2040 F2042 F2054 F2091 F2093 V2106 F2107 | L2039-I2056 WeakPolarHBondContact CA-O 3.49Å; I2040-I2056 PolarHBondContact N-O 3.01Å; I2040-I2056 PolarHBondContact O-N 3.41Å; F2042-I2056 HydrophobicContact CE2-CD1 3.96Å; F2054-I2056 HydrophobicContact CD1-CD1 4.29Å; F2054-I2056 HydrophobicContact CD1-CG1 3.95Å; F2054-I2056 HydrophobicContact CE1-CD1 3.83Å; F2054-I2056 HydrophobicContact CE1-CG1 3.55Å; F2054-I2056 HydrophobicContact CZ-CG1 4.38Å; I2056-F2091 HydrophobicContact CD1-CE2 4.16Å; I2056-F2091 HydrophobicContact CD1-CZ 3.99Å; I2056-F2091 HydrophobicContact CG2-CZ 3.97Å; I2056-F2093 HydrophobicContact CD1-CD2 3.71Å; I2056-F2093 HydrophobicContact CD1-CE2 4.02Å; I2056-F2093 HydrophobicContact CD1-CG 4.3Å; I2056-V2106 HydrophobicContact CD1-CG1 4.11Å; I2056-V2106 HydrophobicContact CG1-CG1 4.46Å; I2056-V2106 HydrophobicContact CG2-CG1 4.49Å; I2056-F2107 HydrophobicContact CG2-CE2 4.44Å; I2056-F2107 HydrophobicContact CG2-CZ 3.9Å |
| 2057 | D | 68.5 | Low | 61.8 | Low | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.9 | 169.7 | 178.6 | -8.6 | 0 | 0 | 0 | 108.9 | L2039 V2059 T2060 Q2061 T2062 | L2039-D2057 HydrophobicContact CD1-CB 4.05Å; D2057-V2059 VanDerWaalsContact C-N 3.3Å; D2057-V2059 PolarHBondContact O-N 3.28Å; D2057-V2059 WeakPolarHBondContact OD1-CA 3.43Å; D2057-V2059 WeakPolarHBondContact OD1-CB 3.48Å; D2057-V2059 PolarHBondContact OD1-N 3.42Å; D2057-T2060 VanDerWaalsContact CB-OG1 3.31Å; D2057-T2060 WeakPolarHBondContact CB-OG1 3.34Å; D2057-T2060 PolarHBondContact OD1-N 3.18Å; D2057-T2060 VanDerWaalsContact OD2-CG2 3.26Å; D2057-T2060 WeakPolarHBondContact OD2-CG2 3.39Å; D2057-T2060 PolarHBondContact OD2-OG1 3.22Å; D2057-Q2061 WeakPolarHBondContact O-CA 3.49Å; D2057-Q2061 PolarHBondContact O-N 2.9Å; D2057-Q2061 VanDerWaalsContact O-N 3.16Å; D2057-T2062 PolarHBondContact N-O 3.25Å; D2057-T2062 PolarHBondContact O-N 3.45Å |
| 2058 | T | 59.2 | Low | 61.9 | Low | 42 Ų | 42 | 39.6 Ų | 39.6 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.4 | -178.7 | 52 | 0 | 0 | 0 | 0 | 114 | Q2038 F2091 | Q2038-T2058 PolarHBondContact N-OG1 2.9Å; Q2038-T2058 PolarHBondContact O-N 2.85Å; Q2038-T2058 PolarHBondContact O-OG1 2.84Å; T2058-F2091 HydrophobicContact CG2-CD1 4.41Å; T2058-F2091 HydrophobicContact CG2-CE1 3.68Å; T2058-F2091 HydrophobicContact CG2-CZ 4.49Å |
| 2059 | V | 59.3 | Low | 61.8 | Low | 87 Ų | 87 | 33.3 Ų | 33.3 | 53% | 0.527 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -46.9 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | Q2037 D2057 Q2061 | Q2037-V2059 HydrophobicContact CB-CG2 3.79Å; Q2037-V2059 HydrophobicContact CG-CG2 3.89Å; D2057-V2059 VanDerWaalsContact C-N 3.3Å; D2057-V2059 PolarHBondContact O-N 3.28Å; D2057-V2059 WeakPolarHBondContact OD1-CA 3.43Å; D2057-V2059 WeakPolarHBondContact OD1-CB 3.48Å; D2057-V2059 PolarHBondContact OD1-N 3.42Å; V2059-Q2061 VanDerWaalsContact C-N 3.31Å |
| 2060 | T | 67.4 | Low | 61.9 | Low | 77 Ų | 77 | 38.7 Ų | 38.7 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.6 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | D2057 T2062 | D2057-T2060 VanDerWaalsContact CB-OG1 3.31Å; D2057-T2060 WeakPolarHBondContact CB-OG1 3.34Å; D2057-T2060 PolarHBondContact OD1-N 3.18Å; D2057-T2060 VanDerWaalsContact OD2-CG2 3.26Å; D2057-T2060 WeakPolarHBondContact OD2-CG2 3.39Å; D2057-T2060 PolarHBondContact OD2-OG1 3.22Å; T2060-T2062 PolarHBondContact O-N 2.95Å; T2060-T2062 PolarHBondContact OG1-N 3.19Å; T2060-T2062 PolarHBondContact OG1-OG1 3.08Å |
| 2061 | Q | 61.2 | Low | 61.7 | Low | 29 Ų | 29 | 40 Ų | 40 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 31.2 | -166.1 | -57.7 | -171.2 | 29.2 | 0 | 0 | 113.1 | D2057 V2059 F2107 | D2057-Q2061 WeakPolarHBondContact O-CA 3.49Å; D2057-Q2061 PolarHBondContact O-N 2.9Å; D2057-Q2061 VanDerWaalsContact O-N 3.16Å; V2059-Q2061 VanDerWaalsContact C-N 3.31Å; Q2061-F2107 HydrophobicContact CB-CE2 4.49Å; Q2061-F2107 HydrophobicContact CB-CZ 4.34Å; Q2061-F2107 WeakPolarHBondContact O-CE2 3.44Å |
| 2062 | T | 62.7 | Low | 61.2 | Low | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 147 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | D2057 T2060 F2079 E2080 | D2057-T2062 PolarHBondContact N-O 3.25Å; D2057-T2062 PolarHBondContact O-N 3.45Å; T2060-T2062 PolarHBondContact O-N 2.95Å; T2060-T2062 PolarHBondContact OG1-N 3.19Å; T2060-T2062 PolarHBondContact OG1-OG1 3.08Å; T2062-F2079 WeakPolarHBondContact CA-O 3.4Å; T2062-F2079 WeakPolarHBondContact CB-O 3.47Å; T2062-E2080 HydrophobicContact CG2-CB 4.25Å; T2062-E2080 HydrophobicContact CG2-CG 3.84Å |
| 2063 | A | 62 | Low | 60.7 | Low | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F2054 Q2055 F2079 V2106 | F2054-A2063 HydrophobicContact CE2-CB 4.06Å; F2054-A2063 HydrophobicContact CZ-CB 3.67Å; Q2055-A2063 CarbonylContact O-C 3.49Å; Q2055-A2063 WeakPolarHBondContact O-CA 3.21Å; A2063-F2079 HydrophobicContact CB-CB 4.44Å; A2063-F2079 PolarHBondContact N-O 2.99Å; A2063-F2079 PolarHBondContact O-N 2.77Å; A2063-V2106 HydrophobicContact CB-CG1 4.49Å |
| 2064 | I | 66.4 | Low | 59.9 | Low | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.3 | -175.6 | -53.7 | 177.8 | 0 | 0 | 0 | 108.5 | F2054 Q2055 R2066 T2075 K2078 | F2054-I2064 WeakPolarHBondContact CA-O 3.32Å; Q2055-I2064 HydrophobicContact CB-CB 4.43Å; Q2055-I2064 PolarHBondContact N-O 3.06Å; Q2055-I2064 PolarHBondContact O-N 3.15Å; I2064-R2066 HydrophobicContact CG2-CG 3.99Å; I2064-T2075 HydrophobicContact CG2-CG2 4.25Å; I2064-K2078 HydrophobicContact CG1-CG 4.29Å |
| 2065 | F | 62.6 | Low | 59.4 | Low | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.2 | 168.9 | -174.3 | -103.9 | 0 | 0 | 0 | 109.6 | W2052 F2054 L2067 A2076 M2077 F2104 P2113 | W2052-F2065 HydrophobicContact CB-CE2 3.91Å; W2052-F2065 HydrophobicContact CB-CZ 3.92Å; W2052-F2065 HydrophobicContact CD2-CE2 4.25Å; W2052-F2065 HydrophobicContact CE3-CE2 4.12Å; W2052-F2065 HydrophobicContact CG-CE2 4.2Å; W2052-F2065 HydrophobicContact CG-CZ 4.39Å; F2054-F2065 HydrophobicContact CB-CD2 4.33Å; F2054-F2065 HydrophobicContact CD2-CB 3.88Å; F2054-F2065 AromaticContact CD2-CD2 3.92Å; F2054-F2065 HydrophobicContact CD2-CD2 3.92Å; F2054-F2065 HydrophobicContact CD2-CG 4.4Å; F2054-F2065 HydrophobicContact CE2-CB 4.26Å; F2065-L2067 HydrophobicContact CE1-CB 4.04Å; F2065-L2067 HydrophobicContact CZ-CB 4.49Å; F2065-A2076 HydrophobicContact CD1-CB 4.26Å; F2065-A2076 PolarHBondContact O-N 3.1Å; F2065-M2077 PolarHBondContact N-O 2.93Å; F2065-M2077 PolarHBondContact O-N 3.09Å; F2065-F2104 AromaticContact CD2-CE2 3.92Å; F2065-F2104 HydrophobicContact CD2-CE2 3.92Å; F2065-F2104 AromaticContact CE2-CE2 3.95Å; F2065-F2104 HydrophobicContact CE2-CE2 3.95Å; F2065-F2104 HydrophobicContact CE2-CZ 4.38Å; F2065-P2113 HydrophobicContact CD1-CB 4.08Å; F2065-P2113 HydrophobicContact CD1-CG 4.01Å; F2065-P2113 HydrophobicContact CD2-CG 4.41Å; F2065-P2113 HydrophobicContact CE1-CB 3.75Å; F2065-P2113 HydrophobicContact CE1-CG 3.85Å; F2065-P2113 HydrophobicContact CE2-CG 4.26Å; F2065-P2113 HydrophobicContact CG-CG 4.29Å; F2065-P2113 HydrophobicContact CZ-CB 4.24Å; F2065-P2113 HydrophobicContact CZ-CG 3.98Å |
| 2066 | R | 62.1 | Low | 58.7 | Low | 81 Ų | 81 | 59 Ų | 59 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.3 | 168.8 | -51.9 | -169.5 | 179.5 | 108.8 | 3.9 | 109.5 | W2052 T2053 I2064 W2073 T2075 | W2052-R2066 WeakPolarHBondContact CA-O 3.12Å; T2053-R2066 PolarHBondContact N-O 2.91Å; T2053-R2066 PolarHBondContact O-N 3.4Å; I2064-R2066 HydrophobicContact CG2-CG 3.99Å; R2066-W2073 HydrophobicContact CB-CE3 3.72Å; R2066-W2073 HydrophobicContact CB-CZ3 3.91Å; R2066-T2075 WeakPolarHBondContact CD-OG1 3.3Å; R2066-T2075 HydrophobicContact CG-CG2 4.18Å; R2066-T2075 PolarHBondContact NE-OG1 2.94Å |
| 2067 | L | 58.7 | Low | 58.3 | Low | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.8 | 174 | 178.9 | 66.3 | 0 | 0 | 0 | 109.2 | W2052 F2065 L2069 Q2074 V2115 L2117 | W2052-L2067 HydrophobicContact CB-CD1 3.92Å; F2065-L2067 HydrophobicContact CE1-CB 4.04Å; F2065-L2067 HydrophobicContact CZ-CB 4.49Å; L2067-L2069 HydrophobicContact CD2-CD1 3.78Å; L2067-L2069 HydrophobicContact CD2-CD2 4.28Å; L2067-L2069 HydrophobicContact CD2-CG 3.79Å; L2067-L2069 HydrophobicContact CG-CD1 4.49Å; L2067-L2069 HydrophobicContact CG-CD2 4.45Å; L2067-L2069 HydrophobicContact CG-CG 3.98Å; L2067-Q2074 PolarHBondContact N-O 2.73Å; L2067-Q2074 PolarHBondContact O-N 3.14Å; L2067-Q2074 VanDerWaalsContact O-O 3.14Å; L2067-V2115 HydrophobicContact CD2-CB 4.2Å; L2067-V2115 HydrophobicContact CD2-CG1 3.71Å; L2067-V2115 HydrophobicContact CD2-CG2 3.96Å; L2067-L2117 HydrophobicContact CD1-CD2 4.15Å |
| 2068 | R | 54.1 | Low | 57.8 | Low | 96 Ų | 96 | 66.3 Ų | 66.3 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.6 | 169.1 | -156.8 | -178.9 | -172.7 | -166.4 | -2.4 | 108.4 | A2050 A2051 G2071 A2072 W2073 | A2050-R2068 WeakPolarHBondContact CA-O 3.39Å; A2051-R2068 HydrophobicContact CB-CB 4.37Å; A2051-R2068 PolarHBondContact N-O 2.8Å; A2051-R2068 VanDerWaalsContact N-O 3.12Å; A2051-R2068 WeakPolarHBondContact O-CA 3.47Å; A2051-R2068 WeakPolarHBondContact O-CB 3.19Å; A2051-R2068 PolarHBondContact O-N 2.83Å; R2068-G2071 VanDerWaalsContact CZ-O 3.29Å; R2068-G2071 PolarHBondContact NE-O 3.07Å; R2068-G2071 PolarHBondContact NH2-O 2.81Å; R2068-A2072 VanDerWaalsContact CA-O 3.28Å; R2068-A2072 WeakPolarHBondContact CA-O 3.1Å; R2068-A2072 WeakPolarHBondContact CG-O 3.43Å; R2068-W2073 HydrophobicContact CB-CD2 3.88Å; R2068-W2073 HydrophobicContact CB-CE3 3.72Å; R2068-W2073 HydrophobicContact CB-CH2 4.14Å; R2068-W2073 HydrophobicContact CB-CZ2 4.3Å; R2068-W2073 HydrophobicContact CB-CZ3 3.85Å; R2068-W2073 HydrophobicContact CG-CD2 4.01Å; R2068-W2073 HydrophobicContact CG-CE3 4.36Å; R2068-W2073 HydrophobicContact CG-CG 4.24Å |
| 2069 | L | 52.2 | Low | 57.7 | Low | 73 Ų | 73 | 67.5 Ų | 67.5 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137 | 170.5 | -69.8 | 176.4 | 0 | 0 | 0 | 108.2 | A2050 L2067 G2071 A2072 | A2050-L2069 HydrophobicContact CB-CD2 3.97Å; L2067-L2069 HydrophobicContact CD2-CD1 3.78Å; L2067-L2069 HydrophobicContact CD2-CD2 4.28Å; L2067-L2069 HydrophobicContact CD2-CG 3.79Å; L2067-L2069 HydrophobicContact CG-CD1 4.49Å; L2067-L2069 HydrophobicContact CG-CD2 4.45Å; L2067-L2069 HydrophobicContact CG-CG 3.98Å; L2069-G2071 PolarHBondContact O-N 3.21Å; L2069-A2072 PolarHBondContact N-O 2.93Å; L2069-A2072 VanDerWaalsContact N-O 3.12Å; L2069-A2072 PolarHBondContact O-N 3.34Å |
| 2070 | N | 54.9 | Low | 57.3 | Low | 157 Ų | 157 | 69.2 Ų | 69.2 | 84% | 0.84 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 40.8 | 177 | -58.8 | -9.6 | 0 | 0 | 0 | 113.5 | A2072 | N2070-A2072 VanDerWaalsContact C-N 3.34Å; N2070-A2072 PolarHBondContact O-N 3.19Å |
| 2071 | G | 51.5 | Low | 56.4 | Low | 40 Ų | 40 | 66.9 Ų | 66.9 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -21.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | R2068 L2069 | R2068-G2071 VanDerWaalsContact CZ-O 3.29Å; R2068-G2071 PolarHBondContact NE-O 3.07Å; R2068-G2071 PolarHBondContact NH2-O 2.81Å; L2069-G2071 PolarHBondContact O-N 3.21Å |
| 2072 | A | 53.7 | Low | 55.3 | Low | 61 Ų | 61 | 70.9 Ų | 70.9 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R2068 L2069 N2070 | R2068-A2072 VanDerWaalsContact CA-O 3.28Å; R2068-A2072 WeakPolarHBondContact CA-O 3.1Å; R2068-A2072 WeakPolarHBondContact CG-O 3.43Å; L2069-A2072 PolarHBondContact N-O 2.93Å; L2069-A2072 VanDerWaalsContact N-O 3.12Å; L2069-A2072 PolarHBondContact O-N 3.34Å; N2070-A2072 VanDerWaalsContact C-N 3.34Å; N2070-A2072 PolarHBondContact O-N 3.19Å |
| 2073 | W | 52.9 | Low | 54 | Low | 114 Ų | 114 | 75.2 Ų | 75.2 | 43% | 0.432 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.5 | 171.9 | -77.3 | 107.8 | 0 | 0 | 0 | 110.7 | T2053 R2066 R2068 | T2053-W2073 HydrophobicContact CG2-CH2 3.89Å; T2053-W2073 HydrophobicContact CG2-CZ3 4.48Å; T2053-W2073 WeakPolarHBondContact OG1-CZ3 3.06Å; R2066-W2073 HydrophobicContact CB-CE3 3.72Å; R2066-W2073 HydrophobicContact CB-CZ3 3.91Å; R2068-W2073 HydrophobicContact CB-CD2 3.88Å; R2068-W2073 HydrophobicContact CB-CE3 3.72Å; R2068-W2073 HydrophobicContact CB-CH2 4.14Å; R2068-W2073 HydrophobicContact CB-CZ2 4.3Å; R2068-W2073 HydrophobicContact CB-CZ3 3.85Å; R2068-W2073 HydrophobicContact CG-CD2 4.01Å; R2068-W2073 HydrophobicContact CG-CE3 4.36Å; R2068-W2073 HydrophobicContact CG-CG 4.24Å |
| 2074 | Q | 52.9 | Low | 52.8 | Low | 140 Ų | 140 | 79.6 Ų | 79.6 | 65% | 0.654 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.1 | 164 | -67.1 | -171.4 | -11.2 | 0 | 0 | 109.1 | L2067 A2076 | L2067-Q2074 PolarHBondContact N-O 2.73Å; L2067-Q2074 PolarHBondContact O-N 3.14Å; L2067-Q2074 VanDerWaalsContact O-O 3.14Å; Q2074-A2076 PolarHBondContact O-N 3.1Å; Q2074-A2076 VanDerWaalsContact O-N 3.16Å |
| 2075 | T | 52.2 | Low | 51.4 | Low | 85 Ų | 85 | 83.1 Ų | 83.1 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 94.7 | 169.6 | -61.8 | 0 | 0 | 0 | 0 | 107.2 | I2064 R2066 | I2064-T2075 HydrophobicContact CG2-CG2 4.25Å; R2066-T2075 WeakPolarHBondContact CD-OG1 3.3Å; R2066-T2075 HydrophobicContact CG-CG2 4.18Å; R2066-T2075 PolarHBondContact NE-OG1 2.94Å |
| 2076 | A | 55.7 | Low | 50.2 | Low | 57 Ų | 57 | 89.2 Ų | 89.2 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -43.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2065 Q2074 | F2065-A2076 HydrophobicContact CD1-CB 4.26Å; F2065-A2076 PolarHBondContact O-N 3.1Å; Q2074-A2076 PolarHBondContact O-N 3.1Å; Q2074-A2076 VanDerWaalsContact O-N 3.16Å |
| 2077 | M | 55 | Low | 49 | Very low | 72 Ų | 72 | 95.8 Ų | 95.8 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 132.7 | -176.8 | -64.7 | -179.1 | 174.4 | 0 | 0 | 112.5 | F2065 F2079 | F2065-M2077 PolarHBondContact N-O 2.93Å; F2065-M2077 PolarHBondContact O-N 3.09Å; M2077-F2079 HydrophobicContact CB-CD2 4.27Å; M2077-F2079 HydrophobicContact CB-CE2 3.5Å; M2077-F2079 HydrophobicContact CB-CZ 3.73Å; M2077-F2079 HydrophobicContact CG-CE2 4.4Å; M2077-F2079 HydrophobicContact CG-CZ 4.17Å; M2077-F2079 HydrophobicContact SD-CE1 4.38Å; M2077-F2079 HydrophobicContact SD-CE2 4.17Å; M2077-F2079 HydrophobicContact SD-CZ 3.52Å; M2077-F2079 VanDerWaalsContact SD-CZ 3.52Å |
| 2078 | K | 58.1 | Low | 47.9 | Very low | 123 Ų | 123 | 98.6 Ų | 98.6 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.4 | 162.9 | -176.6 | -171.9 | -167.5 | -162.6 | 0 | 107.5 | I2064 E2080 | I2064-K2078 HydrophobicContact CG1-CG 4.29Å; K2078-E2080 HydrophobicContact CD-CG 4.43Å; K2078-E2080 WeakPolarHBondContact CE-OE1 3.44Å; K2078-E2080 HydrophobicContact CG-CG 4.44Å; K2078-E2080 IonicContact NZ-OE1 3.82Å; K2078-E2080 PolarHBondContact NZ-OE1 2.9Å |
| 2079 | F | 55.8 | Low | 47.2 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.2 | 175.5 | -61.6 | -84.7 | 0 | 0 | 0 | 109.6 | T2062 A2063 M2077 I2111 | T2062-F2079 WeakPolarHBondContact CA-O 3.4Å; T2062-F2079 WeakPolarHBondContact CB-O 3.47Å; A2063-F2079 HydrophobicContact CB-CB 4.44Å; A2063-F2079 PolarHBondContact N-O 2.99Å; A2063-F2079 PolarHBondContact O-N 2.77Å; M2077-F2079 HydrophobicContact CB-CD2 4.27Å; M2077-F2079 HydrophobicContact CB-CE2 3.5Å; M2077-F2079 HydrophobicContact CB-CZ 3.73Å; M2077-F2079 HydrophobicContact CG-CE2 4.4Å; M2077-F2079 HydrophobicContact CG-CZ 4.17Å; M2077-F2079 HydrophobicContact SD-CE1 4.38Å; M2077-F2079 HydrophobicContact SD-CE2 4.17Å; M2077-F2079 HydrophobicContact SD-CZ 3.52Å; M2077-F2079 VanDerWaalsContact SD-CZ 3.52Å; F2079-I2111 HydrophobicContact CD1-CD1 4.43Å; F2079-I2111 HydrophobicContact CD1-CG1 4.49Å; F2079-I2111 HydrophobicContact CD2-CD1 3.73Å; F2079-I2111 HydrophobicContact CD2-CG1 4.36Å; F2079-I2111 HydrophobicContact CD2-CG2 4.49Å; F2079-I2111 HydrophobicContact CE1-CG1 4.2Å; F2079-I2111 HydrophobicContact CE2-CB 4.45Å; F2079-I2111 HydrophobicContact CE2-CD1 3.85Å; F2079-I2111 HydrophobicContact CE2-CG1 4.06Å; F2079-I2111 HydrophobicContact CE2-CG2 3.55Å; F2079-I2111 HydrophobicContact CG-CD1 4.03Å; F2079-I2111 HydrophobicContact CZ-CB 4.36Å; F2079-I2111 HydrophobicContact CZ-CD1 4.24Å; F2079-I2111 HydrophobicContact CZ-CG1 3.97Å; F2079-I2111 HydrophobicContact CZ-CG2 3.57Å |
| 2080 | E | 51.4 | Low | 46.7 | Very low | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 57% | 0.57 | S | S | * | * | trans | -120 | 144.1 | 171.9 | -46.1 | -165.5 | 153.7 | 0 | 0 | 108.4 | T2062 K2078 | T2062-E2080 HydrophobicContact CG2-CB 4.25Å; T2062-E2080 HydrophobicContact CG2-CG 3.84Å; K2078-E2080 HydrophobicContact CD-CG 4.43Å; K2078-E2080 WeakPolarHBondContact CE-OE1 3.44Å; K2078-E2080 HydrophobicContact CG-CG 4.44Å; K2078-E2080 IonicContact NZ-OE1 3.82Å; K2078-E2080 PolarHBondContact NZ-OE1 2.9Å | ||
| 2081 | N | 48.4 | Very low | 46 | Very low | 29 Ų | 29 | 99.2 Ų | 99.2 | 16% | 0.155 | 54% | 0.536 | C | S | . | . | trans | -127.2 | 110 | -177.9 | -127.6 | 16.4 | 0 | 0 | 0 | 108.8 | L2083 K2109 | N2081-L2083 PolarHBondContact O-N 2.86Å; N2081-K2109 WeakPolarHBondContact OD1-CE 3.47Å; N2081-K2109 PolarHBondContact OD1-NZ 3.07Å | ||
| 2082 | A | 39.2 | Very low | 45.6 | Very low | 112 Ų | 112 | 100.4 Ų | 100.4 | 93% | 0.926 | 54% | 0.536 | S | S | * | . | trans | -77.8 | 50.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 2083 | L | 34.3 | Very low | 45 | Very low | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | trans | -96.4 | 133.6 | 176.8 | -79.9 | 169.7 | 0 | 0 | 0 | 110.9 | N2081 | N2081-L2083 PolarHBondContact O-N 2.86Š| ||
| 2084 | P | 36.4 | Very low | 44.5 | Very low | 93 Ų | 93 | 94.5 Ų | 94.5 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | trans | -56.5 | 137.5 | 179.7 | -27.4 | 35.5 | 0 | 0 | 0 | 112.9 | N2086 | P2084-N2086 PolarHBondContact O-N 3.19Š| ||
| 2085 | P | 36.5 | Very low | 44.2 | Very low | 107 Ų | 107 | 88.5 Ų | 88.5 | 70% | 0.695 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -1.2 | -161.7 | 24.9 | -35.5 | 0 | 0 | 0 | 116.8 | ||
| 2086 | N | 39.3 | Very low | 43.9 | Very low | 132 Ų | 132 | 85.7 Ų | 85.7 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.8 | -167.8 | -71.8 | -12.3 | 0 | 0 | 0 | 115.9 | P2084 | P2084-N2086 PolarHBondContact O-N 3.19Š|
| 2087 | Y | 35.2 | Very low | 43.3 | Very low | 218 Ų | 218 | 83.9 Ų | 83.9 | 86% | 0.855 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -113.1 | 2.6 | -164.6 | -82.7 | -73.9 | 0 | 0 | 0 | 117.8 | ||
| 2088 | A | 35.2 | Very low | 42.8 | Very low | 67 Ų | 67 | 84.5 Ų | 84.5 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | trans | -108.4 | 79.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2089 | R | 40.8 | Very low | 42.2 | Very low | 197 Ų | 197 | 83.9 Ų | 83.9 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -91.5 | -17.1 | -178.5 | -75.4 | -170.2 | 178.7 | -174.4 | 0.5 | 116.4 | P2035 | P2035-R2089 WeakPolarHBondContact CB-O 3.49Å; P2035-R2089 VanDerWaalsContact CD-O 3.23Å; P2035-R2089 WeakPolarHBondContact CD-O 3.43Å; P2035-R2089 VanDerWaalsContact CG-O 3.24Å; P2035-R2089 WeakPolarHBondContact CG-O 3.39Å |
| 2090 | N | 41.7 | Very low | 41.6 | Very low | 111 Ų | 111 | 81.1 Ų | 81.1 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -146.4 | 142.5 | 162.5 | -64.3 | -74.3 | 0 | 0 | 0 | 105.9 | ||
| 2091 | F | 40.3 | Very low | 41.5 | Very low | 31 Ų | 31 | 78.3 Ų | 78.3 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.8 | 169.3 | 96.1 | -87.8 | 0 | 0 | 0 | 110.9 | L2033 I2056 T2058 F2093 | L2033-F2091 HydrophobicContact CB-CD1 4.04Å; L2033-F2091 HydrophobicContact CB-CE1 3.92Å; L2033-F2091 HydrophobicContact CD1-CD1 4.2Å; L2033-F2091 HydrophobicContact CD1-CE1 3.39Å; L2033-F2091 HydrophobicContact CD1-CE2 4.11Å; L2033-F2091 HydrophobicContact CD1-CZ 3.34Å; L2033-F2091 HydrophobicContact CG-CE1 4.29Å; L2033-F2091 PolarHBondContact N-O 3.14Å; L2033-F2091 PolarHBondContact O-N 2.67Å; I2056-F2091 HydrophobicContact CD1-CE2 4.16Å; I2056-F2091 HydrophobicContact CD1-CZ 3.99Å; I2056-F2091 HydrophobicContact CG2-CZ 3.97Å; T2058-F2091 HydrophobicContact CG2-CD1 4.41Å; T2058-F2091 HydrophobicContact CG2-CE1 3.68Å; T2058-F2091 HydrophobicContact CG2-CZ 4.49Å; F2091-F2093 HydrophobicContact CE2-CB 3.99Å |
| 2092 | T | 42.9 | Very low | 41.6 | Very low | 66 Ų | 66 | 77.3 Ų | 77.3 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.2 | 175.3 | -62.5 | 0 | 0 | 0 | 0 | 108.1 | I2030 V2031 T2032 I2094 | I2030-T2092 HydrophobicContact CG2-CG2 3.65Å; V2031-T2092 WeakPolarHBondContact O-CA 3.45Å; T2032-T2092 PolarHBondContact OG1-OG1 2.78Å; T2092-I2094 HydrophobicContact CG2-CG1 4.22Å |
| 2093 | F | 40.2 | Very low | 42.4 | Very low | 1 Ų | 1 | 73.9 Ų | 73.9 | 0% | 0.004 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.6 | 168.9 | 173.3 | -107.5 | 0 | 0 | 0 | 109.2 | V2031 F2042 F2054 I2056 F2091 A2095 F2104 V2106 | V2031-F2093 HydrophobicContact CB-CB 4.4Å; V2031-F2093 HydrophobicContact CB-CD1 4.44Å; V2031-F2093 HydrophobicContact CG2-CD1 4.22Å; V2031-F2093 PolarHBondContact N-O 2.78Å; V2031-F2093 PolarHBondContact O-N 3.49Å; F2042-F2093 HydrophobicContact CD1-CE1 4.03Å; F2042-F2093 HydrophobicContact CD2-CE1 4.34Å; F2042-F2093 HydrophobicContact CD2-CZ 4.25Å; F2042-F2093 AromaticContact CE1-CD1 3.87Å; F2042-F2093 HydrophobicContact CE1-CD1 3.87Å; F2042-F2093 AromaticContact CE1-CE1 3.45Å; F2042-F2093 HydrophobicContact CE1-CE1 3.45Å; F2042-F2093 VanDerWaalsContact CE1-CE1 3.45Å; F2042-F2093 HydrophobicContact CE1-CZ 4.25Å; F2042-F2093 HydrophobicContact CE2-CD1 4.1Å; F2042-F2093 AromaticContact CE2-CE1 3.81Å; F2042-F2093 HydrophobicContact CE2-CE1 3.81Å; F2042-F2093 HydrophobicContact CE2-CE2 4.44Å; F2042-F2093 AromaticContact CE2-CZ 3.97Å; F2042-F2093 HydrophobicContact CE2-CZ 3.97Å; F2042-F2093 HydrophobicContact CG-CE1 4.45Å; F2042-F2093 AromaticContact CZ-CD1 3.45Å; F2042-F2093 HydrophobicContact CZ-CD1 3.45Å; F2042-F2093 VanDerWaalsContact CZ-CD1 3.45Å; F2042-F2093 AromaticContact CZ-CE1 3.33Å; F2042-F2093 HydrophobicContact CZ-CE1 3.33Å; F2042-F2093 HydrophobicContact CZ-CG 4.17Å; F2042-F2093 AromaticContact CZ-CZ 3.99Å; F2042-F2093 HydrophobicContact CZ-CZ 3.99Å; F2054-F2093 AromaticContact CD1-CE2 3.96Å; F2054-F2093 HydrophobicContact CD1-CE2 3.96Å; F2054-F2093 HydrophobicContact CD1-CZ 4.2Å; F2054-F2093 AromaticContact CE1-CE2 3.71Å; F2054-F2093 HydrophobicContact CE1-CE2 3.71Å; F2054-F2093 HydrophobicContact CE1-CZ 4.4Å; I2056-F2093 HydrophobicContact CD1-CD2 3.71Å; I2056-F2093 HydrophobicContact CD1-CE2 4.02Å; I2056-F2093 HydrophobicContact CD1-CG 4.3Å; F2091-F2093 HydrophobicContact CE2-CB 3.99Å; F2093-A2095 HydrophobicContact CE1-CB 3.69Å; F2093-A2095 HydrophobicContact CZ-CB 3.8Å; F2093-F2104 HydrophobicContact CE2-CB 4.31Å; F2093-F2104 AromaticContact CE2-CD1 3.78Å; F2093-F2104 HydrophobicContact CE2-CD1 3.78Å; F2093-F2104 HydrophobicContact CE2-CG 4.4Å; F2093-F2104 AromaticContact CZ-CD1 3.52Å; F2093-F2104 HydrophobicContact CZ-CD1 3.52Å; F2093-F2104 AromaticContact CZ-CE1 3.93Å; F2093-F2104 HydrophobicContact CZ-CE1 3.93Å; F2093-V2106 HydrophobicContact CD2-CG2 3.91Å; F2093-V2106 HydrophobicContact CE2-CG2 3.91Å |
