| 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 | 22.1 | Very low | 51.5 | Low | 209 Ų | 209 | 50.1 Ų | 50.1 | 100% | 1.03 | 28% | 0.278 | S | S | * | . | 0 | 103 | 0 | -70.1 | 175.5 | -177.2 | 0 | 0 | 107.2 | T3 | M1-T3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 23.2 | Very low | 54.4 | Low | 68 Ų | 68 | 49.5 Ų | 49.5 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | trans | -92.1 | 89 | -179.8 | 156.7 | 0 | 0 | 0 | 0 | 108 | G4 | S2-G4 PolarHBondContact O-N 3.12Š| ||
| 3 | T | 28.7 | Very low | 56.9 | Low | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | trans | -64.5 | 105 | 177.9 | 28.4 | 0 | 0 | 0 | 0 | 109.8 | M1 Y5 | M1-T3 PolarHBondContact O-N 3.36Å; T3-Y5 HydrophobicContact CG2-CE2 4.22Å; T3-Y5 WeakPolarHBondContact O-CD2 3.43Å; T3-Y5 PolarHBondContact O-N 2.88Å; T3-Y5 WeakPolarHBondContact OG1-CE2 3.43Å | ||
| 4 | G | 31.1 | Very low | 59 | Low | 10 Ų | 10 | 50.4 Ų | 50.4 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | trans | -61.3 | 107.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S2 R249 | S2-G4 PolarHBondContact O-N 3.12Å; G4-R249 VanDerWaalsContact N-CZ 3.32Å; G4-R249 VanDerWaalsContact N-NE 3.12Å; G4-R249 PolarHBondContact O-NE 3.07Å; G4-R249 PolarHBondContact O-NH2 3.44Å | ||
| 5 | Y | 41.1 | Very low | 60.6 | Low | 43 Ų | 43 | 63 Ų | 63 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | trans | -108.8 | 147.4 | 179.2 | -75.2 | -69.5 | 0 | 0 | 0 | 112.2 | T3 M230 V238 | T3-Y5 HydrophobicContact CG2-CE2 4.22Å; T3-Y5 WeakPolarHBondContact O-CD2 3.43Å; T3-Y5 PolarHBondContact O-N 2.88Å; T3-Y5 WeakPolarHBondContact OG1-CE2 3.43Å; Y5-M230 HydrophobicContact CG-CE 4.24Å; Y5-V238 VanDerWaalsContact OH-CG1 3.22Å; Y5-V238 WeakPolarHBondContact OH-CG1 3.44Å | ||
| 6 | T | 44.6 | Very low | 62 | Low | 73 Ų | 73 | 62.3 Ų | 62.3 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | trans | -66.4 | 152.2 | 178 | -33.6 | 0 | 0 | 0 | 0 | 111.6 | M8 | T6-M8 PolarHBondContact O-N 3.1Š| ||
| 7 | F | 49.6 | Very low | 63 | Low | 47 Ų | 47 | 59.3 Ų | 59.3 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | trans | -54.4 | 130.7 | 176.4 | -76.5 | -86.6 | 0 | 0 | 0 | 111.9 | M9 I201 L258 | F7-M9 VanDerWaalsContact C-N 3.28Å; F7-M9 PolarHBondContact O-N 3.49Å; F7-I201 HydrophobicContact CE1-CG1 3.98Å; F7-L258 HydrophobicContact CD2-CD2 4.43Å; F7-L258 HydrophobicContact CE1-CD2 4.18Å; F7-L258 HydrophobicContact CE2-CB 4Å; F7-L258 HydrophobicContact CE2-CD2 3.48Å; F7-L258 VanDerWaalsContact CE2-CD2 3.48Å; F7-L258 HydrophobicContact CE2-CG 4.2Å; F7-L258 HydrophobicContact CZ-CB 3.99Å; F7-L258 HydrophobicContact CZ-CD1 3.86Å; F7-L258 HydrophobicContact CZ-CD2 3.35Å; F7-L258 HydrophobicContact CZ-CG 3.89Å | ||
| 8 | M | 67.8 | Low | 63.7 | Low | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.044 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -68.3 | -24.6 | 173.5 | -79.5 | -178.1 | 173.2 | 0 | 0 | 113.2 | T6 F91 S92 P94 R208 M230 | T6-M8 PolarHBondContact O-N 3.1Å; M8-F91 CarbonylContact O-C 3.48Å; M8-F91 WeakPolarHBondContact O-CA 3.38Å; M8-S92 PolarHBondContact O-N 3.41Å; M8-P94 HydrophobicContact CE-CB 4.1Å; M8-P94 HydrophobicContact CE-CG 3.64Å; M8-R208 HydrophobicContact SD-CB 3.63Å; M8-M230 HydrophobicContact CE-CE 3.7Å; M8-M230 HydrophobicContact CE-SD 3.62Å; M8-M230 HydrophobicContact CG-CE 4.13Å; M8-M230 HydrophobicContact CG-SD 3.88Å; M8-M230 HydrophobicContact SD-CE 4.44Å; M8-M230 HydrophobicContact SD-SD 3.81Å |
| 9 | M | 85.9 | Confident | 64.4 | Low | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.6 | 166 | -168.7 | -171.1 | 78.7 | 0 | 0 | 109 | F7 I11 T90 F91 V196 Q200 F203 | F7-M9 VanDerWaalsContact C-N 3.28Å; F7-M9 PolarHBondContact O-N 3.49Å; M9-I11 HydrophobicContact CE-CD1 3.85Å; M9-I11 HydrophobicContact CE-CG1 3.86Å; M9-T90 VanDerWaalsContact CA-O 3.31Å; M9-T90 WeakPolarHBondContact CA-O 3.47Å; M9-F91 HydrophobicContact CB-CD1 4.18Å; M9-F91 HydrophobicContact CB-CE1 4.13Å; M9-F91 HydrophobicContact CG-CD1 3.99Å; M9-F91 HydrophobicContact CG-CE1 3.68Å; M9-F91 HydrophobicContact CG-CZ 3.99Å; M9-F91 HydrophobicContact SD-CD1 4.45Å; M9-F91 HydrophobicContact SD-CE1 3.56Å; M9-F91 VanDerWaalsContact SD-CE1 3.56Å; M9-F91 HydrophobicContact SD-CE2 4.47Å; M9-F91 HydrophobicContact SD-CZ 3.58Å; M9-F91 VanDerWaalsContact SD-CZ 3.58Å; M9-V196 HydrophobicContact CE-CG1 4.27Å; M9-Q200 HydrophobicContact CE-CB 4.01Å; M9-Q200 HydrophobicContact CE-CG 3.63Å; M9-Q200 PolarHBondContact O-NE2 2.79Å; M9-F203 HydrophobicContact CE-CB 3.9Å; M9-F203 HydrophobicContact CE-CD2 4.17Å; M9-F203 HydrophobicContact CE-CG 4.44Å; M9-F203 HydrophobicContact SD-CB 3.57Å; M9-F203 VanDerWaalsContact SD-CB 3.57Å; M9-F203 HydrophobicContact SD-CG 4.31Å |
| 10 | S | 85.4 | Confident | 65 | Low | 47 Ų | 47 | 55.9 Ų | 55.9 | 33% | 0.329 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 141.3 | 173.6 | 73.8 | 0 | 0 | 0 | 0 | 110.5 | T90 | S10-T90 PolarHBondContact N-O 3.37Å; S10-T90 PolarHBondContact O-N 2.95Å; S10-T90 WeakPolarHBondContact OG-CB 3.27Å |
| 11 | I | 86.8 | Confident | 65.4 | Low | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.2 | -176.2 | -55.8 | 167.3 | 0 | 0 | 0 | 108.2 | M9 L89 I193 V196 Y197 Q200 | M9-I11 HydrophobicContact CE-CD1 3.85Å; M9-I11 HydrophobicContact CE-CG1 3.86Å; I11-L89 HydrophobicContact CB-CD2 4.33Å; I11-L89 HydrophobicContact CG1-CD2 3.88Å; I11-L89 HydrophobicContact CG2-CD2 3.95Å; I11-I193 HydrophobicContact CG2-CD1 3.88Å; I11-V196 HydrophobicContact CD1-CG1 3.88Å; I11-V196 HydrophobicContact CG1-CG1 4.49Å; I11-Y197 HydrophobicContact CB-CD1 4.42Å; I11-Y197 HydrophobicContact CB-CE1 3.69Å; I11-Y197 HydrophobicContact CD1-CD1 3.52Å; I11-Y197 HydrophobicContact CD1-CE1 3.7Å; I11-Y197 HydrophobicContact CD1-CG 4.03Å; I11-Y197 HydrophobicContact CG1-CE1 4.27Å; I11-Y197 HydrophobicContact CG2-CE1 3.84Å; I11-Y197 HydrophobicContact CG2-CE2 4.07Å; I11-Y197 WeakPolarHBondContact CG2-OH 3.46Å; I11-Q200 HydrophobicContact CD1-CB 4.04Å; I11-Q200 HydrophobicContact CD1-CG 3.85Å; I11-Q200 HydrophobicContact CG1-CG 4.36Å |
| 12 | A | 86.3 | Confident | 68.1 | Low | 43 Ų | 43 | 47.8 Ų | 47.8 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D88 | A12-D88 HydrophobicContact CB-CB 4.3Å; A12-D88 PolarHBondContact N-O 2.77Å; A12-D88 PolarHBondContact O-N 2.92Å |
| 13 | Q | 86.8 | Confident | 70.8 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.6 | 172.1 | -170.5 | 162.7 | 25.5 | 0 | 0 | 110.3 | R15 Y87 | Q13-R15 PolarHBondContact O-N 3.35Å; Q13-Y87 HydrophobicContact CG-CE1 4.48Å |
| 14 | V | 86.7 | Confident | 73.3 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | trans | -72.4 | 116.6 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 109 | A20 P85 G86 D88 V168 | V14-A20 HydrophobicContact CG1-CB 3.73Å; V14-P85 HydrophobicContact CB-CB 4.03Å; V14-P85 HydrophobicContact CG1-CB 3.76Å; V14-G86 PolarHBondContact N-O 2.63Å; V14-D88 HydrophobicContact CG2-CB 4.13Å; V14-V168 HydrophobicContact CG2-CG1 4.18Å | ||
| 15 | R | 82.5 | Confident | 75.5 | Confident | 239 Ų | 239 | 49.1 Ų | 49.1 | 90% | 0.902 | 26% | 0.263 | S | S | * | . | trans | -80.3 | -39.8 | -172.8 | -71.6 | -171.6 | 178.2 | -174.4 | -0.4 | 114 | Q13 | Q13-R15 PolarHBondContact O-N 3.35Š| ||
| 16 | S | 83.5 | Confident | 77.2 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -148.2 | 132.4 | -176 | 153.8 | 0 | 0 | 0 | 0 | 110.3 | G18 S19 A20 | S16-G18 PolarHBondContact OG-N 3.31Å; S16-S19 WeakPolarHBondContact CB-OG 3.12Å; S16-S19 PolarHBondContact O-OG 2.85Å; S16-S19 VanDerWaalsContact O-OG 3.06Å; S16-S19 PolarHBondContact OG-N 3.11Å; S16-S19 PolarHBondContact OG-OG 2.92Å; S16-A20 WeakPolarHBondContact O-CB 3.29Å; S16-A20 PolarHBondContact O-N 3.32Å | ||
| 17 | A | 79.7 | Confident | 78.4 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S19 A20 G21 L63 E64 | A17-S19 PolarHBondContact O-N 3.31Å; A17-A20 PolarHBondContact O-N 2.91Å; A17-G21 PolarHBondContact O-N 3.47Å; A17-L63 HydrophobicContact CB-CB 3.65Å; A17-L63 HydrophobicContact CB-CD1 4.47Å; A17-E64 HydrophobicContact CB-CG 3.78Å |
| 18 | G | 75.6 | Confident | 79.3 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S16 N22 | S16-G18 PolarHBondContact OG-N 3.31Å; G18-N22 PolarHBondContact O-N 2.95Å; G18-N22 PolarHBondContact O-ND2 2.9Å |
| 19 | S | 76.8 | Confident | 79.5 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 174.4 | 61.5 | 0 | 0 | 0 | 0 | 112 | S16 A17 Y23 | S16-S19 WeakPolarHBondContact CB-OG 3.12Å; S16-S19 PolarHBondContact O-OG 2.85Å; S16-S19 VanDerWaalsContact O-OG 3.06Å; S16-S19 PolarHBondContact OG-N 3.11Å; S16-S19 PolarHBondContact OG-OG 2.92Å; A17-S19 PolarHBondContact O-N 3.31Å; S19-Y23 WeakPolarHBondContact O-CB 3.17Å; S19-Y23 PolarHBondContact O-N 2.9Å |
| 20 | A | 76.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -47.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V14 S16 A17 N22 Y23 Y24 L63 | V14-A20 HydrophobicContact CG1-CB 3.73Å; S16-A20 WeakPolarHBondContact O-CB 3.29Å; S16-A20 PolarHBondContact O-N 3.32Å; A17-A20 PolarHBondContact O-N 2.91Å; A20-N22 PolarHBondContact O-N 3.35Å; A20-Y23 PolarHBondContact O-N 3.5Å; A20-Y24 HydrophobicContact CB-CD2 3.98Å; A20-Y24 HydrophobicContact CB-CE2 3.71Å; A20-Y24 WeakPolarHBondContact O-CD2 3.36Å; A20-Y24 PolarHBondContact O-N 2.85Å; A20-L63 HydrophobicContact CB-CD1 3.87Å |
| 21 | G | 72.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -30.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A17 T25 K56 | A17-G21 PolarHBondContact O-N 3.47Å; G21-T25 PolarHBondContact O-OG1 3.04Å; G21-K56 WeakPolarHBondContact O-CE 3.39Å |
| 22 | N | 78.4 | Confident | 77.3 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -81 | -44.8 | 172.2 | -73.8 | -32.5 | 0 | 0 | 0 | 112.7 | G18 A20 D26 K56 | G18-N22 PolarHBondContact O-N 2.95Å; G18-N22 PolarHBondContact O-ND2 2.9Å; A20-N22 PolarHBondContact O-N 3.35Å; N22-D26 PolarHBondContact O-N 3.44Å; N22-K56 WeakPolarHBondContact OD1-CE 3.36Å; N22-K56 PolarHBondContact OD1-NZ 3.25Å |
| 23 | Y | 79.6 | Confident | 76.5 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | -174.6 | 174.4 | -98 | 0 | 0 | 0 | 112.3 | S19 A20 T25 N29 | S19-Y23 WeakPolarHBondContact O-CB 3.17Å; S19-Y23 PolarHBondContact O-N 2.9Å; A20-Y23 PolarHBondContact O-N 3.5Å; Y23-T25 VanDerWaalsContact C-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.24Å; Y23-N29 PolarHBondContact O-ND2 2.68Å |
| 24 | Y | 81.5 | Confident | 75.8 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.5 | -25.8 | -174.8 | -65.3 | -57.9 | 0 | 0 | 0 | 113.2 | A20 F59 D88 F151 H153 H166 V168 | A20-Y24 HydrophobicContact CB-CD2 3.98Å; A20-Y24 HydrophobicContact CB-CE2 3.71Å; A20-Y24 WeakPolarHBondContact O-CD2 3.36Å; A20-Y24 PolarHBondContact O-N 2.85Å; Y24-F59 HydrophobicContact CD2-CE1 4.33Å; Y24-F59 HydrophobicContact CD2-CZ 4.44Å; Y24-D88 WeakPolarHBondContact OH-CB 3.14Å; Y24-D88 VanDerWaalsContact OH-CG 3.27Å; Y24-D88 PolarHBondContact OH-OD2 3.31Å; Y24-F151 HydrophobicContact CD1-CD2 4.49Å; Y24-F151 HydrophobicContact CG-CD2 4.05Å; Y24-F151 HydrophobicContact CG-CE2 4.26Å; Y24-H153 PolarHBondContact O-NE2 3.28Å; Y24-H166 HydrophobicContact CD1-CB 3.95Å; Y24-H166 AromaticContact CD1-CG 3.85Å; Y24-H166 HydrophobicContact CE1-CB 3.89Å; Y24-H166 AromaticContact CE1-CE1 3.98Å; Y24-H166 AromaticContact CE1-CG 3.56Å; Y24-H166 AromaticContact CE1-ND1 3.54Å; Y24-V168 HydrophobicContact CD1-CG2 4.49Å; Y24-V168 HydrophobicContact CD2-CG2 3.94Å; Y24-V168 HydrophobicContact CE1-CG2 4.3Å; Y24-V168 HydrophobicContact CE2-CG2 3.72Å; Y24-V168 HydrophobicContact CG-CG2 4.35Å |
| 25 | T | 78.2 | Confident | 75.2 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 10.4 | -178.8 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | G21 Y23 M36 K56 F151 | G21-T25 PolarHBondContact O-OG1 3.04Å; Y23-T25 VanDerWaalsContact C-N 3.33Å; Y23-T25 PolarHBondContact O-N 3.24Å; T25-M36 HydrophobicContact CG2-CE 4.42Å; T25-K56 HydrophobicContact CG2-CG 4.49Å; T25-F151 HydrophobicContact CG2-CE1 4.2Å |
| 26 | D | 77.3 | Confident | 74.8 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | trans | -73.3 | 134.3 | -177.8 | -162.1 | -21.2 | 0 | 0 | 0 | 111.7 | N22 D28 N29 Y30 | N22-D26 PolarHBondContact O-N 3.44Å; D26-D28 PolarHBondContact O-N 3.27Å; D26-D28 PolarHBondContact OD1-N 3.08Å; D26-N29 WeakPolarHBondContact O-CB 3.38Å; D26-N29 PolarHBondContact O-N 3.01Å; D26-N29 VanDerWaalsContact O-N 3.11Å; D26-Y30 VanDerWaalsContact O-CD1 3.25Å; D26-Y30 WeakPolarHBondContact O-CD1 3.43Å; D26-Y30 WeakPolarHBondContact O-CE1 3.47Å | ||
| 27 | K | 69.1 | Low | 74.5 | Confident | 153 Ų | 153 | 46.7 Ų | 46.7 | 67% | 0.665 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -58 | -34.1 | -178.7 | -80.9 | -174.4 | 175.3 | -175.8 | 0 | 113.2 | N29 Y30 Y31 | K27-N29 PolarHBondContact O-N 2.84Å; K27-N29 VanDerWaalsContact O-N 3.1Å; K27-Y30 VanDerWaalsContact CA-CE1 3.48Å; K27-Y30 HydrophobicContact CG-CE2 4.45Å; K27-Y30 WeakPolarHBondContact CG-OH 3.49Å; K27-Y30 PolarHBondContact O-N 3.25Å; K27-Y31 PolarHBondContact O-N 2.94Å |
| 28 | D | 67.9 | Low | 74.9 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -58.6 | -22.8 | 179 | -99.5 | 39.1 | 0 | 0 | 0 | 113.7 | D26 H274 | D26-D28 PolarHBondContact O-N 3.27Å; D26-D28 PolarHBondContact OD1-N 3.08Å; D28-H274 IonicContact OD1-CE1 3.46Å; D28-H274 PolarHBondContact OD1-CE1 2.86Å; D28-H274 IonicContact OD1-ND1 3.99Å; D28-H274 IonicContact OD2-CE1 2.87Å; D28-H274 PolarHBondContact OD2-CE1 3.2Å; D28-H274 IonicContact OD2-CG 2.61Å; D28-H274 IonicContact OD2-ND1 3.96Å; D28-H274 PolarHBondContact OD2-ND1 3.41Å |
| 29 | N | 72.4 | Confident | 75.7 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -89 | -7.1 | -175 | -62.6 | -41.4 | 0 | 0 | 0 | 114 | Y23 D26 K27 H153 D154 K272 | Y23-N29 PolarHBondContact O-ND2 2.68Å; D26-N29 WeakPolarHBondContact O-CB 3.38Å; D26-N29 PolarHBondContact O-N 3.01Å; D26-N29 VanDerWaalsContact O-N 3.11Å; K27-N29 PolarHBondContact O-N 2.84Å; K27-N29 VanDerWaalsContact O-N 3.1Å; N29-H153 HydrophobicContact CB-CB 4.24Å; N29-H153 PolarHBondContact ND2-CE1 3.16Å; N29-H153 VanDerWaalsContact ND2-CE1 3.33Å; N29-H153 CarbonylContact O-C 3.53Å; N29-H153 WeakPolarHBondContact O-CA 3.3Å; N29-D154 VanDerWaalsContact C-OD1 3.31Å; N29-D154 PolarHBondContact O-N 3.02Å; N29-K272 PolarHBondContact OD1-NZ 3.37Å |
| 30 | Y | 72 | Confident | 76.6 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -140.4 | 19.5 | -177.7 | 59.6 | -94.3 | 0 | 0 | 0 | 113.4 | D26 K27 V32 L33 G34 M36 D154 | D26-Y30 VanDerWaalsContact O-CD1 3.25Å; D26-Y30 WeakPolarHBondContact O-CD1 3.43Å; D26-Y30 WeakPolarHBondContact O-CE1 3.47Å; K27-Y30 VanDerWaalsContact CA-CE1 3.48Å; K27-Y30 HydrophobicContact CG-CE2 4.45Å; K27-Y30 WeakPolarHBondContact CG-OH 3.49Å; K27-Y30 PolarHBondContact O-N 3.25Å; Y30-V32 VanDerWaalsContact C-N 3.3Å; Y30-V32 PolarHBondContact O-N 2.73Å; Y30-L33 PolarHBondContact O-N 2.92Å; Y30-G34 PolarHBondContact O-N 2.86Å; Y30-G34 VanDerWaalsContact O-N 3.08Å; Y30-M36 HydrophobicContact CD1-CB 3.61Å; Y30-M36 HydrophobicContact CD1-CG 3.72Å; Y30-M36 HydrophobicContact CD1-SD 3.5Å; Y30-M36 VanDerWaalsContact CD1-SD 3.5Å; Y30-M36 HydrophobicContact CD2-CB 3.97Å; Y30-M36 HydrophobicContact CE1-CB 3.96Å; Y30-M36 HydrophobicContact CE1-CE 4.29Å; Y30-M36 HydrophobicContact CE1-CG 4.27Å; Y30-M36 HydrophobicContact CE1-SD 3.72Å; Y30-M36 HydrophobicContact CE2-CB 4.31Å; Y30-M36 HydrophobicContact CG-CB 3.6Å; Y30-M36 HydrophobicContact CG-CG 4.04Å; Y30-M36 HydrophobicContact CG-SD 4.4Å; Y30-D154 VanDerWaalsContact CA-OD2 3.26Å; Y30-D154 WeakPolarHBondContact CA-OD2 3.3Å |
| 31 | Y | 71.2 | Confident | 77.4 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -41.8 | -175 | 179.8 | -89.6 | 0 | 0 | 0 | 112.7 | K27 G34 D154 P277 E278 | K27-Y31 PolarHBondContact O-N 2.94Å; Y31-G34 PolarHBondContact O-N 2.85Å; Y31-D154 PolarHBondContact N-OD2 3.14Å; Y31-D154 VanDerWaalsContact N-OD2 3.16Å; Y31-P277 HydrophobicContact CD1-CB 3.19Å; Y31-P277 HydrophobicContact CD1-CG 4.3Å; Y31-P277 HydrophobicContact CD2-CB 3.54Å; Y31-P277 HydrophobicContact CD2-CG 3.8Å; Y31-P277 HydrophobicContact CE1-CB 3.53Å; Y31-P277 HydrophobicContact CE2-CB 3.85Å; Y31-P277 HydrophobicContact CE2-CG 4.24Å; Y31-P277 HydrophobicContact CG-CB 3.19Å; Y31-P277 HydrophobicContact CG-CG 3.83Å; Y31-E278 WeakPolarHBondContact OH-CG 3.46Å; Y31-E278 PolarHBondContact OH-OE1 3.23Å |
| 32 | V | 67.9 | Low | 78.4 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -35.3 | -177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | Y30 G34 M102 D154 M281 W284 | Y30-V32 VanDerWaalsContact C-N 3.3Å; Y30-V32 PolarHBondContact O-N 2.73Å; V32-G34 PolarHBondContact O-N 3.42Å; V32-M102 HydrophobicContact CB-CE 3.71Å; V32-M102 HydrophobicContact CG1-CB 3.81Å; V32-M102 HydrophobicContact CG1-CE 3.6Å; V32-M102 HydrophobicContact CG1-CG 4.22Å; V32-M102 HydrophobicContact CG2-CE 4.09Å; V32-D154 WeakPolarHBondContact CA-OD2 2.94Å; V32-D154 VanDerWaalsContact CB-OD2 3.29Å; V32-D154 WeakPolarHBondContact CB-OD2 3.48Å; V32-D154 PolarHBondContact N-OD2 2.91Å; V32-M281 HydrophobicContact CB-CE 4.03Å; V32-M281 HydrophobicContact CG1-CE 3.3Å; V32-M281 HydrophobicContact CG1-SD 4.3Å; V32-M281 HydrophobicContact CG2-CE 3.76Å; V32-M281 HydrophobicContact CG2-SD 4.03Å; V32-W284 HydrophobicContact CG2-CZ3 3.93Å |
| 33 | L | 70.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.9 | 173.7 | -63.6 | 169 | 0 | 0 | 0 | 111.8 | Y30 S35 I110 N152 D154 L163 | Y30-L33 PolarHBondContact O-N 2.92Å; L33-S35 WeakPolarHBondContact CB-O 3.47Å; L33-S35 PolarHBondContact O-N 3.48Å; L33-S35 VanDerWaalsContact O-N 3.08Å; L33-I110 HydrophobicContact CD2-CD1 3.4Å; L33-I110 VanDerWaalsContact CD2-CD1 3.4Å; L33-I110 HydrophobicContact CD2-CG1 4Å; L33-I110 HydrophobicContact CD2-CG2 4.37Å; L33-N152 HydrophobicContact CD1-CB 4.09Å; L33-D154 HydrophobicContact CD1-CB 3.76Å; L33-D154 HydrophobicContact CG-CB 3.73Å; L33-D154 PolarHBondContact N-OD2 3.39Å; L33-L163 HydrophobicContact CD1-CD1 4.27Å; L33-L163 HydrophobicContact CD2-CD1 4.23Å |
| 34 | G | 72.2 | Confident | 79.7 | Confident | 65 Ų | 65 | 46 Ų | 46 | 67% | 0.67 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 75.2 | -21 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y30 Y31 V32 | Y30-G34 PolarHBondContact O-N 2.86Å; Y30-G34 VanDerWaalsContact O-N 3.08Å; Y31-G34 PolarHBondContact O-N 2.85Å; V32-G34 PolarHBondContact O-N 3.42Å |
| 35 | S | 74 | Confident | 80.3 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -143.5 | 132.4 | 174.3 | 153.4 | 0 | 0 | 0 | 0 | 108.6 | L33 G37 | L33-S35 WeakPolarHBondContact CB-O 3.47Å; L33-S35 PolarHBondContact O-N 3.48Å; L33-S35 VanDerWaalsContact O-N 3.08Å; S35-G37 PolarHBondContact O-N 2.84Å; S35-G37 PolarHBondContact OG-N 3.49Å |
| 36 | M | 74.6 | Confident | 81 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -66 | -19.9 | 178.2 | -165 | 161.4 | 56.8 | 0 | 0 | 113.1 | T25 Y30 E38 F151 N152 | T25-M36 HydrophobicContact CG2-CE 4.42Å; Y30-M36 HydrophobicContact CD1-CB 3.61Å; Y30-M36 HydrophobicContact CD1-CG 3.72Å; Y30-M36 HydrophobicContact CD1-SD 3.5Å; Y30-M36 VanDerWaalsContact CD1-SD 3.5Å; Y30-M36 HydrophobicContact CD2-CB 3.97Å; Y30-M36 HydrophobicContact CE1-CB 3.96Å; Y30-M36 HydrophobicContact CE1-CE 4.29Å; Y30-M36 HydrophobicContact CE1-CG 4.27Å; Y30-M36 HydrophobicContact CE1-SD 3.72Å; Y30-M36 HydrophobicContact CE2-CB 4.31Å; Y30-M36 HydrophobicContact CG-CB 3.6Å; Y30-M36 HydrophobicContact CG-CG 4.04Å; Y30-M36 HydrophobicContact CG-SD 4.4Å; M36-E38 HydrophobicContact CE-CB 3.88Å; M36-E38 HydrophobicContact CE-CG 4.44Å; M36-E38 WeakPolarHBondContact CE-OE2 3.16Å; M36-E38 PolarHBondContact O-N 3.46Å; M36-F151 HydrophobicContact CE-CD1 3.54Å; M36-F151 HydrophobicContact CE-CE1 4.03Å; M36-F151 HydrophobicContact SD-CB 4.2Å; M36-F151 HydrophobicContact SD-CD1 4Å; M36-N152 WeakPolarHBondContact CG-O 3.28Å; M36-N152 VanDerWaalsContact O-CB 3.31Å; M36-N152 WeakPolarHBondContact O-CB 3.48Å; M36-N152 PolarHBondContact O-N 2.83Å | ||
| 37 | G | 76.8 | Confident | 81.6 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | trans | 58.9 | 32.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S35 R39 | S35-G37 PolarHBondContact O-N 2.84Å; S35-G37 PolarHBondContact OG-N 3.49Å; G37-R39 PolarHBondContact O-NH1 3.19Å | ||
| 38 | E | 87.8 | Confident | 82.7 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | trans | -63 | 132.5 | -177.5 | 70.9 | -163.9 | 175.3 | 0 | 0 | 111 | M36 S53 V54 L150 F151 | M36-E38 HydrophobicContact CE-CB 3.88Å; M36-E38 HydrophobicContact CE-CG 4.44Å; M36-E38 WeakPolarHBondContact CE-OE2 3.16Å; M36-E38 PolarHBondContact O-N 3.46Å; E38-S53 PolarHBondContact OE1-OG 3.4Å; E38-V54 HydrophobicContact CB-CB 4.42Å; E38-V54 HydrophobicContact CB-CG2 4.32Å; E38-V54 HydrophobicContact CG-CB 4.33Å; E38-L150 VanDerWaalsContact CA-O 3.32Å; E38-L150 WeakPolarHBondContact CA-O 3.19Å; E38-F151 HydrophobicContact CB-CD1 3.91Å; E38-F151 HydrophobicContact CB-CE1 4.15Å | ||
| 39 | R | 93.4 | Very high | 83.8 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 149.2 | -177.4 | 62.4 | -172.2 | -179.9 | -75.1 | 1.2 | 112.7 | G37 G52 N114 D118 L150 | G37-R39 PolarHBondContact O-NH1 3.19Å; R39-G52 WeakPolarHBondContact CA-O 3.49Å; R39-N114 PolarHBondContact NH1-OD1 2.91Å; R39-N114 VanDerWaalsContact NH1-OD1 3.17Å; R39-N114 PolarHBondContact NH2-O 3.49Å; R39-N114 PolarHBondContact NH2-OD1 2.95Å; R39-D118 IonicContact CZ-OD1 3.35Å; R39-D118 IonicContact NE-OD1 2.77Å; R39-D118 PolarHBondContact NE-OD1 3.41Å; R39-D118 IonicContact NE-OD2 3.99Å; R39-D118 IonicContact NH2-OD1 2.93Å; R39-D118 PolarHBondContact NH2-OD1 2.97Å; R39-D118 IonicContact NH2-OD2 3.88Å; R39-L150 HydrophobicContact CG-CB 3.92Å; R39-L150 HydrophobicContact CG-CD1 4.06Å; R39-L150 HydrophobicContact CG-CG 4.35Å; R39-L150 PolarHBondContact N-O 3.14Å; R39-L150 VanDerWaalsContact N-O 3.13Å; R39-L150 PolarHBondContact O-N 3.15Å |
| 40 | W | 94.1 | Very high | 84.7 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 145.9 | 166.7 | -66.7 | 104.7 | 0 | 0 | 0 | 111.2 | A45 L50 G52 S53 V54 V58 F59 L62 V147 M148 A149 | W40-A45 HydrophobicContact CB-CB 4.12Å; W40-A45 HydrophobicContact CE3-CB 4.4Å; W40-L50 HydrophobicContact CB-CB 4.35Å; W40-L50 VanDerWaalsContact CB-O 3.29Å; W40-L50 WeakPolarHBondContact CB-O 3.45Å; W40-L50 HydrophobicContact CD2-CB 3.79Å; W40-L50 HydrophobicContact CD2-CD1 4.18Å; W40-L50 HydrophobicContact CD2-CG 4.48Å; W40-L50 HydrophobicContact CE3-CB 4.38Å; W40-L50 HydrophobicContact CE3-CD1 4.09Å; W40-L50 HydrophobicContact CG-CB 3.75Å; W40-L50 HydrophobicContact CH2-CD1 4.03Å; W40-L50 HydrophobicContact CZ2-CD1 4.1Å; W40-L50 HydrophobicContact CZ2-CD2 4.2Å; W40-L50 HydrophobicContact CZ3-CD1 4.04Å; W40-G52 PolarHBondContact N-O 2.94Å; W40-S53 PolarHBondContact NE1-O 3.48Å; W40-V54 HydrophobicContact CD2-CG2 4.1Å; W40-V54 HydrophobicContact CG-CG2 4.27Å; W40-V54 HydrophobicContact CH2-CG1 4.06Å; W40-V54 HydrophobicContact CZ2-CB 4.33Å; W40-V54 HydrophobicContact CZ2-CG1 3.69Å; W40-V54 HydrophobicContact CZ2-CG2 4.43Å; W40-V58 HydrophobicContact CZ2-CG1 4.4Å; W40-F59 HydrophobicContact CH2-CB 4.25Å; W40-F59 HydrophobicContact CH2-CD2 4.02Å; W40-F59 HydrophobicContact CZ3-CD2 4.39Å; W40-L62 HydrophobicContact CH2-CD2 3.81Å; W40-L62 HydrophobicContact CZ3-CD2 3.67Å; W40-V147 HydrophobicContact CE3-CG1 4.22Å; W40-V147 HydrophobicContact CZ3-CG1 3.97Å; W40-M148 WeakPolarHBondContact CA-O 3.33Å; W40-A149 HydrophobicContact CE3-CB 4.29Å; W40-A149 HydrophobicContact CZ3-CB 4.07Å |
| 41 | A | 94 | Very high | 85.4 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A45 V121 M148 L150 | A41-A45 WeakPolarHBondContact O-CB 3.35Å; A41-V121 HydrophobicContact CB-CG1 4.4Å; A41-M148 HydrophobicContact CB-CB 4.28Å; A41-M148 HydrophobicContact CB-CE 4.34Å; A41-M148 PolarHBondContact N-O 3.15Å; A41-M148 WeakPolarHBondContact O-CB 3.44Å; A41-M148 PolarHBondContact O-N 2.87Å; A41-L150 HydrophobicContact CB-CD1 3.73Å; A41-L150 HydrophobicContact CB-CD2 4.38Å; A41-L150 HydrophobicContact CB-CG 3.89Å |
| 42 | G | 93.2 | Very high | 86.1 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 99.9 | 145.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G44 A45 E46 E125 L146 | G42-G44 PolarHBondContact O-N 3.42Å; G42-A45 WeakPolarHBondContact O-CB 3.45Å; G42-A45 PolarHBondContact O-N 3.04Å; G42-A45 VanDerWaalsContact O-N 3.1Å; G42-E46 PolarHBondContact O-N 2.9Å; G42-E46 VanDerWaalsContact O-N 3.14Å; G42-E125 VanDerWaalsContact C-OE1 3.32Å; G42-E125 WeakPolarHBondContact CA-OE1 3.34Å; G42-E125 WeakPolarHBondContact CA-OE2 3.41Å; G42-L146 CarbonylContact C-O 3.5Å; G42-L146 WeakPolarHBondContact CA-O 3.47Å |