| 2094 | I | 44 | Very low | 43.4 | Very low | 50 Ų | 50 | 68.9 Ų | 68.9 | 26% | 0.256 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.7 | 171.5 | -54.5 | 177.2 | 0 | 0 | 0 | 107.9 | Y2028 A2029 T2092 V2096 F2104 T2105 | Y2028-I2094 HydrophobicContact CE1-CG2 4.24Å; A2029-I2094 WeakPolarHBondContact O-CA 3.11Å; T2092-I2094 HydrophobicContact CG2-CG1 4.22Å; I2094-V2096 HydrophobicContact CG2-CG2 4.17Å; I2094-F2104 CarbonylContact O-C 2.93Å; I2094-T2105 PolarHBondContact N-O 2.8Å; I2094-T2105 PolarHBondContact O-N 2.97Å |
| 2095 | A | 44.6 | Very low | 44.3 | Very low | 13 Ų | 13 | 65.9 Ų | 65.9 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A2029 F2093 F2104 | A2029-A2095 PolarHBondContact N-O 3.16Å; A2029-A2095 PolarHBondContact O-N 2.82Å; F2093-A2095 HydrophobicContact CE1-CB 3.69Å; F2093-A2095 HydrophobicContact CZ-CB 3.8Å; A2095-F2104 HydrophobicContact CB-CD1 3.89Å; A2095-F2104 HydrophobicContact CB-CE1 4.11Å |
| 2096 | V | 47.7 | Very low | 45 | Very low | 26 Ų | 26 | 60.9 Ų | 60.9 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121 | 169.7 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | Y2028 I2094 E2103 | Y2028-V2096 HydrophobicContact CD2-CG1 4.46Å; Y2028-V2096 HydrophobicContact CD2-CG2 4.23Å; Y2028-V2096 HydrophobicContact CE1-CG2 4.48Å; Y2028-V2096 HydrophobicContact CE2-CG1 4.21Å; Y2028-V2096 HydrophobicContact CE2-CG2 3.68Å; I2094-V2096 HydrophobicContact CG2-CG2 4.17Å; V2096-E2103 PolarHBondContact N-O 3.22Å; V2096-E2103 PolarHBondContact O-N 3.44Å |
| 2097 | V | 43.2 | Very low | 45.5 | Very low | 19 Ų | 19 | 57.1 Ų | 57.1 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.1 | 167.1 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | M2026 L2027 I2102 F2122 | M2026-V2097 WeakPolarHBondContact CA-O 3.44Å; L2027-V2097 HydrophobicContact CB-CB 4.28Å; L2027-V2097 HydrophobicContact CB-CG2 4.5Å; L2027-V2097 PolarHBondContact N-O 3.04Å; L2027-V2097 PolarHBondContact O-N 3.28Å; V2097-I2102 HydrophobicContact CG1-CG1 4.31Å; V2097-I2102 HydrophobicContact CG2-CG1 4.23Å; V2097-I2102 HydrophobicContact CG2-CG2 4.27Å; V2097-F2122 HydrophobicContact CB-CE2 4.42Å; V2097-F2122 HydrophobicContact CB-CZ 4.45Å; V2097-F2122 HydrophobicContact CG1-CE2 3.89Å; V2097-F2122 HydrophobicContact CG1-CZ 3.87Å; V2097-F2122 HydrophobicContact CG2-CE2 4.36Å; V2097-F2122 HydrophobicContact CG2-CZ 4.04Å |
| 2098 | E | 43.9 | Very low | 46.1 | Very low | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 121.5 | 178.1 | -175.8 | 178.1 | -170.8 | 0 | 0 | 109.9 | M2026 G2100 T2101 | M2026-E2098 HydrophobicContact CE-CB 4.45Å; M2026-E2098 HydrophobicContact CE-CG 4.02Å; M2026-E2098 WeakPolarHBondContact CE-OE1 3.49Å; M2026-E2098 WeakPolarHBondContact CE-OE2 3.47Å; M2026-E2098 HydrophobicContact CG-CB 4.48Å; M2026-E2098 HydrophobicContact CG-CG 4.41Å; E2098-G2100 PolarHBondContact O-N 3.31Å; E2098-G2100 VanDerWaalsContact O-N 3.1Å; E2098-T2101 PolarHBondContact N-O 3.01Å; E2098-T2101 WeakPolarHBondContact O-CB 3.37Å; E2098-T2101 PolarHBondContact O-N 2.9Å; E2098-T2101 PolarHBondContact O-OG1 3.37Å |
| 2099 | N | 45.7 | Very low | 46.7 | Very low | 109 Ų | 109 | 52.5 Ų | 52.5 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 33.6 | 175.1 | -61.2 | -43.1 | 0 | 0 | 0 | 115.8 | T2101 | N2099-T2101 VanDerWaalsContact C-N 3.31Š|
| 2100 | G | 43.2 | Very low | 47.3 | Very low | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -9.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2098 L2117 | E2098-G2100 PolarHBondContact O-N 3.31Å; E2098-G2100 VanDerWaalsContact O-N 3.1Å; G2100-L2117 VanDerWaalsContact CA-O 3.27Å; G2100-L2117 WeakPolarHBondContact CA-O 3.37Å |
| 2101 | T | 49.3 | Very low | 47.8 | Very low | 63 Ų | 63 | 44.2 Ų | 44.2 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.6 | 165.1 | -2.7 | 0 | 0 | 0 | 0 | 110.1 | E2098 N2099 | E2098-T2101 PolarHBondContact N-O 3.01Å; E2098-T2101 WeakPolarHBondContact O-CB 3.37Å; E2098-T2101 PolarHBondContact O-N 2.9Å; E2098-T2101 PolarHBondContact O-OG1 3.37Å; N2099-T2101 VanDerWaalsContact C-N 3.31Å |
| 2102 | I | 48.9 | Very low | 48.6 | Very low | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.5 | 172.1 | -50.7 | -178.7 | 0 | 0 | 0 | 108.5 | W2052 V2097 F2104 P2113 L2117 | W2052-I2102 HydrophobicContact CD2-CD1 4.31Å; W2052-I2102 HydrophobicContact CZ2-CD1 3.74Å; V2097-I2102 HydrophobicContact CG1-CG1 4.31Å; V2097-I2102 HydrophobicContact CG2-CG1 4.23Å; V2097-I2102 HydrophobicContact CG2-CG2 4.27Å; I2102-F2104 HydrophobicContact CG2-CD1 4.17Å; I2102-F2104 HydrophobicContact CG2-CD2 4.17Å; I2102-F2104 HydrophobicContact CG2-CE1 3.69Å; I2102-F2104 HydrophobicContact CG2-CE2 3.68Å; I2102-F2104 HydrophobicContact CG2-CG 4.42Å; I2102-F2104 HydrophobicContact CG2-CZ 3.43Å; I2102-F2104 VanDerWaalsContact CG2-CZ 3.43Å; I2102-P2113 WeakPolarHBondContact O-CD 3.44Å; I2102-L2117 HydrophobicContact CD1-CD1 3.9Å |
| 2103 | E | 56.1 | Low | 48.9 | Very low | 39 Ų | 39 | 45.2 Ų | 45.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115 | 172.8 | -175.2 | 175.5 | 162.6 | 0 | 0 | 109.3 | V2096 K2110 K2112 | V2096-E2103 PolarHBondContact N-O 3.22Å; V2096-E2103 PolarHBondContact O-N 3.44Å; E2103-K2110 VanDerWaalsContact OE1-CD 3.3Å; E2103-K2110 WeakPolarHBondContact OE1-CD 3.41Å; E2103-K2110 WeakPolarHBondContact OE1-CE 3.31Å; E2103-K2110 IonicContact OE1-NZ 3.2Å; E2103-K2110 PolarHBondContact OE1-NZ 3.1Å; E2103-K2112 HydrophobicContact CB-CG 4.3Å; E2103-K2112 HydrophobicContact CG-CG 4.04Å; E2103-K2112 WeakPolarHBondContact OE2-CE 3.44Å; E2103-K2112 IonicContact OE2-NZ 2.69Å; E2103-K2112 PolarHBondContact OE2-NZ 2.82Å |
| 2104 | F | 57 | Low | 49.1 | Very low | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 141.6 | 173.4 | -57.9 | -68.8 | 0 | 0 | 0 | 109.6 | W2052 F2054 F2065 F2093 I2094 A2095 I2102 V2106 K2110 I2111 P2113 | W2052-F2104 HydrophobicContact CE3-CZ 4.31Å; W2052-F2104 HydrophobicContact CH2-CE1 4.35Å; W2052-F2104 HydrophobicContact CH2-CZ 4.11Å; W2052-F2104 HydrophobicContact CZ3-CE1 4.29Å; W2052-F2104 AromaticContact CZ3-CZ 3.82Å; W2052-F2104 HydrophobicContact CZ3-CZ 3.82Å; F2054-F2104 HydrophobicContact CB-CZ 4.14Å; F2054-F2104 HydrophobicContact CD1-CD1 4.42Å; F2054-F2104 HydrophobicContact CD1-CE1 4.41Å; F2054-F2104 HydrophobicContact CD2-CD2 4.39Å; F2054-F2104 HydrophobicContact CD2-CE2 4.23Å; F2054-F2104 HydrophobicContact CE1-CG 4.47Å; F2054-F2104 HydrophobicContact CE2-CD2 4.4Å; F2054-F2104 HydrophobicContact CG-CE1 4.48Å; F2054-F2104 HydrophobicContact CG-CE2 4.27Å; F2054-F2104 HydrophobicContact CG-CZ 4.2Å; F2065-F2104 AromaticContact CD2-CE2 3.92Å; F2065-F2104 HydrophobicContact CD2-CE2 3.92Å; F2065-F2104 AromaticContact CE2-CE2 3.95Å; F2065-F2104 HydrophobicContact CE2-CE2 3.95Å; F2065-F2104 HydrophobicContact CE2-CZ 4.38Å; F2093-F2104 HydrophobicContact CE2-CB 4.31Å; F2093-F2104 AromaticContact CE2-CD1 3.78Å; F2093-F2104 HydrophobicContact CE2-CD1 3.78Å; F2093-F2104 HydrophobicContact CE2-CG 4.4Å; F2093-F2104 AromaticContact CZ-CD1 3.52Å; F2093-F2104 HydrophobicContact CZ-CD1 3.52Å; F2093-F2104 AromaticContact CZ-CE1 3.93Å; F2093-F2104 HydrophobicContact CZ-CE1 3.93Å; I2094-F2104 CarbonylContact O-C 2.93Å; A2095-F2104 HydrophobicContact CB-CD1 3.89Å; A2095-F2104 HydrophobicContact CB-CE1 4.11Å; I2102-F2104 HydrophobicContact CG2-CD1 4.17Å; I2102-F2104 HydrophobicContact CG2-CD2 4.17Å; I2102-F2104 HydrophobicContact CG2-CE1 3.69Å; I2102-F2104 HydrophobicContact CG2-CE2 3.68Å; I2102-F2104 HydrophobicContact CG2-CG 4.42Å; I2102-F2104 HydrophobicContact CG2-CZ 3.43Å; I2102-F2104 VanDerWaalsContact CG2-CZ 3.43Å; F2104-V2106 HydrophobicContact CB-CG2 3.98Å; F2104-K2110 CarbonylContact O-C 3.44Å; F2104-K2110 WeakPolarHBondContact O-CA 3.09Å; F2104-I2111 HydrophobicContact CB-CB 4.34Å; F2104-I2111 PolarHBondContact N-O 2.62Å; F2104-I2111 PolarHBondContact O-N 2.94Å; F2104-P2113 HydrophobicContact CE2-CG 4.45Å |
| 2105 | T | 53.9 | Low | 49.1 | Very low | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116 | 166.2 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | I2094 K2109 K2110 | I2094-T2105 PolarHBondContact N-O 2.8Å; I2094-T2105 PolarHBondContact O-N 2.97Å; T2105-K2109 WeakPolarHBondContact CA-O 3.3Å; T2105-K2110 HydrophobicContact CG2-CG 4.38Å |
| 2106 | V | 51.1 | Low | 48.9 | Very low | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130.3 | -169.1 | -162.8 | 0 | 0 | 0 | 0 | 109.2 | F2054 I2056 A2063 F2093 F2104 G2108 K2109 I2111 | F2054-V2106 HydrophobicContact CE1-CG2 3.77Å; F2054-V2106 HydrophobicContact CZ-CG2 3.76Å; I2056-V2106 HydrophobicContact CD1-CG1 4.11Å; I2056-V2106 HydrophobicContact CG1-CG1 4.46Å; I2056-V2106 HydrophobicContact CG2-CG1 4.49Å; A2063-V2106 HydrophobicContact CB-CG1 4.49Å; F2093-V2106 HydrophobicContact CD2-CG2 3.91Å; F2093-V2106 HydrophobicContact CE2-CG2 3.91Å; F2104-V2106 HydrophobicContact CB-CG2 3.98Å; V2106-G2108 PolarHBondContact O-N 2.88Å; V2106-G2108 VanDerWaalsContact O-N 3.07Å; V2106-K2109 PolarHBondContact N-O 2.97Å; V2106-K2109 PolarHBondContact O-N 2.61Å; V2106-I2111 HydrophobicContact CB-CD1 4.27Å; V2106-I2111 HydrophobicContact CG2-CD1 4.17Å |
| 2107 | F | 50.6 | Low | 48.6 | Very low | 54 Ų | 54 | 61.7 Ų | 61.7 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 33.5 | -172.3 | -48.1 | -58.2 | 0 | 0 | 0 | 113.5 | I2056 Q2061 K2109 | I2056-F2107 HydrophobicContact CG2-CE2 4.44Å; I2056-F2107 HydrophobicContact CG2-CZ 3.9Å; Q2061-F2107 HydrophobicContact CB-CE2 4.49Å; Q2061-F2107 HydrophobicContact CB-CZ 4.34Å; Q2061-F2107 WeakPolarHBondContact O-CE2 3.44Å; F2107-K2109 PolarHBondContact O-N 3.06Å |
| 2108 | G | 47.2 | Very low | 48.5 | Very low | 72 Ų | 72 | 65.3 Ų | 65.3 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V2106 | V2106-G2108 PolarHBondContact O-N 2.88Å; V2106-G2108 VanDerWaalsContact O-N 3.07Å |
| 2109 | K | 47.7 | Very low | 48 | Very low | 115 Ų | 115 | 64.8 Ų | 64.8 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134.2 | 174.5 | -78.6 | 176.8 | 173.5 | 168.6 | 0 | 110.9 | N2081 T2105 V2106 F2107 | N2081-K2109 WeakPolarHBondContact OD1-CE 3.47Å; N2081-K2109 PolarHBondContact OD1-NZ 3.07Å; T2105-K2109 WeakPolarHBondContact CA-O 3.3Å; V2106-K2109 PolarHBondContact N-O 2.97Å; V2106-K2109 PolarHBondContact O-N 2.61Å; F2107-K2109 PolarHBondContact O-N 3.06Å |
| 2110 | K | 53.8 | Low | 47.7 | Very low | 125 Ų | 125 | 69 Ų | 69 | 54% | 0.543 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130 | 166.2 | -75.6 | 168 | 170.7 | -69.4 | 0 | 109.3 | E2103 F2104 T2105 | E2103-K2110 VanDerWaalsContact OE1-CD 3.3Å; E2103-K2110 WeakPolarHBondContact OE1-CD 3.41Å; E2103-K2110 WeakPolarHBondContact OE1-CE 3.31Å; E2103-K2110 IonicContact OE1-NZ 3.2Å; E2103-K2110 PolarHBondContact OE1-NZ 3.1Å; F2104-K2110 CarbonylContact O-C 3.44Å; F2104-K2110 WeakPolarHBondContact O-CA 3.09Å; T2105-K2110 HydrophobicContact CG2-CG 4.38Å |
| 2111 | I | 53.1 | Low | 47.7 | Very low | 10 Ų | 10 | 73.3 Ų | 73.3 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.4 | 178.4 | -65.1 | 165.7 | 0 | 0 | 0 | 107.2 | F2054 F2079 F2104 V2106 | F2054-I2111 HydrophobicContact CZ-CD1 4.37Å; F2079-I2111 HydrophobicContact CD1-CD1 4.43Å; F2079-I2111 HydrophobicContact CD1-CG1 4.49Å; F2079-I2111 HydrophobicContact CD2-CD1 3.73Å; F2079-I2111 HydrophobicContact CD2-CG1 4.36Å; F2079-I2111 HydrophobicContact CD2-CG2 4.49Å; F2079-I2111 HydrophobicContact CE1-CG1 4.2Å; F2079-I2111 HydrophobicContact CE2-CB 4.45Å; F2079-I2111 HydrophobicContact CE2-CD1 3.85Å; F2079-I2111 HydrophobicContact CE2-CG1 4.06Å; F2079-I2111 HydrophobicContact CE2-CG2 3.55Å; F2079-I2111 HydrophobicContact CG-CD1 4.03Å; F2079-I2111 HydrophobicContact CZ-CB 4.36Å; F2079-I2111 HydrophobicContact CZ-CD1 4.24Å; F2079-I2111 HydrophobicContact CZ-CG1 3.97Å; F2079-I2111 HydrophobicContact CZ-CG2 3.57Å; F2104-I2111 HydrophobicContact CB-CB 4.34Å; F2104-I2111 PolarHBondContact N-O 2.62Å; F2104-I2111 PolarHBondContact O-N 2.94Å; V2106-I2111 HydrophobicContact CB-CD1 4.27Å; V2106-I2111 HydrophobicContact CG2-CD1 4.17Å |
| 2112 | K | 55.9 | Low | 47.1 | Very low | 101 Ų | 101 | 73.5 Ų | 73.5 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | trans | -117.2 | 110.8 | 168.7 | -71.8 | -180 | 179.9 | -80.6 | 0 | 108.1 | E2103 E2114 | E2103-K2112 HydrophobicContact CB-CG 4.3Å; E2103-K2112 HydrophobicContact CG-CG 4.04Å; E2103-K2112 WeakPolarHBondContact OE2-CE 3.44Å; E2103-K2112 IonicContact OE2-NZ 2.69Å; E2103-K2112 PolarHBondContact OE2-NZ 2.82Å; K2112-E2114 PolarHBondContact O-N 3.15Å | ||
| 2113 | P | 50.1 | Low | 46.7 | Very low | 16 Ų | 16 | 76.9 Ų | 76.9 | 10% | 0.104 | 40% | 0.398 | C | S | . | . | trans | -64.7 | 130.5 | 165.2 | -15.8 | 30.7 | 0 | 0 | 0 | 108.8 | F2065 I2102 F2104 V2115 | F2065-P2113 HydrophobicContact CD1-CB 4.08Å; F2065-P2113 HydrophobicContact CD1-CG 4.01Å; F2065-P2113 HydrophobicContact CD2-CG 4.41Å; F2065-P2113 HydrophobicContact CE1-CB 3.75Å; F2065-P2113 HydrophobicContact CE1-CG 3.85Å; F2065-P2113 HydrophobicContact CE2-CG 4.26Å; F2065-P2113 HydrophobicContact CG-CG 4.29Å; F2065-P2113 HydrophobicContact CZ-CB 4.24Å; F2065-P2113 HydrophobicContact CZ-CG 3.98Å; I2102-P2113 WeakPolarHBondContact O-CD 3.44Å; F2104-P2113 HydrophobicContact CE2-CG 4.45Å; P2113-V2115 PolarHBondContact O-N 2.87Å | ||
| 2114 | E | 44.5 | Very low | 46 | Very low | 189 Ų | 189 | 77.6 Ų | 77.6 | 88% | 0.883 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -78 | 51.7 | 176.4 | -64.2 | -165.7 | 134.2 | 0 | 0 | 112 | K2112 | K2112-E2114 PolarHBondContact O-N 3.15Š|
| 2115 | V | 43.1 | Very low | 45.1 | Very low | 49 Ų | 49 | 81.3 Ų | 81.3 | 30% | 0.297 | 42% | 0.423 | S | S | . | . | trans | -125.4 | 113.5 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | L2067 P2113 L2117 | L2067-V2115 HydrophobicContact CD2-CB 4.2Å; L2067-V2115 HydrophobicContact CD2-CG1 3.71Å; L2067-V2115 HydrophobicContact CD2-CG2 3.96Å; P2113-V2115 PolarHBondContact O-N 2.87Å; V2115-L2117 HydrophobicContact CG1-CD2 4.19Å; V2115-L2117 HydrophobicContact CG1-CG 4.44Å; V2115-L2117 PolarHBondContact O-N 2.89Å; V2115-L2117 VanDerWaalsContact O-N 3.15Å | ||
| 2116 | F | 40 | Very low | 44.7 | Very low | 188 Ų | 188 | 85.6 Ų | 85.6 | 83% | 0.825 | 44% | 0.436 | S | S | * | . | trans | -69 | 104.1 | 167.4 | -98.1 | -93.9 | 0 | 0 | 0 | 109.7 | ||||
| 2117 | L | 42.2 | Very low | 44.2 | Very low | 11 Ų | 11 | 88 Ų | 88 | 6% | 0.058 | 45% | 0.448 | C | S | . | . | trans | -87.1 | 136.9 | 168.2 | -62 | 167.5 | 0 | 0 | 0 | 108.4 | M2046 L2067 G2100 I2102 V2115 A2119 | M2046-L2117 HydrophobicContact CE-CB 4.08Å; M2046-L2117 HydrophobicContact CE-CD1 3.76Å; M2046-L2117 HydrophobicContact CE-CG 4.43Å; M2046-L2117 HydrophobicContact SD-CB 4.07Å; M2046-L2117 HydrophobicContact SD-CD1 4.24Å; M2046-L2117 HydrophobicContact SD-CD2 4.33Å; M2046-L2117 HydrophobicContact SD-CG 4.44Å; L2067-L2117 HydrophobicContact CD1-CD2 4.15Å; G2100-L2117 VanDerWaalsContact CA-O 3.27Å; G2100-L2117 WeakPolarHBondContact CA-O 3.37Å; I2102-L2117 HydrophobicContact CD1-CD1 3.9Å; V2115-L2117 HydrophobicContact CG1-CD2 4.19Å; V2115-L2117 HydrophobicContact CG1-CG 4.44Å; V2115-L2117 PolarHBondContact O-N 2.89Å; V2115-L2117 VanDerWaalsContact O-N 3.15Å; L2117-A2119 PolarHBondContact O-N 2.73Å | ||
| 2118 | P | 40.7 | Very low | 43.9 | Very low | 94 Ų | 94 | 91 Ų | 91 | 61% | 0.61 | 47% | 0.467 | S | S | * | . | trans | -63.5 | 137.3 | -179.7 | 26.1 | -33.6 | 0 | 0 | 0 | 110.4 | R2120 | P2118-R2120 PolarHBondContact O-N 3.12Š| ||
| 2119 | A | 34.5 | Very low | 43.5 | Very low | 75 Ų | 75 | 88.6 Ų | 88.6 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -74.5 | 47.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | L2117 | L2117-A2119 PolarHBondContact O-N 2.73Š|
| 2120 | R | 39.2 | Very low | 42.9 | Very low | 197 Ų | 197 | 86.4 Ų | 86.4 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | trans | -122.2 | 128.5 | 179.6 | -67.7 | -170.7 | 178.3 | -161.6 | -0.3 | 111.2 | P2118 | P2118-R2120 PolarHBondContact O-N 3.12Š| ||
| 2121 | V | 42 | Very low | 42.2 | Very low | 101 Ų | 101 | 87.5 Ų | 87.5 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | trans | 24.9 | 108.8 | 157.9 | -168 | 0 | 0 | 0 | 0 | 116.2 | N2123 | V2121-N2123 PolarHBondContact O-N 2.81Š| ||
| 2122 | F | 36.7 | Very low | 41.2 | Very low | 67 Ų | 67 | 88.2 Ų | 88.2 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 120.3 | 156.2 | -68.4 | -77 | 0 | 0 | 0 | 108.9 | A2044 M2046 W2052 V2097 | A2044-F2122 HydrophobicContact CB-CD1 3.85Å; A2044-F2122 HydrophobicContact CB-CE1 3.89Å; M2046-F2122 HydrophobicContact CE-CD1 4.18Å; M2046-F2122 HydrophobicContact CE-CE1 3.56Å; M2046-F2122 HydrophobicContact CE-CZ 4.03Å; M2046-F2122 HydrophobicContact CG-CD1 4.41Å; W2052-F2122 HydrophobicContact CZ2-CE1 4.1Å; W2052-F2122 AromaticContact NE1-CE1 3.94Å; V2097-F2122 HydrophobicContact CB-CE2 4.42Å; V2097-F2122 HydrophobicContact CB-CZ 4.45Å; V2097-F2122 HydrophobicContact CG1-CE2 3.89Å; V2097-F2122 HydrophobicContact CG1-CZ 3.87Å; V2097-F2122 HydrophobicContact CG2-CE2 4.36Å; V2097-F2122 HydrophobicContact CG2-CZ 4.04Å |
| 2123 | N | 40.8 | Very low | 40.1 | Very low | 80 Ų | 80 | 91.7 Ų | 91.7 | 43% | 0.428 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -40.8 | 172.4 | -76.2 | -29.8 | 0 | 0 | 0 | 110.2 | E2045 D2047 V2121 | E2045-N2123 PolarHBondContact O-N 2.92Å; D2047-N2123 PolarHBondContact N-ND2 3.06Å; D2047-N2123 PolarHBondContact OD1-ND2 3.06Å; V2121-N2123 PolarHBondContact O-N 2.81Å |
| 2124 | N | 41.4 | Very low | 39 | Very low | 53 Ų | 53 | 96.3 Ų | 96.3 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.9 | 178.9 | -70.2 | -53.3 | 0 | 0 | 0 | 111.1 | A2044 E2045 W2126 | A2044-N2124 VanDerWaalsContact CA-O 3.31Å; A2044-N2124 WeakPolarHBondContact CA-O 3.31Å; E2045-N2124 HydrophobicContact CB-CB 3.92Å; E2045-N2124 PolarHBondContact N-O 3.25Å; E2045-N2124 PolarHBondContact O-N 3.12Å; E2045-N2124 PolarHBondContact OE2-ND2 3.45Å; N2124-W2126 HydrophobicContact CB-CD2 4.44Å; N2124-W2126 HydrophobicContact CB-CE3 3.93Å; N2124-W2126 HydrophobicContact CB-CH2 3.45Å; N2124-W2126 VanDerWaalsContact CB-CH2 3.45Å; N2124-W2126 HydrophobicContact CB-CZ2 3.99Å; N2124-W2126 HydrophobicContact CB-CZ3 3.43Å; N2124-W2126 VanDerWaalsContact CB-CZ3 3.43Å; N2124-W2126 WeakPolarHBondContact ND2-CH2 3.27Å; N2124-W2126 WeakPolarHBondContact OD1-CZ3 3.45Å |
| 2125 | L | 39.1 | Very low | 38.2 | Very low | 79 Ų | 79 | 92 Ų | 92 | 41% | 0.414 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.1 | 167.2 | 174.9 | 68.9 | 0 | 0 | 0 | 107.8 | L2027 A2044 | L2027-L2125 HydrophobicContact CD2-CD2 3.64Å; A2044-L2125 HydrophobicContact CB-CD1 3.92Å |
| 2126 | W | 44.9 | Very low | 37.3 | Very low | 119 Ų | 119 | 99.9 Ų | 99.9 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.1 | 175 | 39.7 | 64.2 | 0 | 0 | 0 | 111.3 | Y2043 N2124 | Y2043-W2126 AromaticContact CD1-CD1 3.93Å; Y2043-W2126 AromaticContact CD1-CE2 3.69Å; Y2043-W2126 AromaticContact CD1-CZ2 3.97Å; Y2043-W2126 HydrophobicContact CD1-CZ2 3.97Å; Y2043-W2126 AromaticContact CD1-NE1 3.07Å; Y2043-W2126 AromaticContact CE1-CZ2 3.86Å; Y2043-W2126 HydrophobicContact CE1-CZ2 3.86Å; Y2043-W2126 AromaticContact CE1-NE1 3.82Å; Y2043-W2126 AromaticContact CG-NE1 3.44Å; Y2043-W2126 PolarHBondContact N-O 3.34Å; Y2043-W2126 PolarHBondContact O-N 3.2Å; Y2043-W2126 VanDerWaalsContact O-N 3.08Å; N2124-W2126 HydrophobicContact CB-CD2 4.44Å; N2124-W2126 HydrophobicContact CB-CE3 3.93Å; N2124-W2126 HydrophobicContact CB-CH2 3.45Å; N2124-W2126 VanDerWaalsContact CB-CH2 3.45Å; N2124-W2126 HydrophobicContact CB-CZ2 3.99Å; N2124-W2126 HydrophobicContact CB-CZ3 3.43Å; N2124-W2126 VanDerWaalsContact CB-CZ3 3.43Å; N2124-W2126 WeakPolarHBondContact ND2-CH2 3.27Å; N2124-W2126 WeakPolarHBondContact OD1-CZ3 3.45Å |
| 2127 | I | 40.5 | Very low | 36.5 | Very low | 54 Ų | 54 | 97.2 Ų | 97.2 | 28% | 0.277 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 120.4 | -173 | -53.7 | 173.8 | 0 | 0 | 0 | 106.3 | I2040 I2041 F2042 I2132 F2134 | I2040-I2127 HydrophobicContact CG2-CG2 4.44Å; I2041-I2127 WeakPolarHBondContact O-CA 3.38Å; F2042-I2127 HydrophobicContact CD1-CB 4.47Å; F2042-I2127 HydrophobicContact CD1-CD1 4.01Å; F2042-I2127 HydrophobicContact CD1-CG1 3.78Å; F2042-I2127 HydrophobicContact CD1-CG2 4.03Å; F2042-I2127 HydrophobicContact CE1-CD1 3.86Å; F2042-I2127 HydrophobicContact CE1-CG1 4.05Å; F2042-I2127 HydrophobicContact CE1-CG2 3.83Å; F2042-I2127 HydrophobicContact CZ-CG2 4.32Å; I2127-I2132 HydrophobicContact CG2-CD1 3.99Å; I2127-F2134 HydrophobicContact CB-CZ 4.44Å; I2127-F2134 HydrophobicContact CD1-CE1 3.88Å; I2127-F2134 HydrophobicContact CD1-CZ 4.02Å |
| 2128 | D | 44.2 | Very low | 35.6 | Very low | 117 Ų | 117 | 101 Ų | 101 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.4 | 176.3 | -162.6 | 3.8 | 0 | 0 | 0 | 111 | I2041 | I2041-D2128 PolarHBondContact N-O 3.42Å; I2041-D2128 PolarHBondContact O-N 3.38Å |
| 2129 | G | 39.3 | Very low | 34.7 | Very low | 21 Ų | 21 | 102.5 Ų | 102.5 | 22% | 0.216 | 52% | 0.524 | C | S | . | . | trans | 146.8 | 124.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I2132 | G2129-I2132 WeakPolarHBondContact O-CD1 3.46Å; G2129-I2132 WeakPolarHBondContact O-CG1 3.43Å | ||
| 2130 | A | 35.3 | Very low | 34 | Very low | 69 Ų | 69 | 106.7 Ų | 106.7 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 156.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q2038 I2132 | Q2038-A2130 PolarHBondContact NE2-O 2.96Å; Q2038-A2130 PolarHBondContact OE1-O 2.94Å; A2130-I2132 PolarHBondContact O-N 3.36Å |
| 2131 | D | 37.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 105.8 Ų | 105.8 | 79% | 0.791 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 20.5 | 172.4 | -68.6 | -19.6 | 0 | 0 | 0 | 117.5 | K2133 | D2131-K2133 PolarHBondContact O-N 3.01Š|
| 2132 | I | 33.4 | Very low | 32.2 | Very low | 25 Ų | 25 | 110.7 Ų | 110.7 | 13% | 0.128 | 54% | 0.535 | C | S | . | . | trans | -68.5 | 118.8 | 173.5 | -58.2 | 176.3 | 0 | 0 | 0 | 110.3 | V2031 L2033 I2040 I2127 G2129 A2130 F2134 | V2031-I2132 HydrophobicContact CG1-CG2 3.7Å; L2033-I2132 HydrophobicContact CD2-CD1 4.4Å; L2033-I2132 HydrophobicContact CD2-CG1 3.9Å; L2033-I2132 HydrophobicContact CD2-CG2 4.31Å; I2040-I2132 HydrophobicContact CG2-CD1 4.39Å; I2127-I2132 HydrophobicContact CG2-CD1 3.99Å; G2129-I2132 WeakPolarHBondContact O-CD1 3.46Å; G2129-I2132 WeakPolarHBondContact O-CG1 3.43Å; A2130-I2132 PolarHBondContact O-N 3.36Å; I2132-F2134 HydrophobicContact CB-CD2 4.39Å; I2132-F2134 HydrophobicContact CB-CE2 3.91Å; I2132-F2134 HydrophobicContact CB-CZ 4.48Å; I2132-F2134 HydrophobicContact CG2-CD2 3.86Å; I2132-F2134 HydrophobicContact CG2-CE1 4.35Å; I2132-F2134 HydrophobicContact CG2-CE2 3.53Å; I2132-F2134 HydrophobicContact CG2-CG 4.4Å; I2132-F2134 HydrophobicContact CG2-CZ 3.81Å; I2132-F2134 PolarHBondContact O-N 3.3Å | ||
| 2133 | K | 32.4 | Very low | 31.5 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | trans | -94.3 | 90.9 | 176.7 | -163.3 | -175.6 | -177.6 | -168.7 | 0 | 111.6 | D2131 | D2131-K2133 PolarHBondContact O-N 3.01Š| ||
| 2134 | F | 27.8 | Very low | 30.5 | Very low | 113 Ų | 113 | 119 Ų | 119 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | trans | -63.3 | 145.1 | 179.7 | -74.6 | -87.2 | 0 | 0 | 0 | 114.1 | I2127 I2132 | I2127-F2134 HydrophobicContact CB-CZ 4.44Å; I2127-F2134 HydrophobicContact CD1-CE1 3.88Å; I2127-F2134 HydrophobicContact CD1-CZ 4.02Å; I2132-F2134 HydrophobicContact CB-CD2 4.39Å; I2132-F2134 HydrophobicContact CB-CE2 3.91Å; I2132-F2134 HydrophobicContact CB-CZ 4.48Å; I2132-F2134 HydrophobicContact CG2-CD2 3.86Å; I2132-F2134 HydrophobicContact CG2-CE1 4.35Å; I2132-F2134 HydrophobicContact CG2-CE2 3.53Å; I2132-F2134 HydrophobicContact CG2-CG 4.4Å; I2132-F2134 HydrophobicContact CG2-CZ 3.81Å; I2132-F2134 PolarHBondContact O-N 3.3Å | ||
| 2135 | T | 28 | Very low | 29.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | trans | -132.6 | 122.9 | 164.7 | -56.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2136 | W | 22.2 | Very low | 28.5 | Very low | 215 Ų | 215 | 127.1 Ų | 127.1 | 81% | 0.814 | 62% | 0.618 | S | S | * | * | trans | -99 | 130.8 | -172.2 | -118.6 | 68.5 | 0 | 0 | 0 | 111.6 | ||||
| 2137 | H | 24.1 | Very low | 27.4 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 61% | 0.611 | 64% | 0.639 | S | S | * | * | trans | -132.5 | 81.3 | 175 | -74 | -63.7 | 0 | 0 | 0 | 111.1 | I2139 | H2137-I2139 PolarHBondContact O-N 2.69Š| ||
| 2138 | S | 23.5 | Very low | 26.4 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -81.2 | 111.3 | 169.2 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2139 | I | 21.5 | Very low | 25.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -118.9 | 109.5 | 175.2 | -44.9 | -179.9 | 0 | 0 | 0 | 108.9 | H2137 W2141 | H2137-I2139 PolarHBondContact O-N 2.69Å; I2139-W2141 PolarHBondContact O-N 2.76Å | ||
| 2140 | Y | 20.3 | Very low | 24.5 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -76.5 | 115.7 | 176.9 | -114.5 | -92.9 | 0 | 0 | 0 | 110.2 | W2019 | W2019-Y2140 HydrophobicContact CZ3-CE2 4.37Š| ||
| 2141 | W | 23.4 | Very low | 24 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | trans | -109.6 | 122.6 | -179.7 | -87.6 | 75.1 | 0 | 0 | 0 | 112.4 | I2139 | I2139-W2141 PolarHBondContact O-N 2.76Š| ||
| 2142 | K | 20.2 | Very low | 23.6 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | -104.7 | 82.1 | 173.8 | -167 | 175.9 | -179.8 | -179.3 | 0 | 111.7 | ||||
| 2143 | K | 20.7 | Very low | 23.1 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 49 | 89 | 146.2 | -165.8 | -176 | -172 | -179.2 | 0 | 117.5 | ||
| 2144 | T | 19.8 | Very low | 22.6 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -172.8 | 92.3 | 135.2 | -72 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2145 | L | 21.1 | Very low | 22.3 | Very low | 126 Ų | 126 | 152 Ų | 152 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -164.3 | 81.2 | 165 | -126.7 | 164.3 | 0 | 0 | 0 | 111.8 | ||||
| 2146 | M | 19 | Very low | 21.9 | Very low | 176 Ų | 176 | 151 Ų | 151 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -100.4 | 166.5 | 150.1 | -74.6 | -170.6 | 176.7 | 0 | 0 | 108.4 | ||||
| 2147 | T | 20.8 | Very low | 21.8 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | 64.6 | 61.7 | 174.6 | 67.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 2148 | S | 20.4 | Very low | 21.8 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -145.7 | 76.7 | 147.4 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2149 | R | 19 | Very low | 21.7 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -116.8 | 90.8 | 178 | -160.4 | -171.8 | -150.8 | -169.2 | 9.4 | 109.2 | ||||
| 2150 | N | 24 | Very low | 21.6 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -68 | 152.7 | 172.2 | -69.3 | -12.7 | 0 | 0 | 0 | 110.1 | ||||
| 2151 | R | 25.4 | Very low | 21.7 | Very low | 250 Ų | 250 | 146.5 Ų | 146.5 | 94% | 0.943 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.4 | 0.1 | -137.4 | -139.4 | 179.5 | -172.3 | -175.1 | 1.4 | 116.8 | ||
| 2152 | D | 28.3 | Very low | 21.7 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -130.3 | -21 | -168.8 | 54 | -5.5 | 0 | 0 | 0 | 114.7 | ||
| 2153 | G | 23.3 | Very low | 21.7 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | 70.6 | 43.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2154 | S | 21.9 | Very low | 21.7 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -120.9 | 161.4 | 170.8 | 62 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2155 | F | 20.9 | Very low | 21.8 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -127.1 | 149.1 | -176.1 | -71.4 | -101.6 | 0 | 0 | 0 | 110.2 | ||||
| 2156 | S | 20.8 | Very low | 21.8 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 53% | 0.531 | 73% | 0.731 | S | S | . | * | trans | -110.8 | 135.4 | 170.8 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | N288 | N288-S2156 WeakPolarHBondContact OD1-CB 3.47Å; N288-S2156 PolarHBondContact OD1-OG 3.44Å | ||
| 2157 | Q | 20.4 | Very low | 21.8 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -88.1 | 148.6 | 170.7 | -61.8 | 168.1 | -77.2 | 0 | 0 | 109.7 | ||||
| 2158 | Y | 23.1 | Very low | 21.8 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | 172.5 | 157.6 | 115.1 | -95.1 | -68.6 | 0 | 0 | 0 | 110.7 | |||||
| 2159 | D | 21.1 | Very low | 21.7 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -135.3 | 153.6 | -152.4 | -124.1 | -34.5 | 0 | 0 | 0 | 112 | ||||
| 2160 | V | 20.8 | Very low | 21.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | trans | 45.4 | 118.1 | 159.8 | -164.9 | 0 | 0 | 0 | 0 | 120 | N312 | N312-V2160 WeakPolarHBondContact OD1-CA 3.45Å; N312-V2160 WeakPolarHBondContact OD1-CG2 3.05Å | ||
| 2161 | G | 21.8 | Very low | 21.4 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | trans | -150.6 | 115.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2162 | P | 22.8 | Very low | 21.2 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | trans | -115.9 | 94.6 | -165.2 | 38.6 | -28.6 | 0 | 0 | 0 | 115.6 | ||||
| 2163 | D | 20.8 | Very low | 20.7 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | trans | -99.9 | 37.2 | 175.8 | -78.2 | -55.3 | 0 | 0 | 0 | 114.4 | F2165 | D2163-F2165 PolarHBondContact O-N 2.9Š| ||
| 2164 | D | 21.2 | Very low | 20.7 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 41% | 0.412 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | 3.7 | 173.1 | -117.6 | -66.3 | 0 | 0 | 0 | 114.2 | Y330 R2167 | Y330-D2164 PolarHBondContact OH-OD1 3.27Å; Y330-D2164 VanDerWaalsContact OH-OD1 3.12Å; Y330-D2164 PolarHBondContact OH-OD2 3.18Å; D2164-R2167 IonicContact OD1-CZ 3.22Å; D2164-R2167 IonicContact OD1-NE 3.87Å; D2164-R2167 PolarHBondContact OD1-NE 2.89Å; D2164-R2167 IonicContact OD1-NH2 3.59Å; D2164-R2167 PolarHBondContact OD1-NH2 2.9Å |
| 2165 | F | 20.6 | Very low | 20.6 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -22.6 | 179.8 | -159.7 | -98.9 | 0 | 0 | 0 | 113.2 | D2163 R2167 | D2163-F2165 PolarHBondContact O-N 2.9Å; F2165-R2167 PolarHBondContact O-N 3.48Å; F2165-R2167 VanDerWaalsContact O-N 3.14Å |
| 2166 | I | 21.2 | Very low | 20.5 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -89 | 35.7 | 178.8 | -37.5 | -174.7 | 0 | 0 | 0 | 111.5 | ||
| 2167 | R | 18.5 | Very low | 20.5 | Very low | 76 Ų | 76 | 128 Ų | 128 | 29% | 0.287 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -97.7 | 133.9 | 166 | -159.6 | -176.3 | -60.3 | -93.9 | -8.7 | 108.4 | D328 D2164 F2165 | D328-R2167 IonicContact OD1-CZ 2.66Å; D328-R2167 IonicContact OD1-NH1 3.13Å; D328-R2167 PolarHBondContact OD1-NH1 3.04Å; D328-R2167 IonicContact OD1-NH2 3.82Å; D328-R2167 PolarHBondContact OD1-NH2 2.91Å; D328-R2167 IonicContact OD2-CZ 2.98Å; D328-R2167 IonicContact OD2-NH2 2.73Å; D328-R2167 PolarHBondContact OD2-NH2 2.78Å; D2164-R2167 IonicContact OD1-CZ 3.22Å; D2164-R2167 IonicContact OD1-NE 3.87Å; D2164-R2167 PolarHBondContact OD1-NE 2.89Å; D2164-R2167 IonicContact OD1-NH2 3.59Å; D2164-R2167 PolarHBondContact OD1-NH2 2.9Å; F2165-R2167 PolarHBondContact O-N 3.48Å; F2165-R2167 VanDerWaalsContact O-N 3.14Å |
| 2168 | V | 20.7 | Very low | 20.6 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 73.9 | 50 | 177.8 | -155 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2169 | A | 19 | Very low | 20.5 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | trans | -133 | 58.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2170 | M | 18.8 | Very low | 20.4 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | 66.1 | 156.1 | 154.8 | -56.1 | -169.6 | -157 | 0 | 0 | 117.4 | ||||
| 2171 | K | 18.8 | Very low | 20.4 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | cis | -153.9 | 142.9 | -16.1 | -108.7 | 159.8 | -175 | 165.3 | 0 | 105.9 | ||||
| 2172 | F | 19.4 | Very low | 20.3 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 66% | 0.658 | 72% | 0.717 | S | S | * | * | trans | -68.1 | 148.1 | 171.2 | -73.2 | -106.6 | 0 | 0 | 0 | 110.8 | W320 | W320-F2172 HydrophobicContact CH2-CE1 4.31Å; W320-F2172 AromaticContact CH2-CZ 3.8Å; W320-F2172 HydrophobicContact CH2-CZ 3.8Å; W320-F2172 HydrophobicContact CZ2-CZ 4.31Å | ||
| 2173 | P | 19.7 | Very low | 20.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | -140.2 | 154.3 | 115.5 | 36.4 | -24 | 0 | 0 | 0 | 115.2 | |||||
| 2174 | L | 21.5 | Very low | 20.2 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -90.1 | 154.4 | 161.1 | -63.7 | 147.3 | 0 | 0 | 0 | 107.9 | ||||
| 2175 | P | 20.4 | Very low | 20.1 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | -159 | -179.8 | 91.4 | 42.5 | -22.4 | 0 | 0 | 0 | 117.7 | |||||
| 2176 | S | 19.6 | Very low | 20.1 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | 23.9 | 127.7 | 148 | 60.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2177 | V | 20.8 | Very low | 20.1 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 55.9 | 112.6 | 70.8 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 2178 | D | 21.3 | Very low | 20 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | -159.4 | 164.3 | 70.3 | -167.8 | 13.4 | 0 | 0 | 0 | 112.1 | R2180 | D2178-R2180 IonicContact OD2-CZ 3.9Å; D2178-R2180 IonicContact OD2-NE 2.78Å; D2178-R2180 PolarHBondContact OD2-NE 2.93Å; D2178-R2180 IonicContact OD2-NH2 2.88Å; D2178-R2180 PolarHBondContact OD2-NH2 3.49Å | |||
| 2179 | G | 22.3 | Very low | 19.9 | Very low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -117.9 | 104 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2180 | R | 18.2 | Very low | 20 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -142.7 | 159.2 | 177.9 | -59.6 | -169.5 | -162.9 | -152.5 | 1.2 | 114.1 | D2178 | D2178-R2180 IonicContact OD2-CZ 3.9Å; D2178-R2180 IonicContact OD2-NE 2.78Å; D2178-R2180 PolarHBondContact OD2-NE 2.93Å; D2178-R2180 IonicContact OD2-NH2 2.88Å; D2178-R2180 PolarHBondContact OD2-NH2 3.49Å | ||
| 2181 | K | 21 | Very low | 20 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 87.9 | 69.6 | 169 | -57.5 | 179.2 | 179.7 | 175.6 | 0 | 117.2 | ||||
| 2182 | N | 20.1 | Very low | 20 | Very low | 177 Ų | 177 | 145 Ų | 145 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | trans | -127.1 | 74.3 | 140.7 | -119 | -20 | 0 | 0 | 0 | 109.2 | ||||
| 2183 | N | 19.8 | Very low | 19.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 51.7 | -175.4 | -148.2 | 8.2 | 0 | 0 | 0 | 112.9 | ||||
| 2184 | I | 22.2 | Very low | 19.7 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -136.7 | 85.3 | 173.4 | -52.3 | 178.7 | 0 | 0 | 0 | 109.3 | ||||
| 2185 | R | 18.5 | Very low | 19.5 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 25.5 | 165.4 | -131.5 | 175.6 | -171.6 | -178.2 | 1.7 | 115.4 | ||||
| 2186 | L | 20.6 | Very low | 19.3 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -127.8 | 36.1 | -179.8 | -156.9 | 79.5 | 0 | 0 | 0 | 112.3 | ||||
| 2187 | L | 20.3 | Very low | 19.3 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -123.9 | 17.8 | -173 | -111.6 | 170.3 | 0 | 0 | 0 | 114.2 | ||
| 2188 | Q | 17.6 | Very low | 19.3 | Very low | 197 Ų | 197 | 159.3 Ų | 159.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -135.7 | 39.3 | 176.6 | -69 | -172 | -53.3 | 0 | 0 | 112.4 | ||
| 2189 | S | 18.7 | Very low | 19.5 | Very low | 101 Ų | 101 | 161 Ų | 161 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -135.2 | 27.2 | 168.9 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 2190 | I | 21.3 | Very low | 19.5 | Very low | 137 Ų | 137 | 163.2 Ų | 163.2 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | -109 | 154 | 164.5 | -59.3 | 176 | 0 | 0 | 0 | 106 | ||||
| 2191 | V | 19 | Very low | 19.8 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 76.7 | 55.5 | -173.1 | -158.6 | 0 | 0 | 0 | 0 | 114 | ||
| 2192 | A | 17.3 | Very low | 19.9 | Very low | 85 Ų | 85 | 156.5 Ų | 156.5 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | -142.1 | 144.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 2193 | N | 17 | Very low | 20.4 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | 78 | 97.7 | 178.1 | -52.9 | -22.4 | 0 | 0 | 0 | 117.5 | ||||
| 2194 | M | 16.9 | Very low | 20.7 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | -110 | 156.2 | 159.8 | -67.3 | 175.8 | 167.4 | 0 | 0 | 110.2 | ||||
| 2195 | K | 17.1 | Very low | 21.1 | Very low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 137.9 | 118.4 | 133.4 | -76.1 | -176.4 | 177.9 | -177.1 | 0 | 116.6 | ||||
| 2196 | L | 16.7 | Very low | 21.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | 53.9 | 137.8 | 129.8 | -66.3 | 160 | 0 | 0 | 0 | 122.8 | |||||
| 2197 | K | 18.1 | Very low | 22.4 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 93% | 0.926 | 67% | 0.67 | S | S | * | * | trans | -151.1 | 163.8 | 157.2 | -126.4 | 179.7 | -178.9 | -175.3 | 0 | 111.1 | ||||
| 2198 | E | 21.6 | Very low | 22.8 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | trans | -157.5 | 173 | -157.8 | -156.6 | -150.8 | -148.2 | 0 | 0 | 114.1 | ||||
| 2199 | K | 25.9 | Very low | 23.6 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | trans | 88.9 | 137.7 | 167.3 | -57.8 | -167.9 | 179.2 | 177.3 | 0 | 117 | N2435 | K2199-N2435 WeakPolarHBondContact O-CB 3.41Š| ||
| 2200 | R | 21 | Very low | 24.4 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 43% | 0.43 | 63% | 0.631 | S | S | . | * | cis | 115.8 | 56.3 | 4.6 | -44.2 | -148.6 | 110.1 | -177.5 | 4.8 | 127.3 | I2433 R2434 N2435 | R2200-I2433 PolarHBondContact NE-O 3.25Å; R2200-I2433 PolarHBondContact NH2-O 3.27Å; R2200-R2434 VanDerWaalsContact CA-C 3.47Å; R2200-R2434 VanDerWaalsContact CA-CB 3.46Å; R2200-R2434 VanDerWaalsContact CA-O 3.25Å; R2200-R2434 WeakPolarHBondContact CA-O 3.48Å; R2200-R2434 HydrophobicContact CB-CB 3.54Å; R2200-R2434 HydrophobicContact CB-CG 3.69Å; R2200-R2434 HydrophobicContact CG-CB 3.62Å; R2200-R2434 HydrophobicContact CG-CG 4.28Å; R2200-R2434 PolarHBondContact N-O 2.74Å; R2200-R2434 PolarHBondContact O-NE 2.81Å; R2200-R2434 PolarHBondContact O-NH2 3.03Å; R2200-N2435 VanDerWaalsContact C-CG 3.48Å; R2200-N2435 VanDerWaalsContact N-CG 3.35Å; R2200-N2435 PolarHBondContact N-ND2 3.2Å | ||
| 2201 | N | 24.9 | Very low | 25.1 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | trans | 161.3 | 107.6 | 140.2 | -96.8 | -19.6 | 0 | 0 | 0 | 120.1 | R2434 N2435 | N2201-R2434 HydrophobicContact CB-CG 4.18Å; N2201-R2434 PolarHBondContact ND2-NE 2.94Å; N2201-R2434 PolarHBondContact ND2-NH2 3.16Å; N2201-R2434 VanDerWaalsContact OD1-CD 3.23Å; N2201-R2434 WeakPolarHBondContact OD1-CD 3.29Å; N2201-R2434 WeakPolarHBondContact OD1-CG 3.01Å; N2201-R2434 PolarHBondContact OD1-NE 2.8Å; N2201-N2435 WeakPolarHBondContact CA-OD1 3.47Å; N2201-N2435 PolarHBondContact N-OD1 2.93Å; N2201-N2435 PolarHBondContact O-OD1 2.87Å; N2201-N2435 VanDerWaalsContact O-OD1 3.06Å | ||
| 2202 | K | 24 | Very low | 25.9 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | trans | 177.7 | 166.5 | 149.7 | -112.4 | 174.9 | -179.1 | -178.9 | 0 | 115.2 | ||||
| 2203 | L | 30.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | trans | -135.7 | 156.5 | 176.8 | -162.1 | 113.4 | 0 | 0 | 0 | 111.9 | L2221 | L2203-L2221 HydrophobicContact CD2-CD1 4.36Š| ||
| 2204 | F | 25.9 | Very low | 27.7 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 31% | 0.311 | 55% | 0.55 | S | S | . | . | trans | -164.2 | 147.4 | -178.9 | 47.9 | -91.7 | 0 | 0 | 0 | 111.8 | D2218 V2438 | F2204-D2218 VanDerWaalsContact CB-OD1 3.3Å; F2204-D2218 WeakPolarHBondContact CB-OD1 3.36Å; F2204-V2438 HydrophobicContact CE2-CG2 3.85Å; F2204-V2438 HydrophobicContact CZ-CG2 3.75Å | ||
| 2205 | M | 30.7 | Very low | 28.5 | Very low | 56 Ų | 56 | 110.9 Ų | 110.9 | 28% | 0.276 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.3 | 168.6 | 178.3 | -174.7 | -76 | 0 | 0 | 110.4 | R2216 L2217 | M2205-R2216 WeakPolarHBondContact O-CA 3.44Å; M2205-L2217 HydrophobicContact CB-CB 4.23Å; M2205-L2217 WeakPolarHBondContact CB-O 3.3Å; M2205-L2217 PolarHBondContact N-O 2.92Å; M2205-L2217 PolarHBondContact O-N 2.8Å; M2205-L2217 HydrophobicContact SD-CB 4.36Å; M2205-L2217 HydrophobicContact SD-CD2 4.09Å |
| 2206 | K | 31.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 106 Ų | 106 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 94.1 | -171.8 | -169.9 | -174 | -177.3 | -172.7 | 0 | 111.6 | I2214 | K2206-I2214 HydrophobicContact CD-CG2 4.21Å; K2206-I2214 HydrophobicContact CG-CG2 3.62Å |
| 2207 | L | 33.4 | Very low | 30.4 | Very low | 71 Ų | 71 | 100.1 Ų | 100.1 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.2 | 167.1 | -63.8 | 164.9 | 0 | 0 | 0 | 108.8 | F2209 I2214 W2215 | L2207-F2209 HydrophobicContact CB-CE2 4.23Å; L2207-I2214 VanDerWaalsContact O-CA 3.32Å; L2207-I2214 WeakPolarHBondContact O-CA 3.5Å; L2207-W2215 HydrophobicContact CB-CB 4.13Å; L2207-W2215 WeakPolarHBondContact CB-O 3.11Å; L2207-W2215 HydrophobicContact CD1-CB 4.24Å; L2207-W2215 PolarHBondContact N-O 2.79Å; L2207-W2215 PolarHBondContact O-N 2.82Å |
| 2208 | K | 29.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 92.1 Ų | 92.1 | 54% | 0.543 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 119.5 | 172.8 | -175.6 | -165.3 | 172.8 | -137.7 | 0 | 108.3 | I2214 | K2208-I2214 HydrophobicContact CB-CG1 4.36Å; K2208-I2214 HydrophobicContact CG-CG1 4.08Å |
| 2209 | F | 34.2 | Very low | 31.8 | Very low | 67 Ų | 67 | 86.4 Ų | 86.4 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | trans | -90.2 | 152.6 | 172.1 | -66 | -96.6 | 0 | 0 | 0 | 109.3 | L2207 N2211 G2212 A2213 W2215 L2278 | L2207-F2209 HydrophobicContact CB-CE2 4.23Å; F2209-N2211 WeakPolarHBondContact CB-OD1 3.46Å; F2209-N2211 PolarHBondContact O-N 3.03Å; F2209-G2212 WeakPolarHBondContact O-CA 3.5Å; F2209-G2212 PolarHBondContact O-N 3.33Å; F2209-A2213 HydrophobicContact CB-CB 4.45Å; F2209-A2213 PolarHBondContact N-O 3.35Å; F2209-W2215 AromaticContact CD2-CD1 3.74Å; F2209-W2215 HydrophobicContact CE2-CB 4.37Å; F2209-W2215 AromaticContact CE2-CD1 3.42Å; F2209-W2215 VanDerWaalsContact CE2-CD1 3.42Å; F2209-W2215 HydrophobicContact CE2-CG 4.11Å; F2209-L2278 HydrophobicContact CE1-CD2 4.44Å | ||
| 2210 | D | 35.9 | Very low | 32 | Very low | 131 Ų | 131 | 83.7 Ų | 83.7 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.4 | -173.8 | -122.6 | -8.6 | 0 | 0 | 0 | 113.5 | R619 G2212 | R619-D2210 PolarHBondContact NH1-O 3.04Å; R619-D2210 PolarHBondContact NH2-O 3.25Å; R619-D2210 IonicContact NH2-OD1 3.66Å; D2210-G2212 PolarHBondContact O-N 3.11Å; D2210-G2212 VanDerWaalsContact O-N 3.11Å |