| 43 | Q | 93.6 | Very high | 87 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.5 | -32.7 | 174.8 | -64.2 | -163.1 | -0.4 | 0 | 0 | 111.9 | A45 E46 Q47 E125 N145 | Q43-A45 VanDerWaalsContact C-N 3.33Å; Q43-A45 PolarHBondContact O-N 3.1Å; Q43-E46 PolarHBondContact O-N 2.95Å; Q43-Q47 VanDerWaalsContact O-CB 3.25Å; Q43-Q47 WeakPolarHBondContact O-CB 3.19Å; Q43-Q47 PolarHBondContact O-N 2.87Å; Q43-E125 PolarHBondContact N-OE1 2.95Å; Q43-E125 PolarHBondContact N-OE2 3.47Å; Q43-N145 HydrophobicContact CB-CB 4.19Å |
| 44 | G | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G42 Q47 L48 L146 | G42-G44 PolarHBondContact O-N 3.42Å; G44-Q47 PolarHBondContact O-N 3.35Å; G44-L48 WeakPolarHBondContact O-CG 3.42Å; G44-L48 PolarHBondContact O-N 3.33Å; G44-L48 VanDerWaalsContact O-N 3.12Å; G44-L146 VanDerWaalsContact CA-O 3.26Å; G44-L146 WeakPolarHBondContact CA-O 3.46Å; G44-L146 PolarHBondContact N-O 3.34Å |
| 45 | A | 93.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W40 A41 G42 Q43 Q47 L48 G49 L50 L146 V147 | W40-A45 HydrophobicContact CB-CB 4.12Å; W40-A45 HydrophobicContact CE3-CB 4.4Å; A41-A45 WeakPolarHBondContact O-CB 3.35Å; G42-A45 WeakPolarHBondContact O-CB 3.45Å; G42-A45 PolarHBondContact O-N 3.04Å; G42-A45 VanDerWaalsContact O-N 3.1Å; Q43-A45 VanDerWaalsContact C-N 3.33Å; Q43-A45 PolarHBondContact O-N 3.1Å; A45-Q47 VanDerWaalsContact C-N 3.29Å; A45-Q47 PolarHBondContact O-N 2.89Å; A45-L48 CarbonylContact O-C 3.47Å; A45-L48 PolarHBondContact O-N 3.06Å; A45-G49 PolarHBondContact O-N 3.38Å; A45-L50 HydrophobicContact CB-CB 4.19Å; A45-L50 WeakPolarHBondContact O-CB 3.27Å; A45-L50 PolarHBondContact O-N 2.88Å; A45-L146 PolarHBondContact N-O 3.47Å; A45-V147 HydrophobicContact CB-CG1 3.98Å |
| 46 | E | 92.3 | Very high | 89.4 | Confident | 122 Ų | 122 | 52 Ų | 52 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.6 | -41.6 | 175.1 | 178.7 | 167 | -150.4 | 0 | 0 | 112 | G42 Q43 L48 G49 Q51 | G42-E46 PolarHBondContact O-N 2.9Å; G42-E46 VanDerWaalsContact O-N 3.14Å; Q43-E46 PolarHBondContact O-N 2.95Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 2.94Å; E46-G49 WeakPolarHBondContact O-CA 3.2Å; E46-G49 PolarHBondContact O-N 3.41Å; E46-Q51 PolarHBondContact OE1-NE2 3.15Å |
| 47 | Q | 90.3 | Very high | 90.1 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.7 | -27.5 | 179.4 | -160.6 | 144.8 | 27.8 | 0 | 0 | 113.3 | Q43 G44 A45 | Q43-Q47 VanDerWaalsContact O-CB 3.25Å; Q43-Q47 WeakPolarHBondContact O-CB 3.19Å; Q43-Q47 PolarHBondContact O-N 2.87Å; G44-Q47 PolarHBondContact O-N 3.35Å; A45-Q47 VanDerWaalsContact C-N 3.29Å; A45-Q47 PolarHBondContact O-N 2.89Å |
| 48 | L | 91.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.4 | 169.1 | -71.3 | 171.2 | 0 | 0 | 0 | 113.3 | G44 A45 E46 L50 L67 D69 V147 W179 | G44-L48 WeakPolarHBondContact O-CG 3.42Å; G44-L48 PolarHBondContact O-N 3.33Å; G44-L48 VanDerWaalsContact O-N 3.12Å; A45-L48 CarbonylContact O-C 3.47Å; A45-L48 PolarHBondContact O-N 3.06Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 2.94Å; L48-L50 HydrophobicContact CB-CD1 4.06Å; L48-L50 HydrophobicContact CB-CG 3.97Å; L48-L50 HydrophobicContact CD1-CD1 4.17Å; L48-L50 PolarHBondContact O-N 3.28Å; L48-L67 HydrophobicContact CD1-CD2 3.8Å; L48-D69 HydrophobicContact CD2-CB 3.89Å; L48-V147 HydrophobicContact CD1-CG1 4.34Å; L48-V147 HydrophobicContact CD1-CG2 3.67Å; L48-W179 HydrophobicContact CD1-CH2 3.72Å; L48-W179 HydrophobicContact CD1-CZ2 3.86Å; L48-W179 HydrophobicContact CD1-CZ3 4.41Å; L48-W179 HydrophobicContact CD2-CH2 4.14Å; L48-W179 HydrophobicContact CD2-CZ2 3.39Å; L48-W179 HydrophobicContact CG-CH2 3.71Å; L48-W179 HydrophobicContact CG-CZ2 3.46Å; L48-W179 VanDerWaalsContact CG-CZ2 3.46Å |
| 49 | G | 90.8 | Very high | 90.9 | Very high | 60 Ų | 60 | 54 Ų | 54 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 17.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | A45 E46 Q51 | A45-G49 PolarHBondContact O-N 3.38Å; E46-G49 WeakPolarHBondContact O-CA 3.2Å; E46-G49 PolarHBondContact O-N 3.41Å; G49-Q51 PolarHBondContact O-N 3.37Å |
| 50 | L | 91.6 | Very high | 90.7 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | trans | -84.3 | 96.3 | 178.2 | -61.9 | 173.8 | 0 | 0 | 0 | 109.5 | W40 A45 L48 V58 P68 V147 | W40-L50 HydrophobicContact CB-CB 4.35Å; W40-L50 VanDerWaalsContact CB-O 3.29Å; W40-L50 WeakPolarHBondContact CB-O 3.45Å; W40-L50 HydrophobicContact CD2-CB 3.79Å; W40-L50 HydrophobicContact CD2-CD1 4.18Å; W40-L50 HydrophobicContact CD2-CG 4.48Å; W40-L50 HydrophobicContact CE3-CB 4.38Å; W40-L50 HydrophobicContact CE3-CD1 4.09Å; W40-L50 HydrophobicContact CG-CB 3.75Å; W40-L50 HydrophobicContact CH2-CD1 4.03Å; W40-L50 HydrophobicContact CZ2-CD1 4.1Å; W40-L50 HydrophobicContact CZ2-CD2 4.2Å; W40-L50 HydrophobicContact CZ3-CD1 4.04Å; A45-L50 HydrophobicContact CB-CB 4.19Å; A45-L50 WeakPolarHBondContact O-CB 3.27Å; A45-L50 PolarHBondContact O-N 2.88Å; L48-L50 HydrophobicContact CB-CD1 4.06Å; L48-L50 HydrophobicContact CB-CG 3.97Å; L48-L50 HydrophobicContact CD1-CD1 4.17Å; L48-L50 PolarHBondContact O-N 3.28Å; L50-V58 HydrophobicContact CD2-CG1 3.92Å; L50-P68 HydrophobicContact CD1-CG 4.12Å; L50-P68 HydrophobicContact CD2-CG 3.98Å; L50-P68 HydrophobicContact CG-CG 4.27Å; L50-V147 HydrophobicContact CD1-CG1 3.95Å | ||
| 51 | Q | 86.5 | Confident | 90.6 | Very high | 133 Ų | 133 | 57.9 Ų | 57.9 | 62% | 0.621 | 32% | 0.321 | S | S | * | . | trans | -127.2 | 151.5 | 176.6 | -63.4 | -135.4 | -4.3 | 0 | 0 | 111.7 | E46 G49 | E46-Q51 PolarHBondContact OE1-NE2 3.15Å; G49-Q51 PolarHBondContact O-N 3.37Å | ||
| 52 | G | 86.1 | Confident | 90.4 | Very high | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 77.8 | -139.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | R39 W40 | R39-G52 WeakPolarHBondContact CA-O 3.49Å; W40-G52 PolarHBondContact N-O 2.94Å |
| 53 | S | 88.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -67.1 | 151.9 | -176.8 | 155.1 | 0 | 0 | 0 | 0 | 112.5 | E38 W40 | E38-S53 PolarHBondContact OE1-OG 3.4Å; W40-S53 PolarHBondContact NE1-O 3.48Å |
| 54 | V | 89.7 | Confident | 90.2 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | trans | -90.8 | 106.1 | -177.4 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | E38 W40 K56 F59 A149 F151 | E38-V54 HydrophobicContact CB-CB 4.42Å; E38-V54 HydrophobicContact CB-CG2 4.32Å; E38-V54 HydrophobicContact CG-CB 4.33Å; W40-V54 HydrophobicContact CD2-CG2 4.1Å; W40-V54 HydrophobicContact CG-CG2 4.27Å; W40-V54 HydrophobicContact CH2-CG1 4.06Å; W40-V54 HydrophobicContact CZ2-CB 4.33Å; W40-V54 HydrophobicContact CZ2-CG1 3.69Å; W40-V54 HydrophobicContact CZ2-CG2 4.43Å; V54-K56 PolarHBondContact O-N 2.92Å; V54-F59 HydrophobicContact CG1-CB 3.77Å; V54-F59 HydrophobicContact CG1-CD2 4.14Å; V54-F59 HydrophobicContact CG1-CG 4Å; V54-A149 HydrophobicContact CG1-CB 4.11Å; V54-A149 HydrophobicContact CG2-CB 4.07Å; V54-F151 HydrophobicContact CB-CE1 4.04Å; V54-F151 HydrophobicContact CB-CZ 4.31Å; V54-F151 HydrophobicContact CG1-CE1 4Å; V54-F151 HydrophobicContact CG1-CZ 3.78Å; V54-F151 HydrophobicContact CG2-CE1 4.36Å | ||
| 55 | D | 89.3 | Confident | 90.1 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | trans | -67.6 | 126.2 | 171.8 | 178.3 | -93.6 | 0 | 0 | 0 | 110.7 | D57 V58 F59 | D55-D57 PolarHBondContact O-N 3Å; D55-D57 PolarHBondContact OD1-N 3.49Å; D55-V58 HydrophobicContact CB-CB 4.07Å; D55-V58 HydrophobicContact CB-CG2 4.06Å; D55-V58 PolarHBondContact O-N 2.97Å; D55-V58 WeakPolarHBondContact OD1-CG2 3.33Å; D55-V58 PolarHBondContact OD1-N 3.43Å; D55-F59 VanDerWaalsContact O-CB 3.23Å; D55-F59 WeakPolarHBondContact O-CB 3.47Å; D55-F59 PolarHBondContact O-N 3.05Å | ||
| 56 | K | 87.4 | Confident | 90 | Very high | 80 Ų | 80 | 57.6 Ų | 57.6 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | -174.6 | -179.2 | -176.9 | 174.7 | -175.9 | 0 | 113.1 | G21 N22 T25 V54 T60 | G21-K56 WeakPolarHBondContact O-CE 3.39Å; N22-K56 WeakPolarHBondContact OD1-CE 3.36Å; N22-K56 PolarHBondContact OD1-NZ 3.25Å; T25-K56 HydrophobicContact CG2-CG 4.49Å; V54-K56 PolarHBondContact O-N 2.92Å; K56-T60 WeakPolarHBondContact O-CB 3.45Å; K56-T60 PolarHBondContact O-N 2.95Å; K56-T60 PolarHBondContact O-OG1 3.32Å |
| 57 | D | 88.2 | Confident | 90 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -75.7 | -39 | -177 | -70.7 | -27.2 | 0 | 0 | 0 | 110.9 | D55 R61 | D55-D57 PolarHBondContact O-N 3Å; D55-D57 PolarHBondContact OD1-N 3.49Å; D57-R61 WeakPolarHBondContact O-CB 3.28Å; D57-R61 VanDerWaalsContact O-CG 3.31Å; D57-R61 WeakPolarHBondContact O-CG 3.48Å; D57-R61 PolarHBondContact O-N 3.02Å; D57-R61 PolarHBondContact O-NE 2.78Å |
| 58 | V | 90.7 | Very high | 89.9 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 169.7 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | W40 L50 D55 T60 R61 L62 P68 | W40-V58 HydrophobicContact CZ2-CG1 4.4Å; L50-V58 HydrophobicContact CD2-CG1 3.92Å; D55-V58 HydrophobicContact CB-CB 4.07Å; D55-V58 HydrophobicContact CB-CG2 4.06Å; D55-V58 PolarHBondContact O-N 2.97Å; D55-V58 WeakPolarHBondContact OD1-CG2 3.33Å; D55-V58 PolarHBondContact OD1-N 3.43Å; V58-T60 PolarHBondContact O-N 3.45Å; V58-R61 PolarHBondContact O-N 2.98Å; V58-L62 WeakPolarHBondContact O-CB 3.4Å; V58-L62 PolarHBondContact O-N 3.14Å; V58-P68 HydrophobicContact CG1-CG 4.07Å |
| 59 | F | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 179 | 177.4 | -111.4 | 0 | 0 | 0 | 112.5 | Y24 W40 V54 D55 R61 L62 L63 A149 F151 V168 | Y24-F59 HydrophobicContact CD2-CE1 4.33Å; Y24-F59 HydrophobicContact CD2-CZ 4.44Å; W40-F59 HydrophobicContact CH2-CB 4.25Å; W40-F59 HydrophobicContact CH2-CD2 4.02Å; W40-F59 HydrophobicContact CZ3-CD2 4.39Å; V54-F59 HydrophobicContact CG1-CB 3.77Å; V54-F59 HydrophobicContact CG1-CD2 4.14Å; V54-F59 HydrophobicContact CG1-CG 4Å; D55-F59 VanDerWaalsContact O-CB 3.23Å; D55-F59 WeakPolarHBondContact O-CB 3.47Å; D55-F59 PolarHBondContact O-N 3.05Å; F59-R61 PolarHBondContact O-N 2.85Å; F59-L62 WeakPolarHBondContact O-CB 3.32Å; F59-L62 PolarHBondContact O-N 3.07Å; F59-L63 HydrophobicContact CD1-CD1 4.25Å; F59-L63 HydrophobicContact CE1-CD1 3.68Å; F59-L63 HydrophobicContact CE1-CG 4.41Å; F59-L63 HydrophobicContact CE2-CD1 4.32Å; F59-L63 HydrophobicContact CE2-CD2 4.3Å; F59-L63 HydrophobicContact CE2-CG 4.27Å; F59-L63 HydrophobicContact CZ-CD1 3.72Å; F59-L63 HydrophobicContact CZ-CD2 4.31Å; F59-L63 HydrophobicContact CZ-CG 4.16Å; F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.26Å; F59-A149 HydrophobicContact CD2-CB 3.75Å; F59-A149 HydrophobicContact CE2-CB 3.47Å; F59-A149 VanDerWaalsContact CE2-CB 3.47Å; F59-A149 HydrophobicContact CZ-CB 4.31Å; F59-F151 HydrophobicContact CD1-CZ 4.19Å; F59-F151 HydrophobicContact CD2-CZ 4.49Å; F59-F151 AromaticContact CE1-CE2 3.92Å; F59-F151 HydrophobicContact CE1-CE2 3.92Å; F59-F151 AromaticContact CE1-CZ 3.97Å; F59-F151 HydrophobicContact CE1-CZ 3.97Å; F59-F151 HydrophobicContact CE2-CE2 4.08Å; F59-F151 HydrophobicContact CE2-CZ 4.3Å; F59-F151 HydrophobicContact CG-CZ 4.44Å; F59-F151 AromaticContact CZ-CE2 3.63Å; F59-F151 HydrophobicContact CZ-CE2 3.63Å; F59-F151 HydrophobicContact CZ-CZ 4.02Å; F59-V168 HydrophobicContact CE2-CB 4.18Å; F59-V168 HydrophobicContact CE2-CG1 4.12Å; F59-V168 HydrophobicContact CZ-CB 3.97Å; F59-V168 HydrophobicContact CZ-CG1 3.81Å; F59-V168 HydrophobicContact CZ-CG2 4.25Å |
| 60 | T | 90.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 111 | K56 V58 L62 L63 E64 | K56-T60 WeakPolarHBondContact O-CB 3.45Å; K56-T60 PolarHBondContact O-N 2.95Å; K56-T60 PolarHBondContact O-OG1 3.32Å; V58-T60 PolarHBondContact O-N 3.45Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.35Å; T60-L63 PolarHBondContact O-N 2.9Å; T60-E64 WeakPolarHBondContact O-CG 3.41Å; T60-E64 PolarHBondContact O-N 2.93Å; T60-E64 VanDerWaalsContact O-N 3.13Å |
| 61 | R | 90.3 | Very high | 89.4 | Confident | 126 Ų | 126 | 53.6 Ų | 53.6 | 48% | 0.475 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.3 | -75.5 | -175.5 | -66 | 163.4 | -1.4 | 112.5 | D57 V58 F59 L63 E64 G65 R66 | D57-R61 WeakPolarHBondContact O-CB 3.28Å; D57-R61 VanDerWaalsContact O-CG 3.31Å; D57-R61 WeakPolarHBondContact O-CG 3.48Å; D57-R61 PolarHBondContact O-N 3.02Å; D57-R61 PolarHBondContact O-NE 2.78Å; V58-R61 PolarHBondContact O-N 2.98Å; F59-R61 PolarHBondContact O-N 2.85Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.4Å; R61-E64 CarbonylContact O-C 3.48Å; R61-E64 WeakPolarHBondContact O-CA 3.4Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.24Å; R61-G65 PolarHBondContact O-N 2.87Å; R61-R66 CarbonylContact C-O 3.54Å; R61-R66 VanDerWaalsContact C-O 3.32Å; R61-R66 HydrophobicContact CB-CB 4.21Å; R61-R66 PolarHBondContact O-N 3Å |