| 2211 | N | 36.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 85.2 Ų | 85.2 | 57% | 0.572 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.4 | 164 | 68.2 | 6.4 | 0 | 0 | 0 | 113.9 | R619 F2209 A2213 | R619-N2211 PolarHBondContact NH1-O 2.84Å; F2209-N2211 WeakPolarHBondContact CB-OD1 3.46Å; F2209-N2211 PolarHBondContact O-N 3.03Å; N2211-A2213 WeakPolarHBondContact OD1-CB 3.48Å; N2211-A2213 PolarHBondContact OD1-N 3.16Å |
| 2212 | G | 35 | Very low | 33.1 | Very low | 35 Ų | 35 | 85.3 Ų | 85.3 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 90.4 | -6.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | F2209 D2210 I2214 | F2209-G2212 WeakPolarHBondContact O-CA 3.5Å; F2209-G2212 PolarHBondContact O-N 3.33Å; D2210-G2212 PolarHBondContact O-N 3.11Å; D2210-G2212 VanDerWaalsContact O-N 3.11Å; G2212-I2214 PolarHBondContact O-N 3.31Å |
| 2213 | A | 35 | Very low | 33.7 | Very low | 37 Ų | 37 | 82.1 Ų | 82.1 | 31% | 0.306 | 42% | 0.424 | S | S | . | . | trans | -63.7 | 132.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F2209 N2211 | F2209-A2213 HydrophobicContact CB-CB 4.45Å; F2209-A2213 PolarHBondContact N-O 3.35Å; N2211-A2213 WeakPolarHBondContact OD1-CB 3.48Å; N2211-A2213 PolarHBondContact OD1-N 3.16Å | ||
| 2214 | I | 36.5 | Very low | 34 | Very low | 53 Ų | 53 | 80 Ų | 80 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113 | -179.8 | -71.9 | 164.5 | 0 | 0 | 0 | 107.9 | K2206 L2207 K2208 G2212 | K2206-I2214 HydrophobicContact CD-CG2 4.21Å; K2206-I2214 HydrophobicContact CG-CG2 3.62Å; L2207-I2214 VanDerWaalsContact O-CA 3.32Å; L2207-I2214 WeakPolarHBondContact O-CA 3.5Å; K2208-I2214 HydrophobicContact CB-CG1 4.36Å; K2208-I2214 HydrophobicContact CG-CG1 4.08Å; G2212-I2214 PolarHBondContact O-N 3.31Å |
| 2215 | W | 34.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 82.5 Ų | 82.5 | 47% | 0.47 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.6 | 173.6 | -74.1 | 78.6 | 0 | 0 | 0 | 108.6 | L2207 F2209 | L2207-W2215 HydrophobicContact CB-CB 4.13Å; L2207-W2215 WeakPolarHBondContact CB-O 3.11Å; L2207-W2215 HydrophobicContact CD1-CB 4.24Å; L2207-W2215 PolarHBondContact N-O 2.79Å; L2207-W2215 PolarHBondContact O-N 2.82Å; F2209-W2215 AromaticContact CD2-CD1 3.74Å; F2209-W2215 HydrophobicContact CE2-CB 4.37Å; F2209-W2215 AromaticContact CE2-CD1 3.42Å; F2209-W2215 VanDerWaalsContact CE2-CD1 3.42Å; F2209-W2215 HydrophobicContact CE2-CG 4.11Å |
| 2216 | R | 38 | Very low | 34.1 | Very low | 81 Ų | 81 | 84.5 Ų | 84.5 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.7 | 179.8 | -169.4 | -178.5 | -175.9 | 133.6 | 7.9 | 109.1 | M2205 D2218 A2228 K2229 | M2205-R2216 WeakPolarHBondContact O-CA 3.44Å; R2216-D2218 WeakPolarHBondContact CD-OD2 3.43Å; R2216-D2218 IonicContact CZ-OD1 3.19Å; R2216-D2218 IonicContact CZ-OD2 3.37Å; R2216-D2218 IonicContact NE-OD1 3.88Å; R2216-D2218 PolarHBondContact NE-OD1 3.06Å; R2216-D2218 IonicContact NE-OD2 2.73Å; R2216-D2218 PolarHBondContact NE-OD2 3.1Å; R2216-D2218 IonicContact NH2-OD1 3.62Å; R2216-D2218 PolarHBondContact NH2-OD1 3.07Å; R2216-A2228 CarbonylContact O-C 3.55Å; R2216-A2228 WeakPolarHBondContact O-CA 3.4Å; R2216-K2229 VanDerWaalsContact CB-O 3.26Å; R2216-K2229 WeakPolarHBondContact CB-O 3.46Å; R2216-K2229 PolarHBondContact N-O 3.13Å; R2216-K2229 PolarHBondContact O-N 3.07Å |
| 2217 | L | 35.6 | Very low | 34.2 | Very low | 41 Ų | 41 | 81.3 Ų | 81.3 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 98.1 | 169.6 | -174 | 64.8 | 0 | 0 | 0 | 106.8 | M2205 I2219 A2228 | M2205-L2217 HydrophobicContact CB-CB 4.23Å; M2205-L2217 WeakPolarHBondContact CB-O 3.3Å; M2205-L2217 PolarHBondContact N-O 2.92Å; M2205-L2217 PolarHBondContact O-N 2.8Å; M2205-L2217 HydrophobicContact SD-CB 4.36Å; M2205-L2217 HydrophobicContact SD-CD2 4.09Å; L2217-I2219 HydrophobicContact CD2-CD1 4Å; L2217-I2219 HydrophobicContact CD2-CG1 4.19Å; L2217-I2219 HydrophobicContact CG-CD1 4.21Å; L2217-I2219 HydrophobicContact CG-CG1 3.86Å; L2217-I2219 PolarHBondContact O-N 2.84Å; L2217-A2228 HydrophobicContact CD1-CB 3.99Å |
| 2218 | D | 34.7 | Very low | 34.1 | Very low | 44 Ų | 44 | 78.8 Ų | 78.8 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 102.6 | 176.9 | -79.5 | -36.7 | 0 | 0 | 0 | 108.3 | F2204 R2216 T2227 | F2204-D2218 VanDerWaalsContact CB-OD1 3.3Å; F2204-D2218 WeakPolarHBondContact CB-OD1 3.36Å; R2216-D2218 WeakPolarHBondContact CD-OD2 3.43Å; R2216-D2218 IonicContact CZ-OD1 3.19Å; R2216-D2218 IonicContact CZ-OD2 3.37Å; R2216-D2218 IonicContact NE-OD1 3.88Å; R2216-D2218 PolarHBondContact NE-OD1 3.06Å; R2216-D2218 IonicContact NE-OD2 2.73Å; R2216-D2218 PolarHBondContact NE-OD2 3.1Å; R2216-D2218 IonicContact NH2-OD1 3.62Å; R2216-D2218 PolarHBondContact NH2-OD1 3.07Å; D2218-T2227 PolarHBondContact N-O 3.26Å |
| 2219 | I | 34.8 | Very low | 34.3 | Very low | 37 Ų | 37 | 77 Ų | 77 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 105.3 | 179.6 | -53.8 | 176.1 | 0 | 0 | 0 | 108.4 | L2217 L2221 W2226 | L2217-I2219 HydrophobicContact CD2-CD1 4Å; L2217-I2219 HydrophobicContact CD2-CG1 4.19Å; L2217-I2219 HydrophobicContact CG-CD1 4.21Å; L2217-I2219 HydrophobicContact CG-CG1 3.86Å; L2217-I2219 PolarHBondContact O-N 2.84Å; I2219-L2221 HydrophobicContact CG2-CD2 4.09Å; I2219-L2221 HydrophobicContact CG2-CG 4.3Å; I2219-L2221 PolarHBondContact O-N 3.19Å; I2219-W2226 HydrophobicContact CD1-CE3 4.33Å; I2219-W2226 HydrophobicContact CD1-CZ3 3.97Å; I2219-W2226 HydrophobicContact CG1-CE3 4.27Å; I2219-W2226 HydrophobicContact CG1-CZ3 4.39Å |
| 2220 | H | 30.8 | Very low | 34.4 | Very low | 89 Ų | 89 | 75 Ų | 75 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 84.8 | 177.7 | -124.4 | -82.5 | 0 | 0 | 0 | 110.1 | S2222 T2223 | H2220-S2222 PolarHBondContact O-N 2.89Å; H2220-T2223 PolarHBondContact O-N 3.44Å |
| 2221 | L | 35.1 | Very low | 34.4 | Very low | 145 Ų | 145 | 73.6 Ų | 73.6 | 76% | 0.759 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -20.6 | -172.8 | -72.5 | 167.7 | 0 | 0 | 0 | 115.5 | L2203 I2219 | L2203-L2221 HydrophobicContact CD2-CD1 4.36Å; I2219-L2221 HydrophobicContact CG2-CD2 4.09Å; I2219-L2221 HydrophobicContact CG2-CG 4.3Å; I2219-L2221 PolarHBondContact O-N 3.19Å |
| 2222 | S | 33.1 | Very low | 34.3 | Very low | 98 Ų | 98 | 72 Ų | 72 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.1 | 179 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | H2220 | H2220-S2222 PolarHBondContact O-N 2.89Š|
| 2223 | T | 36.4 | Very low | 34 | Very low | 97 Ų | 97 | 73.6 Ų | 73.6 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 17.9 | -165.9 | 51.8 | 0 | 0 | 0 | 0 | 115.5 | H2220 K2225 | H2220-T2223 PolarHBondContact O-N 3.44Å; T2223-K2225 PolarHBondContact O-N 3.29Å |
| 2224 | G | 37.5 | Very low | 33.5 | Very low | 69 Ų | 69 | 79.5 Ų | 79.5 | 71% | 0.711 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 14.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 2225 | K | 28.5 | Very low | 33 | Very low | 123 Ų | 123 | 80.7 Ų | 80.7 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.1 | 175.8 | -90.7 | -170.6 | 166.9 | -119 | 0 | 111.5 | T2223 E2239 | T2223-K2225 PolarHBondContact O-N 3.29Å; K2225-E2239 WeakPolarHBondContact CD-OE1 3.28Å; K2225-E2239 WeakPolarHBondContact CE-OE1 3.46Å; K2225-E2239 IonicContact NZ-OE1 2.76Å; K2225-E2239 PolarHBondContact NZ-OE1 2.95Å; K2225-E2239 IonicContact NZ-OE2 3.1Å; K2225-E2239 PolarHBondContact NZ-OE2 3.35Å |
| 2226 | W | 30.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 85.3 Ų | 85.3 | 38% | 0.375 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.3 | 175.9 | -57.1 | 80.8 | 0 | 0 | 0 | 109.8 | I2219 E2239 L2240 T2242 | I2219-W2226 HydrophobicContact CD1-CE3 4.33Å; I2219-W2226 HydrophobicContact CD1-CZ3 3.97Å; I2219-W2226 HydrophobicContact CG1-CE3 4.27Å; I2219-W2226 HydrophobicContact CG1-CZ3 4.39Å; W2226-E2239 WeakPolarHBondContact O-CA 3.43Å; W2226-L2240 HydrophobicContact CB-CB 4.4Å; W2226-L2240 PolarHBondContact O-N 3.39Å; W2226-T2242 PolarHBondContact NE1-OG1 2.95Å; W2226-T2242 VanDerWaalsContact NE1-OG1 3.16Å |
| 2227 | T | 33.1 | Very low | 32.2 | Very low | 34 Ų | 34 | 84.4 Ų | 84.4 | 21% | 0.209 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 113.7 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | D2218 E2239 | D2218-T2227 PolarHBondContact N-O 3.26Å; T2227-E2239 HydrophobicContact CG2-CB 4.4Å; T2227-E2239 HydrophobicContact CG2-CG 4.37Å |
| 2228 | A | 30.8 | Very low | 32 | Very low | 18 Ų | 18 | 86.3 Ų | 86.3 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 137.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R2216 L2217 S2237 V2238 | R2216-A2228 CarbonylContact O-C 3.55Å; R2216-A2228 WeakPolarHBondContact O-CA 3.4Å; L2217-A2228 HydrophobicContact CD1-CB 3.99Å; A2228-S2237 WeakPolarHBondContact O-CA 3.39Å; A2228-S2237 WeakPolarHBondContact O-CB 3.32Å; A2228-V2238 PolarHBondContact N-O 2.9Å |
| 2229 | K | 34.8 | Very low | 31.8 | Very low | 87 Ų | 87 | 88.6 Ų | 88.6 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136.3 | 174.6 | -79.6 | -177.4 | 177 | 179.8 | 0 | 110.7 | R2216 V2235 | R2216-K2229 VanDerWaalsContact CB-O 3.26Å; R2216-K2229 WeakPolarHBondContact CB-O 3.46Å; R2216-K2229 PolarHBondContact N-O 3.13Å; R2216-K2229 PolarHBondContact O-N 3.07Å; K2229-V2235 HydrophobicContact CG-CG1 4.09Å |
| 2230 | S | 36.6 | Very low | 31.5 | Very low | 27 Ų | 27 | 91.8 Ų | 91.8 | 19% | 0.189 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 147.2 | 154.7 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | A2232 | S2230-A2232 PolarHBondContact OG-N 2.88Å; S2230-A2232 PolarHBondContact OG-O 3.31Å |
| 2231 | T | 34.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 97 Ų | 97 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -122.5 | 8.3 | 168.4 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 2232 | A | 34.2 | Very low | 31.3 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -86.2 | 123.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | S2230 | S2230-A2232 PolarHBondContact OG-N 2.88Å; S2230-A2232 PolarHBondContact OG-O 3.31Å |
| 2233 | G | 28.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 98.1 Ų | 98.1 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -69.1 | 152.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 2234 | D | 24.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 98.5 Ų | 98.5 | 87% | 0.866 | 54% | 0.544 | S | S | * | . | S | Bend | cis | -97.6 | 153.5 | 2.9 | -89 | -44.6 | 0 | 0 | 0 | 115 | R2236 | D2234-R2236 PolarHBondContact O-N 3Š|
| 2235 | V | 25.8 | Very low | 30.2 | Very low | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | trans | -75.4 | 112 | -175.4 | -177.8 | 0 | 0 | 0 | 0 | 111 | K2229 | K2229-V2235 HydrophobicContact CG-CG1 4.09Š| ||
| 2236 | R | 28.5 | Very low | 30.1 | Very low | 222 Ų | 222 | 104 Ų | 104 | 84% | 0.838 | 55% | 0.551 | S | S | * | * | trans | -101.5 | 97.8 | 148.2 | -72.2 | -167.6 | 178.9 | -165.8 | 0.4 | 109 | D2234 | D2234-R2236 PolarHBondContact O-N 3Š| ||
| 2237 | S | 28.4 | Very low | 30 | Very low | 61 Ų | 61 | 105.7 Ų | 105.7 | 43% | 0.427 | 57% | 0.566 | S | S | . | * | trans | -90.3 | 120.4 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 111 | A2228 | A2228-S2237 WeakPolarHBondContact O-CA 3.39Å; A2228-S2237 WeakPolarHBondContact O-CB 3.32Å | ||
| 2238 | V | 31.6 | Very low | 29.8 | Very low | 82 Ų | 82 | 109.4 Ų | 109.4 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -91.7 | 117.9 | 171.4 | -173.7 | 0 | 0 | 0 | 0 | 108 | A2228 L2240 | A2228-V2238 PolarHBondContact N-O 2.9Å; V2238-L2240 HydrophobicContact CG1-CD2 3.89Å; V2238-L2240 HydrophobicContact CG1-CG 4.13Å | ||
| 2239 | E | 28.7 | Very low | 29.7 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.1 | 172 | -179 | 162.9 | -110.3 | 0 | 0 | 108.4 | K2225 W2226 T2227 | K2225-E2239 WeakPolarHBondContact CD-OE1 3.28Å; K2225-E2239 WeakPolarHBondContact CE-OE1 3.46Å; K2225-E2239 IonicContact NZ-OE1 2.76Å; K2225-E2239 PolarHBondContact NZ-OE1 2.95Å; K2225-E2239 IonicContact NZ-OE2 3.1Å; K2225-E2239 PolarHBondContact NZ-OE2 3.35Å; W2226-E2239 WeakPolarHBondContact O-CA 3.43Å; T2227-E2239 HydrophobicContact CG2-CB 4.4Å; T2227-E2239 HydrophobicContact CG2-CG 4.37Å |
| 2240 | L | 28.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 112.9 Ų | 112.9 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.6 | -176 | -70 | 172 | 0 | 0 | 0 | 109.9 | W2226 V2238 | W2226-L2240 HydrophobicContact CB-CB 4.4Å; W2226-L2240 PolarHBondContact O-N 3.39Å; V2238-L2240 HydrophobicContact CG1-CD2 3.89Å; V2238-L2240 HydrophobicContact CG1-CG 4.13Å |
| 2241 | K | 28.7 | Very low | 29.4 | Very low | 199 Ų | 199 | 116.9 Ų | 116.9 | 87% | 0.865 | 65% | 0.653 | S | S | * | * | trans | -84.5 | 127.5 | 174.3 | -66.1 | -177.5 | -179.6 | 179.6 | 0 | 109.9 | ||||
| 2242 | T | 33.9 | Very low | 29.2 | Very low | 88 Ų | 88 | 117.3 Ų | 117.3 | 54% | 0.54 | 65% | 0.646 | S | S | . | * | trans | -131.7 | 141.8 | 161.5 | 57.8 | 0 | 0 | 0 | 0 | 107.8 | W2226 | W2226-T2242 PolarHBondContact NE1-OG1 2.95Å; W2226-T2242 VanDerWaalsContact NE1-OG1 3.16Å | ||
| 2243 | E | 28.9 | Very low | 29.1 | Very low | 179 Ų | 179 | 119 Ų | 119 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | trans | -76.8 | 170.2 | -176.3 | -66.3 | -179.4 | 139.8 | 0 | 0 | 112.7 | ||||
| 2244 | T | 27.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -71.9 | 161.7 | -172.4 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 2245 | H | 27.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 116.5 Ų | 116.5 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | 73.8 | 54.1 | 167.2 | -36.7 | -66.1 | 0 | 0 | 0 | 117.8 | ||||
| 2246 | F | 25.2 | Very low | 30 | Very low | 141 Ų | 141 | 115.7 Ų | 115.7 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | trans | -85.9 | 108.8 | 155.4 | -79 | -83.1 | 0 | 0 | 0 | 110.4 | F2252 | F2246-F2252 HydrophobicContact CB-CZ 4.14Å; F2246-F2252 HydrophobicContact CD1-CE1 4.07Å; F2246-F2252 AromaticContact CD1-CZ 3.71Å; F2246-F2252 HydrophobicContact CD1-CZ 3.71Å; F2246-F2252 HydrophobicContact CE1-CE1 4.29Å; F2246-F2252 HydrophobicContact CE1-CZ 4.38Å; F2246-F2252 HydrophobicContact CG-CE1 4.44Å; F2246-F2252 AromaticContact CG-CZ 3.92Å; F2246-F2252 HydrophobicContact CG-CZ 3.92Å | ||
| 2247 | L | 30 | Very low | 30.3 | Very low | 134 Ų | 134 | 108.9 Ų | 108.9 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | trans | -72.7 | 153.2 | 176.7 | -71.8 | 160.7 | 0 | 0 | 0 | 110.6 | T2249 S2250 | L2247-T2249 PolarHBondContact O-N 2.91Å; L2247-S2250 WeakPolarHBondContact O-CB 3.34Å; L2247-S2250 PolarHBondContact O-N 3.49Å; L2247-S2250 PolarHBondContact O-OG 3.07Å | ||
| 2248 | A | 28.5 | Very low | 30.6 | Very low | 112 Ų | 112 | 109.9 Ų | 109.9 | 93% | 0.926 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 0.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2249 | T | 28.8 | Very low | 30.6 | Very low | 133 Ų | 133 | 111.2 Ų | 111.2 | 82% | 0.816 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 9.8 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | L2247 | L2247-T2249 PolarHBondContact O-N 2.91Š|
| 2250 | S | 32.3 | Very low | 30.9 | Very low | 45 Ų | 45 | 118 Ų | 118 | 32% | 0.315 | 63% | 0.627 | S | S | . | * | trans | -85 | 117.2 | -173.6 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | L2247 F2252 | L2247-S2250 WeakPolarHBondContact O-CB 3.34Å; L2247-S2250 PolarHBondContact O-N 3.49Å; L2247-S2250 PolarHBondContact O-OG 3.07Å; S2250-F2252 WeakPolarHBondContact O-CD2 3.37Å; S2250-F2252 WeakPolarHBondContact O-CE2 3.39Å | ||
| 2251 | T | 31.6 | Very low | 31.3 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | trans | -77.5 | 135.2 | 174 | -23.1 | 0 | 0 | 0 | 0 | 111.7 | N2268 | T2251-N2268 PolarHBondContact O-ND2 2.97Å; T2251-N2268 PolarHBondContact O-OD1 2.83Å | ||
| 2252 | F | 31.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 48% | 0.478 | 59% | 0.588 | S | S | . | * | trans | -118.9 | 93 | -178.4 | -69.3 | -84.1 | 0 | 0 | 0 | 112.2 | F2246 S2250 L2254 L2267 | F2246-F2252 HydrophobicContact CB-CZ 4.14Å; F2246-F2252 HydrophobicContact CD1-CE1 4.07Å; F2246-F2252 AromaticContact CD1-CZ 3.71Å; F2246-F2252 HydrophobicContact CD1-CZ 3.71Å; F2246-F2252 HydrophobicContact CE1-CE1 4.29Å; F2246-F2252 HydrophobicContact CE1-CZ 4.38Å; F2246-F2252 HydrophobicContact CG-CE1 4.44Å; F2246-F2252 AromaticContact CG-CZ 3.92Å; F2246-F2252 HydrophobicContact CG-CZ 3.92Å; S2250-F2252 WeakPolarHBondContact O-CD2 3.37Å; S2250-F2252 WeakPolarHBondContact O-CE2 3.39Å; F2252-L2254 PolarHBondContact O-N 3.2Å; F2252-L2254 VanDerWaalsContact O-N 3.12Å; F2252-L2267 HydrophobicContact CD1-CD1 4.13Å; F2252-L2267 HydrophobicContact CD1-CD2 4.47Å | ||
| 2253 | N | 30.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 103.2 Ų | 103.2 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | trans | -77.8 | 87.8 | 168.8 | -79.5 | -41.6 | 0 | 0 | 0 | 110.4 | L2267 N2268 | N2253-L2267 CarbonylContact O-C 3.59Å; N2253-L2267 WeakPolarHBondContact O-CA 3.37Å; N2253-N2268 WeakPolarHBondContact CB-OD1 3.3Å; N2253-N2268 PolarHBondContact N-OD1 3.16Å; N2253-N2268 PolarHBondContact O-N 3.02Å | ||
| 2254 | L | 30.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 96.4 Ų | 96.4 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.5 | 165 | -163.1 | 84.2 | 0 | 0 | 0 | 109.4 | F2252 I2265 Y2266 L2267 | F2252-L2254 PolarHBondContact O-N 3.2Å; F2252-L2254 VanDerWaalsContact O-N 3.12Å; L2254-I2265 HydrophobicContact CD1-CG2 3.58Å; L2254-I2265 HydrophobicContact CD2-CG2 4.15Å; L2254-I2265 HydrophobicContact CG-CG2 3.84Å; L2254-Y2266 CarbonylContact C-O 3.5Å; L2254-Y2266 WeakPolarHBondContact CA-O 3.3Å; L2254-Y2266 WeakPolarHBondContact CD1-O 3.45Å; L2254-L2267 HydrophobicContact CB-CD1 4.28Å; L2254-L2267 HydrophobicContact CD1-CB 4.19Å; L2254-L2267 HydrophobicContact CD1-CD1 3.53Å; L2254-L2267 HydrophobicContact CD1-CG 4.49Å |
| 2255 | T | 33.8 | Very low | 33.2 | Very low | 75 Ų | 75 | 93.3 Ų | 93.3 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116 | 177.4 | -33.9 | 0 | 0 | 0 | 0 | 109.2 | Y2266 | T2255-Y2266 PolarHBondContact N-O 2.89Å; T2255-Y2266 PolarHBondContact O-N 3.05Å |
| 2256 | A | 34 | Very low | 33.8 | Very low | 61 Ų | 61 | 88.1 Ų | 88.1 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q2264 | A2256-Q2264 CarbonylContact C-O 3.5Å; A2256-Q2264 WeakPolarHBondContact CA-O 3.49Å |
| 2257 | N | 35.9 | Very low | 34.5 | Very low | 78 Ų | 78 | 84.3 Ų | 84.3 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.7 | 172.3 | -165 | 18.4 | 0 | 0 | 0 | 108.4 | A2263 Q2264 Y2266 | N2257-A2263 WeakPolarHBondContact O-CA 3.37Å; N2257-Q2264 PolarHBondContact N-O 3.26Å; N2257-Q2264 PolarHBondContact O-N 2.88Å; N2257-Y2266 HydrophobicContact CB-CE2 4.4Å |
| 2258 | V | 34.1 | Very low | 35.1 | Very low | 83 Ų | 83 | 82.1 Ų | 82.1 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 98.3 | -174 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | V2262 A2263 L2278 | V2258-V2262 WeakPolarHBondContact CA-O 3.49Å; V2258-A2263 HydrophobicContact CG2-CB 4.25Å; V2258-L2278 HydrophobicContact CG1-CD1 3.98Å; V2258-L2278 HydrophobicContact CG2-CD1 4.32Å |
| 2259 | E | 32.5 | Very low | 36 | Very low | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.8 | 175.1 | -75.4 | -172.3 | 124.7 | 0 | 0 | 109.7 | G2261 V2262 | E2259-G2261 PolarHBondContact O-N 2.72Å; E2259-V2262 PolarHBondContact N-O 2.93Å; E2259-V2262 VanDerWaalsContact N-O 3.14Å; E2259-V2262 PolarHBondContact O-N 3.24Å |
| 2260 | Y | 34.8 | Very low | 36.7 | Very low | 233 Ų | 233 | 81.1 Ų | 81.1 | 91% | 0.914 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 38 | 167.9 | -64.2 | -78.7 | 0 | 0 | 0 | 116.1 | ||
| 2261 | G | 35.8 | Very low | 37.3 | Very low | 30 Ų | 30 | 83.2 Ų | 83.2 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 39 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E2259 P2277 L2278 | E2259-G2261 PolarHBondContact O-N 2.72Å; G2261-P2277 CarbonylContact O-C 3.58Å; G2261-P2277 WeakPolarHBondContact O-CA 3.33Å; G2261-L2278 CarbonylContact C-O 3.6Å; G2261-L2278 VanDerWaalsContact CA-O 3.23Å; G2261-L2278 WeakPolarHBondContact CA-O 3.42Å; G2261-L2278 PolarHBondContact O-N 3.32Å |
| 2262 | V | 39 | Very low | 37.9 | Very low | 45 Ų | 45 | 82.1 Ų | 82.1 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.2 | 171 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | V2258 E2259 R2275 F2276 | V2258-V2262 WeakPolarHBondContact CA-O 3.49Å; E2259-V2262 PolarHBondContact N-O 2.93Å; E2259-V2262 VanDerWaalsContact N-O 3.14Å; E2259-V2262 PolarHBondContact O-N 3.24Å; V2262-R2275 HydrophobicContact CG1-CB 3.66Å; V2262-R2275 HydrophobicContact CG1-CG 3.79Å; V2262-F2276 WeakPolarHBondContact CA-O 3.47Å |
| 2263 | A | 35.7 | Very low | 38.1 | Very low | 6 Ų | 6 | 78.3 Ų | 78.3 | 5% | 0.05 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2257 V2258 R2275 F2276 L2278 | N2257-A2263 WeakPolarHBondContact O-CA 3.37Å; V2258-A2263 HydrophobicContact CG2-CB 4.25Å; A2263-R2275 VanDerWaalsContact O-CA 3.31Å; A2263-R2275 WeakPolarHBondContact O-CA 3.48Å; A2263-F2276 HydrophobicContact CB-CD2 4.36Å; A2263-F2276 HydrophobicContact CB-CE2 3.89Å; A2263-F2276 HydrophobicContact CB-CZ 4.04Å; A2263-F2276 PolarHBondContact N-O 3.07Å; A2263-F2276 PolarHBondContact O-N 2.6Å; A2263-F2276 VanDerWaalsContact O-N 3.11Å; A2263-L2278 HydrophobicContact CB-CD1 3.92Å; A2263-L2278 HydrophobicContact CB-CG 4.17Å |
| 2264 | Q | 44.1 | Very low | 38.8 | Very low | 36 Ų | 36 | 78.4 Ų | 78.4 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.4 | 158.8 | -69.1 | 178.7 | -25.9 | 0 | 0 | 108.6 | A2256 N2257 Y2266 R2275 | A2256-Q2264 CarbonylContact C-O 3.5Å; A2256-Q2264 WeakPolarHBondContact CA-O 3.49Å; N2257-Q2264 PolarHBondContact N-O 3.26Å; N2257-Q2264 PolarHBondContact O-N 2.88Å; Q2264-Y2266 HydrophobicContact CB-CE2 3.86Å; Q2264-Y2266 PolarHBondContact OE1-OH 2.92Å; Q2264-Y2266 VanDerWaalsContact OE1-OH 3.14Å; Q2264-R2275 HydrophobicContact CG-CG 3.62Å |