| 62 | L | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 175.8 | -175.6 | 73.1 | 0 | 0 | 0 | 111.4 | W40 V58 F59 T60 E64 G65 R66 L67 V147 A170 V172 | W40-L62 HydrophobicContact CH2-CD2 3.81Å; W40-L62 HydrophobicContact CZ3-CD2 3.67Å; V58-L62 WeakPolarHBondContact O-CB 3.4Å; V58-L62 PolarHBondContact O-N 3.14Å; F59-L62 WeakPolarHBondContact O-CB 3.32Å; F59-L62 PolarHBondContact O-N 3.07Å; T60-L62 VanDerWaalsContact C-N 3.35Å; T60-L62 PolarHBondContact O-N 3.35Å; L62-E64 PolarHBondContact O-N 3.1Å; L62-G65 WeakPolarHBondContact O-CA 3.37Å; L62-G65 PolarHBondContact O-N 3.15Å; L62-R66 WeakPolarHBondContact CA-O 3.14Å; L62-R66 PolarHBondContact N-O 3.41Å; L62-L67 HydrophobicContact CD1-CD2 3.48Å; L62-L67 VanDerWaalsContact CD1-CD2 3.48Å; L62-V147 HydrophobicContact CD1-CG1 4.27Å; L62-V147 HydrophobicContact CD2-CB 4.28Å; L62-V147 HydrophobicContact CD2-CG1 3.47Å; L62-V147 VanDerWaalsContact CD2-CG1 3.47Å; L62-V147 HydrophobicContact CG-CG1 4.48Å; L62-A170 HydrophobicContact CD1-CB 4.48Å; L62-A170 HydrophobicContact CD2-CB 3.72Å; L62-A170 HydrophobicContact CG-CB 3.77Å; L62-V172 HydrophobicContact CD1-CG2 4.18Å |
| 63 | L | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -26.9 | 173.9 | -65.8 | -179.4 | 0 | 0 | 0 | 112.6 | A17 A20 F59 T60 R61 G65 H83 P85 V168 | A17-L63 HydrophobicContact CB-CB 3.65Å; A17-L63 HydrophobicContact CB-CD1 4.47Å; A20-L63 HydrophobicContact CB-CD1 3.87Å; F59-L63 HydrophobicContact CD1-CD1 4.25Å; F59-L63 HydrophobicContact CE1-CD1 3.68Å; F59-L63 HydrophobicContact CE1-CG 4.41Å; F59-L63 HydrophobicContact CE2-CD1 4.32Å; F59-L63 HydrophobicContact CE2-CD2 4.3Å; F59-L63 HydrophobicContact CE2-CG 4.27Å; F59-L63 HydrophobicContact CZ-CD1 3.72Å; F59-L63 HydrophobicContact CZ-CD2 4.31Å; F59-L63 HydrophobicContact CZ-CG 4.16Å; F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.26Å; T60-L63 PolarHBondContact O-N 2.9Å; R61-L63 VanDerWaalsContact C-N 3.34Å; R61-L63 PolarHBondContact O-N 3.4Å; L63-G65 PolarHBondContact O-N 3.15Å; L63-H83 PolarHBondContact O-ND1 3.34Å; L63-P85 HydrophobicContact CB-CB 4.35Å; L63-P85 VanDerWaalsContact CD2-O 3.3Å; L63-P85 WeakPolarHBondContact CD2-O 3.41Å; L63-P85 VanDerWaalsContact O-CA 3.31Å; L63-P85 WeakPolarHBondContact O-CA 3.37Å; L63-V168 HydrophobicContact CD2-CG1 4.08Å |
| 64 | E | 90.3 | Very high | 89.4 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -3.8 | 171.2 | -65.5 | 176.5 | 163.9 | 0 | 0 | 113.2 | A17 T60 R61 L62 R66 N81 | A17-E64 HydrophobicContact CB-CG 3.78Å; T60-E64 WeakPolarHBondContact O-CG 3.41Å; T60-E64 PolarHBondContact O-N 2.93Å; T60-E64 VanDerWaalsContact O-N 3.13Å; R61-E64 CarbonylContact O-C 3.48Å; R61-E64 WeakPolarHBondContact O-CA 3.4Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.24Å; L62-E64 PolarHBondContact O-N 3.1Å; E64-R66 IonicContact OE2-CZ 2.86Å; E64-R66 IonicContact OE2-NH1 3.6Å; E64-R66 PolarHBondContact OE2-NH1 3.46Å; E64-N81 PolarHBondContact O-ND2 2.92Å |
| 65 | G | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 21 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R61 L62 L63 L73 | R61-G65 PolarHBondContact O-N 2.87Å; L62-G65 WeakPolarHBondContact O-CA 3.37Å; L62-G65 PolarHBondContact O-N 3.15Å; L63-G65 PolarHBondContact O-N 3.15Å; G65-L73 PolarHBondContact O-N 2.75Å |
| 66 | R | 91.7 | Very high | 88.8 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -107.2 | 117.5 | 175.3 | -64.5 | 179.8 | -179.9 | 104.1 | 7.2 | 110 | R61 L62 E64 D72 | R61-R66 CarbonylContact C-O 3.54Å; R61-R66 VanDerWaalsContact C-O 3.32Å; R61-R66 HydrophobicContact CB-CB 4.21Å; R61-R66 PolarHBondContact O-N 3Å; L62-R66 WeakPolarHBondContact CA-O 3.14Å; L62-R66 PolarHBondContact N-O 3.41Å; E64-R66 IonicContact OE2-CZ 2.86Å; E64-R66 IonicContact OE2-NH1 3.6Å; E64-R66 PolarHBondContact OE2-NH1 3.46Å; R66-D72 IonicContact NE-OD2 2.78Å |
| 67 | L | 92.2 | Very high | 88.5 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | trans | -95.3 | 152 | -170.5 | -65.9 | 155.8 | 0 | 0 | 0 | 112.1 | L48 L62 D69 G70 A71 L73 V172 W179 | L48-L67 HydrophobicContact CD1-CD2 3.8Å; L62-L67 HydrophobicContact CD1-CD2 3.48Å; L62-L67 VanDerWaalsContact CD1-CD2 3.48Å; L67-D69 WeakPolarHBondContact CB-OD1 3.38Å; L67-D69 PolarHBondContact O-N 3.29Å; L67-G70 PolarHBondContact O-N 2.79Å; L67-A71 HydrophobicContact CB-CB 4.19Å; L67-A71 WeakPolarHBondContact CB-O 3.39Å; L67-A71 HydrophobicContact CD1-CB 3.61Å; L67-A71 HydrophobicContact CG-CB 4.49Å; L67-A71 PolarHBondContact N-O 3.06Å; L67-L73 HydrophobicContact CD1-CD1 4.18Å; L67-V172 HydrophobicContact CD2-CB 4.28Å; L67-V172 HydrophobicContact CD2-CG1 4.29Å; L67-V172 HydrophobicContact CD2-CG2 4.01Å; L67-W179 HydrophobicContact CD1-CB 3.54Å; L67-W179 HydrophobicContact CD1-CD2 3.72Å; L67-W179 HydrophobicContact CD1-CE3 4.27Å; L67-W179 HydrophobicContact CD1-CG 3.36Å; L67-W179 HydrophobicContact CD2-CD2 4.44Å; L67-W179 HydrophobicContact CD2-CE3 4.44Å | ||
| 68 | P | 89.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.5 | -179.7 | -16.4 | 27.2 | 0 | 0 | 0 | 114.4 | L50 V58 G70 | L50-P68 HydrophobicContact CD1-CG 4.12Å; L50-P68 HydrophobicContact CD2-CG 3.98Å; L50-P68 HydrophobicContact CG-CG 4.27Å; V58-P68 HydrophobicContact CG1-CG 4.07Å; P68-G70 PolarHBondContact O-N 2.83Å |
| 69 | D | 89 | Confident | 87.6 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.8 | 178.2 | 67.9 | -10.6 | 0 | 0 | 0 | 113.3 | L48 L67 A71 W179 | L48-D69 HydrophobicContact CD2-CB 3.89Å; L67-D69 WeakPolarHBondContact CB-OD1 3.38Å; L67-D69 PolarHBondContact O-N 3.29Å; D69-A71 WeakPolarHBondContact OD1-CB 3.25Å; D69-A71 PolarHBondContact OD1-N 2.8Å; D69-W179 PolarHBondContact OD2-NE1 3.28Å |
| 70 | G | 86.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 95.4 | -5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L67 P68 | L67-G70 PolarHBondContact O-N 2.79Å; P68-G70 PolarHBondContact O-N 2.83Å |
| 71 | A | 88.1 | Confident | 86.6 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | trans | -68.9 | 139.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L67 D69 W179 | L67-A71 HydrophobicContact CB-CB 4.19Å; L67-A71 WeakPolarHBondContact CB-O 3.39Å; L67-A71 HydrophobicContact CD1-CB 3.61Å; L67-A71 HydrophobicContact CG-CB 4.49Å; L67-A71 PolarHBondContact N-O 3.06Å; D69-A71 WeakPolarHBondContact OD1-CB 3.25Å; D69-A71 PolarHBondContact OD1-N 2.8Å; A71-W179 HydrophobicContact CB-CG 4.39Å | ||
| 72 | D | 88.4 | Confident | 86.4 | Confident | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -128.7 | 114.9 | -179.3 | -168.1 | -12.8 | 0 | 0 | 0 | 110.5 | R66 S74 | R66-D72 IonicContact NE-OD2 2.78Å; D72-S74 VanDerWaalsContact CG-OG 3.31Å; D72-S74 WeakPolarHBondContact OD1-CA 3.36Å; D72-S74 WeakPolarHBondContact OD1-CB 3.3Å; D72-S74 PolarHBondContact OD1-N 2.95Å; D72-S74 PolarHBondContact OD1-OG 3.27Å; D72-S74 PolarHBondContact OD2-OG 2.63Å |
| 73 | L | 87.1 | Confident | 86.2 | Confident | 42 Ų | 42 | 68.8 Ų | 68.8 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | trans | -97.8 | 0.2 | 177.3 | -75.4 | 162.9 | 0 | 0 | 0 | 112.6 | G65 L67 V172 W179 | G65-L73 PolarHBondContact O-N 2.75Å; L67-L73 HydrophobicContact CD1-CD1 4.18Å; L73-V172 HydrophobicContact CD1-CB 4.16Å; L73-V172 HydrophobicContact CD1-CG1 3.55Å; L73-W179 HydrophobicContact CD1-CB 4.12Å; L73-W179 WeakPolarHBondContact CD2-O 3.48Å | ||
| 74 | S | 84.7 | Confident | 86.1 | Confident | 28 Ų | 28 | 76 Ų | 76 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | trans | -67.8 | 141.5 | -177 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | D72 | D72-S74 VanDerWaalsContact CG-OG 3.31Å; D72-S74 WeakPolarHBondContact OD1-CA 3.36Å; D72-S74 WeakPolarHBondContact OD1-CB 3.3Å; D72-S74 PolarHBondContact OD1-N 2.95Å; D72-S74 PolarHBondContact OD1-OG 3.27Å; D72-S74 PolarHBondContact OD2-OG 2.63Å | ||
| 75 | R | 83.8 | Confident | 86.1 | Confident | 201 Ų | 201 | 74 Ų | 74 | 76% | 0.758 | 40% | 0.398 | S | S | * | . | trans | -130.6 | 99.9 | 176.3 | -121.4 | -176.7 | -176.6 | -179.1 | 2.8 | 108.7 | Q77 N81 K82 | R75-Q77 PolarHBondContact O-N 3.4Å; R75-N81 PolarHBondContact N-OD1 3.25Å; R75-N81 VanDerWaalsContact N-OD1 3.14Å; R75-K82 HydrophobicContact CB-CB 4.35Å; R75-K82 WeakPolarHBondContact O-CB 3.16Å; R75-K82 PolarHBondContact O-N 3.32Å | ||
| 76 | M | 83.1 | Confident | 86.1 | Confident | 116 Ų | 116 | 74 Ų | 74 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.8 | 178.3 | -66.5 | -61 | -71.7 | 0 | 0 | 109.8 | N81 | M76-N81 HydrophobicContact SD-CB 3.87Å |
| 77 | Q | 79.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124 | 172.2 | -172.9 | 177.8 | 12.1 | 0 | 0 | 108.4 | R75 G79 S80 K82 | R75-Q77 PolarHBondContact O-N 3.4Å; Q77-G79 VanDerWaalsContact C-N 3.28Å; Q77-G79 PolarHBondContact O-N 3.05Å; Q77-S80 PolarHBondContact N-O 3.35Å; Q77-S80 PolarHBondContact O-N 3.37Å; Q77-S80 VanDerWaalsContact O-N 3.07Å; Q77-S80 PolarHBondContact O-OG 3.11Å; Q77-K82 HydrophobicContact CB-CD 4.38Å; Q77-K82 HydrophobicContact CB-CG 3.8Å |
| 78 | D | 82.5 | Confident | 86.2 | Confident | 149 Ų | 149 | 70.6 Ų | 70.6 | 80% | 0.797 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 38.6 | -177.7 | -48.7 | -41.6 | 0 | 0 | 0 | 113.8 | S80 | D78-S80 PolarHBondContact O-N 2.99Å; D78-S80 VanDerWaalsContact O-N 3.17Å |
| 79 | G | 77.9 | Confident | 86.4 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -1.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q77 | Q77-G79 VanDerWaalsContact C-N 3.28Å; Q77-G79 PolarHBondContact O-N 3.05Å |
| 80 | S | 77 | Confident | 86.6 | Confident | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.2 | 175 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | Q77 D78 K82 | Q77-S80 PolarHBondContact N-O 3.35Å; Q77-S80 PolarHBondContact O-N 3.37Å; Q77-S80 VanDerWaalsContact O-N 3.07Å; Q77-S80 PolarHBondContact O-OG 3.11Å; D78-S80 PolarHBondContact O-N 2.99Å; D78-S80 VanDerWaalsContact O-N 3.17Å; S80-K82 PolarHBondContact O-N 2.92Å |
| 81 | N | 83.1 | Confident | 86.9 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.5 | 169.5 | -171.4 | 3 | 0 | 0 | 0 | 108.8 | E64 R75 M76 H83 | E64-N81 PolarHBondContact O-ND2 2.92Å; R75-N81 PolarHBondContact N-OD1 3.25Å; R75-N81 VanDerWaalsContact N-OD1 3.14Å; M76-N81 HydrophobicContact SD-CB 3.87Å; N81-H83 VanDerWaalsContact C-N 3.25Å; N81-H83 VanDerWaalsContact OD1-CB 3.27Å; N81-H83 WeakPolarHBondContact OD1-CB 3.24Å; N81-H83 PolarHBondContact OD1-N 2.85Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å |
| 82 | K | 86.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 47% | 0.47 | 31% | 0.311 | S | S | . | . | trans | -77.9 | -11.6 | 177.9 | -66.6 | -75.1 | 175.9 | 175.2 | 0 | 112.7 | R75 Q77 S80 R84 | R75-K82 HydrophobicContact CB-CB 4.35Å; R75-K82 WeakPolarHBondContact O-CB 3.16Å; R75-K82 PolarHBondContact O-N 3.32Å; Q77-K82 HydrophobicContact CB-CD 4.38Å; Q77-K82 HydrophobicContact CB-CG 3.8Å; S80-K82 PolarHBondContact O-N 2.92Å; K82-R84 PolarHBondContact O-N 3.34Å | ||
| 83 | H | 87.6 | Confident | 87.3 | Confident | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -57.3 | 129.8 | 173 | -174.5 | -89 | 0 | 0 | 0 | 110.3 | L63 N81 N171 | L63-H83 PolarHBondContact O-ND1 3.34Å; N81-H83 VanDerWaalsContact C-N 3.25Å; N81-H83 VanDerWaalsContact OD1-CB 3.27Å; N81-H83 WeakPolarHBondContact OD1-CB 3.24Å; N81-H83 PolarHBondContact OD1-N 2.85Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å; H83-N171 PolarHBondContact NE2-O 3.35Å |
| 84 | R | 88.7 | Confident | 87.4 | Confident | 154 Ų | 154 | 54.2 Ų | 54.2 | 58% | 0.581 | 28% | 0.278 | S | S | * | . | trans | -78.1 | 130.1 | 174.4 | -68.7 | -74 | -174.5 | -166.8 | -2 | 108.3 | K82 G86 N171 | K82-R84 PolarHBondContact O-N 3.34Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 2.97Å; R84-N171 WeakPolarHBondContact O-CB 3.28Å; R84-N171 PolarHBondContact O-ND2 3.28Å | ||
| 85 | P | 89 | Confident | 87.6 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | trans | -60.3 | -40.9 | -174.8 | -26 | 34.4 | 0 | 0 | 0 | 114.3 | V14 L63 N171 | V14-P85 HydrophobicContact CB-CB 4.03Å; V14-P85 HydrophobicContact CG1-CB 3.76Å; L63-P85 HydrophobicContact CB-CB 4.35Å; L63-P85 VanDerWaalsContact CD2-O 3.3Å; L63-P85 WeakPolarHBondContact CD2-O 3.41Å; L63-P85 VanDerWaalsContact O-CA 3.31Å; L63-P85 WeakPolarHBondContact O-CA 3.37Å; P85-N171 PolarHBondContact O-N 3.44Å | ||