| 2265 | I | 39.8 | Very low | 39.1 | Very low | 40 Ų | 40 | 81.9 Ų | 81.9 | 21% | 0.205 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | -177.9 | -52.9 | -179.6 | 0 | 0 | 0 | 111 | L2254 V2272 A2273 F2276 | L2254-I2265 HydrophobicContact CD1-CG2 3.58Å; L2254-I2265 HydrophobicContact CD2-CG2 4.15Å; L2254-I2265 HydrophobicContact CG-CG2 3.84Å; I2265-V2272 HydrophobicContact CG2-CG2 4.11Å; I2265-V2272 PolarHBondContact O-N 3.25Å; I2265-A2273 HydrophobicContact CB-CB 3.96Å; I2265-A2273 HydrophobicContact CD1-CB 4.43Å; I2265-A2273 HydrophobicContact CG1-CB 4.3Å; I2265-A2273 PolarHBondContact N-O 3.12Å; I2265-A2273 VanDerWaalsContact N-O 3.1Å; I2265-A2273 PolarHBondContact O-N 2.91Å; I2265-F2276 HydrophobicContact CD1-CE1 4.24Å; I2265-F2276 HydrophobicContact CD1-CZ 3.97Å |
| 2266 | Y | 41.7 | Very low | 39.3 | Very low | 57 Ų | 57 | 82.5 Ų | 82.5 | 22% | 0.224 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.2 | 176.1 | -57.5 | -106.5 | 0 | 0 | 0 | 109.6 | L2254 T2255 N2257 Q2264 K2270 Q2271 | L2254-Y2266 CarbonylContact C-O 3.5Å; L2254-Y2266 WeakPolarHBondContact CA-O 3.3Å; L2254-Y2266 WeakPolarHBondContact CD1-O 3.45Å; T2255-Y2266 PolarHBondContact N-O 2.89Å; T2255-Y2266 PolarHBondContact O-N 3.05Å; N2257-Y2266 HydrophobicContact CB-CE2 4.4Å; Q2264-Y2266 HydrophobicContact CB-CE2 3.86Å; Q2264-Y2266 PolarHBondContact OE1-OH 2.92Å; Q2264-Y2266 VanDerWaalsContact OE1-OH 3.14Å; Y2266-K2270 CarbonylContact C-O 3.6Å; Y2266-K2270 WeakPolarHBondContact CA-O 3.31Å; Y2266-Q2271 HydrophobicContact CD1-CB 3.7Å; Y2266-Q2271 HydrophobicContact CD1-CG 4.21Å; Y2266-Q2271 HydrophobicContact CE1-CB 3.59Å; Y2266-Q2271 HydrophobicContact CE1-CG 3.92Å; Y2266-Q2271 HydrophobicContact CE2-CG 4.46Å; Y2266-Q2271 HydrophobicContact CG-CB 4.42Å |
| 2267 | L | 38.6 | Very low | 39.2 | Very low | 61 Ų | 61 | 84.6 Ų | 84.6 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.8 | 174.8 | -173.6 | 78.5 | 0 | 0 | 0 | 108.5 | F2252 N2253 L2254 G2269 K2270 V2272 | F2252-L2267 HydrophobicContact CD1-CD1 4.13Å; F2252-L2267 HydrophobicContact CD1-CD2 4.47Å; N2253-L2267 CarbonylContact O-C 3.59Å; N2253-L2267 WeakPolarHBondContact O-CA 3.37Å; L2254-L2267 HydrophobicContact CB-CD1 4.28Å; L2254-L2267 HydrophobicContact CD1-CB 4.19Å; L2254-L2267 HydrophobicContact CD1-CD1 3.53Å; L2254-L2267 HydrophobicContact CD1-CG 4.49Å; L2267-G2269 PolarHBondContact O-N 3.45Å; L2267-K2270 PolarHBondContact N-O 3.46Å; L2267-K2270 PolarHBondContact O-N 3.27Å; L2267-V2272 HydrophobicContact CB-CG1 4.02Å; L2267-V2272 HydrophobicContact CB-CG2 3.89Å |
| 2268 | N | 43.7 | Very low | 39.1 | Very low | 88 Ų | 88 | 82.7 Ų | 82.7 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 45.2 | -171.9 | -73.4 | -14.8 | 0 | 0 | 0 | 112 | T2251 N2253 K2270 | T2251-N2268 PolarHBondContact O-ND2 2.97Å; T2251-N2268 PolarHBondContact O-OD1 2.83Å; N2253-N2268 WeakPolarHBondContact CB-OD1 3.3Å; N2253-N2268 PolarHBondContact N-OD1 3.16Å; N2253-N2268 PolarHBondContact O-N 3.02Å; N2268-K2270 VanDerWaalsContact C-N 3.26Å; N2268-K2270 PolarHBondContact O-N 2.85Å |
| 2269 | G | 47.1 | Very low | 38.9 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -15 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L2267 | L2267-G2269 PolarHBondContact O-N 3.45Š|
| 2270 | K | 42.5 | Very low | 38.6 | Very low | 165 Ų | 165 | 82.2 Ų | 82.2 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.7 | 175.7 | -75.4 | -172 | 174.8 | -177.9 | 0 | 111.3 | Y2266 L2267 N2268 V2272 | Y2266-K2270 CarbonylContact C-O 3.6Å; Y2266-K2270 WeakPolarHBondContact CA-O 3.31Å; L2267-K2270 PolarHBondContact N-O 3.46Å; L2267-K2270 PolarHBondContact O-N 3.27Å; N2268-K2270 VanDerWaalsContact C-N 3.26Å; N2268-K2270 PolarHBondContact O-N 2.85Å; K2270-V2272 PolarHBondContact O-N 2.92Å |
| 2271 | Q | 45.3 | Very low | 38.3 | Very low | 89 Ų | 89 | 79.9 Ų | 79.9 | 42% | 0.416 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 125.8 | 174 | -164 | 175.1 | 0.8 | 0 | 0 | 110.4 | Y2266 A2273 | Y2266-Q2271 HydrophobicContact CD1-CB 3.7Å; Y2266-Q2271 HydrophobicContact CD1-CG 4.21Å; Y2266-Q2271 HydrophobicContact CE1-CB 3.59Å; Y2266-Q2271 HydrophobicContact CE1-CG 3.92Å; Y2266-Q2271 HydrophobicContact CE2-CG 4.46Å; Y2266-Q2271 HydrophobicContact CG-CB 4.42Å; Q2271-A2273 PolarHBondContact NE2-O 3.02Å |
| 2272 | V | 43.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 85.8 Ų | 85.8 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -16.6 | -179.9 | -71.5 | 0 | 0 | 0 | 0 | 113.4 | I2265 L2267 K2270 | I2265-V2272 HydrophobicContact CG2-CG2 4.11Å; I2265-V2272 PolarHBondContact O-N 3.25Å; L2267-V2272 HydrophobicContact CB-CG1 4.02Å; L2267-V2272 HydrophobicContact CB-CG2 3.89Å; K2270-V2272 PolarHBondContact O-N 2.92Å |
| 2273 | A | 36.9 | Very low | 37.1 | Very low | 29 Ų | 29 | 88.3 Ų | 88.3 | 24% | 0.24 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112 | I2265 Q2271 F2276 | I2265-A2273 HydrophobicContact CB-CB 3.96Å; I2265-A2273 HydrophobicContact CD1-CB 4.43Å; I2265-A2273 HydrophobicContact CG1-CB 4.3Å; I2265-A2273 PolarHBondContact N-O 3.12Å; I2265-A2273 VanDerWaalsContact N-O 3.1Å; I2265-A2273 PolarHBondContact O-N 2.91Å; Q2271-A2273 PolarHBondContact NE2-O 3.02Å; A2273-F2276 HydrophobicContact CB-CE1 4.27Å |
| 2274 | T | 46.2 | Very low | 36.6 | Very low | 110 Ų | 110 | 95.8 Ų | 95.8 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 159.3 | 173.3 | 40.1 | 0 | 0 | 0 | 0 | 111.7 | F2276 | T2274-F2276 WeakPolarHBondContact O-CD1 3.25Å; T2274-F2276 PolarHBondContact O-N 2.75Å |
| 2275 | R | 36.6 | Very low | 35.7 | Very low | 175 Ų | 175 | 97.9 Ų | 97.9 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -38.7 | 125.4 | -174 | -72.9 | 178.6 | 169 | 163.4 | -6.7 | 114.4 | V2262 A2263 Q2264 | V2262-R2275 HydrophobicContact CG1-CB 3.66Å; V2262-R2275 HydrophobicContact CG1-CG 3.79Å; A2263-R2275 VanDerWaalsContact O-CA 3.31Å; A2263-R2275 WeakPolarHBondContact O-CA 3.48Å; Q2264-R2275 HydrophobicContact CG-CG 3.62Å |
| 2276 | F | 36.6 | Very low | 35.1 | Very low | 89 Ų | 89 | 100 Ų | 100 | 39% | 0.39 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.5 | 161.5 | 53.5 | -93.7 | 0 | 0 | 0 | 111.7 | V2262 A2263 I2265 A2273 T2274 L2278 | V2262-F2276 WeakPolarHBondContact CA-O 3.47Å; A2263-F2276 HydrophobicContact CB-CD2 4.36Å; A2263-F2276 HydrophobicContact CB-CE2 3.89Å; A2263-F2276 HydrophobicContact CB-CZ 4.04Å; A2263-F2276 PolarHBondContact N-O 3.07Å; A2263-F2276 PolarHBondContact O-N 2.6Å; A2263-F2276 VanDerWaalsContact O-N 3.11Å; I2265-F2276 HydrophobicContact CD1-CE1 4.24Å; I2265-F2276 HydrophobicContact CD1-CZ 3.97Å; A2273-F2276 HydrophobicContact CB-CE1 4.27Å; T2274-F2276 WeakPolarHBondContact O-CD1 3.25Å; T2274-F2276 PolarHBondContact O-N 2.75Å; F2276-L2278 HydrophobicContact CE2-CD2 4.38Å |
| 2277 | P | 33.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 101.5 Ų | 101.5 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 134 | -175.4 | 28.1 | -33.7 | 0 | 0 | 0 | 113.1 | G2261 | G2261-P2277 CarbonylContact O-C 3.58Å; G2261-P2277 WeakPolarHBondContact O-CA 3.33Å |
| 2278 | L | 34 | Very low | 33.7 | Very low | 38 Ų | 38 | 103.9 Ų | 103.9 | 20% | 0.199 | 58% | 0.584 | C | S | . | * | trans | -102.2 | 110.8 | 169.8 | -68.9 | 178.7 | 0 | 0 | 0 | 109.5 | F2209 V2258 G2261 A2263 F2276 G2280 | F2209-L2278 HydrophobicContact CE1-CD2 4.44Å; V2258-L2278 HydrophobicContact CG1-CD1 3.98Å; V2258-L2278 HydrophobicContact CG2-CD1 4.32Å; G2261-L2278 CarbonylContact C-O 3.6Å; G2261-L2278 VanDerWaalsContact CA-O 3.23Å; G2261-L2278 WeakPolarHBondContact CA-O 3.42Å; G2261-L2278 PolarHBondContact O-N 3.32Å; A2263-L2278 HydrophobicContact CB-CD1 3.92Å; A2263-L2278 HydrophobicContact CB-CG 4.17Å; F2276-L2278 HydrophobicContact CE2-CD2 4.38Å; L2278-G2280 PolarHBondContact O-N 2.83Å | ||
| 2279 | P | 28.4 | Very low | 32.7 | Very low | 113 Ų | 113 | 103 Ų | 103 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | trans | -76.4 | 94.7 | 176.8 | 30.7 | -34.2 | 0 | 0 | 0 | 111.8 | ||||
| 2280 | G | 27.1 | Very low | 31.8 | Very low | 70 Ų | 70 | 101.9 Ų | 101.9 | 72% | 0.722 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 79.4 | 123.4 | 159 | 0 | 0 | 0 | 0 | 0 | 117 | L2278 | L2278-G2280 PolarHBondContact O-N 2.83Š|
| 2281 | E | 28.1 | Very low | 31 | Very low | 183 Ų | 183 | 100.5 Ų | 100.5 | 86% | 0.855 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 30.5 | 110.1 | 163.7 | -63.1 | -163.4 | 135.2 | 0 | 0 | 120.5 | ||
| 2282 | I | 25.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 100.5 Ų | 100.5 | 80% | 0.795 | 58% | 0.582 | S | S | * | * | trans | 76.1 | 124.2 | 149.8 | -55 | 174.7 | 0 | 0 | 0 | 116.9 | ||||
| 2283 | V | 25.1 | Very low | 29.7 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | trans | -103.3 | 116.6 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 2284 | E | 24 | Very low | 29.4 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | trans | -82.5 | 124.9 | 171.6 | -71.4 | -146.1 | 121.8 | 0 | 0 | 112.2 | ||||
| 2285 | A | 24.7 | Very low | 28.7 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | trans | 40.6 | 98 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119 | T2287 | A2285-T2287 PolarHBondContact O-N 2.87Š| ||
| 2286 | T | 27.7 | Very low | 28.5 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | trans | -68.9 | 116.3 | 156.6 | -47.3 | 0 | 0 | 0 | 0 | 109.9 | F2288 | T2286-F2288 HydrophobicContact CG2-CD2 4.24Å; T2286-F2288 HydrophobicContact CG2-CE2 3.59Å; T2286-F2288 HydrophobicContact CG2-CZ 4.03Å | ||
| 2287 | T | 26.4 | Very low | 28.2 | Very low | 88 Ų | 88 | 102 Ų | 102 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | trans | -96.7 | 131.3 | 179 | -21.3 | 0 | 0 | 0 | 0 | 111.2 | A2285 | A2285-T2287 PolarHBondContact O-N 2.87Š| ||
| 2288 | F | 24.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 100.8 Ų | 100.8 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.9 | 175.4 | -70.8 | -94.4 | 0 | 0 | 0 | 110.2 | T2286 A2463 D2464 | T2286-F2288 HydrophobicContact CG2-CD2 4.24Å; T2286-F2288 HydrophobicContact CG2-CE2 3.59Å; T2286-F2288 HydrophobicContact CG2-CZ 4.03Å; F2288-A2463 WeakPolarHBondContact O-CA 3.42Å; F2288-D2464 PolarHBondContact O-N 2.76Å |
| 2289 | G | 22.3 | Very low | 27.9 | Very low | 69 Ų | 69 | 103.5 Ų | 103.5 | 71% | 0.711 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 2290 | G | 28.9 | Very low | 27.8 | Very low | 36 Ų | 36 | 99.2 Ų | 99.2 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | S | Bend | trans | 126 | 151.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D2464 G2465 | G2290-D2464 PolarHBondContact N-O 3.01Å; G2290-G2465 WeakPolarHBondContact O-CA 3.47Å |
| 2291 | E | 25.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | trans | -62.8 | 140.2 | -176.5 | -71.6 | 143.6 | 171.2 | 0 | 0 | 114.5 | T2428 | E2291-T2428 HydrophobicContact CG-CG2 4.44Å; E2291-T2428 VanDerWaalsContact CG-OG1 3.31Å; E2291-T2428 WeakPolarHBondContact CG-OG1 3.38Å | ||
| 2292 | I | 28.9 | Very low | 27.4 | Very low | 89 Ų | 89 | 94.3 Ų | 94.3 | 46% | 0.456 | 54% | 0.536 | S | S | . | . | trans | -151.1 | 107.2 | 176.6 | -55.7 | -179.2 | 0 | 0 | 0 | 110.9 | K2294 D2466 L2467 | I2292-K2294 PolarHBondContact O-N 2.85Å; I2292-K2294 VanDerWaalsContact O-N 3.13Å; I2292-D2466 CarbonylContact C-O 3.52Å; I2292-D2466 PolarHBondContact N-O 3.43Å; I2292-D2466 CarbonylContact O-C 3.55Å; I2292-D2466 VanDerWaalsContact O-C 3.3Å; I2292-L2467 HydrophobicContact CB-CD1 4Å; I2292-L2467 HydrophobicContact CG2-CD1 4.26Å; I2292-L2467 WeakPolarHBondContact O-CA 3.37Å; I2292-L2467 WeakPolarHBondContact O-CD1 3.42Å; I2292-L2467 WeakPolarHBondContact O-CG 3.39Å; I2292-L2467 PolarHBondContact O-N 2.6Å; I2292-L2467 VanDerWaalsContact O-N 3.15Å | ||
| 2293 | E | 34.4 | Very low | 27.4 | Very low | 150 Ų | 150 | 90.4 Ų | 90.4 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | trans | -74.9 | 1.3 | -159 | -60.6 | 176 | 114.4 | 0 | 0 | 120.3 | D2466 L2468 | E2293-D2466 WeakPolarHBondContact CA-O 3.42Å; E2293-D2466 PolarHBondContact N-O 2.8Å; E2293-L2468 HydrophobicContact CB-CD1 4.19Å; E2293-L2468 HydrophobicContact CG-CD1 4.16Å; E2293-L2468 WeakPolarHBondContact O-CA 3.12Å; E2293-L2468 VanDerWaalsContact O-CB 3.31Å; E2293-L2468 WeakPolarHBondContact O-CB 3.16Å | ||
| 2294 | K | 30.5 | Very low | 27.3 | Very low | 145 Ų | 145 | 88.9 Ų | 88.9 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | trans | -169 | 162.5 | 177.3 | -133.9 | 168.7 | -174.7 | 178.4 | 0 | 119.2 | I2292 L2467 S2469 | I2292-K2294 PolarHBondContact O-N 2.85Å; I2292-K2294 VanDerWaalsContact O-N 3.13Å; K2294-L2467 VanDerWaalsContact C-CD2 3.44Å; K2294-S2469 VanDerWaalsContact CE-OG 3.3Å; K2294-S2469 WeakPolarHBondContact CE-OG 3.38Å | ||
| 2295 | C | 30.9 | Very low | 27.1 | Very low | 47 Ų | 47 | 83.8 Ų | 83.8 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | trans | -159.3 | 162.3 | 163.1 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | Q2424 L2467 | C2295-Q2424 HydrophobicContact CB-CB 3.95Å; C2295-Q2424 HydrophobicContact CB-CG 3.98Å; C2295-Q2424 WeakPolarHBondContact O-CB 3.45Å; C2295-Q2424 PolarHBondContact O-OE1 3.16Å; C2295-L2467 HydrophobicContact CB-CD2 3.52Å | ||
| 2296 | E | 31.7 | Very low | 26.8 | Very low | 144 Ų | 144 | 84.5 Ų | 84.5 | 67% | 0.673 | 48% | 0.477 | S | S | * | . | trans | -148.2 | 142.8 | 179.1 | -163.6 | 175.8 | 179.5 | 0 | 0 | 112.7 | Q2424 | E2296-Q2424 VanDerWaalsContact CA-OE1 3.29Š| ||
| 2297 | I | 30.1 | Very low | 26.4 | Very low | 39 Ų | 39 | 87.7 Ų | 87.7 | 20% | 0.2 | 49% | 0.49 | C | S | . | . | trans | -143.4 | 127.6 | -179.5 | -56 | 176.7 | 0 | 0 | 0 | 112 | I2457 V2472 | I2297-I2457 HydrophobicContact CD1-CG2 4.14Å; I2297-V2472 HydrophobicContact CB-CG2 4.45Å; I2297-V2472 WeakPolarHBondContact O-CA 3.28Å | ||
| 2298 | S | 33.7 | Very low | 26.2 | Very low | 78 Ų | 78 | 91.8 Ų | 91.8 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | trans | -95.6 | -51.6 | -165.2 | 63.4 | 0 | 0 | 0 | 0 | 117.9 | R2473 | S2298-R2473 PolarHBondContact O-N 2.8Š| ||
| 2299 | T | 27.1 | Very low | 25.9 | Very low | 96 Ų | 96 | 89.8 Ų | 89.8 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | B | Isolated β-bridge | trans | -138.1 | 138 | -157.2 | -42.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 2300 | V | 26.2 | Very low | 25.7 | Very low | 23 Ų | 23 | 98.9 Ų | 98.9 | 14% | 0.139 | 53% | 0.532 | C | S | . | . | trans | -145.6 | 77.3 | -159.8 | 179.5 | 0 | 0 | 0 | 0 | 112.9 | K2456 I2457 V2472 T2474 V2475 | V2300-K2456 VanDerWaalsContact C-CE 3.42Å; V2300-K2456 HydrophobicContact CG1-CD 3.37Å; V2300-K2456 HydrophobicContact CG1-CG 3.79Å; V2300-K2456 WeakPolarHBondContact O-CE 3.42Å; V2300-K2456 PolarHBondContact O-NZ 2.85Å; V2300-I2457 HydrophobicContact CG2-CD1 4.15Å; V2300-V2472 HydrophobicContact CG2-CG1 3.59Å; V2300-T2474 PolarHBondContact N-O 2.78Å; V2300-V2475 HydrophobicContact CB-CG2 4.32Å; V2300-V2475 HydrophobicContact CG1-CG2 4.2Å; V2300-V2475 WeakPolarHBondContact O-CA 3.4Å; V2300-V2475 WeakPolarHBondContact O-CG2 3.49Å | ||
| 2301 | S | 25.5 | Very low | 25.3 | Very low | 86 Ų | 86 | 108.4 Ų | 108.4 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | trans | -92.8 | 145.8 | 179 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | K2456 | S2301-K2456 WeakPolarHBondContact O-CE 3.23Š| ||
| 2302 | L | 22.7 | Very low | 25 | Very low | 63 Ų | 63 | 111.9 Ų | 111.9 | 33% | 0.33 | 57% | 0.566 | S | S | . | * | trans | -136.1 | 148 | 175.8 | -112.2 | 170.6 | 0 | 0 | 0 | 109 | L2453 K2456 Q2476 W2477 | L2302-L2453 HydrophobicContact CD2-CB 4.15Å; L2302-K2456 HydrophobicContact CD1-CD 3.72Å; L2302-K2456 HydrophobicContact CG-CD 3.79Å; L2302-K2456 VanDerWaalsContact CG-CE 3.47Å; L2302-K2456 HydrophobicContact CG-CG 4.47Å; L2302-Q2476 PolarHBondContact N-O 2.91Å; L2302-W2477 WeakPolarHBondContact O-CA 3.34Å; L2302-W2477 VanDerWaalsContact O-CD1 3.27Å | ||
| 2303 | N | 25 | Very low | 24.6 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 39% | 0.39 | 58% | 0.582 | S | S | . | * | trans | -119.8 | 171.6 | 175.3 | -58.3 | -31.9 | 0 | 0 | 0 | 111.8 | L2453 | N2303-L2453 HydrophobicContact CB-CD1 3.83Å; N2303-L2453 HydrophobicContact CB-CD2 4.14Å; N2303-L2453 WeakPolarHBondContact O-CD1 3.22Å | ||
| 2304 | E | 22.3 | Very low | 24 | Very low | 65 Ų | 65 | 114 Ų | 114 | 30% | 0.304 | 59% | 0.586 | S | S | . | * | trans | 45.9 | 92.9 | 135 | -136.8 | -118.9 | 137.5 | 0 | 0 | 120.9 | T2306 L2453 K2478 F2480 | E2304-T2306 PolarHBondContact OE1-OG1 3.48Å; E2304-L2453 HydrophobicContact CB-CD1 3.94Å; E2304-K2478 WeakPolarHBondContact CA-O 3.35Å; E2304-K2478 WeakPolarHBondContact CB-O 3.4Å; E2304-K2478 PolarHBondContact N-O 2.82Å; E2304-F2480 WeakPolarHBondContact OE1-CA 3.31Å; E2304-F2480 PolarHBondContact OE1-N 3.24Å; E2304-F2480 VanDerWaalsContact OE1-N 3.1Å | ||
| 2305 | I | 20.8 | Very low | 23.8 | Very low | 57 Ų | 57 | 114.2 Ų | 114.2 | 29% | 0.292 | 59% | 0.593 | S | S | . | * | trans | -144.2 | 145.9 | 150.3 | -17.8 | 75.8 | 0 | 0 | 0 | 113.1 | Y2451 W2477 | I2305-Y2451 HydrophobicContact CB-CD1 3.7Å; I2305-Y2451 HydrophobicContact CB-CE1 3.54Å; I2305-Y2451 HydrophobicContact CB-CG 4.36Å; I2305-Y2451 HydrophobicContact CD1-CD1 3.96Å; I2305-Y2451 HydrophobicContact CD1-CD2 3.62Å; I2305-Y2451 HydrophobicContact CD1-CE1 4.04Å; I2305-Y2451 HydrophobicContact CD1-CE2 3.71Å; I2305-Y2451 HydrophobicContact CD1-CG 3.73Å; I2305-Y2451 HydrophobicContact CG1-CD1 3.37Å; I2305-Y2451 HydrophobicContact CG1-CD2 3.97Å; I2305-Y2451 HydrophobicContact CG1-CE1 3.65Å; I2305-Y2451 HydrophobicContact CG1-CE2 4.22Å; I2305-Y2451 HydrophobicContact CG1-CG 3.52Å; I2305-Y2451 HydrophobicContact CG2-CD1 3.58Å; I2305-Y2451 HydrophobicContact CG2-CE1 3.65Å; I2305-W2477 HydrophobicContact CD1-CZ2 3.72Å | ||
| 2306 | T | 18.8 | Very low | 23.3 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 59% | 0.589 | 61% | 0.614 | S | S | * | * | trans | -126.5 | 165.6 | -153.8 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | E2304 | E2304-T2306 PolarHBondContact OE1-OG1 3.48Š| ||
| 2307 | L | 19.4 | Very low | 23 | Very low | 151 Ų | 151 | 118.7 Ų | 118.7 | 79% | 0.791 | 62% | 0.624 | S | S | * | * | trans | -74.1 | 155 | -163.9 | -57.9 | 130.9 | 0 | 0 | 0 | 115.6 | ||||
| 2308 | N | 20.7 | Very low | 22.5 | Very low | 174 Ų | 174 | 124.5 Ų | 124.5 | 93% | 0.93 | 65% | 0.65 | S | S | * | * | -179.2 | 110.9 | 119 | -95.1 | -44.2 | 0 | 0 | 0 | 112.6 | |||||
| 2309 | G | 18.8 | Very low | 21.8 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | -164 | 134.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2310 | R | 18.9 | Very low | 21.5 | Very low | 259 Ų | 259 | 129.3 Ų | 129.3 | 98% | 0.977 | 67% | 0.666 | S | S | * | * | trans | -83.9 | 149.3 | -171.4 | -75.5 | -177.1 | 175.2 | 169.9 | -1.9 | 113.1 | ||||
| 2311 | W | 18.9 | Very low | 21.2 | Very low | 236 Ų | 236 | 134.9 Ų | 134.9 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | trans | -81 | 147.8 | 179.7 | -64.9 | 36.3 | 0 | 0 | 0 | 111.1 | ||||
| 2312 | Y | 20.5 | Very low | 20.9 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 82% | 0.82 | 71% | 0.713 | S | S | * | * | trans | -147.3 | 109.8 | 147.7 | -105.6 | -75.2 | 0 | 0 | 0 | 110.9 | ||||
| 2313 | E | 20.5 | Very low | 20.8 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | 53.6 | 129.3 | 145.7 | -68 | 169.3 | 172.1 | 0 | 0 | 122.2 | ||||
| 2314 | S | 21 | Very low | 20.6 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 156.2 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 113 | P2316 | S2314-P2316 WeakPolarHBondContact O-CD 3.27Š|
| 2315 | I | 25.9 | Very low | 20.4 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.8 | 172.3 | -59.3 | 158.6 | 0 | 0 | 0 | 111.9 | ||
| 2316 | P | 20.7 | Very low | 20.4 | Very low | 118 Ų | 118 | 160.2 Ų | 160.2 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 135.1 | 155 | 33.6 | -28.5 | 0 | 0 | 0 | 110.8 | S2314 | S2314-P2316 WeakPolarHBondContact O-CD 3.27Š|
| 2317 | L | 25.2 | Very low | 20.5 | Very low | 168 Ų | 168 | 161 Ų | 161 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 133.7 | 169.3 | -78.6 | 147.5 | 0 | 0 | 0 | 108.8 | ||
| 2318 | E | 19.5 | Very low | 20.5 | Very low | 160 Ų | 160 | 160.7 Ų | 160.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -142.6 | 131.3 | -180 | -127.6 | -172 | -154.8 | 0 | 0 | 112.3 | ||||
| 2319 | Y | 19.6 | Very low | 20.6 | Very low | 215 Ų | 215 | 158.1 Ų | 158.1 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 56.6 | 144.1 | 175 | -58 | -84.5 | 0 | 0 | 0 | 118.3 | ||||
| 2320 | G | 19.6 | Very low | 20.7 | Very low | 61 Ų | 61 | 161.8 Ų | 161.8 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | -178.9 | 122.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2321 | T | 20 | Very low | 20.7 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 15 | 113.1 | 156.7 | 53 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2322 | V | 19.6 | Very low | 20.7 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | -135.1 | 127.9 | 136.8 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2323 | P | 21.8 | Very low | 20.7 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -96.9 | 164.2 | -178.3 | 37.8 | -35.3 | 0 | 0 | 0 | 113 | ||||
| 2324 | Y | 20.5 | Very low | 20.6 | Very low | 223 Ų | 223 | 143.2 Ų | 143.2 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | -157.3 | 147.7 | 127.7 | -120.5 | -79.1 | 0 | 0 | 0 | 111.4 | |||||
| 2325 | R | 18.6 | Very low | 20.6 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -116.1 | 137.5 | 178.1 | -82.8 | -178.5 | 173 | 170.1 | -3.6 | 111.4 | ||||
| 2326 | F | 19.4 | Very low | 20.3 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | -144.2 | 124.7 | 147.7 | -96 | -96.9 | 0 | 0 | 0 | 102.7 | ||||
| 2327 | L | 20.6 | Very low | 20.3 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 59% | 0.586 | 77% | 0.768 | S | S | * | * | cis | 55.3 | 127.4 | 30.8 | -52.9 | 179.3 | 0 | 0 | 0 | 110.9 | ||||