| 86 | G | 91.5 | Very high | 88 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146 | -161.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V14 R84 V169 | V14-G86 PolarHBondContact N-O 2.63Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 2.97Å; G86-V169 CarbonylContact C-O 3.5Å; G86-V169 WeakPolarHBondContact CA-O 3.24Å |
| 87 | Y | 93.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 8% | 0.078 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.3 | -178 | -54.3 | -77.9 | 0 | 0 | 0 | 110 | Q13 V168 V169 L182 F192 I193 | Q13-Y87 HydrophobicContact CG-CE1 4.48Å; Y87-V168 CarbonylContact O-C 3.14Å; Y87-V168 WeakPolarHBondContact O-CA 3.12Å; Y87-V169 PolarHBondContact N-O 2.87Å; Y87-V169 PolarHBondContact O-N 2.79Å; Y87-L182 HydrophobicContact CE2-CD1 4.45Å; Y87-F192 HydrophobicContact CD2-CD1 4.35Å; Y87-F192 HydrophobicContact CD2-CE1 4.23Å; Y87-F192 HydrophobicContact CE2-CD1 4.32Å; Y87-I193 HydrophobicContact CD1-CD1 3.52Å; Y87-I193 HydrophobicContact CD1-CG1 3.84Å; Y87-I193 HydrophobicContact CD2-CD1 4.24Å; Y87-I193 HydrophobicContact CE1-CB 3.97Å; Y87-I193 HydrophobicContact CE1-CD1 3.81Å; Y87-I193 HydrophobicContact CE1-CG1 3.57Å; Y87-I193 HydrophobicContact CE1-CG2 4.36Å; Y87-I193 HydrophobicContact CE2-CB 4.2Å; Y87-I193 HydrophobicContact CE2-CD1 4.5Å; Y87-I193 HydrophobicContact CG-CD1 3.75Å; Y87-I193 HydrophobicContact CG-CG1 4.41Å |
| 88 | D | 92.4 | Very high | 89 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.7 | 175.3 | 175.6 | 5.5 | 0 | 0 | 0 | 108.3 | A12 V14 Y24 T90 H166 | A12-D88 HydrophobicContact CB-CB 4.3Å; A12-D88 PolarHBondContact N-O 2.77Å; A12-D88 PolarHBondContact O-N 2.92Å; V14-D88 HydrophobicContact CG2-CB 4.13Å; Y24-D88 WeakPolarHBondContact OH-CB 3.14Å; Y24-D88 VanDerWaalsContact OH-CG 3.27Å; Y24-D88 PolarHBondContact OH-OD2 3.31Å; D88-T90 PolarHBondContact OD1-OG1 3.27Å; D88-T90 VanDerWaalsContact OD1-OG1 3.09Å; D88-H166 IonicContact OD1-CG 3.72Å; D88-H166 IonicContact OD1-ND1 3Å; D88-H166 PolarHBondContact OD1-ND1 2.98Å; D88-H166 IonicContact OD2-CE1 3.62Å; D88-H166 PolarHBondContact OD2-CE1 3.08Å; D88-H166 IonicContact OD2-CG 2.79Å; D88-H166 IonicContact OD2-ND1 2.77Å; D88-H166 PolarHBondContact OD2-ND1 2.99Å |
| 89 | L | 94.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 97.9 | 175.7 | -52.8 | 178.3 | 0 | 0 | 0 | 107.7 | I11 F91 V124 A167 V169 V196 | I11-L89 HydrophobicContact CB-CD2 4.33Å; I11-L89 HydrophobicContact CG1-CD2 3.88Å; I11-L89 HydrophobicContact CG2-CD2 3.95Å; L89-F91 HydrophobicContact CB-CE2 4.07Å; L89-F91 WeakPolarHBondContact O-CD2 3.4Å; L89-V124 HydrophobicContact CD1-CB 4.48Å; L89-V124 HydrophobicContact CD1-CG1 3.67Å; L89-V124 HydrophobicContact CD1-CG2 4.21Å; L89-A167 HydrophobicContact CB-CB 4.21Å; L89-A167 PolarHBondContact N-O 3.35Å; L89-A167 WeakPolarHBondContact O-CB 3.23Å; L89-A167 PolarHBondContact O-N 3.07Å; L89-V169 HydrophobicContact CD1-CG2 3.76Å; L89-V169 HydrophobicContact CG-CG2 4.14Å; L89-V196 HydrophobicContact CD2-CG1 3.92Å |
| 90 | T | 92.5 | Very high | 90.1 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.2 | -175.3 | -46.6 | 0 | 0 | 0 | 0 | 110.7 | M9 S10 D88 H164 T165 H166 | M9-T90 VanDerWaalsContact CA-O 3.31Å; M9-T90 WeakPolarHBondContact CA-O 3.47Å; S10-T90 PolarHBondContact N-O 3.37Å; S10-T90 PolarHBondContact O-N 2.95Å; S10-T90 WeakPolarHBondContact OG-CB 3.27Å; D88-T90 PolarHBondContact OD1-OG1 3.27Å; D88-T90 VanDerWaalsContact OD1-OG1 3.09Å; T90-H164 HydrophobicContact CG2-CB 4.18Å; T90-T165 CarbonylContact C-O 3.54Å; T90-T165 VanDerWaalsContact CA-O 3.3Å; T90-T165 WeakPolarHBondContact CA-O 3.39Å; T90-H166 PolarHBondContact OG1-CE1 2.7Å; T90-H166 PolarHBondContact OG1-ND1 2.6Å; T90-H166 VanDerWaalsContact OG1-ND1 3.15Å |
| 91 | F | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.7 | 176.1 | -66.4 | -86.3 | 0 | 0 | 0 | 110.6 | M8 M9 L89 V117 A120 V121 H164 T165 A167 Y207 | M8-F91 CarbonylContact O-C 3.48Å; M8-F91 WeakPolarHBondContact O-CA 3.38Å; M9-F91 HydrophobicContact CB-CD1 4.18Å; M9-F91 HydrophobicContact CB-CE1 4.13Å; M9-F91 HydrophobicContact CG-CD1 3.99Å; M9-F91 HydrophobicContact CG-CE1 3.68Å; M9-F91 HydrophobicContact CG-CZ 3.99Å; M9-F91 HydrophobicContact SD-CD1 4.45Å; M9-F91 HydrophobicContact SD-CE1 3.56Å; M9-F91 VanDerWaalsContact SD-CE1 3.56Å; M9-F91 HydrophobicContact SD-CE2 4.47Å; M9-F91 HydrophobicContact SD-CZ 3.58Å; M9-F91 VanDerWaalsContact SD-CZ 3.58Å; L89-F91 HydrophobicContact CB-CE2 4.07Å; L89-F91 WeakPolarHBondContact O-CD2 3.4Å; F91-V117 HydrophobicContact CB-CG2 3.95Å; F91-V117 HydrophobicContact CD2-CG1 4.19Å; F91-V117 HydrophobicContact CG-CG2 4.38Å; F91-A120 HydrophobicContact CD1-CB 4.5Å; F91-A120 HydrophobicContact CE1-CB 3.8Å; F91-A120 HydrophobicContact CZ-CB 4.06Å; F91-V121 HydrophobicContact CE2-CG2 3.78Å; F91-V121 HydrophobicContact CZ-CG2 4.31Å; F91-H164 CarbonylContact O-C 3.52Å; F91-H164 WeakPolarHBondContact O-CA 3.5Å; F91-H164 WeakPolarHBondContact O-CB 3.37Å; F91-T165 PolarHBondContact N-O 3.12Å; F91-T165 PolarHBondContact O-N 3.35Å; F91-A167 HydrophobicContact CD2-CB 4.28Å; F91-A167 HydrophobicContact CE2-CB 4.09Å; F91-Y207 HydrophobicContact CB-CD2 4.34Å; F91-Y207 HydrophobicContact CB-CE2 4.29Å; F91-Y207 HydrophobicContact CD1-CD1 4.32Å; F91-Y207 HydrophobicContact CD1-CD2 4.16Å; F91-Y207 AromaticContact CD1-CG 3.84Å; F91-Y207 HydrophobicContact CD1-CG 3.84Å |
| 92 | S | 91.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 18.7 Ų | 18.7 | 17% | 0.168 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.7 | -177.6 | -55.1 | 0 | 0 | 0 | 0 | 111 | M8 Y207 | M8-S92 PolarHBondContact O-N 3.41Å; S92-Y207 WeakPolarHBondContact O-CE1 3.48Å |
| 93 | A | 92.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 3% | 0.025 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 154.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V97 Q162 L163 Y207 L211 | A93-V97 HydrophobicContact CB-CB 4.44Å; A93-V97 HydrophobicContact CB-CG1 4.33Å; A93-Q162 PolarHBondContact O-NE2 3.29Å; A93-L163 HydrophobicContact CB-CB 4.09Å; A93-L163 HydrophobicContact CB-CD2 4.42Å; A93-L163 HydrophobicContact CB-CG 4.37Å; A93-L163 WeakPolarHBondContact CB-O 3.34Å; A93-L163 PolarHBondContact N-O 3.06Å; A93-Y207 WeakPolarHBondContact CA-OH 3.26Å; A93-Y207 WeakPolarHBondContact CB-OH 3.39Å; A93-Y207 PolarHBondContact N-OH 3.2Å; A93-L211 HydrophobicContact CB-CD2 4.4Å |
| 94 | P | 90.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -51.7 | 153.1 | 166 | -17.8 | 26.2 | 0 | 0 | 0 | 111.1 | M8 V97 S98 L211 W231 | M8-P94 HydrophobicContact CE-CB 4.1Å; M8-P94 HydrophobicContact CE-CG 3.64Å; P94-V97 HydrophobicContact CB-CB 4.37Å; P94-V97 HydrophobicContact CB-CG2 3.96Å; P94-V97 HydrophobicContact CG-CB 4.46Å; P94-V97 HydrophobicContact CG-CG2 3.84Å; P94-V97 PolarHBondContact O-N 2.68Å; P94-S98 PolarHBondContact O-N 3.27Å; P94-S98 PolarHBondContact O-OG 3.5Å; P94-S98 VanDerWaalsContact O-OG 3.07Å; P94-L211 VanDerWaalsContact CD-CD2 3.49Å; P94-L211 HydrophobicContact CG-CD2 4.25Å; P94-W231 HydrophobicContact CG-CD2 4.42Å; P94-W231 HydrophobicContact CG-CH2 4.12Å; P94-W231 HydrophobicContact CG-CZ2 3.96Å; P94-W231 HydrophobicContact CG-CZ3 4.4Å |
| 95 | K | 88.8 | Confident | 90.2 | Very high | 10 Ų | 10 | 8.7 Ų | 8.7 | 4% | 0.043 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -72.8 | -37.2 | -171.6 | -157.8 | 61.4 | 160 | -176.7 | 0 | 111.5 | V97 S98 M99 P161 E232 V238 F241 | K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 2.92Å; K95-S98 WeakPolarHBondContact O-CB 3.42Å; K95-S98 PolarHBondContact O-N 3.12Å; K95-M99 WeakPolarHBondContact O-CG 3.23Å; K95-M99 PolarHBondContact O-N 3.36Å; K95-P161 WeakPolarHBondContact CD-O 3.31Å; K95-P161 WeakPolarHBondContact CE-O 3.5Å; K95-P161 PolarHBondContact NZ-O 3.31Å; K95-E232 PolarHBondContact N-OE1 3.43Å; K95-E232 PolarHBondContact N-OE2 2.78Å; K95-V238 HydrophobicContact CB-CG1 3.59Å; K95-V238 HydrophobicContact CB-CG2 4.37Å; K95-V238 HydrophobicContact CG-CG1 3.96Å; K95-F241 WeakPolarHBondContact CE-O 3.45Å; K95-F241 PolarHBondContact NZ-O 3.24Å |
| 96 | S | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | 172.2 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | M99 M100 E232 M233 | S96-M99 PolarHBondContact O-N 2.9Å; S96-M100 WeakPolarHBondContact O-CG 3.39Å; S96-M100 PolarHBondContact O-N 2.97Å; S96-E232 WeakPolarHBondContact CB-OE2 3.26Å; S96-E232 PolarHBondContact N-OE2 3.42Å; S96-E232 PolarHBondContact OG-OE2 3.27Å; S96-M233 PolarHBondContact OG-N 3.31Å |
| 97 | V | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | A93 P94 K95 M99 M100 A101 L109 V215 W231 M233 | A93-V97 HydrophobicContact CB-CB 4.44Å; A93-V97 HydrophobicContact CB-CG1 4.33Å; P94-V97 HydrophobicContact CB-CB 4.37Å; P94-V97 HydrophobicContact CB-CG2 3.96Å; P94-V97 HydrophobicContact CG-CB 4.46Å; P94-V97 HydrophobicContact CG-CG2 3.84Å; P94-V97 PolarHBondContact O-N 2.68Å; K95-V97 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 2.92Å; V97-M99 VanDerWaalsContact C-N 3.33Å; V97-M99 PolarHBondContact O-N 3.29Å; V97-M100 PolarHBondContact O-N 2.64Å; V97-A101 WeakPolarHBondContact O-CB 3.47Å; V97-A101 PolarHBondContact O-N 2.69Å; V97-L109 HydrophobicContact CG1-CB 4.46Å; V97-V215 HydrophobicContact CG2-CG2 4.45Å; V97-W231 HydrophobicContact CG2-CH2 3.71Å; V97-W231 HydrophobicContact CG2-CZ3 4.01Å; V97-M233 HydrophobicContact CB-CE 4.11Å; V97-M233 HydrophobicContact CG2-CE 3.53Å |
| 98 | S | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | P94 K95 M102 L163 | P94-S98 PolarHBondContact O-N 3.27Å; P94-S98 PolarHBondContact O-OG 3.5Å; P94-S98 VanDerWaalsContact O-OG 3.07Å; K95-S98 WeakPolarHBondContact O-CB 3.42Å; K95-S98 PolarHBondContact O-N 3.12Å; S98-M102 VanDerWaalsContact O-CB 3.22Å; S98-M102 WeakPolarHBondContact O-CB 3.39Å; S98-M102 VanDerWaalsContact O-CG 3.28Å; S98-M102 WeakPolarHBondContact O-CG 3.41Å; S98-M102 PolarHBondContact O-N 3.39Å; S98-L163 PolarHBondContact OG-N 3.32Å |
| 99 | M | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 179.1 | -69.1 | -170.4 | -65.1 | 0 | 0 | 112.5 | K95 S96 V97 A101 M102 L103 G104 V236 V238 F241 | K95-M99 WeakPolarHBondContact O-CG 3.23Å; K95-M99 PolarHBondContact O-N 3.36Å; S96-M99 PolarHBondContact O-N 2.9Å; V97-M99 VanDerWaalsContact C-N 3.33Å; V97-M99 PolarHBondContact O-N 3.29Å; M99-A101 VanDerWaalsContact C-N 3.34Å; M99-A101 PolarHBondContact O-N 3.24Å; M99-M102 PolarHBondContact O-N 2.86Å; M99-L103 HydrophobicContact CB-CD1 4.29Å; M99-L103 HydrophobicContact CG-CD1 4.28Å; M99-L103 WeakPolarHBondContact O-CA 3.38Å; M99-L103 WeakPolarHBondContact O-CB 3.29Å; M99-L103 PolarHBondContact O-N 3.42Å; M99-G104 PolarHBondContact O-N 2.92Å; M99-V236 HydrophobicContact CE-CG1 3.29Å; M99-V238 HydrophobicContact CE-CB 4.48Å; M99-V238 HydrophobicContact CE-CG2 4Å; M99-F241 HydrophobicContact CG-CD2 4.41Å; M99-F241 HydrophobicContact SD-CB 4.38Å; M99-F241 HydrophobicContact SD-CD2 3.28Å; M99-F241 WeakPolarHBondContact SD-CD2 3.34Å; M99-F241 HydrophobicContact SD-CE2 3.79Å; M99-F241 HydrophobicContact SD-CG 4.09Å |
| 100 | M | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 179.1 | -70.3 | -53.5 | -58.6 | 0 | 0 | 112.6 | S96 V97 G104 G105 D106 L109 Y220 M233 F293 I295 Y298 R299 | S96-M100 WeakPolarHBondContact O-CG 3.39Å; S96-M100 PolarHBondContact O-N 2.97Å; V97-M100 PolarHBondContact O-N 2.64Å; M100-G104 CarbonylContact O-C 3.54Å; M100-G104 WeakPolarHBondContact O-CA 3.38Å; M100-G104 PolarHBondContact O-N 2.83Å; M100-G105 PolarHBondContact O-N 3.34Å; M100-D106 PolarHBondContact O-N 3.27Å; M100-L109 HydrophobicContact CB-CD1 3.41Å; M100-L109 VanDerWaalsContact CB-CD1 3.41Å; M100-Y220 HydrophobicContact CE-CE1 4.23Å; M100-M233 HydrophobicContact CB-CE 4.4Å; M100-M233 HydrophobicContact CG-CE 4.34Å; M100-M233 HydrophobicContact CG-SD 4.05Å; M100-F293 HydrophobicContact SD-CE1 3.9Å; M100-F293 HydrophobicContact SD-CZ 4.11Å; M100-I295 HydrophobicContact SD-CG1 4.15Å; M100-Y298 HydrophobicContact CE-CD1 4.05Å; M100-Y298 HydrophobicContact SD-CD1 4.26Å; M100-R299 HydrophobicContact CE-CG 3.54Å |