| 2328 | E | 20.5 | Very low | 20.1 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | cis | -162.5 | 176.4 | -3.7 | -139.5 | 171.9 | -134.7 | 0 | 0 | 108.5 | ||||
| 2329 | N | 21.8 | Very low | 20.1 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | trans | 49.4 | 101.4 | 155.9 | -53.6 | -36.2 | 0 | 0 | 0 | 119.3 | ||||
| 2330 | N | 21 | Very low | 20.2 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | -169.8 | 121.3 | 110.7 | -98 | -37.1 | 0 | 0 | 0 | 115 | |||||
| 2331 | L | 19.9 | Very low | 20.2 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 117.8 | 138.1 | -63.8 | 164.5 | 0 | 0 | 0 | 122.3 | ||||
| 2332 | I | 19.7 | Very low | 20.3 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 83 | 92.7 | 136.1 | -59.8 | 171.8 | 0 | 0 | 0 | 119.1 | ||||
| 2333 | T | 19.5 | Very low | 20.4 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 32.2 | 136.4 | 134.5 | 63.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 2334 | G | 19.1 | Very low | 20.3 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 110.3 | 88.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2335 | I | 20.1 | Very low | 20.3 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | 62.4 | 125.1 | 70.8 | -46.2 | 177.5 | 0 | 0 | 0 | 113.2 | |||||
| 2336 | Y | 19.8 | Very low | 20.4 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 92% | 0.918 | 74% | 0.738 | S | S | * | * | trans | 76.8 | 134.8 | 177.7 | -71.8 | -70.5 | 0 | 0 | 0 | 119.8 | ||||
| 2337 | G | 19.9 | Very low | 20.4 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | 122.2 | 84.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | P2339 | G2337-P2339 WeakPolarHBondContact O-CD 3.45Š| ||
| 2338 | I | 21.4 | Very low | 20.4 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 75% | 0.751 | S | S | * | * | trans | -83.1 | 128.1 | 168 | -63.7 | 167.5 | 0 | 0 | 0 | 110.1 | I2340 | I2338-I2340 HydrophobicContact CG2-CG1 4.2Š| ||
| 2339 | P | 20 | Very low | 20.5 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -138.1 | 94.7 | 139.5 | 34.5 | -19.6 | 0 | 0 | 0 | 112 | G2337 K2341 | G2337-P2339 WeakPolarHBondContact O-CD 3.45Å; P2339-K2341 PolarHBondContact O-N 2.85Å | ||
| 2340 | I | 21.5 | Very low | 20.8 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -73.2 | 112.4 | 172.1 | -68 | 172.9 | 0 | 0 | 0 | 109.2 | I2338 A2342 | I2338-I2340 HydrophobicContact CG2-CG1 4.2Å; I2340-A2342 PolarHBondContact O-N 2.91Å; I2340-A2342 VanDerWaalsContact O-N 3.08Å | ||
| 2341 | K | 20.5 | Very low | 21 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | -71.9 | 94.3 | 178.5 | -70.8 | 175.5 | 175.9 | 173.7 | 0 | 111.5 | P2339 N2343 | P2339-K2341 PolarHBondContact O-N 2.85Å; K2341-N2343 PolarHBondContact O-N 2.82Å | ||
| 2342 | A | 21.5 | Very low | 21.1 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -82.6 | 101.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I2340 L2344 | I2340-A2342 PolarHBondContact O-N 2.91Å; I2340-A2342 VanDerWaalsContact O-N 3.08Å; A2342-L2344 PolarHBondContact O-N 3.05Å | ||
| 2343 | N | 21.2 | Very low | 21.3 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -75.5 | 105.8 | 175.6 | -63.6 | -48.9 | 0 | 0 | 0 | 110.3 | K2341 H2345 | K2341-N2343 PolarHBondContact O-N 2.82Å; N2343-H2345 PolarHBondContact O-N 3.13Å | ||
| 2344 | L | 20.5 | Very low | 21.7 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 74% | 0.742 | S | S | * | * | trans | -77 | 110.7 | 171.4 | -128.8 | 80.4 | 0 | 0 | 0 | 109.9 | A2342 F2346 | A2342-L2344 PolarHBondContact O-N 3.05Å; L2344-F2346 HydrophobicContact CB-CE2 4.22Å; L2344-F2346 HydrophobicContact CD2-CE2 4.03Å; L2344-F2346 HydrophobicContact CD2-CZ 3.88Å; L2344-F2346 PolarHBondContact O-N 3.25Å | ||
| 2345 | H | 19.5 | Very low | 21.9 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | -79.4 | 107.6 | 168.4 | -90.7 | -84 | 0 | 0 | 0 | 109.8 | N2343 | N2343-H2345 PolarHBondContact O-N 3.13Š| ||
| 2346 | F | 21 | Very low | 22.1 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 123.5 | 165.3 | -71.1 | -90.6 | 0 | 0 | 0 | 109.7 | L2344 | L2344-F2346 HydrophobicContact CB-CE2 4.22Å; L2344-F2346 HydrophobicContact CD2-CE2 4.03Å; L2344-F2346 HydrophobicContact CD2-CZ 3.88Å; L2344-F2346 PolarHBondContact O-N 3.25Å | ||
| 2347 | L | 20 | Very low | 22.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -103.1 | 115.9 | 153.3 | -127.6 | 80.4 | 0 | 0 | 0 | 106.5 | ||||
| 2348 | Y | 21.3 | Very low | 22.2 | Very low | 208 Ų | 208 | 142.3 Ų | 142.3 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | -106.4 | 147.8 | -179.8 | -172.4 | -90.1 | 0 | 0 | 0 | 110.5 | ||||
| 2349 | D | 22.6 | Very low | 22.2 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -144 | 144.1 | -178.7 | -177 | 50.2 | 0 | 0 | 0 | 107 | ||||
| 2350 | P | 26.9 | Very low | 22.2 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 47% | 0.474 | 73% | 0.731 | S | S | . | * | cis | -120.9 | 179.8 | -1.5 | 42.2 | -30 | 0 | 0 | 0 | 113.2 | L2352 | P2350-L2352 PolarHBondContact O-N 3.28Š| ||
| 2351 | P | 25.5 | Very low | 22.2 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -78.8 | 115.2 | 165 | 30.6 | -33.1 | 0 | 0 | 0 | 112.5 | ||||
| 2352 | L | 22.7 | Very low | 22.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -68.2 | 152.1 | 160.8 | -101.8 | 78.2 | 0 | 0 | 0 | 111 | P2350 L2354 | P2350-L2352 PolarHBondContact O-N 3.28Å; L2352-L2354 PolarHBondContact O-N 2.91Å; L2352-L2354 VanDerWaalsContact O-N 3.12Å | ||
| 2353 | N | 23.3 | Very low | 22.1 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -77.8 | 92.3 | 168 | 177.8 | 11.8 | 0 | 0 | 0 | 110.5 | S2355 | N2353-S2355 PolarHBondContact OD1-OG 2.99Å; N2353-S2355 VanDerWaalsContact OD1-OG 3.05Å | ||
| 2354 | L | 26.7 | Very low | 22.2 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | -90.3 | 104.6 | 171.4 | -69.8 | 169.8 | 0 | 0 | 0 | 110 | L2352 | L2352-L2354 PolarHBondContact O-N 2.91Å; L2352-L2354 VanDerWaalsContact O-N 3.12Å | ||
| 2355 | S | 23.9 | Very low | 22.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | trans | -143.6 | 15.7 | 172 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | N2353 | N2353-S2355 PolarHBondContact OD1-OG 2.99Å; N2353-S2355 VanDerWaalsContact OD1-OG 3.05Å | ||
| 2356 | N | 24.9 | Very low | 22.4 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -122.5 | 81.8 | 173.6 | -144.9 | 13.6 | 0 | 0 | 0 | 110 | ||
| 2357 | R | 20.6 | Very low | 22.5 | Very low | 202 Ų | 202 | 127.1 Ų | 127.1 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | 60.7 | 147.9 | 169.2 | -63.5 | -168.7 | -174.7 | -173.8 | 0.3 | 119.3 | ||||
| 2358 | E | 21.6 | Very low | 22.7 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | trans | 20.6 | 110.9 | 145.5 | -60 | 121.1 | -118.6 | 0 | 0 | 116 | ||||
| 2359 | S | 20.1 | Very low | 22.7 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | cis | -160.5 | -168.1 | 38.3 | -68.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2360 | T | 19.8 | Very low | 22.8 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -35.7 | 132.1 | 164.3 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | D2362 | T2360-D2362 VanDerWaalsContact CB-OD1 3.3Å; T2360-D2362 WeakPolarHBondContact CB-OD1 3.23Å; T2360-D2362 PolarHBondContact O-N 2.83Å; T2360-D2362 PolarHBondContact OG1-OD1 3.05Å | ||
| 2361 | V | 21.6 | Very low | 22.7 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | trans | -89.8 | 94.6 | 155.8 | 177.6 | 0 | 0 | 0 | 0 | 106.1 | I2363 | V2361-I2363 PolarHBondContact O-N 2.94Š| ||
| 2362 | D | 20.9 | Very low | 22.6 | Very low | 90 Ų | 90 | 119 Ų | 119 | 48% | 0.481 | 65% | 0.65 | S | S | . | * | trans | -65.5 | 130.9 | -179 | -57.1 | -54.1 | 0 | 0 | 0 | 110.4 | T2360 F2364 | T2360-D2362 VanDerWaalsContact CB-OD1 3.3Å; T2360-D2362 WeakPolarHBondContact CB-OD1 3.23Å; T2360-D2362 PolarHBondContact O-N 2.83Å; T2360-D2362 PolarHBondContact OG1-OD1 3.05Å; D2362-F2364 VanDerWaalsContact C-N 3.34Å; D2362-F2364 HydrophobicContact CB-CD2 4.19Å; D2362-F2364 HydrophobicContact CB-CE2 3.67Å; D2362-F2364 HydrophobicContact CB-CZ 4.04Å; D2362-F2364 WeakPolarHBondContact O-CD2 3.24Å; D2362-F2364 PolarHBondContact O-N 3.06Å | ||
| 2363 | I | 20.4 | Very low | 22.7 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 46% | 0.462 | 64% | 0.641 | S | S | . | * | trans | -78.3 | 86.2 | -178 | -63.7 | 172.5 | 0 | 0 | 0 | 108.5 | V2361 L2365 M2380 M2388 | V2361-I2363 PolarHBondContact O-N 2.94Å; I2363-L2365 PolarHBondContact O-N 2.79Å; I2363-M2380 HydrophobicContact CB-SD 4.19Å; I2363-M2380 HydrophobicContact CD1-SD 3.73Å; I2363-M2380 HydrophobicContact CG2-SD 4.34Å; I2363-M2388 HydrophobicContact CD1-CE 4.21Å | ||
| 2364 | F | 22.1 | Very low | 23 | Very low | 183 Ų | 183 | 118.1 Ų | 118.1 | 80% | 0.803 | 64% | 0.64 | S | S | * | * | trans | -72.5 | 124.4 | 177.5 | -75.9 | -71.7 | 0 | 0 | 0 | 111.8 | D2362 | D2362-F2364 VanDerWaalsContact C-N 3.34Å; D2362-F2364 HydrophobicContact CB-CD2 4.19Å; D2362-F2364 HydrophobicContact CB-CE2 3.67Å; D2362-F2364 HydrophobicContact CB-CZ 4.04Å; D2362-F2364 WeakPolarHBondContact O-CD2 3.24Å; D2362-F2364 PolarHBondContact O-N 3.06Å | ||
| 2365 | L | 21.9 | Very low | 23 | Very low | 44 Ų | 44 | 117 Ų | 117 | 23% | 0.23 | 64% | 0.635 | C | S | . | * | trans | -136.2 | 85.5 | -159 | -169.3 | 65.6 | 0 | 0 | 0 | 110 | I2363 I2367 F2376 I2378 L2390 F2392 | I2363-L2365 PolarHBondContact O-N 2.79Å; L2365-I2367 HydrophobicContact CG-CD1 4.34Å; L2365-F2376 HydrophobicContact CD2-CZ 4.48Å; L2365-I2378 HydrophobicContact CB-CD1 4.01Å; L2365-I2378 HydrophobicContact CD2-CD1 4.05Å; L2365-I2378 HydrophobicContact CD2-CG1 4.05Å; L2365-I2378 HydrophobicContact CD2-CG2 3.75Å; L2365-L2390 HydrophobicContact CD2-CD1 4.25Å; L2365-L2390 HydrophobicContact CD2-CD2 3.97Å; L2365-F2392 HydrophobicContact CD1-CZ 3.83Å; L2365-F2392 HydrophobicContact CD2-CD1 4.4Å; L2365-F2392 HydrophobicContact CD2-CE1 3.37Å; L2365-F2392 HydrophobicContact CD2-CZ 3.52Å; L2365-F2392 HydrophobicContact CG-CE1 4.05Å; L2365-F2392 HydrophobicContact CG-CZ 3.8Å | ||
| 2366 | T | 23 | Very low | 23 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 85% | 0.847 | 62% | 0.615 | S | S | * | * | trans | -99.7 | 98.2 | -168.4 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2367 | I | 22.5 | Very low | 23 | Very low | 49 Ų | 49 | 114.8 Ų | 114.8 | 25% | 0.251 | 61% | 0.608 | S | S | . | * | trans | -79.6 | 137.9 | 170.6 | -61.2 | 92.3 | 0 | 0 | 0 | 109.6 | L2365 L2369 F2376 F2392 | L2365-I2367 HydrophobicContact CG-CD1 4.34Å; I2367-L2369 HydrophobicContact CB-CD1 4.02Å; I2367-L2369 HydrophobicContact CG2-CD1 3.77Å; I2367-L2369 HydrophobicContact CG2-CG 3.97Å; I2367-F2376 HydrophobicContact CD1-CD1 3.84Å; I2367-F2376 HydrophobicContact CD1-CE1 3.25Å; I2367-F2376 HydrophobicContact CD1-CE2 4.06Å; I2367-F2376 HydrophobicContact CD1-CG 4.46Å; I2367-F2376 HydrophobicContact CD1-CZ 3.39Å; I2367-F2392 HydrophobicContact CD1-CB 3.8Å; I2367-F2392 HydrophobicContact CD1-CD1 3.81Å; I2367-F2392 HydrophobicContact CD1-CD2 3.58Å; I2367-F2392 HydrophobicContact CD1-CE1 4.21Å; I2367-F2392 HydrophobicContact CD1-CE2 3.98Å; I2367-F2392 HydrophobicContact CD1-CG 3.45Å; I2367-F2392 VanDerWaalsContact CD1-CG 3.45Å; I2367-F2392 HydrophobicContact CD1-CZ 4.26Å; I2367-F2392 HydrophobicContact CG1-CB 3.75Å; I2367-F2392 HydrophobicContact CG1-CD1 4.44Å; I2367-F2392 HydrophobicContact CG1-CD2 3.33Å; I2367-F2392 HydrophobicContact CG1-CE2 3.95Å; I2367-F2392 HydrophobicContact CG1-CG 3.6Å | ||
| 2368 | K | 23.5 | Very low | 23.1 | Very low | 207 Ų | 207 | 108.4 Ų | 108.4 | 90% | 0.9 | 59% | 0.588 | S | S | * | * | trans | -85.8 | 126.4 | 167.5 | -67.7 | -175.3 | 176.7 | -175.8 | 0 | 109.6 | ||||
| 2369 | L | 22.4 | Very low | 23.1 | Very low | 80 Ų | 80 | 106.9 Ų | 106.9 | 42% | 0.419 | 59% | 0.585 | S | S | . | * | trans | -127.5 | 154.4 | 179.2 | -70.5 | 118 | 0 | 0 | 0 | 111.8 | I2367 V2394 V2395 | I2367-L2369 HydrophobicContact CB-CD1 4.02Å; I2367-L2369 HydrophobicContact CG2-CD1 3.77Å; I2367-L2369 HydrophobicContact CG2-CG 3.97Å; L2369-V2394 VanDerWaalsContact CD1-O 3.28Å; L2369-V2394 WeakPolarHBondContact CD1-O 3.33Å; L2369-V2394 WeakPolarHBondContact CD2-O 3.41Å; L2369-V2395 HydrophobicContact CB-CG2 4.19Å; L2369-V2395 HydrophobicContact CD2-CG2 4.04Å | ||
| 2370 | A | 24.8 | Very low | 23.3 | Very low | 75 Ų | 75 | 106.5 Ų | 106.5 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | trans | -89.5 | 156.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2372 V2395 | A2370-A2372 PolarHBondContact O-N 3.44Å; A2370-V2395 WeakPolarHBondContact O-CG1 3.34Å; A2370-V2395 WeakPolarHBondContact O-CG2 3.43Å | ||
| 2371 | P | 24.8 | Very low | 23.4 | Very low | 101 Ų | 101 | 109.1 Ų | 109.1 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -86.6 | 67.6 | -160.7 | -9.4 | 29.4 | 0 | 0 | 0 | 116 | N2397 | P2371-N2397 WeakPolarHBondContact CB-OD1 3.32Š|
| 2372 | A | 23.9 | Very low | 23.6 | Very low | 77 Ų | 77 | 109.9 Ų | 109.9 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -133.3 | 102.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A2370 V2395 | A2370-A2372 PolarHBondContact O-N 3.44Å; A2372-V2395 VanDerWaalsContact O-CG2 3.32Å; A2372-V2395 WeakPolarHBondContact O-CG2 3.36Å |
| 2373 | A | 24.8 | Very low | 23.8 | Very low | 63 Ų | 63 | 112 Ų | 112 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 59.3 | 99.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 123 | V2394 | A2373-V2394 WeakPolarHBondContact O-CG1 3.49Š|
| 2374 | R | 28 | Very low | 24.2 | Very low | 199 Ų | 199 | 114.9 Ų | 114.9 | 75% | 0.751 | 60% | 0.604 | S | S | * | * | trans | 81 | 90.8 | 135.8 | -57.6 | 170.4 | -172.3 | 172.1 | 1.9 | 123.1 | V2394 V2395 | R2374-V2394 VanDerWaalsContact O-CB 3.31Å; R2374-V2394 WeakPolarHBondContact O-CB 3.33Å; R2374-V2394 WeakPolarHBondContact O-CG1 3.41Å; R2374-V2395 CarbonylContact C-O 3.39Å; R2374-V2395 WeakPolarHBondContact CA-O 3.38Å; R2374-V2395 PolarHBondContact N-O 3.13Å | ||
| 2375 | N | 28 | Very low | 24.6 | Very low | 116 Ų | 116 | 111.6 Ų | 111.6 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | trans | 64.4 | 129.9 | 154.1 | -66.4 | -0.7 | 0 | 0 | 0 | 120.6 | V2394 V2395 | N2375-V2394 WeakPolarHBondContact O-CB 3.46Å; N2375-V2394 WeakPolarHBondContact O-CG2 3.32Å; N2375-V2395 PolarHBondContact N-O 2.81Å | ||
| 2376 | F | 23.5 | Very low | 24.8 | Very low | 62 Ų | 62 | 114.4 Ų | 114.4 | 27% | 0.272 | 63% | 0.627 | S | S | . | * | trans | -101.3 | 140.3 | 172.3 | 169.2 | -121 | 0 | 0 | 0 | 112.5 | L2365 I2367 I2378 F2392 N2393 | L2365-F2376 HydrophobicContact CD2-CZ 4.48Å; I2367-F2376 HydrophobicContact CD1-CD1 3.84Å; I2367-F2376 HydrophobicContact CD1-CE1 3.25Å; I2367-F2376 HydrophobicContact CD1-CE2 4.06Å; I2367-F2376 HydrophobicContact CD1-CG 4.46Å; I2367-F2376 HydrophobicContact CD1-CZ 3.39Å; F2376-I2378 HydrophobicContact CD1-CG1 4.45Å; F2376-I2378 HydrophobicContact CE1-CD1 4.14Å; F2376-I2378 HydrophobicContact CE1-CG1 3.47Å; F2376-I2378 VanDerWaalsContact CE1-CG1 3.47Å; F2376-I2378 HydrophobicContact CE2-CG1 4.48Å; F2376-I2378 HydrophobicContact CZ-CB 4.4Å; F2376-I2378 HydrophobicContact CZ-CG1 3.49Å; F2376-I2378 VanDerWaalsContact CZ-CG1 3.49Å; F2376-F2392 HydrophobicContact CD2-CB 4.24Å; F2376-F2392 HydrophobicContact CE1-CD1 4.46Å; F2376-F2392 HydrophobicContact CE2-CB 3.66Å; F2376-F2392 AromaticContact CE2-CD1 3.44Å; F2376-F2392 HydrophobicContact CE2-CD1 3.44Å; F2376-F2392 VanDerWaalsContact CE2-CD1 3.44Å; F2376-F2392 HydrophobicContact CE2-CE1 4.42Å; F2376-F2392 AromaticContact CE2-CG 3.93Å; F2376-F2392 HydrophobicContact CE2-CG 3.93Å; F2376-F2392 HydrophobicContact CZ-CB 4.15Å; F2376-F2392 AromaticContact CZ-CD1 3.29Å; F2376-F2392 HydrophobicContact CZ-CD1 3.29Å; F2376-F2392 AromaticContact CZ-CE1 3.89Å; F2376-F2392 HydrophobicContact CZ-CE1 3.89Å; F2376-F2392 AromaticContact CZ-CG 3.96Å; F2376-F2392 HydrophobicContact CZ-CG 3.96Å; F2376-N2393 WeakPolarHBondContact CA-O 3.36Å; F2376-N2393 VanDerWaalsContact CB-O 3.29Å; F2376-N2393 WeakPolarHBondContact CB-O 3.41Å; F2376-N2393 VanDerWaalsContact CD2-O 3.24Å; F2376-N2393 WeakPolarHBondContact CD2-O 2.99Å | ||
| 2377 | Q | 23.8 | Very low | 24.8 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | trans | -129.1 | 144.5 | 177.3 | 172.8 | 177.6 | -29.1 | 0 | 0 | 111.1 | ||||
| 2378 | I | 23.7 | Very low | 24.8 | Very low | 69 Ų | 69 | 117.4 Ų | 117.4 | 35% | 0.354 | 63% | 0.629 | S | S | . | * | trans | -109.6 | 123.8 | -176.3 | -52.1 | 168.3 | 0 | 0 | 0 | 110.2 | L2365 F2376 M2380 L2390 | L2365-I2378 HydrophobicContact CB-CD1 4.01Å; L2365-I2378 HydrophobicContact CD2-CD1 4.05Å; L2365-I2378 HydrophobicContact CD2-CG1 4.05Å; L2365-I2378 HydrophobicContact CD2-CG2 3.75Å; F2376-I2378 HydrophobicContact CD1-CG1 4.45Å; F2376-I2378 HydrophobicContact CE1-CD1 4.14Å; F2376-I2378 HydrophobicContact CE1-CG1 3.47Å; F2376-I2378 VanDerWaalsContact CE1-CG1 3.47Å; F2376-I2378 HydrophobicContact CE2-CG1 4.48Å; F2376-I2378 HydrophobicContact CZ-CB 4.4Å; F2376-I2378 HydrophobicContact CZ-CG1 3.49Å; F2376-I2378 VanDerWaalsContact CZ-CG1 3.49Å; I2378-M2380 HydrophobicContact CG2-CG 3.99Å; I2378-L2390 HydrophobicContact CG2-CD2 3.79Å | ||
| 2379 | D | 22.4 | Very low | 24.7 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 66% | 0.658 | 62% | 0.624 | S | S | * | * | trans | -113.4 | 132.8 | 162.4 | -69.2 | -50.5 | 0 | 0 | 0 | 109.6 | L2390 | D2379-L2390 WeakPolarHBondContact O-CD2 3.41Š| ||
| 2380 | M | 22.9 | Very low | 24.7 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 47% | 0.473 | 61% | 0.614 | S | S | . | * | trans | -119.8 | 120.8 | -177.8 | -75.6 | -175.8 | -70.4 | 0 | 0 | 111.1 | I2363 I2378 M2388 L2390 | I2363-M2380 HydrophobicContact CB-SD 4.19Å; I2363-M2380 HydrophobicContact CD1-SD 3.73Å; I2363-M2380 HydrophobicContact CG2-SD 4.34Å; I2378-M2380 HydrophobicContact CG2-CG 3.99Å; M2380-M2388 HydrophobicContact CB-CE 3.91Å; M2380-M2388 HydrophobicContact CG-CE 3.68Å; M2380-M2388 HydrophobicContact SD-CE 3.54Å; M2380-M2388 VanDerWaalsContact SD-CE 3.54Å; M2380-L2390 HydrophobicContact CG-CD1 4.26Å; M2380-L2390 HydrophobicContact CG-CD2 3.78Å; M2380-L2390 HydrophobicContact CG-CG 4.36Å | ||
| 2381 | E | 23.4 | Very low | 24.6 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | B | Isolated β-bridge | trans | -109 | 132.5 | 168.4 | -166.1 | 168.1 | -138.3 | 0 | 0 | 109.5 | ||
| 2382 | I | 24.3 | Very low | 24.5 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 72% | 0.718 | 60% | 0.602 | S | S | * | * | trans | -122 | 113.7 | -174.5 | -59.6 | 172.9 | 0 | 0 | 0 | 107.6 | M2388 | I2382-M2388 HydrophobicContact CG1-CE 4.09Š| ||
| 2383 | D | 26.1 | Very low | 24.4 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | trans | -119.2 | 149.1 | 173.2 | -168.8 | 16.2 | 0 | 0 | 0 | 110.1 | S2385 | D2383-S2385 PolarHBondContact O-N 2.91Š| ||
| 2384 | D | 29.2 | Very low | 24.6 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 81% | 0.807 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 131.3 | -171.7 | -97.2 | -39.8 | 0 | 0 | 0 | 111.1 | ||
| 2385 | S | 28.8 | Very low | 24.6 | Very low | 113 Ų | 113 | 111.1 Ų | 111.1 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 58.1 | -175.9 | 70.3 | 0 | 0 | 0 | 0 | 117.1 | D2383 | D2383-S2385 PolarHBondContact O-N 2.91Š|
| 2386 | S | 26.6 | Very low | 25.1 | Very low | 104 Ų | 104 | 110.4 Ų | 110.4 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 79.8 | 33.9 | 133.1 | 74.1 | 0 | 0 | 0 | 0 | 120.6 | ||
| 2387 | K | 22.4 | Very low | 25.2 | Very low | 167 Ų | 167 | 112.8 Ų | 112.8 | 73% | 0.726 | 58% | 0.578 | S | S | * | * | trans | -126.3 | 65.5 | 155.7 | -74.8 | -165.7 | 176.5 | -179.4 | 0 | 113.7 | R2389 | K2387-R2389 PolarHBondContact O-N 3.19Š| ||
| 2388 | M | 23 | Very low | 25.2 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 40% | 0.404 | 58% | 0.583 | S | S | . | * | trans | -55.9 | 123.3 | 163.6 | -166.6 | 176.9 | -161 | 0 | 0 | 109.4 | I2363 M2380 I2382 L2390 | I2363-M2388 HydrophobicContact CD1-CE 4.21Å; M2380-M2388 HydrophobicContact CB-CE 3.91Å; M2380-M2388 HydrophobicContact CG-CE 3.68Å; M2380-M2388 HydrophobicContact SD-CE 3.54Å; M2380-M2388 VanDerWaalsContact SD-CE 3.54Å; I2382-M2388 HydrophobicContact CG1-CE 4.09Å; M2388-L2390 HydrophobicContact CE-CD1 4.1Å; M2388-L2390 HydrophobicContact CG-CD1 4.27Å; M2388-L2390 HydrophobicContact SD-CD1 4.19Å | ||
| 2389 | R | 21.9 | Very low | 25 | Very low | 213 Ų | 213 | 121.1 Ų | 121.1 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | B | Isolated β-bridge | trans | -116.9 | 125.2 | -175.7 | -161.2 | -177.1 | -162.3 | -177.1 | 6.1 | 108.9 | K2387 | K2387-R2389 PolarHBondContact O-N 3.19Å |
| 2390 | L | 22.7 | Very low | 25.1 | Very low | 42 Ų | 42 | 117.7 Ų | 117.7 | 22% | 0.22 | 59% | 0.587 | C | S | . | * | trans | -136.7 | 137 | -171.2 | -94.1 | 162.3 | 0 | 0 | 0 | 109.3 | L2365 I2378 D2379 M2380 M2388 F2392 | L2365-L2390 HydrophobicContact CD2-CD1 4.25Å; L2365-L2390 HydrophobicContact CD2-CD2 3.97Å; I2378-L2390 HydrophobicContact CG2-CD2 3.79Å; D2379-L2390 WeakPolarHBondContact O-CD2 3.41Å; M2380-L2390 HydrophobicContact CG-CD1 4.26Å; M2380-L2390 HydrophobicContact CG-CD2 3.78Å; M2380-L2390 HydrophobicContact CG-CG 4.36Å; M2388-L2390 HydrophobicContact CE-CD1 4.1Å; M2388-L2390 HydrophobicContact CG-CD1 4.27Å; M2388-L2390 HydrophobicContact SD-CD1 4.19Å; L2390-F2392 HydrophobicContact CB-CE1 3.71Å; L2390-F2392 HydrophobicContact CB-CZ 3.57Å; L2390-F2392 HydrophobicContact CD2-CE1 3.83Å; L2390-F2392 HydrophobicContact CD2-CZ 4.36Å; L2390-F2392 HydrophobicContact CG-CE1 4.36Å; L2390-F2392 HydrophobicContact CG-CZ 4.45Å | ||
| 2391 | Q | 23 | Very low | 24.8 | Very low | 145 Ų | 145 | 118 Ų | 118 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | trans | -143.2 | 131.9 | -163.8 | -175.5 | 173.2 | 111.4 | 0 | 0 | 111.1 | ||||