| 101 | A | 90.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.3 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V97 M99 G105 D106 L109 I110 L163 | V97-A101 WeakPolarHBondContact O-CB 3.47Å; V97-A101 PolarHBondContact O-N 2.69Å; M99-A101 VanDerWaalsContact C-N 3.34Å; M99-A101 PolarHBondContact O-N 3.24Å; A101-G105 PolarHBondContact O-N 2.95Å; A101-D106 PolarHBondContact O-N 2.94Å; A101-L109 HydrophobicContact CB-CB 3.91Å; A101-L109 HydrophobicContact CB-CD1 4.49Å; A101-I110 HydrophobicContact CB-CG1 3.96Å; A101-L163 HydrophobicContact CB-CD2 4.42Å |
| 102 | M | 85.6 | Confident | 90.2 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 5% | 0.054 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -89.6 | -54.8 | -170.1 | -64.6 | 176.7 | 58.6 | 0 | 0 | 113.4 | V32 S98 M99 D154 P161 W284 | V32-M102 HydrophobicContact CB-CE 3.71Å; V32-M102 HydrophobicContact CG1-CB 3.81Å; V32-M102 HydrophobicContact CG1-CE 3.6Å; V32-M102 HydrophobicContact CG1-CG 4.22Å; V32-M102 HydrophobicContact CG2-CE 4.09Å; S98-M102 VanDerWaalsContact O-CB 3.22Å; S98-M102 WeakPolarHBondContact O-CB 3.39Å; S98-M102 VanDerWaalsContact O-CG 3.28Å; S98-M102 WeakPolarHBondContact O-CG 3.41Å; S98-M102 PolarHBondContact O-N 3.39Å; M99-M102 PolarHBondContact O-N 2.86Å; M102-D154 HydrophobicContact CE-CB 3.53Å; M102-D154 WeakPolarHBondContact CE-O 3.27Å; M102-D154 HydrophobicContact SD-CB 3.91Å; M102-P161 HydrophobicContact CE-CB 4.09Å; M102-P161 HydrophobicContact SD-CB 4.08Å; M102-W284 HydrophobicContact CE-CH2 4.22Å; M102-W284 HydrophobicContact CE-CZ3 3.71Å |
| 103 | L | 84.8 | Confident | 90.4 | Very high | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -33 | 179.4 | -67.8 | 86.8 | 0 | 0 | 0 | 111 | M99 G105 P161 F241 W284 L288 I295 | M99-L103 HydrophobicContact CB-CD1 4.29Å; M99-L103 HydrophobicContact CG-CD1 4.28Å; M99-L103 WeakPolarHBondContact O-CA 3.38Å; M99-L103 WeakPolarHBondContact O-CB 3.29Å; M99-L103 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact C-N 3.28Å; L103-P161 HydrophobicContact CD1-CB 3.75Å; L103-P161 HydrophobicContact CD1-CG 3.69Å; L103-F241 HydrophobicContact CD2-CZ 4.32Å; L103-W284 HydrophobicContact CD2-CB 4.01Å; L103-L288 HydrophobicContact CD2-CB 4.07Å; L103-L288 HydrophobicContact CD2-CD1 4.16Å; L103-L288 HydrophobicContact CD2-CG 4.49Å; L103-I295 HydrophobicContact CB-CD1 3.91Å |
| 104 | G | 82.4 | Confident | 90.5 | Very high | 8 Ų | 8 | 22 Ų | 22 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -76.8 | -15.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M99 M100 D106 R299 | M99-G104 PolarHBondContact O-N 2.92Å; M100-G104 CarbonylContact O-C 3.54Å; M100-G104 WeakPolarHBondContact O-CA 3.38Å; M100-G104 PolarHBondContact O-N 2.83Å; G104-D106 PolarHBondContact O-N 3.43Å; G104-R299 PolarHBondContact O-NH1 3.15Å |
| 105 | G | 83.6 | Confident | 90.7 | Very high | 46 Ų | 46 | 26.5 Ų | 26.5 | 47% | 0.474 | 14% | 0.138 | S | C | . | . | trans | 63.2 | 19.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M100 A101 L103 K107 | M100-G105 PolarHBondContact O-N 3.34Å; A101-G105 PolarHBondContact O-N 2.95Å; L103-G105 VanDerWaalsContact C-N 3.28Å; G105-K107 PolarHBondContact O-N 3.41Å | ||
| 106 | D | 89.4 | Confident | 90.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | trans | -85.1 | 90.8 | 176.9 | -159.3 | -29.3 | 0 | 0 | 0 | 110.8 | M100 A101 G104 R108 L109 Y220 R299 | M100-D106 PolarHBondContact O-N 3.27Å; A101-D106 PolarHBondContact O-N 2.94Å; G104-D106 PolarHBondContact O-N 3.43Å; D106-R108 PolarHBondContact O-N 3.21Å; D106-R108 VanDerWaalsContact OD1-CB 3.24Å; D106-R108 WeakPolarHBondContact OD1-CB 3.44Å; D106-R108 WeakPolarHBondContact OD1-CG 3.26Å; D106-R108 IonicContact OD1-CZ 3.9Å; D106-R108 PolarHBondContact OD1-N 2.97Å; D106-R108 VanDerWaalsContact OD1-N 3.13Å; D106-R108 IonicContact OD1-NE 3.47Å; D106-R108 PolarHBondContact OD1-NE 3.25Å; D106-R108 IonicContact OD1-NH2 3.94Å; D106-R108 IonicContact OD2-CZ 3.09Å; D106-R108 IonicContact OD2-NE 3.79Å; D106-R108 PolarHBondContact OD2-NE 3.24Å; D106-R108 IonicContact OD2-NH2 2.75Å; D106-R108 PolarHBondContact OD2-NH2 2.8Å; D106-L109 HydrophobicContact CB-CD1 4.19Å; D106-L109 HydrophobicContact CB-CG 4.4Å; D106-L109 WeakPolarHBondContact O-CB 3.32Å; D106-L109 PolarHBondContact O-N 3.37Å; D106-Y220 PolarHBondContact OD2-OH 2.86Å; D106-R299 IonicContact OD2-CZ 2.72Å; D106-R299 IonicContact OD2-NE 3.99Å; D106-R299 PolarHBondContact OD2-NE 3.1Å; D106-R299 IonicContact OD2-NH2 3.5Å | ||
| 107 | K | 90 | Very high | 91.1 | Very high | 138 Ų | 138 | 26 Ų | 26 | 60% | 0.6 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -65.2 | -19.2 | -178.7 | -61.6 | -168.4 | 176.8 | -170.6 | 0 | 113.5 | G105 L109 I110 D111 | G105-K107 PolarHBondContact O-N 3.41Å; K107-L109 PolarHBondContact O-N 3.42Å; K107-I110 HydrophobicContact CB-CD1 4.35Å; K107-I110 HydrophobicContact CG-CD1 4.23Å; K107-I110 WeakPolarHBondContact O-CA 3.41Å; K107-I110 WeakPolarHBondContact O-CB 3.42Å; K107-I110 PolarHBondContact O-N 2.87Å; K107-D111 PolarHBondContact O-N 3.44Å; K107-D111 VanDerWaalsContact O-N 3.1Å |
| 108 | R | 92.6 | Very high | 91.1 | Very high | 86 Ų | 86 | 28.1 Ų | 28.1 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.6 | -30.8 | 176.1 | -55.4 | 175 | -67.8 | -179 | -0.7 | 111.3 | D106 D111 A112 L218 D303 | D106-R108 PolarHBondContact O-N 3.21Å; D106-R108 VanDerWaalsContact OD1-CB 3.24Å; D106-R108 WeakPolarHBondContact OD1-CB 3.44Å; D106-R108 WeakPolarHBondContact OD1-CG 3.26Å; D106-R108 IonicContact OD1-CZ 3.9Å; D106-R108 PolarHBondContact OD1-N 2.97Å; D106-R108 VanDerWaalsContact OD1-N 3.13Å; D106-R108 IonicContact OD1-NE 3.47Å; D106-R108 PolarHBondContact OD1-NE 3.25Å; D106-R108 IonicContact OD1-NH2 3.94Å; D106-R108 IonicContact OD2-CZ 3.09Å; D106-R108 IonicContact OD2-NE 3.79Å; D106-R108 PolarHBondContact OD2-NE 3.24Å; D106-R108 IonicContact OD2-NH2 2.75Å; D106-R108 PolarHBondContact OD2-NH2 2.8Å; R108-D111 PolarHBondContact O-N 3.29Å; R108-A112 WeakPolarHBondContact O-CB 3.39Å; R108-A112 PolarHBondContact O-N 3.12Å; R108-L218 HydrophobicContact CB-CD1 3.86Å; R108-L218 HydrophobicContact CB-CD2 4.1Å; R108-D303 IonicContact CZ-OD1 3.68Å; R108-D303 VanDerWaalsContact CZ-OD1 3.31Å; R108-D303 IonicContact NH1-OD1 3.07Å; R108-D303 PolarHBondContact NH1-OD1 2.83Å; R108-D303 IonicContact NH2-OD1 2.78Å; R108-D303 PolarHBondContact NH2-OD1 3.07Å; R108-D303 IonicContact NH2-OD2 2.87Å |
| 109 | L | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.6 | -30.2 | 174.4 | -66.8 | 174.8 | 0 | 0 | 0 | 112.6 | V97 M100 A101 D106 K107 H113 V215 L218 Y220 M233 | V97-L109 HydrophobicContact CG1-CB 4.46Å; M100-L109 HydrophobicContact CB-CD1 3.41Å; M100-L109 VanDerWaalsContact CB-CD1 3.41Å; A101-L109 HydrophobicContact CB-CB 3.91Å; A101-L109 HydrophobicContact CB-CD1 4.49Å; D106-L109 HydrophobicContact CB-CD1 4.19Å; D106-L109 HydrophobicContact CB-CG 4.4Å; D106-L109 WeakPolarHBondContact O-CB 3.32Å; D106-L109 PolarHBondContact O-N 3.37Å; K107-L109 PolarHBondContact O-N 3.42Å; L109-H113 WeakPolarHBondContact O-CB 3.49Å; L109-H113 PolarHBondContact O-N 2.82Å; L109-V215 HydrophobicContact CD2-CG1 4.34Å; L109-V215 HydrophobicContact CD2-CG2 3.81Å; L109-L218 HydrophobicContact CD2-CD1 4.07Å; L109-Y220 HydrophobicContact CD1-CE2 4.18Å; L109-Y220 HydrophobicContact CD2-CD2 4Å; L109-Y220 HydrophobicContact CD2-CE2 3.83Å; L109-Y220 HydrophobicContact CG-CE2 4.18Å; L109-M233 HydrophobicContact CD1-CE 4.39Å |
| 110 | I | 92.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | 173.1 | -55.3 | 166.1 | 0 | 0 | 0 | 109.6 | L33 A101 K107 H113 N114 L163 | L33-I110 HydrophobicContact CD2-CD1 3.4Å; L33-I110 VanDerWaalsContact CD2-CD1 3.4Å; L33-I110 HydrophobicContact CD2-CG1 4Å; L33-I110 HydrophobicContact CD2-CG2 4.37Å; A101-I110 HydrophobicContact CB-CG1 3.96Å; K107-I110 HydrophobicContact CB-CD1 4.35Å; K107-I110 HydrophobicContact CG-CD1 4.23Å; K107-I110 WeakPolarHBondContact O-CA 3.41Å; K107-I110 WeakPolarHBondContact O-CB 3.42Å; K107-I110 PolarHBondContact O-N 2.87Å; I110-H113 WeakPolarHBondContact O-CB 3.49Å; I110-H113 PolarHBondContact O-N 2.86Å; I110-N114 WeakPolarHBondContact O-CB 3.37Å; I110-N114 VanDerWaalsContact O-CG 3.29Å; I110-N114 PolarHBondContact O-N 3.4Å; I110-N114 PolarHBondContact O-ND2 2.91Å; I110-L163 HydrophobicContact CG1-CD2 4.5Å |
| 111 | D | 93.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 29.7 Ų | 29.7 | 47% | 0.465 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.6 | -63.6 | -32.4 | 0 | 0 | 0 | 111.3 | K107 R108 H113 N114 Q115 | K107-D111 PolarHBondContact O-N 3.44Å; K107-D111 VanDerWaalsContact O-N 3.1Å; R108-D111 PolarHBondContact O-N 3.29Å; D111-H113 VanDerWaalsContact C-N 3.34Å; D111-H113 PolarHBondContact O-N 2.98Å; D111-N114 PolarHBondContact O-N 3.22Å; D111-Q115 VanDerWaalsContact O-CG 3.32Å; D111-Q115 WeakPolarHBondContact O-CG 3.29Å; D111-Q115 PolarHBondContact O-N 2.92Å |
| 112 | A | 94.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R108 Q115 A116 L211 Q214 L218 | R108-A112 WeakPolarHBondContact O-CB 3.39Å; R108-A112 PolarHBondContact O-N 3.12Å; A112-Q115 PolarHBondContact O-N 3.49Å; A112-A116 WeakPolarHBondContact O-CB 3.23Å; A112-A116 PolarHBondContact O-N 2.88Å; A112-L211 HydrophobicContact CB-CD1 4.11Å; A112-Q214 HydrophobicContact CB-CB 3.65Å; A112-Q214 HydrophobicContact CB-CG 4.5Å; A112-L218 HydrophobicContact CB-CD1 4.39Å |
| 113 | H | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 172.6 | 173.8 | 81 | 0 | 0 | 0 | 111.8 | L109 I110 D111 Q115 A116 V117 L163 T165 Y207 L211 | L109-H113 WeakPolarHBondContact O-CB 3.49Å; L109-H113 PolarHBondContact O-N 2.82Å; I110-H113 WeakPolarHBondContact O-CB 3.49Å; I110-H113 PolarHBondContact O-N 2.86Å; D111-H113 VanDerWaalsContact C-N 3.34Å; D111-H113 PolarHBondContact O-N 2.98Å; H113-Q115 PolarHBondContact O-N 3.28Å; H113-A116 PolarHBondContact O-N 2.85Å; H113-V117 WeakPolarHBondContact O-CG2 3.31Å; H113-V117 PolarHBondContact O-N 3.01Å; H113-L163 HydrophobicContact CB-CD2 3.71Å; H113-T165 PolarHBondContact NE2-OG1 3.3Å; H113-Y207 AromaticContact CE1-CZ 3.95Å; H113-Y207 PolarHBondContact CE1-OH 3Å; H113-Y207 AromaticContact ND1-CE2 3.91Å; H113-Y207 AromaticContact ND1-CZ 3.8Å; H113-Y207 PolarHBondContact ND1-OH 3.02Å; H113-L211 HydrophobicContact CB-CD1 4.42Å |
| 114 | N | 94.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 179.2 | -76 | -28.3 | 0 | 0 | 0 | 112.4 | R39 I110 D111 A116 V117 D118 N152 | R39-N114 PolarHBondContact NH1-OD1 2.91Å; R39-N114 VanDerWaalsContact NH1-OD1 3.17Å; R39-N114 PolarHBondContact NH2-O 3.49Å; R39-N114 PolarHBondContact NH2-OD1 2.95Å; I110-N114 WeakPolarHBondContact O-CB 3.37Å; I110-N114 VanDerWaalsContact O-CG 3.29Å; I110-N114 PolarHBondContact O-N 3.4Å; I110-N114 PolarHBondContact O-ND2 2.91Å; D111-N114 PolarHBondContact O-N 3.22Å; N114-A116 VanDerWaalsContact C-N 3.31Å; N114-A116 PolarHBondContact O-N 3Å; N114-V117 PolarHBondContact O-N 2.78Å; N114-D118 WeakPolarHBondContact O-CB 3.25Å; N114-D118 PolarHBondContact O-N 2.81Å; N114-N152 PolarHBondContact OD1-ND2 3Å; N114-N152 PolarHBondContact OD1-OD1 3.12Å |
| 115 | Q | 93.8 | Very high | 92.7 | Very high | 97 Ų | 97 | 37.9 Ų | 37.9 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.3 | -69.5 | 175.6 | 20.2 | 0 | 0 | 112.2 | D111 A112 H113 F119 | D111-Q115 VanDerWaalsContact O-CG 3.32Å; D111-Q115 WeakPolarHBondContact O-CG 3.29Å; D111-Q115 PolarHBondContact O-N 2.92Å; A112-Q115 PolarHBondContact O-N 3.49Å; H113-Q115 PolarHBondContact O-N 3.28Å; Q115-F119 WeakPolarHBondContact O-CB 3.07Å; Q115-F119 PolarHBondContact O-N 3.17Å |
| 116 | A | 94 | Very high | 93 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A112 H113 N114 F119 A120 Y207 K210 L211 | A112-A116 WeakPolarHBondContact O-CB 3.23Å; A112-A116 PolarHBondContact O-N 2.88Å; H113-A116 PolarHBondContact O-N 2.85Å; N114-A116 VanDerWaalsContact C-N 3.31Å; N114-A116 PolarHBondContact O-N 3Å; A116-F119 PolarHBondContact O-N 3.35Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.48Å; A116-Y207 HydrophobicContact CB-CD2 3.82Å; A116-Y207 HydrophobicContact CB-CE2 3.93Å; A116-K210 HydrophobicContact CB-CB 4.33Å; A116-K210 HydrophobicContact CB-CG 4.37Å; A116-L211 HydrophobicContact CB-CB 3.82Å; A116-L211 HydrophobicContact CB-CD1 4.36Å |