| 2392 | F | 22.7 | Very low | 24.6 | Very low | 78 Ų | 78 | 114 Ų | 114 | 34% | 0.342 | 58% | 0.578 | S | S | . | * | trans | -134.7 | 150.9 | -156.6 | -45.6 | -46.7 | 0 | 0 | 0 | 115 | L2365 I2367 F2376 L2390 | L2365-F2392 HydrophobicContact CD1-CZ 3.83Å; L2365-F2392 HydrophobicContact CD2-CD1 4.4Å; L2365-F2392 HydrophobicContact CD2-CE1 3.37Å; L2365-F2392 HydrophobicContact CD2-CZ 3.52Å; L2365-F2392 HydrophobicContact CG-CE1 4.05Å; L2365-F2392 HydrophobicContact CG-CZ 3.8Å; I2367-F2392 HydrophobicContact CD1-CB 3.8Å; I2367-F2392 HydrophobicContact CD1-CD1 3.81Å; I2367-F2392 HydrophobicContact CD1-CD2 3.58Å; I2367-F2392 HydrophobicContact CD1-CE1 4.21Å; I2367-F2392 HydrophobicContact CD1-CE2 3.98Å; I2367-F2392 HydrophobicContact CD1-CG 3.45Å; I2367-F2392 VanDerWaalsContact CD1-CG 3.45Å; I2367-F2392 HydrophobicContact CD1-CZ 4.26Å; I2367-F2392 HydrophobicContact CG1-CB 3.75Å; I2367-F2392 HydrophobicContact CG1-CD1 4.44Å; I2367-F2392 HydrophobicContact CG1-CD2 3.33Å; I2367-F2392 HydrophobicContact CG1-CE2 3.95Å; I2367-F2392 HydrophobicContact CG1-CG 3.6Å; F2376-F2392 HydrophobicContact CD2-CB 4.24Å; F2376-F2392 HydrophobicContact CE1-CD1 4.46Å; F2376-F2392 HydrophobicContact CE2-CB 3.66Å; F2376-F2392 AromaticContact CE2-CD1 3.44Å; F2376-F2392 HydrophobicContact CE2-CD1 3.44Å; F2376-F2392 VanDerWaalsContact CE2-CD1 3.44Å; F2376-F2392 HydrophobicContact CE2-CE1 4.42Å; F2376-F2392 AromaticContact CE2-CG 3.93Å; F2376-F2392 HydrophobicContact CE2-CG 3.93Å; F2376-F2392 HydrophobicContact CZ-CB 4.15Å; F2376-F2392 AromaticContact CZ-CD1 3.29Å; F2376-F2392 HydrophobicContact CZ-CD1 3.29Å; F2376-F2392 AromaticContact CZ-CE1 3.89Å; F2376-F2392 HydrophobicContact CZ-CE1 3.89Å; F2376-F2392 AromaticContact CZ-CG 3.96Å; F2376-F2392 HydrophobicContact CZ-CG 3.96Å; L2390-F2392 HydrophobicContact CB-CE1 3.71Å; L2390-F2392 HydrophobicContact CB-CZ 3.57Å; L2390-F2392 HydrophobicContact CD2-CE1 3.83Å; L2390-F2392 HydrophobicContact CD2-CZ 4.36Å; L2390-F2392 HydrophobicContact CG-CE1 4.36Å; L2390-F2392 HydrophobicContact CG-CZ 4.45Å | ||
| 2393 | N | 22.1 | Very low | 24.5 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | trans | -162.8 | 162.1 | -179.5 | -140.9 | -4.8 | 0 | 0 | 0 | 113 | F2376 | F2376-N2393 WeakPolarHBondContact CA-O 3.36Å; F2376-N2393 VanDerWaalsContact CB-O 3.29Å; F2376-N2393 WeakPolarHBondContact CB-O 3.41Å; F2376-N2393 VanDerWaalsContact CD2-O 3.24Å; F2376-N2393 WeakPolarHBondContact CD2-O 2.99Å | ||
| 2394 | V | 29.1 | Very low | 24.1 | Very low | 54 Ų | 54 | 111.1 Ų | 111.1 | 33% | 0.327 | 56% | 0.561 | S | S | . | * | trans | 68.5 | 163.1 | 165.5 | -104.6 | 0 | 0 | 0 | 0 | 123.1 | L2369 A2373 R2374 N2375 | L2369-V2394 VanDerWaalsContact CD1-O 3.28Å; L2369-V2394 WeakPolarHBondContact CD1-O 3.33Å; L2369-V2394 WeakPolarHBondContact CD2-O 3.41Å; A2373-V2394 WeakPolarHBondContact O-CG1 3.49Å; R2374-V2394 VanDerWaalsContact O-CB 3.31Å; R2374-V2394 WeakPolarHBondContact O-CB 3.33Å; R2374-V2394 WeakPolarHBondContact O-CG1 3.41Å; N2375-V2394 WeakPolarHBondContact O-CB 3.46Å; N2375-V2394 WeakPolarHBondContact O-CG2 3.32Å | ||
| 2395 | V | 27.5 | Very low | 23.9 | Very low | 20 Ų | 20 | 111.3 Ų | 111.3 | 12% | 0.121 | 56% | 0.56 | C | S | . | * | trans | -136.8 | 170.7 | -138.4 | -178.6 | 0 | 0 | 0 | 0 | 116.8 | L2369 A2370 A2372 R2374 N2375 | L2369-V2395 HydrophobicContact CB-CG2 4.19Å; L2369-V2395 HydrophobicContact CD2-CG2 4.04Å; A2370-V2395 WeakPolarHBondContact O-CG1 3.34Å; A2370-V2395 WeakPolarHBondContact O-CG2 3.43Å; A2372-V2395 VanDerWaalsContact O-CG2 3.32Å; A2372-V2395 WeakPolarHBondContact O-CG2 3.36Å; R2374-V2395 CarbonylContact C-O 3.39Å; R2374-V2395 WeakPolarHBondContact CA-O 3.38Å; R2374-V2395 PolarHBondContact N-O 3.13Å; N2375-V2395 PolarHBondContact N-O 2.81Å | ||
| 2396 | T | 37.9 | Very low | 23.5 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | trans | -159.9 | 174.7 | 154.9 | 8.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 2397 | N | 26.5 | Very low | 23.1 | Very low | 111 Ų | 111 | 107 Ų | 107 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -130.7 | 146.4 | -178.4 | -71.5 | -16.7 | 0 | 0 | 0 | 113.7 | P2371 | P2371-N2397 WeakPolarHBondContact CB-OD1 3.32Š| ||
| 2398 | K | 22.7 | Very low | 23.1 | Very low | 180 Ų | 180 | 106 Ų | 106 | 78% | 0.783 | 56% | 0.558 | S | S | * | * | trans | 75.4 | 154.8 | 166.7 | -65.1 | -168.2 | 174 | -172.5 | 0 | 120.4 | ||||
| 2399 | W | 19.2 | Very low | 22.8 | Very low | 210 Ų | 210 | 112.4 Ų | 112.4 | 80% | 0.795 | 58% | 0.578 | S | S | * | * | trans | 72.1 | 140.7 | 170.6 | -49.5 | 97.5 | 0 | 0 | 0 | 117 | ||||
| 2400 | V | 25 | Very low | 22.6 | Very low | 50 Ų | 50 | 105.8 Ų | 105.8 | 30% | 0.303 | 56% | 0.564 | S | S | . | * | cis | 83.5 | 89.1 | 13.6 | -177.9 | 0 | 0 | 0 | 0 | 116.9 | S2414 Q2416 | V2400-S2414 WeakPolarHBondContact CA-OG 3.41Å; V2400-S2414 VanDerWaalsContact CG1-OG 3.23Å; V2400-S2414 WeakPolarHBondContact CG1-OG 3.3Å; V2400-Q2416 VanDerWaalsContact CG2-CD 3.48Å; V2400-Q2416 HydrophobicContact CG2-CG 4.08Å; V2400-Q2416 VanDerWaalsContact CG2-OE1 3.27Å | ||
| 2401 | L | 17.7 | Very low | 22.4 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -154 | 137.1 | 152.8 | -100.1 | 108.3 | 0 | 0 | 0 | 105.4 | N2412 I2413 S2414 | L2401-N2412 HydrophobicContact CB-CB 4.17Å; L2401-N2412 CarbonylContact O-C 3.58Å; L2401-N2412 WeakPolarHBondContact O-CB 3.3Å; L2401-I2413 WeakPolarHBondContact O-CA 3.31Å; L2401-I2413 PolarHBondContact O-N 2.77Å; L2401-S2414 WeakPolarHBondContact O-CB 3.42Å | ||
| 2402 | T | 19.1 | Very low | 22.3 | Very low | 77 Ų | 77 | 109.6 Ų | 109.6 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | cis | 93.4 | 100.5 | 29 | 68.3 | 0 | 0 | 0 | 0 | 115.7 | N2412 | T2402-N2412 CarbonylContact C-O 3.59Å; T2402-N2412 VanDerWaalsContact CA-O 3.23Å; T2402-N2412 WeakPolarHBondContact CA-O 3.21Å; T2402-N2412 PolarHBondContact N-O 2.81Å; T2402-N2412 WeakPolarHBondContact O-CB 3.39Å | ||
| 2403 | S | 21.1 | Very low | 22.2 | Very low | 58 Ų | 58 | 113 Ų | 113 | 41% | 0.406 | 60% | 0.595 | S | S | . | * | trans | 65 | 148.4 | 168.9 | 86.9 | 0 | 0 | 0 | 0 | 118.3 | R2411 N2412 | S2403-R2411 CarbonylContact C-O 3.52Å; S2403-R2411 CarbonylContact O-C 3.3Å; S2403-R2411 WeakPolarHBondContact O-CB 3.48Å; S2403-N2412 PolarHBondContact N-O 3.49Å; S2403-N2412 VanDerWaalsContact O-CB 3.28Å; S2403-N2412 WeakPolarHBondContact O-CB 3.45Å; S2403-N2412 PolarHBondContact O-N 3.15Å | ||
| 2404 | F | 18.7 | Very low | 22 | Very low | 155 Ų | 155 | 108.7 Ų | 108.7 | 68% | 0.68 | 57% | 0.574 | S | S | * | * | cis | -176 | -178.7 | 14.7 | -132.1 | -171.1 | 0 | 0 | 0 | 115.7 | R2411 | F2404-R2411 PolarHBondContact N-O 3.19Å; F2404-R2411 VanDerWaalsContact N-O 3.12Å | ||
| 2405 | I | 24.1 | Very low | 21.6 | Very low | 154 Ų | 154 | 113.3 Ų | 113.3 | 79% | 0.79 | 60% | 0.596 | S | S | * | * | trans | -37.9 | 128.8 | 152.1 | -59.5 | 151.1 | 0 | 0 | 0 | 112.9 | ||||
| 2406 | G | 20.4 | Very low | 21.2 | Very low | 41 Ų | 41 | 118.3 Ų | 118.3 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | trans | 173.7 | 91.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V2408 W2409 | G2406-V2408 PolarHBondContact O-N 3.16Å; G2406-W2409 PolarHBondContact O-N 3.27Å | ||
| 2407 | G | 19.5 | Very low | 20.5 | Very low | 87 Ų | 87 | 121 Ų | 121 | 90% | 0.897 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 120.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2408 | V | 21.7 | Very low | 20.2 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 87% | 0.873 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -116.2 | 27 | 8.6 | -159.6 | 0 | 0 | 0 | 0 | 111.3 | G2406 | G2406-V2408 PolarHBondContact O-N 3.16Š|
| 2409 | W | 16.1 | Very low | 20.1 | Very low | 218 Ų | 218 | 125.8 Ų | 125.8 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | trans | -151 | 159.7 | -145.7 | -115 | 51.6 | 0 | 0 | 0 | 115.8 | G2406 | G2406-W2409 PolarHBondContact O-N 3.27Š| ||
| 2410 | S | 17.9 | Very low | 20.2 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 52% | 0.517 | 64% | 0.641 | S | S | . | * | trans | 70.1 | 129.5 | 159 | 79.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2411 | R | 19.7 | Very low | 20 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | trans | 67.5 | 143.5 | 158.7 | -62.5 | 165.1 | -179.1 | 172.4 | 0.7 | 113.1 | S2403 F2404 | S2403-R2411 CarbonylContact C-O 3.52Å; S2403-R2411 CarbonylContact O-C 3.3Å; S2403-R2411 WeakPolarHBondContact O-CB 3.48Å; F2404-R2411 PolarHBondContact N-O 3.19Å; F2404-R2411 VanDerWaalsContact N-O 3.12Å | ||
| 2412 | N | 20.2 | Very low | 20.6 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 38% | 0.38 | 66% | 0.664 | S | S | . | * | cis | 172.4 | 112.6 | -0.6 | -94.1 | -16 | 0 | 0 | 0 | 101.8 | L2401 T2402 S2403 | L2401-N2412 HydrophobicContact CB-CB 4.17Å; L2401-N2412 CarbonylContact O-C 3.58Å; L2401-N2412 WeakPolarHBondContact O-CB 3.3Å; T2402-N2412 CarbonylContact C-O 3.59Å; T2402-N2412 VanDerWaalsContact CA-O 3.23Å; T2402-N2412 WeakPolarHBondContact CA-O 3.21Å; T2402-N2412 PolarHBondContact N-O 2.81Å; T2402-N2412 WeakPolarHBondContact O-CB 3.39Å; S2403-N2412 PolarHBondContact N-O 3.49Å; S2403-N2412 VanDerWaalsContact O-CB 3.28Å; S2403-N2412 WeakPolarHBondContact O-CB 3.45Å; S2403-N2412 PolarHBondContact O-N 3.15Å | ||
| 2413 | I | 19.8 | Very low | 20.8 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -157.2 | 130.9 | 155.5 | -67.3 | -161.6 | 0 | 0 | 0 | 105.3 | L2401 | L2401-I2413 WeakPolarHBondContact O-CA 3.31Å; L2401-I2413 PolarHBondContact O-N 2.77Å | ||
| 2414 | S | 19.2 | Very low | 21.1 | Very low | 30 Ų | 30 | 125.8 Ų | 125.8 | 21% | 0.21 | 65% | 0.652 | C | S | . | * | cis | 94.6 | 63.3 | 15 | -170.5 | 0 | 0 | 0 | 0 | 118.6 | V2400 L2401 | V2400-S2414 WeakPolarHBondContact CA-OG 3.41Å; V2400-S2414 VanDerWaalsContact CG1-OG 3.23Å; V2400-S2414 WeakPolarHBondContact CG1-OG 3.3Å; L2401-S2414 WeakPolarHBondContact O-CB 3.42Å | ||
| 2415 | L | 19.8 | Very low | 21.5 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -163.1 | 132.2 | 132.9 | -92 | 136.7 | 0 | 0 | 0 | 104.2 | ||||
| 2416 | Q | 18.4 | Very low | 21.3 | Very low | 125 Ų | 125 | 116 Ų | 116 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | cis | 56.6 | 85.6 | 49 | -65.7 | -167.6 | -37.9 | 0 | 0 | 113 | V2400 | V2400-Q2416 VanDerWaalsContact CG2-CD 3.48Å; V2400-Q2416 HydrophobicContact CG2-CG 4.08Å; V2400-Q2416 VanDerWaalsContact CG2-OE1 3.27Å | ||
| 2417 | N | 24.1 | Very low | 21.4 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | -165.3 | 149.1 | 105.8 | -86.7 | -22.4 | 0 | 0 | 0 | 111.3 | |||||
| 2418 | Y | 19.9 | Very low | 21.4 | Very low | 219 Ų | 219 | 116.5 Ų | 116.5 | 86% | 0.859 | 58% | 0.58 | S | S | * | * | trans | -88.8 | 149 | 159.3 | -89.8 | -110.6 | 0 | 0 | 0 | 107.9 | ||||
| 2419 | M | 19.6 | Very low | 21.4 | Very low | 172 Ų | 172 | 116 Ų | 116 | 85% | 0.847 | 57% | 0.572 | S | S | * | * | 166.9 | 139.6 | 124 | -85.7 | 161.1 | -155.4 | 0 | 0 | 106.9 | |||||
| 2420 | D | 22.2 | Very low | 21.5 | Very low | 136 Ų | 136 | 108.3 Ų | 108.3 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | 70 | 73.2 | 53 | -147.6 | 19.8 | 0 | 0 | 0 | 112.6 | |||||
| 2421 | L | 21.9 | Very low | 21.6 | Very low | 159 Ų | 159 | 109.4 Ų | 109.4 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | trans | 49.9 | 102.7 | 135 | -59.3 | 172.9 | 0 | 0 | 0 | 118.3 | ||||
| 2422 | S | 28.8 | Very low | 21.6 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | trans | -142.6 | 176.4 | 137.6 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | C2470 | S2422-C2470 VanDerWaalsContact OG-CB 3.32Å; S2422-C2470 WeakPolarHBondContact OG-CB 2.97Å | ||
| 2423 | Q | 23.9 | Very low | 21.6 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -82.5 | -149.7 | 162.6 | -64.8 | -175.5 | -40.9 | 0 | 0 | 109.1 | E2425 C2470 | Q2423-E2425 PolarHBondContact O-N 3.24Å; Q2423-C2470 VanDerWaalsContact C-CB 3.43Å; Q2423-C2470 VanDerWaalsContact CA-SG 3.53Å; Q2423-C2470 PolarHBondContact N-SG 2.83Å; Q2423-C2470 WeakPolarHBondContact O-CB 3.33Å; Q2423-C2470 PolarHBondContact O-SG 2.82Å |
| 2424 | Q | 27 | Very low | 21.5 | Very low | 19 Ų | 19 | 104.2 Ų | 104.2 | 9% | 0.089 | 56% | 0.556 | C | S | . | * | S | Bend | trans | 36.4 | 32.5 | 170.2 | -45.4 | 137.7 | 22.7 | 0 | 0 | 117 | C2295 E2296 L2467 S2469 C2470 Q2471 | C2295-Q2424 HydrophobicContact CB-CB 3.95Å; C2295-Q2424 HydrophobicContact CB-CG 3.98Å; C2295-Q2424 WeakPolarHBondContact O-CB 3.45Å; C2295-Q2424 PolarHBondContact O-OE1 3.16Å; E2296-Q2424 VanDerWaalsContact CA-OE1 3.29Å; Q2424-L2467 HydrophobicContact CB-CD2 4.49Å; Q2424-S2469 CarbonylContact O-C 3.49Å; Q2424-S2469 VanDerWaalsContact O-C 3.3Å; Q2424-S2469 PolarHBondContact O-N 2.83Å; Q2424-S2469 VanDerWaalsContact O-N 3.1Å; Q2424-S2469 VanDerWaalsContact O-O 3.05Å; Q2424-C2470 HydrophobicContact CB-CB 3.51Å; Q2424-C2470 HydrophobicContact CG-CB 4.16Å; Q2424-C2470 PolarHBondContact OE1-SG 2.78Å; Q2424-Q2471 PolarHBondContact NE2-O 2.87Å; Q2424-Q2471 PolarHBondContact OE1-O 2.87Å |
| 2425 | E | 26.6 | Very low | 21.6 | Very low | 84 Ų | 84 | 106 Ų | 106 | 39% | 0.393 | 56% | 0.563 | S | S | . | * | trans | -149.2 | 61.2 | 179.6 | -173.5 | 118.8 | -121.1 | 0 | 0 | 107.9 | Q2423 L2427 L2467 L2468 S2469 | Q2423-E2425 PolarHBondContact O-N 3.24Å; E2425-L2427 PolarHBondContact O-N 3.42Å; E2425-L2467 CarbonylContact C-O 3.58Å; E2425-L2467 VanDerWaalsContact CA-C 3.49Å; E2425-L2467 WeakPolarHBondContact CA-O 3.3Å; E2425-L2467 WeakPolarHBondContact CG-O 3.22Å; E2425-L2468 VanDerWaalsContact OE1-CA 3.29Å; E2425-L2468 WeakPolarHBondContact OE1-CA 3.42Å; E2425-L2468 PolarHBondContact OE1-N 2.79Å; E2425-S2469 PolarHBondContact OE1-N 2.87Å; E2425-S2469 VanDerWaalsContact OE1-N 3.13Å; E2425-S2469 VanDerWaalsContact OE2-CA 3.22Å; E2425-S2469 WeakPolarHBondContact OE2-CA 3.41Å; E2425-S2469 PolarHBondContact OE2-N 2.92Å | ||
| 2426 | S | 20.9 | Very low | 21.7 | Very low | 21 Ų | 21 | 105 Ų | 105 | 15% | 0.147 | 56% | 0.559 | C | S | . | * | trans | -76.1 | 106.4 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | G2465 D2466 L2467 | S2426-G2465 CarbonylContact O-C 2.93Å; S2426-G2465 VanDerWaalsContact O-C 3.24Å; S2426-D2466 CarbonylContact O-C 3.58Å; S2426-D2466 WeakPolarHBondContact O-CA 3.26Å; S2426-D2466 PolarHBondContact O-N 3.24Å; S2426-L2467 CarbonylContact C-O 3.53Å; S2426-L2467 PolarHBondContact N-O 3.27Å; S2426-L2467 PolarHBondContact O-N 3.18Å; S2426-L2467 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 2427 | L | 21.4 | Very low | 21.8 | Very low | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | trans | -72.6 | 145.9 | -169 | -155.1 | 81.1 | 0 | 0 | 0 | 114.8 | E2425 L2429 D2466 | E2425-L2427 PolarHBondContact O-N 3.42Å; L2427-L2429 PolarHBondContact O-N 3.27Å; L2427-D2466 VanDerWaalsContact CA-OD1 3.31Å; L2427-D2466 WeakPolarHBondContact CA-OD1 3.21Å; L2427-D2466 VanDerWaalsContact CD1-OD1 3.24Å; L2427-D2466 WeakPolarHBondContact CD1-OD1 3.33Å; L2427-D2466 WeakPolarHBondContact CG-OD1 3.06Å | ||
| 2428 | T | 20.5 | Very low | 21.5 | Very low | 20 Ų | 20 | 99.4 Ų | 99.4 | 12% | 0.123 | 54% | 0.539 | C | S | . | . | trans | -65.6 | 119.9 | 167.2 | -68 | 0 | 0 | 0 | 0 | 111.1 | E2291 A2430 D2466 | E2291-T2428 HydrophobicContact CG-CG2 4.44Å; E2291-T2428 VanDerWaalsContact CG-OG1 3.31Å; E2291-T2428 WeakPolarHBondContact CG-OG1 3.38Å; T2428-A2430 HydrophobicContact CG2-CB 3.29Å; T2428-D2466 WeakPolarHBondContact CB-OD2 3.25Å; T2428-D2466 VanDerWaalsContact N-CG 3.29Å; T2428-D2466 PolarHBondContact N-OD1 2.92Å; T2428-D2466 WeakPolarHBondContact OG1-CB 3.39Å; T2428-D2466 PolarHBondContact OG1-N 2.81Å; T2428-D2466 PolarHBondContact OG1-OD2 2.86Å | ||
| 2429 | L | 20.8 | Very low | 21.5 | Very low | 135 Ų | 135 | 95.8 Ų | 95.8 | 71% | 0.707 | 53% | 0.531 | S | S | * | . | -135.7 | 99.1 | 120.7 | -69.4 | 97.4 | 0 | 0 | 0 | 106.3 | L2427 | L2427-L2429 PolarHBondContact O-N 3.27Š| |||
| 2430 | A | 20 | Very low | 21.6 | Very low | 56 Ų | 56 | 94.7 Ų | 94.7 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | 46.6 | 124.6 | 71.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T2428 | T2428-A2430 HydrophobicContact CG2-CB 3.29Š| |||
| 2431 | A | 20.1 | Very low | 21.5 | Very low | 96 Ų | 96 | 93.5 Ų | 93.5 | 79% | 0.793 | 52% | 0.515 | S | S | * | . | trans | 21.8 | 139.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 2432 | A | 19.4 | Very low | 21.4 | Very low | 71 Ų | 71 | 92.9 Ų | 92.9 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | cis | -161.1 | 128 | 31.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2433 | I | 20 | Very low | 20.9 | Very low | 117 Ų | 117 | 94.1 Ų | 94.1 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | 63.7 | 114.3 | 117.1 | -71.1 | 174.5 | 0 | 0 | 0 | 112.6 | R2200 | R2200-I2433 PolarHBondContact NE-O 3.25Å; R2200-I2433 PolarHBondContact NH2-O 3.27Å | |||
| 2434 | R | 17.6 | Very low | 20.7 | Very low | 119 Ų | 119 | 91.7 Ų | 91.7 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | 170.6 | 141.1 | 56.2 | -146.4 | 170.5 | 136.3 | -146 | -8.9 | 109.4 | R2200 N2201 | R2200-R2434 VanDerWaalsContact CA-C 3.47Å; R2200-R2434 VanDerWaalsContact CA-CB 3.46Å; R2200-R2434 VanDerWaalsContact CA-O 3.25Å; R2200-R2434 WeakPolarHBondContact CA-O 3.48Å; R2200-R2434 HydrophobicContact CB-CB 3.54Å; R2200-R2434 HydrophobicContact CB-CG 3.69Å; R2200-R2434 HydrophobicContact CG-CB 3.62Å; R2200-R2434 HydrophobicContact CG-CG 4.28Å; R2200-R2434 PolarHBondContact N-O 2.74Å; R2200-R2434 PolarHBondContact O-NE 2.81Å; R2200-R2434 PolarHBondContact O-NH2 3.03Å; N2201-R2434 HydrophobicContact CB-CG 4.18Å; N2201-R2434 PolarHBondContact ND2-NE 2.94Å; N2201-R2434 PolarHBondContact ND2-NH2 3.16Å; N2201-R2434 VanDerWaalsContact OD1-CD 3.23Å; N2201-R2434 WeakPolarHBondContact OD1-CD 3.29Å; N2201-R2434 WeakPolarHBondContact OD1-CG 3.01Å; N2201-R2434 PolarHBondContact OD1-NE 2.8Å | |||
| 2435 | N | 21 | Very low | 20.5 | Very low | 67 Ų | 67 | 98.6 Ų | 98.6 | 36% | 0.358 | 56% | 0.564 | S | S | . | * | S | Bend | trans | 60.6 | 162.8 | -171.2 | -83.6 | -11.7 | 0 | 0 | 0 | 116.9 | K2199 R2200 N2201 | K2199-N2435 WeakPolarHBondContact O-CB 3.41Å; R2200-N2435 VanDerWaalsContact C-CG 3.48Å; R2200-N2435 VanDerWaalsContact N-CG 3.35Å; R2200-N2435 PolarHBondContact N-ND2 3.2Å; N2201-N2435 WeakPolarHBondContact CA-OD1 3.47Å; N2201-N2435 PolarHBondContact N-OD1 2.93Å; N2201-N2435 PolarHBondContact O-OD1 2.87Å; N2201-N2435 VanDerWaalsContact O-OD1 3.06Å |
| 2436 | D | 21.7 | Very low | 20.1 | Very low | 130 Ų | 130 | 102.7 Ų | 102.7 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 60.8 | 60.3 | 148.5 | -62.4 | -0.2 | 0 | 0 | 0 | 114.4 | ||
| 2437 | V | 21.4 | Very low | 20 | Very low | 102 Ų | 102 | 107.8 Ų | 107.8 | 62% | 0.618 | 60% | 0.6 | S | S | * | * | 67 | 108.6 | 120.7 | 171.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2438 | V | 17.6 | Very low | 20 | Very low | 63 Ų | 63 | 106.9 Ų | 106.9 | 38% | 0.382 | 60% | 0.604 | S | S | . | * | trans | 50.2 | 104.4 | 132.9 | -176.1 | 0 | 0 | 0 | 0 | 114.7 | F2204 F2440 | F2204-V2438 HydrophobicContact CE2-CG2 3.85Å; F2204-V2438 HydrophobicContact CZ-CG2 3.75Å; V2438-F2440 HydrophobicContact CG1-CD2 3.51Å; V2438-F2440 HydrophobicContact CG1-CE2 3.95Å; V2438-F2440 HydrophobicContact CG1-CG 4.25Å | ||
| 2439 | M | 18.7 | Very low | 20.1 | Very low | 143 Ų | 143 | 110.9 Ų | 110.9 | 70% | 0.704 | 63% | 0.632 | S | S | * | * | cis | 44.3 | 57.9 | 29.7 | -86.6 | -68.6 | -84.6 | 0 | 0 | 113 | ||||
| 2440 | F | 22.7 | Very low | 20.2 | Very low | 148 Ų | 148 | 109.7 Ų | 109.7 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | -71.8 | 110.5 | 119 | -73.5 | -91.3 | 0 | 0 | 0 | 103.9 | V2438 | V2438-F2440 HydrophobicContact CG1-CD2 3.51Å; V2438-F2440 HydrophobicContact CG1-CE2 3.95Å; V2438-F2440 HydrophobicContact CG1-CG 4.25Å | |||
| 2441 | L | 19.2 | Very low | 20.4 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | 59 | 120.7 | 67.7 | -59.6 | 164.9 | 0 | 0 | 0 | 110.3 | |||||
| 2442 | L | 19.4 | Very low | 20.4 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | 56.7 | 133 | 58.3 | -61.7 | 171.5 | 0 | 0 | 0 | 111.5 | |||||
| 2443 | A | 20.1 | Very low | 20.3 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 79% | 0.793 | 63% | 0.629 | S | S | * | * | cis | -138.7 | -163.7 | -13.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2444 | G | 18.2 | Very low | 20.2 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | 117.6 | 109.2 | 59.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2445 | Q | 23.3 | Very low | 20.2 | Very low | 165 Ų | 165 | 116 Ų | 116 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | trans | -61 | 145.9 | -170.8 | -58.7 | 163 | -55.6 | 0 | 0 | 114 | I2447 R2459 | Q2445-I2447 HydrophobicContact CB-CD1 4.42Å; Q2445-R2459 PolarHBondContact O-NH2 3.32Å | ||
| 2446 | R | 18.1 | Very low | 20.1 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 64% | 0.638 | 64% | 0.641 | S | S | * | * | trans | -145.5 | 129 | 139.3 | -130 | 171.3 | -162.6 | 178.5 | 2.2 | 106.6 | ||||
| 2447 | I | 19.4 | Very low | 20 | Very low | 129 Ų | 129 | 114 Ų | 114 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | cis | 80.9 | 136.2 | 35.9 | -56.5 | 170 | 0 | 0 | 0 | 112.6 | Q2445 | Q2445-I2447 HydrophobicContact CB-CD1 4.42Š| ||