| 117 | V | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | F91 H113 N114 F119 A120 V121 L150 T165 Y207 | F91-V117 HydrophobicContact CB-CG2 3.95Å; F91-V117 HydrophobicContact CD2-CG1 4.19Å; F91-V117 HydrophobicContact CG-CG2 4.38Å; H113-V117 WeakPolarHBondContact O-CG2 3.31Å; H113-V117 PolarHBondContact O-N 3.01Å; N114-V117 PolarHBondContact O-N 2.78Å; V117-F119 PolarHBondContact O-N 3.33Å; V117-A120 PolarHBondContact O-N 2.8Å; V117-A120 VanDerWaalsContact O-N 3.14Å; V117-V121 HydrophobicContact CG1-CG2 3.93Å; V117-V121 WeakPolarHBondContact O-CB 3.26Å; V117-V121 VanDerWaalsContact O-CG2 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.48Å; V117-L150 HydrophobicContact CG1-CD1 4.28Å; V117-L150 HydrophobicContact CG1-CD2 4.39Å; V117-T165 HydrophobicContact CG1-CG2 3.98Å; V117-Y207 HydrophobicContact CG2-CD2 4.07Å; V117-Y207 HydrophobicContact CG2-CE2 3.72Å |
| 118 | D | 93.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 32 Ų | 32 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -38.8 | -179.9 | -65.6 | -12.5 | 0 | 0 | 0 | 111 | R39 N114 R122 L150 | R39-D118 IonicContact CZ-OD1 3.35Å; R39-D118 IonicContact NE-OD1 2.77Å; R39-D118 PolarHBondContact NE-OD1 3.41Å; R39-D118 IonicContact NE-OD2 3.99Å; R39-D118 IonicContact NH2-OD1 2.93Å; R39-D118 PolarHBondContact NH2-OD1 2.97Å; R39-D118 IonicContact NH2-OD2 3.88Å; N114-D118 WeakPolarHBondContact O-CB 3.25Å; N114-D118 PolarHBondContact O-N 2.81Å; D118-R122 WeakPolarHBondContact O-CG 3.5Å; D118-R122 PolarHBondContact O-N 2.98Å; D118-L150 WeakPolarHBondContact OD1-CD1 3.42Å |
| 119 | F | 92.7 | Very high | 93.2 | Very high | 33 Ų | 33 | 27.9 Ų | 27.9 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 174.6 | -179.1 | -99.2 | 0 | 0 | 0 | 112.6 | Q115 A116 V117 R122 L206 K210 F908 | Q115-F119 WeakPolarHBondContact O-CB 3.07Å; Q115-F119 PolarHBondContact O-N 3.17Å; A116-F119 PolarHBondContact O-N 3.35Å; V117-F119 PolarHBondContact O-N 3.33Å; F119-R122 PolarHBondContact O-N 3.47Å; F119-L206 HydrophobicContact CE1-CB 4.47Å; F119-L206 HydrophobicContact CE1-CD2 4.11Å; F119-K210 HydrophobicContact CB-CG 4.12Å; F119-K210 HydrophobicContact CD1-CB 4.05Å; F119-K210 HydrophobicContact CD1-CG 4Å; F119-K210 HydrophobicContact CG-CG 4.1Å; F119-F908 HydrophobicContact CE1-CB 4.15Å; F119-F908 HydrophobicContact CE1-CD2 4.22Å; F119-F908 HydrophobicContact CE1-CG 4.05Å; F119-F908 HydrophobicContact CE2-CB 4.21Å; F119-F908 HydrophobicContact CZ-CB 3.55Å; F119-F908 HydrophobicContact CZ-CD1 4.47Å; F119-F908 HydrophobicContact CZ-CD2 4.45Å; F119-F908 AromaticContact CZ-CG 3.94Å; F119-F908 HydrophobicContact CZ-CG 3.94Å |
| 120 | A | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -41 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F91 A116 V117 R122 Q123 V124 | F91-A120 HydrophobicContact CD1-CB 4.5Å; F91-A120 HydrophobicContact CE1-CB 3.8Å; F91-A120 HydrophobicContact CZ-CB 4.06Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.48Å; V117-A120 PolarHBondContact O-N 2.8Å; V117-A120 VanDerWaalsContact O-N 3.14Å; A120-R122 PolarHBondContact O-N 2.94Å; A120-Q123 WeakPolarHBondContact O-CB 3.36Å; A120-Q123 PolarHBondContact O-N 3.15Å; A120-Q123 VanDerWaalsContact O-N 3.15Å; A120-V124 PolarHBondContact O-N 3.06Å |
| 121 | V | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -34.4 | -178.8 | 170 | 0 | 0 | 0 | 0 | 112.2 | A41 F91 V117 Q123 V124 E125 M148 L150 A167 | A41-V121 HydrophobicContact CB-CG1 4.4Å; F91-V121 HydrophobicContact CE2-CG2 3.78Å; F91-V121 HydrophobicContact CZ-CG2 4.31Å; V117-V121 HydrophobicContact CG1-CG2 3.93Å; V117-V121 WeakPolarHBondContact O-CB 3.26Å; V117-V121 VanDerWaalsContact O-CG2 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.48Å; V121-Q123 PolarHBondContact O-N 3.31Å; V121-V124 WeakPolarHBondContact O-CB 3.31Å; V121-V124 PolarHBondContact O-N 2.88Å; V121-V124 VanDerWaalsContact O-N 3.1Å; V121-E125 PolarHBondContact O-N 2.9Å; V121-M148 HydrophobicContact CG1-CE 3.24Å; V121-M148 HydrophobicContact CG1-SD 3.33Å; V121-M148 WeakPolarHBondContact CG1-SD 3.49Å; V121-L150 HydrophobicContact CG2-CD2 4.2Å; V121-A167 HydrophobicContact CG2-CB 4.01Å |
| 122 | R | 92.5 | Very high | 92.9 | Very high | 157 Ų | 157 | 30.3 Ų | 30.3 | 59% | 0.592 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -59.7 | -35.7 | 171.9 | -74.6 | 175.2 | -159.8 | 158.5 | 6.6 | 112.8 | D118 F119 A120 V124 E125 A126 | D118-R122 WeakPolarHBondContact O-CG 3.5Å; D118-R122 PolarHBondContact O-N 2.98Å; F119-R122 PolarHBondContact O-N 3.47Å; A120-R122 PolarHBondContact O-N 2.94Å; R122-V124 VanDerWaalsContact C-N 3.35Å; R122-E125 PolarHBondContact O-N 3.07Å; R122-A126 PolarHBondContact O-N 3.27Å |
| 123 | Q | 90.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 37 Ų | 37 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.4 | -30.1 | 177.2 | -60.5 | -60.6 | -44.3 | 0 | 0 | 111.7 | A120 V121 F203 L206 V892 | A120-Q123 WeakPolarHBondContact O-CB 3.36Å; A120-Q123 PolarHBondContact O-N 3.15Å; A120-Q123 VanDerWaalsContact O-N 3.15Å; V121-Q123 PolarHBondContact O-N 3.31Å; Q123-F203 HydrophobicContact CB-CD1 4.33Å; Q123-F203 HydrophobicContact CB-CE1 3.76Å; Q123-L206 HydrophobicContact CB-CD1 3.95Å; Q123-L206 HydrophobicContact CG-CD1 3.75Å; Q123-V892 HydrophobicContact CB-CG2 3.95Å |
| 124 | V | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | 171 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L89 A120 V121 R122 A126 L127 L146 F192 V196 F203 | L89-V124 HydrophobicContact CD1-CB 4.48Å; L89-V124 HydrophobicContact CD1-CG1 3.67Å; L89-V124 HydrophobicContact CD1-CG2 4.21Å; A120-V124 PolarHBondContact O-N 3.06Å; V121-V124 WeakPolarHBondContact O-CB 3.31Å; V121-V124 PolarHBondContact O-N 2.88Å; V121-V124 VanDerWaalsContact O-N 3.1Å; R122-V124 VanDerWaalsContact C-N 3.35Å; V124-A126 VanDerWaalsContact C-N 3.28Å; V124-A126 PolarHBondContact O-N 3.37Å; V124-L127 PolarHBondContact O-N 2.89Å; V124-L146 HydrophobicContact CG1-CD1 4.28Å; V124-F192 HydrophobicContact CG1-CE2 4.16Å; V124-F192 HydrophobicContact CG1-CZ 3.88Å; V124-V196 HydrophobicContact CG1-CG2 4.2Å; V124-F203 HydrophobicContact CB-CE1 4.4Å; V124-F203 HydrophobicContact CB-CZ 4.44Å; V124-F203 HydrophobicContact CG2-CD1 3.76Å; V124-F203 HydrophobicContact CG2-CD2 4.33Å; V124-F203 HydrophobicContact CG2-CE1 3.63Å; V124-F203 HydrophobicContact CG2-CE2 4.19Å; V124-F203 HydrophobicContact CG2-CG 4.13Å; V124-F203 HydrophobicContact CG2-CZ 3.86Å |
| 125 | E | 94.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 7% | 0.065 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -36.1 | 177.3 | 174.8 | 167.3 | -131.4 | 0 | 0 | 113.1 | G42 Q43 V121 R122 L127 A128 G144 N145 L146 M148 | G42-E125 VanDerWaalsContact C-OE1 3.32Å; G42-E125 WeakPolarHBondContact CA-OE1 3.34Å; G42-E125 WeakPolarHBondContact CA-OE2 3.41Å; Q43-E125 PolarHBondContact N-OE1 2.95Å; Q43-E125 PolarHBondContact N-OE2 3.47Å; V121-E125 PolarHBondContact O-N 2.9Å; R122-E125 PolarHBondContact O-N 3.07Å; E125-L127 PolarHBondContact O-N 3.49Å; E125-L127 VanDerWaalsContact O-N 3.12Å; E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 3.14Å; E125-G144 WeakPolarHBondContact CG-O 3.42Å; E125-N145 WeakPolarHBondContact OE1-CA 3.41Å; E125-L146 HydrophobicContact CB-CD1 4.2Å; E125-L146 HydrophobicContact CB-CG 4.41Å; E125-L146 HydrophobicContact CG-CB 4.39Å; E125-L146 HydrophobicContact CG-CG 4.36Å; E125-L146 PolarHBondContact OE1-N 3.1Å; E125-M148 HydrophobicContact CB-CE 4.17Å |
| 126 | A | 89.9 | Confident | 89.9 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R122 V124 | R122-A126 PolarHBondContact O-N 3.27Å; V124-A126 VanDerWaalsContact C-N 3.28Å; V124-A126 PolarHBondContact O-N 3.37Å |
| 127 | L | 90.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.5 | 175.9 | -60.2 | -176.8 | 0 | 0 | 0 | 113.3 | V124 E125 S129 F192 N195 F203 | V124-L127 PolarHBondContact O-N 2.89Å; E125-L127 PolarHBondContact O-N 3.49Å; E125-L127 VanDerWaalsContact O-N 3.12Å; L127-S129 PolarHBondContact O-N 2.79Å; L127-F192 WeakPolarHBondContact O-CD2 3.21Å; L127-N195 HydrophobicContact CD1-CB 4.3Å; L127-F203 HydrophobicContact CD1-CE2 3.95Å; L127-F203 HydrophobicContact CD1-CZ 3.57Å; L127-F203 HydrophobicContact CG-CZ 4.42Å |
| 128 | A | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -55.4 | 126.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E125 L142 T143 G144 N145 L146 | E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 3.14Å; A128-L142 CarbonylContact O-C 3.54Å; A128-L142 WeakPolarHBondContact O-CA 3.36Å; A128-L142 WeakPolarHBondContact O-CD2 3.3Å; A128-T143 WeakPolarHBondContact CB-OG1 3.23Å; A128-T143 PolarHBondContact O-N 3.37Å; A128-T143 PolarHBondContact O-OG1 2.87Å; A128-G144 PolarHBondContact O-N 2.96Å; A128-N145 WeakPolarHBondContact CB-O 3.48Å; A128-L146 HydrophobicContact CB-CD1 4.44Å; A128-L146 HydrophobicContact CB-CD2 3.63Å; A128-L146 HydrophobicContact CB-CG 3.75Å | ||
| 129 | S | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 147.8 | -176 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | L127 V141 L182 S183 F192 | L127-S129 PolarHBondContact O-N 2.79Å; S129-V141 CarbonylContact C-O 3.5Å; S129-V141 VanDerWaalsContact CA-O 3.26Å; S129-V141 WeakPolarHBondContact CA-O 3.39Å; S129-L182 CarbonylContact O-C 3.22Å; S129-L182 WeakPolarHBondContact O-CA 3.34Å; S129-S183 WeakPolarHBondContact CB-OG 3.28Å; S129-S183 PolarHBondContact O-N 3.31Å; S129-S183 PolarHBondContact O-OG 3.5Å; S129-S183 PolarHBondContact OG-OG 3.3Å; S129-F192 WeakPolarHBondContact OG-CA 3.38Å; S129-F192 PolarHBondContact OG-N 3.41Å |
| 130 | T | 93.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 165.3 | 175.5 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | V132 T140 V141 T143 H175 K180 T181 | T130-V132 HydrophobicContact CG2-CG2 4.12Å; T130-T140 WeakPolarHBondContact O-CA 3.48Å; T130-V141 PolarHBondContact N-O 2.76Å; T130-V141 PolarHBondContact O-N 2.75Å; T130-T143 HydrophobicContact CG2-CG2 3.65Å; T130-H175 HydrophobicContact CG2-CB 4.01Å; T130-K180 HydrophobicContact CG2-CB 4.41Å; T130-K180 HydrophobicContact CG2-CD 4.19Å; T130-K180 VanDerWaalsContact OG1-CB 3.28Å; T130-K180 WeakPolarHBondContact OG1-CB 3.34Å; T130-T181 PolarHBondContact OG1-O 2.92Å |
| 131 | R | 90.8 | Very high | 87.3 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.4 | 172.3 | -79.3 | -171.9 | -64.4 | 175.5 | -1.9 | 110.3 | E139 | R131-E139 CarbonylContact C-O 3.56Å; R131-E139 WeakPolarHBondContact CA-O 3.31Å |
| 132 | V | 89.5 | Confident | 87.2 | Confident | 22 Ų | 22 | 58 Ų | 58 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 149.6 | 173.8 | -174 | 0 | 0 | 0 | 0 | 108.3 | T130 S138 E139 V141 | T130-V132 HydrophobicContact CG2-CG2 4.12Å; V132-S138 WeakPolarHBondContact O-CA 3.34Å; V132-E139 PolarHBondContact N-O 3Å; V132-E139 PolarHBondContact O-N 2.68Å; V132-E139 VanDerWaalsContact O-O 3.06Å; V132-V141 HydrophobicContact CB-CG2 4.09Å; V132-V141 HydrophobicContact CG2-CB 4.18Å; V132-V141 HydrophobicContact CG2-CG2 3.83Å |
| 133 | M | 85.7 | Confident | 87.2 | Confident | 147 Ų | 147 | 51.8 Ų | 51.8 | 72% | 0.724 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.9 | 174.6 | -168.7 | -174.3 | -64.1 | 0 | 0 | 107.6 | Q137 | M133-Q137 WeakPolarHBondContact CA-O 3.37Å |
| 134 | T | 77.4 | Confident | 87.3 | Confident | 61 Ų | 61 | 51.4 Ų | 51.4 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.2 | -176.8 | -40.8 | 0 | 0 | 0 | 0 | 106.7 | G136 Q137 E139 | T134-G136 PolarHBondContact O-N 3.22Å; T134-G136 VanDerWaalsContact O-N 3.11Å; T134-Q137 PolarHBondContact N-O 2.78Å; T134-Q137 PolarHBondContact O-N 3.47Å; T134-Q137 VanDerWaalsContact O-O 3.09Å; T134-E139 WeakPolarHBondContact CB-OE1 3.49Å; T134-E139 PolarHBondContact OG1-OE1 3.39Å |
| 135 | D | 77.2 | Confident | 87.4 | Confident | 163 Ų | 163 | 52.1 Ų | 52.1 | 87% | 0.872 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.4 | -177.7 | -58.3 | -33.8 | 0 | 0 | 0 | 115.4 | Q137 | D135-Q137 PolarHBondContact O-N 2.97Š|
| 136 | G | 74 | Confident | 87.4 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 1.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T134 | T134-G136 PolarHBondContact O-N 3.22Å; T134-G136 VanDerWaalsContact O-N 3.11Å |
| 137 | Q | 70.9 | Confident | 87.7 | Confident | 123 Ų | 123 | 49 Ų | 49 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.3 | 170.3 | -59 | -163 | 14.9 | 0 | 0 | 110 | M133 T134 D135 | M133-Q137 WeakPolarHBondContact CA-O 3.37Å; T134-Q137 PolarHBondContact N-O 2.78Å; T134-Q137 PolarHBondContact O-N 3.47Å; T134-Q137 VanDerWaalsContact O-O 3.09Å; D135-Q137 PolarHBondContact O-N 2.97Å |
| 138 | S | 80.2 | Confident | 88 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.9 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | V132 | V132-S138 WeakPolarHBondContact O-CA 3.34Å |