| 2448 | S | 19.7 | Very low | 19.9 | Very low | 98 Ų | 98 | 113.4 Ų | 113.4 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | trans | 64.5 | 105 | 172.4 | 56.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2449 | S | 23.4 | Very low | 20 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | trans | -67.1 | 176.9 | 135.9 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2450 | V | 22.4 | Very low | 20.2 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | trans | 69.1 | 153.6 | 171 | -123.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2451 | Y | 24.8 | Very low | 20.4 | Very low | 156 Ų | 156 | 110.3 Ų | 110.3 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | trans | 82.4 | 88.6 | 160.5 | -54.7 | -15.4 | 0 | 0 | 0 | 117.7 | I2305 L2453 | I2305-Y2451 HydrophobicContact CB-CD1 3.7Å; I2305-Y2451 HydrophobicContact CB-CE1 3.54Å; I2305-Y2451 HydrophobicContact CB-CG 4.36Å; I2305-Y2451 HydrophobicContact CD1-CD1 3.96Å; I2305-Y2451 HydrophobicContact CD1-CD2 3.62Å; I2305-Y2451 HydrophobicContact CD1-CE1 4.04Å; I2305-Y2451 HydrophobicContact CD1-CE2 3.71Å; I2305-Y2451 HydrophobicContact CD1-CG 3.73Å; I2305-Y2451 HydrophobicContact CG1-CD1 3.37Å; I2305-Y2451 HydrophobicContact CG1-CD2 3.97Å; I2305-Y2451 HydrophobicContact CG1-CE1 3.65Å; I2305-Y2451 HydrophobicContact CG1-CE2 4.22Å; I2305-Y2451 HydrophobicContact CG1-CG 3.52Å; I2305-Y2451 HydrophobicContact CG2-CD1 3.58Å; I2305-Y2451 HydrophobicContact CG2-CE1 3.65Å; Y2451-L2453 PolarHBondContact O-N 3.37Å | ||
| 2452 | Q | 21.1 | Very low | 20.6 | Very low | 185 Ų | 185 | 108.2 Ų | 108.2 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | trans | -69.4 | 117 | 157.8 | -72.1 | 176.5 | -43.2 | 0 | 0 | 110.2 | ||||
| 2453 | L | 16.9 | Very low | 20.8 | Very low | 63 Ų | 63 | 101.7 Ų | 101.7 | 33% | 0.33 | 58% | 0.582 | S | S | . | * | trans | -161 | 130 | 141 | -113.6 | 137.8 | 0 | 0 | 0 | 109.2 | L2302 N2303 E2304 Y2451 G2455 | L2302-L2453 HydrophobicContact CD2-CB 4.15Å; N2303-L2453 HydrophobicContact CB-CD1 3.83Å; N2303-L2453 HydrophobicContact CB-CD2 4.14Å; N2303-L2453 WeakPolarHBondContact O-CD1 3.22Å; E2304-L2453 HydrophobicContact CB-CD1 3.94Å; Y2451-L2453 PolarHBondContact O-N 3.37Å; L2453-G2455 PolarHBondContact O-N 2.85Å | ||
| 2454 | P | 18 | Very low | 21.2 | Very low | 138 Ų | 138 | 101.8 Ų | 101.8 | 90% | 0.896 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -70.5 | 97.9 | -172.8 | 27.4 | -35.8 | 0 | 0 | 0 | 111.6 | ||
| 2455 | G | 17.3 | Very low | 21.6 | Very low | 48 Ų | 48 | 98.8 Ų | 98.8 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | trans | -178 | 167.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2453 | L2453-G2455 PolarHBondContact O-N 2.85Š| ||
| 2456 | K | 19.2 | Very low | 21.8 | Very low | 65 Ų | 65 | 93 Ų | 93 | 28% | 0.283 | 51% | 0.512 | S | S | . | . | trans | 66.4 | 57.4 | 171.7 | -44.5 | -164.5 | -179.7 | -176.2 | 0 | 113 | V2300 S2301 L2302 | V2300-K2456 VanDerWaalsContact C-CE 3.42Å; V2300-K2456 HydrophobicContact CG1-CD 3.37Å; V2300-K2456 HydrophobicContact CG1-CG 3.79Å; V2300-K2456 WeakPolarHBondContact O-CE 3.42Å; V2300-K2456 PolarHBondContact O-NZ 2.85Å; S2301-K2456 WeakPolarHBondContact O-CE 3.23Å; L2302-K2456 HydrophobicContact CD1-CD 3.72Å; L2302-K2456 HydrophobicContact CG-CD 3.79Å; L2302-K2456 VanDerWaalsContact CG-CE 3.47Å; L2302-K2456 HydrophobicContact CG-CG 4.47Å | ||
| 2457 | I | 19 | Very low | 22.2 | Very low | 90 Ų | 90 | 85.4 Ų | 85.4 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | 77 | 127.3 | 85.4 | -66 | 160.7 | 0 | 0 | 0 | 111 | I2297 V2300 | I2297-I2457 HydrophobicContact CD1-CG2 4.14Å; V2300-I2457 HydrophobicContact CG2-CD1 4.15Å | |||
| 2458 | L | 18.5 | Very low | 22.8 | Very low | 90 Ų | 90 | 82.5 Ų | 82.5 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | trans | 14.9 | 103.4 | 170.6 | -79.7 | 72.3 | 0 | 0 | 0 | 115.9 | G2460 I2461 | L2458-G2460 PolarHBondContact O-N 2.87Å; L2458-I2461 HydrophobicContact CD2-CD1 3.92Å; L2458-I2461 HydrophobicContact CD2-CG1 4.08Å | ||
| 2459 | R | 20.3 | Very low | 23.2 | Very low | 135 Ų | 135 | 80 Ų | 80 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -64.5 | 117.5 | 139.8 | -150.8 | 178.1 | -160.4 | -174.6 | 3.1 | 105.3 | Q2445 | Q2445-R2459 PolarHBondContact O-NH2 3.32Š|
| 2460 | G | 23 | Very low | 23.7 | Very low | 54 Ų | 54 | 76.5 Ų | 76.5 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 154.2 | -153.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L2458 A2462 | L2458-G2460 PolarHBondContact O-N 2.87Å; G2460-A2462 PolarHBondContact O-N 2.76Å |
| 2461 | I | 26.4 | Very low | 24.2 | Very low | 100 Ų | 100 | 76.2 Ų | 76.2 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 126.6 | 169.9 | -64.3 | 156.3 | 0 | 0 | 0 | 108.5 | L2458 | L2458-I2461 HydrophobicContact CD2-CD1 3.92Å; L2458-I2461 HydrophobicContact CD2-CG1 4.08Å |
| 2462 | A | 23.3 | Very low | 24.6 | Very low | 68 Ų | 68 | 72 Ų | 72 | 56% | 0.562 | 41% | 0.41 | S | S | * | . | trans | -110.2 | 98.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | G2460 | G2460-A2462 PolarHBondContact O-N 2.76Š| ||
| 2463 | A | 24.6 | Very low | 25.4 | Very low | 10 Ų | 10 | 71.4 Ų | 71.4 | 8% | 0.083 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 145 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | F2288 G2465 | F2288-A2463 WeakPolarHBondContact O-CA 3.42Å; A2463-G2465 WeakPolarHBondContact CB-O 3.31Å; A2463-G2465 PolarHBondContact O-N 2.82Å |
| 2464 | D | 27.6 | Very low | 26 | Very low | 98 Ų | 98 | 73.1 Ų | 73.1 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 58.4 | 157.6 | -61.6 | -40.4 | 0 | 0 | 0 | 108.5 | F2288 G2290 | F2288-D2464 PolarHBondContact O-N 2.76Å; G2290-D2464 PolarHBondContact N-O 3.01Å |
| 2465 | G | 27.3 | Very low | 26.5 | Very low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | 175.5 | 129.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | G2290 S2426 A2463 L2467 | G2290-G2465 WeakPolarHBondContact O-CA 3.47Å; S2426-G2465 CarbonylContact O-C 2.93Å; S2426-G2465 VanDerWaalsContact O-C 3.24Å; A2463-G2465 WeakPolarHBondContact CB-O 3.31Å; A2463-G2465 PolarHBondContact O-N 2.82Å; G2465-L2467 PolarHBondContact O-N 3Å |
| 2466 | D | 27.3 | Very low | 26.8 | Very low | 42 Ų | 42 | 76.7 Ų | 76.7 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | trans | -52.6 | 101.9 | -172.5 | -81 | -36.2 | 0 | 0 | 0 | 114.3 | I2292 E2293 S2426 L2427 T2428 L2468 | I2292-D2466 CarbonylContact C-O 3.52Å; I2292-D2466 PolarHBondContact N-O 3.43Å; I2292-D2466 CarbonylContact O-C 3.55Å; I2292-D2466 VanDerWaalsContact O-C 3.3Å; E2293-D2466 WeakPolarHBondContact CA-O 3.42Å; E2293-D2466 PolarHBondContact N-O 2.8Å; S2426-D2466 CarbonylContact O-C 3.58Å; S2426-D2466 WeakPolarHBondContact O-CA 3.26Å; S2426-D2466 PolarHBondContact O-N 3.24Å; L2427-D2466 VanDerWaalsContact CA-OD1 3.31Å; L2427-D2466 WeakPolarHBondContact CA-OD1 3.21Å; L2427-D2466 VanDerWaalsContact CD1-OD1 3.24Å; L2427-D2466 WeakPolarHBondContact CD1-OD1 3.33Å; L2427-D2466 WeakPolarHBondContact CG-OD1 3.06Å; T2428-D2466 WeakPolarHBondContact CB-OD2 3.25Å; T2428-D2466 VanDerWaalsContact N-CG 3.29Å; T2428-D2466 PolarHBondContact N-OD1 2.92Å; T2428-D2466 WeakPolarHBondContact OG1-CB 3.39Å; T2428-D2466 PolarHBondContact OG1-N 2.81Å; T2428-D2466 PolarHBondContact OG1-OD2 2.86Å; D2466-L2468 HydrophobicContact CB-CD2 3.92Å; D2466-L2468 HydrophobicContact CB-CG 4.19Å | ||
| 2467 | L | 25.9 | Very low | 26.9 | Very low | 10 Ų | 10 | 81.3 Ų | 81.3 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | -85.2 | 154.7 | 129.2 | -75.7 | 77.9 | 0 | 0 | 0 | 107 | I2292 K2294 C2295 Q2424 E2425 S2426 G2465 | I2292-L2467 HydrophobicContact CB-CD1 4Å; I2292-L2467 HydrophobicContact CG2-CD1 4.26Å; I2292-L2467 WeakPolarHBondContact O-CA 3.37Å; I2292-L2467 WeakPolarHBondContact O-CD1 3.42Å; I2292-L2467 WeakPolarHBondContact O-CG 3.39Å; I2292-L2467 PolarHBondContact O-N 2.6Å; I2292-L2467 VanDerWaalsContact O-N 3.15Å; K2294-L2467 VanDerWaalsContact C-CD2 3.44Å; C2295-L2467 HydrophobicContact CB-CD2 3.52Å; Q2424-L2467 HydrophobicContact CB-CD2 4.49Å; E2425-L2467 CarbonylContact C-O 3.58Å; E2425-L2467 VanDerWaalsContact CA-C 3.49Å; E2425-L2467 WeakPolarHBondContact CA-O 3.3Å; E2425-L2467 WeakPolarHBondContact CG-O 3.22Å; S2426-L2467 CarbonylContact C-O 3.53Å; S2426-L2467 PolarHBondContact N-O 3.27Å; S2426-L2467 PolarHBondContact O-N 3.18Å; S2426-L2467 WeakPolarHBondContact OG-CD1 3.43Å; G2465-L2467 PolarHBondContact O-N 3Å | |||
| 2468 | L | 32.8 | Very low | 26.9 | Very low | 68 Ų | 68 | 85.2 Ų | 85.2 | 36% | 0.356 | 44% | 0.44 | S | S | . | . | cis | 138.2 | -11.1 | -17.8 | 41.2 | 150.8 | 0 | 0 | 0 | 116.2 | E2293 E2425 D2466 | E2293-L2468 HydrophobicContact CB-CD1 4.19Å; E2293-L2468 HydrophobicContact CG-CD1 4.16Å; E2293-L2468 WeakPolarHBondContact O-CA 3.12Å; E2293-L2468 VanDerWaalsContact O-CB 3.31Å; E2293-L2468 WeakPolarHBondContact O-CB 3.16Å; E2425-L2468 VanDerWaalsContact OE1-CA 3.29Å; E2425-L2468 WeakPolarHBondContact OE1-CA 3.42Å; E2425-L2468 PolarHBondContact OE1-N 2.79Å; D2466-L2468 HydrophobicContact CB-CD2 3.92Å; D2466-L2468 HydrophobicContact CB-CG 4.19Å | ||
| 2469 | S | 28.3 | Very low | 27.1 | Very low | 47 Ų | 47 | 83.7 Ų | 83.7 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | trans | 103.1 | 152.2 | 169.2 | 76.1 | 0 | 0 | 0 | 0 | 120.7 | K2294 Q2424 E2425 | K2294-S2469 VanDerWaalsContact CE-OG 3.3Å; K2294-S2469 WeakPolarHBondContact CE-OG 3.38Å; Q2424-S2469 CarbonylContact O-C 3.49Å; Q2424-S2469 VanDerWaalsContact O-C 3.3Å; Q2424-S2469 PolarHBondContact O-N 2.83Å; Q2424-S2469 VanDerWaalsContact O-N 3.1Å; Q2424-S2469 VanDerWaalsContact O-O 3.05Å; E2425-S2469 PolarHBondContact OE1-N 2.87Å; E2425-S2469 VanDerWaalsContact OE1-N 3.13Å; E2425-S2469 VanDerWaalsContact OE2-CA 3.22Å; E2425-S2469 WeakPolarHBondContact OE2-CA 3.41Å; E2425-S2469 PolarHBondContact OE2-N 2.92Å | ||
| 2470 | C | 33.5 | Very low | 27.1 | Very low | 29 Ų | 29 | 85.1 Ų | 85.1 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | trans | -146.1 | 149.9 | -158.9 | 179.6 | 0 | 0 | 0 | 0 | 119.5 | S2422 Q2423 Q2424 | S2422-C2470 VanDerWaalsContact OG-CB 3.32Å; S2422-C2470 WeakPolarHBondContact OG-CB 2.97Å; Q2423-C2470 VanDerWaalsContact C-CB 3.43Å; Q2423-C2470 VanDerWaalsContact CA-SG 3.53Å; Q2423-C2470 PolarHBondContact N-SG 2.83Å; Q2423-C2470 WeakPolarHBondContact O-CB 3.33Å; Q2423-C2470 PolarHBondContact O-SG 2.82Å; Q2424-C2470 HydrophobicContact CB-CB 3.51Å; Q2424-C2470 HydrophobicContact CG-CB 4.16Å; Q2424-C2470 PolarHBondContact OE1-SG 2.78Å | ||
| 2471 | Q | 34.3 | Very low | 27 | Very low | 104 Ų | 104 | 89.6 Ų | 89.6 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | trans | -145.4 | 161.7 | 160.2 | -67.1 | -168.1 | -5.3 | 0 | 0 | 114.3 | Q2424 | Q2424-Q2471 PolarHBondContact NE2-O 2.87Å; Q2424-Q2471 PolarHBondContact OE1-O 2.87Å | ||
| 2472 | V | 33.2 | Very low | 26.8 | Very low | 68 Ų | 68 | 92 Ų | 92 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | trans | -150.6 | 141.9 | 163.2 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | I2297 V2300 | I2297-V2472 HydrophobicContact CB-CG2 4.45Å; I2297-V2472 WeakPolarHBondContact O-CA 3.28Å; V2300-V2472 HydrophobicContact CG2-CG1 3.59Å | ||
| 2473 | R | 36.2 | Very low | 26.8 | Very low | 173 Ų | 173 | 98 Ų | 98 | 65% | 0.653 | 48% | 0.479 | S | S | * | . | trans | -110 | -45.8 | -163.6 | -64.2 | -173.1 | 178.2 | 169.9 | 5 | 120.4 | S2298 | S2298-R2473 PolarHBondContact O-N 2.8Š| ||
| 2474 | T | 30.4 | Very low | 26.7 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | B | Isolated β-bridge | trans | -157 | 158.4 | -168.7 | 0.9 | 0 | 0 | 0 | 0 | 116.8 | V2300 | V2300-T2474 PolarHBondContact N-O 2.78Å |
| 2475 | V | 27.7 | Very low | 26.7 | Very low | 96 Ų | 96 | 107.3 Ų | 107.3 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | trans | -143.8 | 145 | -176.5 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | V2300 | V2300-V2475 HydrophobicContact CB-CG2 4.32Å; V2300-V2475 HydrophobicContact CG1-CG2 4.2Å; V2300-V2475 WeakPolarHBondContact O-CA 3.4Å; V2300-V2475 WeakPolarHBondContact O-CG2 3.49Å | ||
| 2476 | Q | 24.6 | Very low | 26.6 | Very low | 165 Ų | 165 | 113.3 Ų | 113.3 | 77% | 0.771 | 56% | 0.56 | S | S | * | * | trans | -145 | 174.9 | 177.2 | -84.2 | -174.9 | -23.4 | 0 | 0 | 113 | L2302 | L2302-Q2476 PolarHBondContact N-O 2.91Š| ||
| 2477 | W | 19.8 | Very low | 26.6 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 61% | 0.614 | 59% | 0.588 | S | S | * | * | trans | -153.2 | 143.3 | -171.1 | -135.9 | 59.7 | 0 | 0 | 0 | 115.3 | L2302 I2305 | L2302-W2477 WeakPolarHBondContact O-CA 3.34Å; L2302-W2477 VanDerWaalsContact O-CD1 3.27Å; I2305-W2477 HydrophobicContact CD1-CZ2 3.72Å | ||
| 2478 | K | 20.9 | Very low | 26.6 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -160.8 | 176.3 | 176.4 | -98.2 | -171.6 | 179.6 | -175.8 | 0 | 114.5 | E2304 | E2304-K2478 WeakPolarHBondContact CA-O 3.35Å; E2304-K2478 WeakPolarHBondContact CB-O 3.4Å; E2304-K2478 PolarHBondContact N-O 2.82Å | ||
| 2479 | G | 20.9 | Very low | 26.3 | Very low | 57 Ų | 57 | 130.9 Ų | 130.9 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | -132.2 | 167.8 | -162.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2480 | F | 22.2 | Very low | 26.2 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | trans | 93.8 | 131 | 159.2 | -81.5 | -77 | 0 | 0 | 0 | 127.5 | E2304 | E2304-F2480 WeakPolarHBondContact OE1-CA 3.31Å; E2304-F2480 PolarHBondContact OE1-N 3.24Å; E2304-F2480 VanDerWaalsContact OE1-N 3.1Å | ||
| 2481 | E | 20 | Very low | 26.2 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | 103.7 | 134.6 | 135.4 | -80 | -168.4 | 169.6 | 0 | 0 | 129.6 | ||||
| 2482 | F | 22.5 | Very low | 26.1 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | trans | 63.3 | 142.3 | 143 | -82.9 | -65.1 | 0 | 0 | 0 | 132.5 | ||||
| 2483 | Y | 22.1 | Very low | 25.9 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | 68.4 | 133.3 | 141.1 | -78.5 | -51.7 | 0 | 0 | 0 | 131.1 | ||||
| 2484 | K | 22.8 | Very low | 25.4 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 60.3 | 116.7 | 138.8 | -81.1 | -165 | 173.9 | 178.3 | 0 | 130.2 | ||||
| 2485 | T | 27.9 | Very low | 25.2 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | 60.5 | 139.4 | 119.1 | -26.7 | 0 | 0 | 0 | 0 | 128.4 | |||||
| 2486 | V | 24.3 | Very low | 25.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 132.4 | 127.7 | 136.7 | 175.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2487 | K | 28.1 | Very low | 25.1 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | 24.5 | 158.6 | 150.8 | -65.5 | -177.1 | 170.9 | -176.9 | 0 | 129.4 | ||||
| 2488 | M | 27.1 | Very low | 25.3 | Very low | 165 Ų | 165 | 147 Ų | 147 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 98.6 | 165.6 | 148.3 | -66.5 | -147.3 | 164 | 0 | 0 | 122.1 | ||||
| 2489 | L | 26.1 | Very low | 25.7 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | -174.5 | 163.2 | -63.4 | -102.3 | 174.9 | 0 | 0 | 0 | 114.5 | |||||
| 2490 | N | 25.3 | Very low | 25.8 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 160.9 | 161.7 | -71.5 | 41.6 | 0 | 0 | 0 | 119.9 | ||||
| 2491 | D | 34.1 | Very low | 25.7 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -166.9 | -177.5 | -7.9 | -126.2 | -38.6 | 0 | 0 | 0 | 115.2 | ||||
| 2492 | V | 31.8 | Very low | 25.8 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 84.7 | 145.2 | 146.6 | 149.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2493 | P | 28.1 | Very low | 25.8 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -133.5 | -125.9 | -139.2 | 38.8 | -13.1 | 0 | 0 | 0 | 117.4 | ||||
| 2494 | P | 26.5 | Very low | 26 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | -125.9 | -131.5 | -135.6 | 40.9 | -16.4 | 0 | 0 | 0 | 114.3 | ||||
| 2495 | I | 27.3 | Very low | 26 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 78.2 | 89.4 | -175.8 | -56.7 | 176.9 | 0 | 0 | 0 | 112.1 | ||||
| 2496 | A | 25.1 | Very low | 25.7 | Very low | 81 Ų | 81 | 141.8 Ų | 141.8 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | 92.2 | 129.6 | 92.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2497 | R | 23.6 | Very low | 25.7 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | 48.6 | 121.3 | 75.6 | -83.7 | 179.8 | 176.1 | 163.2 | -0.4 | 112.5 | |||||
| 2498 | R | 23.6 | Very low | 26 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 85.8 | 50.2 | 160.1 | -54.9 | 168.8 | 179.9 | 171.1 | -1.7 | 118.6 | L2500 | R2498-L2500 HydrophobicContact CB-CB 4.4Å; R2498-L2500 HydrophobicContact CB-CD1 4.39Å; R2498-L2500 HydrophobicContact CG-CD1 4.03Å | ||
| 2499 | L | 29.4 | Very low | 26.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | -129.2 | 103.8 | 129.7 | -85.1 | 171.1 | 0 | 0 | 0 | 107.2 | Q2501 | L2499-Q2501 HydrophobicContact CD2-CB 4.06Š| |||
| 2500 | L | 23 | Very low | 26.2 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | cis | 61.1 | 45.2 | -4.6 | -136.7 | -177.8 | 0 | 0 | 0 | 116.4 | R2498 | R2498-L2500 HydrophobicContact CB-CB 4.4Å; R2498-L2500 HydrophobicContact CB-CD1 4.39Å; R2498-L2500 HydrophobicContact CG-CD1 4.03Å | ||
| 2501 | Q | 20 | Very low | 26.8 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -144.6 | 149.9 | 137.4 | -108.4 | 142.1 | 6.5 | 0 | 0 | 109.6 | L2499 | L2499-Q2501 HydrophobicContact CD2-CB 4.06Š| ||
| 2502 | S | 23.5 | Very low | 26.8 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | -79.2 | 149 | 178 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2503 | M | 21.6 | Very low | 26.5 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | trans | 72 | 145.9 | -177.8 | -50.6 | 155.4 | -171.6 | 0 | 0 | 109.6 | ||||
| 2504 | E | 26.2 | Very low | 26.4 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | cis | -118 | 175.6 | 34.1 | -78.1 | 178.1 | 137.6 | 0 | 0 | 117.5 | V2511 | E2504-V2511 HydrophobicContact CB-CG1 4.01Å; E2504-V2511 HydrophobicContact CG-CG1 4.05Å | ||
| 2505 | Y | 22.6 | Very low | 26.4 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | trans | -77.4 | 170.1 | -165.5 | -90.4 | -115.8 | 0 | 0 | 0 | 116 | K2507 V2511 | Y2505-K2507 VanDerWaalsContact C-N 3.33Å; Y2505-K2507 PolarHBondContact O-N 3Å; Y2505-V2511 CarbonylContact C-O 3.49Å; Y2505-V2511 VanDerWaalsContact C-O 3.26Å; Y2505-V2511 WeakPolarHBondContact CB-O 3.25Å; Y2505-V2511 CarbonylContact O-C 3.53Å | ||
| 2506 | A | 22.8 | Very low | 26.4 | Very low | 51 Ų | 51 | 135.7 Ų | 135.7 | 42% | 0.421 | 68% | 0.678 | S | S | . | * | S | Bend | trans | 53.8 | -21.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | F2512 | A2506-F2512 VanDerWaalsContact C-C 3.42Å; A2506-F2512 VanDerWaalsContact CB-CA 3.49Å; A2506-F2512 HydrophobicContact CB-CB 4Å |
| 2507 | K | 23.6 | Very low | 26.5 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 75.3 | 140 | 155.5 | -18.5 | 113.7 | -164.6 | 162 | 0 | 121.8 | Y2505 S2509 F2512 | Y2505-K2507 VanDerWaalsContact C-N 3.33Å; Y2505-K2507 PolarHBondContact O-N 3Å; K2507-S2509 PolarHBondContact O-OG 3.22Å; K2507-F2512 CarbonylContact C-O 3.59Å; K2507-F2512 WeakPolarHBondContact CA-O 3.26Å; K2507-F2512 PolarHBondContact N-O 2.71Å; K2507-F2512 PolarHBondContact N-OXT 2.78Å; K2507-F2512 CarbonylContact O-C 3.54Å |
| 2508 | P | 34.2 | Very low | 26.7 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 43 | -106.7 | -136.8 | -27.9 | 2.7 | 0 | 0 | 0 | 123.2 | E2510 F2512 | P2508-E2510 PolarHBondContact O-N 2.78Å; P2508-F2512 CarbonylContact C-O 3.5Å; P2508-F2512 WeakPolarHBondContact CA-O 3.29Å |
| 2509 | S | 33.6 | Very low | 26.9 | Very low | 46 Ų | 46 | 128.2 Ų | 128.2 | 32% | 0.322 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -7.9 | 63.9 | 156 | 22.9 | 0 | 0 | 0 | 0 | 120.2 | K2507 F2512 | K2507-S2509 PolarHBondContact O-OG 3.22Å; S2509-F2512 CarbonylContact C-O 3.47Å; S2509-F2512 WeakPolarHBondContact CA-O 3.48Å; S2509-F2512 VanDerWaalsContact CB-OXT 3.29Å; S2509-F2512 WeakPolarHBondContact CB-OXT 3.42Å; S2509-F2512 PolarHBondContact N-O 2.91Å; S2509-F2512 VanDerWaalsContact N-O 3.13Å; S2509-F2512 CarbonylContact O-C 3.58Å; S2509-F2512 WeakPolarHBondContact O-CA 3.23Å; S2509-F2512 WeakPolarHBondContact O-CB 3.32Å; S2509-F2512 WeakPolarHBondContact O-CD2 3.39Å; S2509-F2512 WeakPolarHBondContact O-CG 3.34Å; S2509-F2512 PolarHBondContact O-N 3.09Å; S2509-F2512 PolarHBondContact OG-OXT 3.46Å |
| 2510 | E | 24.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 71.9 | 64.7 | 155.7 | -47.1 | 129.7 | -143 | 0 | 0 | 115.8 | P2508 F2512 | P2508-E2510 PolarHBondContact O-N 2.78Å; E2510-F2512 PolarHBondContact O-N 2.69Å; E2510-F2512 VanDerWaalsContact O-N 3.15Å |
| 2511 | V | 37.3 | Very low | 27 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 49% | 0.485 | 64% | 0.642 | S | S | . | * | trans | 64.6 | 10.7 | -169.5 | -162.6 | 0 | 0 | 0 | 0 | 111.2 | E2504 Y2505 | E2504-V2511 HydrophobicContact CB-CG1 4.01Å; E2504-V2511 HydrophobicContact CG-CG1 4.05Å; Y2505-V2511 CarbonylContact C-O 3.49Å; Y2505-V2511 VanDerWaalsContact C-O 3.26Å; Y2505-V2511 WeakPolarHBondContact CB-O 3.25Å; Y2505-V2511 CarbonylContact O-C 3.53Å | ||
| 2512 | F | 34.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 122 Ų | 122 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | trans | -154.7 | 0 | -167 | 145.4 | 54.9 | 0 | 0 | 0 | 106.9 | A2506 K2507 P2508 S2509 E2510 | A2506-F2512 VanDerWaalsContact C-C 3.42Å; A2506-F2512 VanDerWaalsContact CB-CA 3.49Å; A2506-F2512 HydrophobicContact CB-CB 4Å; K2507-F2512 CarbonylContact C-O 3.59Å; K2507-F2512 WeakPolarHBondContact CA-O 3.26Å; K2507-F2512 PolarHBondContact N-O 2.71Å; K2507-F2512 PolarHBondContact N-OXT 2.78Å; K2507-F2512 CarbonylContact O-C 3.54Å; P2508-F2512 CarbonylContact C-O 3.5Å; P2508-F2512 WeakPolarHBondContact CA-O 3.29Å; S2509-F2512 CarbonylContact C-O 3.47Å; S2509-F2512 WeakPolarHBondContact CA-O 3.48Å; S2509-F2512 VanDerWaalsContact CB-OXT 3.29Å; S2509-F2512 WeakPolarHBondContact CB-OXT 3.42Å; S2509-F2512 PolarHBondContact N-O 2.91Å; S2509-F2512 VanDerWaalsContact N-O 3.13Å; S2509-F2512 CarbonylContact O-C 3.58Å; S2509-F2512 WeakPolarHBondContact O-CA 3.23Å; S2509-F2512 WeakPolarHBondContact O-CB 3.32Å; S2509-F2512 WeakPolarHBondContact O-CD2 3.39Å; S2509-F2512 WeakPolarHBondContact O-CG 3.34Å; S2509-F2512 PolarHBondContact O-N 3.09Å; S2509-F2512 PolarHBondContact OG-OXT 3.46Å; E2510-F2512 PolarHBondContact O-N 2.69Å; E2510-F2512 VanDerWaalsContact O-N 3.15Å |
Retrieved 2,512 of 2,512 residues in 1466.4 ms
(Link to these results)