| 139 | E | 83.3 | Confident | 88 | Confident | 74 Ų | 74 | 48.7 Ų | 48.7 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 164.7 | 170.8 | 66.7 | -171.2 | 164.8 | 0 | 0 | 110.9 | R131 V132 T134 V141 | R131-E139 CarbonylContact C-O 3.56Å; R131-E139 WeakPolarHBondContact CA-O 3.31Å; V132-E139 PolarHBondContact N-O 3Å; V132-E139 PolarHBondContact O-N 2.68Å; V132-E139 VanDerWaalsContact O-O 3.06Å; T134-E139 WeakPolarHBondContact CB-OE1 3.49Å; T134-E139 PolarHBondContact OG1-OE1 3.39Å; E139-V141 HydrophobicContact CG-CG2 4.12Å |
| 140 | T | 88.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.2 | 173.9 | -57 | 0 | 0 | 0 | 0 | 107.4 | T130 S183 T190 V929 | T130-T140 WeakPolarHBondContact O-CA 3.48Å; T140-S183 WeakPolarHBondContact CG2-OG 3.47Å; T140-T190 WeakPolarHBondContact CB-OG1 3.28Å; T140-T190 VanDerWaalsContact CG2-O 3.3Å; T140-T190 WeakPolarHBondContact CG2-O 3.45Å; T140-T190 PolarHBondContact OG1-OG1 2.87Å; T140-V929 WeakPolarHBondContact O-CG2 3.43Å |
| 141 | V | 90.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.2 | -180 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | S129 T130 V132 E139 | S129-V141 CarbonylContact C-O 3.5Å; S129-V141 VanDerWaalsContact CA-O 3.26Å; S129-V141 WeakPolarHBondContact CA-O 3.39Å; T130-V141 PolarHBondContact N-O 2.76Å; T130-V141 PolarHBondContact O-N 2.75Å; V132-V141 HydrophobicContact CB-CG2 4.09Å; V132-V141 HydrophobicContact CG2-CB 4.18Å; V132-V141 HydrophobicContact CG2-CG2 3.83Å; E139-V141 HydrophobicContact CG-CG2 4.12Å |
| 142 | L | 92.1 | Very high | 88.1 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 142.9 | 173.1 | -73.7 | 170 | 0 | 0 | 0 | 110.5 | A128 D928 V929 | A128-L142 CarbonylContact O-C 3.54Å; A128-L142 WeakPolarHBondContact O-CA 3.36Å; A128-L142 WeakPolarHBondContact O-CD2 3.3Å; L142-D928 HydrophobicContact CD1-CB 4.16Å; L142-D928 WeakPolarHBondContact CD1-O 3.5Å; L142-V929 HydrophobicContact CG-CG2 4.49Å |
| 143 | T | 92.8 | Very high | 88.1 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | trans | -117.3 | -26.3 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | A128 T130 N145 T173 H175 | A128-T143 WeakPolarHBondContact CB-OG1 3.23Å; A128-T143 PolarHBondContact O-N 3.37Å; A128-T143 PolarHBondContact O-OG1 2.87Å; T130-T143 HydrophobicContact CG2-CG2 3.65Å; T143-N145 PolarHBondContact O-N 3.49Å; T143-T173 VanDerWaalsContact CB-OG1 3.22Å; T143-T173 WeakPolarHBondContact CB-OG1 3.34Å; T143-T173 HydrophobicContact CG2-CG2 4.02Å; T143-T173 PolarHBondContact OG1-OG1 2.73Å; T143-H175 HydrophobicContact CG2-CB 3.94Å | ||
| 144 | G | 92.3 | Very high | 88.1 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | trans | 65.1 | 15.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E125 A128 | E125-G144 WeakPolarHBondContact CG-O 3.42Å; A128-G144 PolarHBondContact O-N 2.96Å | ||
| 145 | N | 95.3 | Very high | 88.4 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | trans | -137.7 | 136.6 | 178.9 | 60.5 | 38.1 | 0 | 0 | 0 | 112.1 | Q43 E125 A128 T143 T173 Q174 | Q43-N145 HydrophobicContact CB-CB 4.19Å; E125-N145 WeakPolarHBondContact OE1-CA 3.41Å; A128-N145 WeakPolarHBondContact CB-O 3.48Å; T143-N145 PolarHBondContact O-N 3.49Å; N145-T173 PolarHBondContact O-OG1 3.05Å; N145-T173 PolarHBondContact OD1-OG1 3.24Å; N145-Q174 PolarHBondContact ND2-O 3.32Å; N145-Q174 VanDerWaalsContact ND2-O 3.11Å; N145-Q174 PolarHBondContact OD1-N 3.45Å; N145-Q174 PolarHBondContact OD1-O 3.31Å | ||
| 146 | L | 95.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -131.4 | 158.9 | 174.7 | -67.7 | 176.7 | 0 | 0 | 0 | 111 | G42 G44 A45 V124 E125 A128 M148 V169 L182 F192 | G42-L146 CarbonylContact C-O 3.5Å; G42-L146 WeakPolarHBondContact CA-O 3.47Å; G44-L146 VanDerWaalsContact CA-O 3.26Å; G44-L146 WeakPolarHBondContact CA-O 3.46Å; G44-L146 PolarHBondContact N-O 3.34Å; A45-L146 PolarHBondContact N-O 3.47Å; V124-L146 HydrophobicContact CG1-CD1 4.28Å; E125-L146 HydrophobicContact CB-CD1 4.2Å; E125-L146 HydrophobicContact CB-CG 4.41Å; E125-L146 HydrophobicContact CG-CB 4.39Å; E125-L146 HydrophobicContact CG-CG 4.36Å; E125-L146 PolarHBondContact OE1-N 3.1Å; A128-L146 HydrophobicContact CB-CD1 4.44Å; A128-L146 HydrophobicContact CB-CD2 3.63Å; A128-L146 HydrophobicContact CB-CG 3.75Å; L146-M148 HydrophobicContact CB-CE 3.86Å; L146-M148 HydrophobicContact CB-CG 3.84Å; L146-M148 HydrophobicContact CB-SD 3.89Å; L146-M148 HydrophobicContact CD1-CE 4.37Å; L146-M148 HydrophobicContact CD1-CG 4.44Å; L146-M148 HydrophobicContact CD1-SD 3.72Å; L146-M148 HydrophobicContact CG-SD 4.46Å; L146-V169 HydrophobicContact CD1-CG1 3.94Å; L146-V169 HydrophobicContact CD2-CG1 3.96Å; L146-V169 HydrophobicContact CG-CG1 4.39Å; L146-L182 HydrophobicContact CD2-CD1 4.1Å; L146-L182 HydrophobicContact CD2-CD2 3.57Å; L146-L182 HydrophobicContact CD2-CG 4.46Å; L146-F192 HydrophobicContact CD1-CE2 3.9Å; L146-F192 HydrophobicContact CD1-CZ 3.77Å; L146-F192 HydrophobicContact CD2-CE2 4.38Å; L146-F192 HydrophobicContact CD2-CZ 4.36Å | ||
| 147 | V | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -109.9 | 112.8 | 165.9 | -169.8 | 0 | 0 | 0 | 0 | 107.6 | W40 A45 L48 L50 L62 A170 V172 W179 | W40-V147 HydrophobicContact CE3-CG1 4.22Å; W40-V147 HydrophobicContact CZ3-CG1 3.97Å; A45-V147 HydrophobicContact CB-CG1 3.98Å; L48-V147 HydrophobicContact CD1-CG1 4.34Å; L48-V147 HydrophobicContact CD1-CG2 3.67Å; L50-V147 HydrophobicContact CD1-CG1 3.95Å; L62-V147 HydrophobicContact CD1-CG1 4.27Å; L62-V147 HydrophobicContact CD2-CB 4.28Å; L62-V147 HydrophobicContact CD2-CG1 3.47Å; L62-V147 VanDerWaalsContact CD2-CG1 3.47Å; L62-V147 HydrophobicContact CG-CG1 4.48Å; V147-A170 HydrophobicContact CB-CB 4.42Å; V147-A170 WeakPolarHBondContact O-CB 3.38Å; V147-A170 PolarHBondContact O-N 3.08Å; V147-V172 HydrophobicContact CB-CG2 4.01Å; V147-V172 HydrophobicContact CG2-CG2 3.74Å; V147-W179 HydrophobicContact CG2-CH2 4.07Å; V147-W179 HydrophobicContact CG2-CZ3 3.95Å | ||
| 148 | M | 95.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.6 | -174.1 | -58 | 172.8 | -72.7 | 0 | 0 | 111 | W40 A41 V121 E125 L146 V168 V169 | W40-M148 WeakPolarHBondContact CA-O 3.33Å; A41-M148 HydrophobicContact CB-CB 4.28Å; A41-M148 HydrophobicContact CB-CE 4.34Å; A41-M148 PolarHBondContact N-O 3.15Å; A41-M148 WeakPolarHBondContact O-CB 3.44Å; A41-M148 PolarHBondContact O-N 2.87Å; V121-M148 HydrophobicContact CG1-CE 3.24Å; V121-M148 HydrophobicContact CG1-SD 3.33Å; V121-M148 WeakPolarHBondContact CG1-SD 3.49Å; E125-M148 HydrophobicContact CB-CE 4.17Å; L146-M148 HydrophobicContact CB-CE 3.86Å; L146-M148 HydrophobicContact CB-CG 3.84Å; L146-M148 HydrophobicContact CB-SD 3.89Å; L146-M148 HydrophobicContact CD1-CE 4.37Å; L146-M148 HydrophobicContact CD1-CG 4.44Å; L146-M148 HydrophobicContact CD1-SD 3.72Å; L146-M148 HydrophobicContact CG-SD 4.46Å; M148-V168 VanDerWaalsContact CA-O 3.31Å; M148-V168 WeakPolarHBondContact CA-O 3.38Å; M148-V169 HydrophobicContact CG-CB 4.3Å; M148-V169 HydrophobicContact CG-CG1 4.24Å; M148-V169 HydrophobicContact CG-CG2 3.96Å; M148-V169 HydrophobicContact SD-CG2 4.05Å |
| 149 | A | 94.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | W40 V54 F59 F151 V168 | W40-A149 HydrophobicContact CE3-CB 4.29Å; W40-A149 HydrophobicContact CZ3-CB 4.07Å; V54-A149 HydrophobicContact CG1-CB 4.11Å; V54-A149 HydrophobicContact CG2-CB 4.07Å; F59-A149 HydrophobicContact CD2-CB 3.75Å; F59-A149 HydrophobicContact CE2-CB 3.47Å; F59-A149 VanDerWaalsContact CE2-CB 3.47Å; F59-A149 HydrophobicContact CZ-CB 4.31Å; A149-F151 HydrophobicContact CB-CD2 4.47Å; A149-F151 HydrophobicContact CB-CE2 3.68Å; A149-F151 HydrophobicContact CB-CZ 3.84Å; A149-V168 PolarHBondContact N-O 3.46Å; A149-V168 PolarHBondContact O-N 3.09Å |
| 150 | L | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.4 | 179.1 | -55.4 | -176.1 | 0 | 0 | 0 | 109.1 | E38 R39 A41 V117 D118 V121 T165 H166 A167 | E38-L150 VanDerWaalsContact CA-O 3.32Å; E38-L150 WeakPolarHBondContact CA-O 3.19Å; R39-L150 HydrophobicContact CG-CB 3.92Å; R39-L150 HydrophobicContact CG-CD1 4.06Å; R39-L150 HydrophobicContact CG-CG 4.35Å; R39-L150 PolarHBondContact N-O 3.14Å; R39-L150 VanDerWaalsContact N-O 3.13Å; R39-L150 PolarHBondContact O-N 3.15Å; A41-L150 HydrophobicContact CB-CD1 3.73Å; A41-L150 HydrophobicContact CB-CD2 4.38Å; A41-L150 HydrophobicContact CB-CG 3.89Å; V117-L150 HydrophobicContact CG1-CD1 4.28Å; V117-L150 HydrophobicContact CG1-CD2 4.39Å; D118-L150 WeakPolarHBondContact OD1-CD1 3.42Å; V121-L150 HydrophobicContact CG2-CD2 4.2Å; L150-T165 HydrophobicContact CB-CG2 3.95Å; L150-T165 HydrophobicContact CD2-CG2 4.4Å; L150-H166 WeakPolarHBondContact CA-O 3.15Å; L150-A167 HydrophobicContact CD2-CB 3.32Å |
| 151 | F | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.5 | 176.8 | -57.2 | -72.7 | 0 | 0 | 0 | 110.3 | Y24 T25 M36 E38 V54 F59 A149 H153 T165 H166 V168 | Y24-F151 HydrophobicContact CD1-CD2 4.49Å; Y24-F151 HydrophobicContact CG-CD2 4.05Å; Y24-F151 HydrophobicContact CG-CE2 4.26Å; T25-F151 HydrophobicContact CG2-CE1 4.2Å; M36-F151 HydrophobicContact CE-CD1 3.54Å; M36-F151 HydrophobicContact CE-CE1 4.03Å; M36-F151 HydrophobicContact SD-CB 4.2Å; M36-F151 HydrophobicContact SD-CD1 4Å; E38-F151 HydrophobicContact CB-CD1 3.91Å; E38-F151 HydrophobicContact CB-CE1 4.15Å; V54-F151 HydrophobicContact CB-CE1 4.04Å; V54-F151 HydrophobicContact CB-CZ 4.31Å; V54-F151 HydrophobicContact CG1-CE1 4Å; V54-F151 HydrophobicContact CG1-CZ 3.78Å; V54-F151 HydrophobicContact CG2-CE1 4.36Å; F59-F151 HydrophobicContact CD1-CZ 4.19Å; F59-F151 HydrophobicContact CD2-CZ 4.49Å; F59-F151 AromaticContact CE1-CE2 3.92Å; F59-F151 HydrophobicContact CE1-CE2 3.92Å; F59-F151 AromaticContact CE1-CZ 3.97Å; F59-F151 HydrophobicContact CE1-CZ 3.97Å; F59-F151 HydrophobicContact CE2-CE2 4.08Å; F59-F151 HydrophobicContact CE2-CZ 4.3Å; F59-F151 HydrophobicContact CG-CZ 4.44Å; F59-F151 AromaticContact CZ-CE2 3.63Å; F59-F151 HydrophobicContact CZ-CE2 3.63Å; F59-F151 HydrophobicContact CZ-CZ 4.02Å; A149-F151 HydrophobicContact CB-CD2 4.47Å; A149-F151 HydrophobicContact CB-CE2 3.68Å; A149-F151 HydrophobicContact CB-CZ 3.84Å; F151-H153 PolarHBondContact O-N 3.25Å; F151-T165 CarbonylContact O-C 3.52Å; F151-T165 VanDerWaalsContact O-CA 3.31Å; F151-T165 WeakPolarHBondContact O-CA 3.45Å; F151-H166 HydrophobicContact CB-CB 4.33Å; F151-H166 PolarHBondContact N-O 3.37Å; F151-H166 PolarHBondContact O-N 2.99Å; F151-V168 HydrophobicContact CD2-CG2 4.07Å; F151-V168 HydrophobicContact CE2-CG2 4.11Å |
| 152 | N | 91.4 | Very high | 88 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.2 | 174.7 | -68 | 12.4 | 0 | 0 | 0 | 110.2 | L33 M36 N114 H164 T165 | L33-N152 HydrophobicContact CD1-CB 4.09Å; M36-N152 WeakPolarHBondContact CG-O 3.28Å; M36-N152 VanDerWaalsContact O-CB 3.31Å; M36-N152 WeakPolarHBondContact O-CB 3.48Å; M36-N152 PolarHBondContact O-N 2.83Å; N114-N152 PolarHBondContact OD1-ND2 3Å; N114-N152 PolarHBondContact OD1-OD1 3.12Å; N152-H164 WeakPolarHBondContact CA-O 3.45Å; N152-T165 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T165 PolarHBondContact OD1-OG1 3.34Å |
| 153 | H | 90 | Very high | 88 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 153.1 | 171.3 | -70.2 | -172.2 | 0 | 0 | 0 | 110.1 | Y24 N29 F151 H164 H166 | Y24-H153 PolarHBondContact O-NE2 3.28Å; N29-H153 HydrophobicContact CB-CB 4.24Å; N29-H153 PolarHBondContact ND2-CE1 3.16Å; N29-H153 VanDerWaalsContact ND2-CE1 3.33Å; N29-H153 CarbonylContact O-C 3.53Å; N29-H153 WeakPolarHBondContact O-CA 3.3Å; F151-H153 PolarHBondContact O-N 3.25Å; H153-H164 WeakPolarHBondContact CB-CE1 3.43Å; H153-H164 WeakPolarHBondContact CB-NE2 3.44Å; H153-H164 PolarHBondContact N-O 3.14Å; H153-H164 PolarHBondContact O-N 2.82Å; H153-H164 PolarHBondContact O-ND1 2.85Å; H153-H166 AromaticContact CE1-CD2 3.74Å; H153-H166 AromaticContact CG-CD2 3.85Å; H153-H166 AromaticContact ND1-CD2 3.34Å; H153-H166 PolarHBondContact ND1-CD2 2.94Å; H153-H166 VanDerWaalsContact ND1-CD2 3.34Å; H153-H166 AromaticContact ND1-NE2 3.65Å |
| 154 | D | 86.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -14.3 | -170.3 | 67.1 | 4.7 | 0 | 0 | 0 | 113.4 | N29 Y30 Y31 V32 L33 M102 Q162 | N29-D154 VanDerWaalsContact C-OD1 3.31Å; N29-D154 PolarHBondContact O-N 3.02Å; Y30-D154 VanDerWaalsContact CA-OD2 3.26Å; Y30-D154 WeakPolarHBondContact CA-OD2 3.3Å; Y31-D154 PolarHBondContact N-OD2 3.14Å; Y31-D154 VanDerWaalsContact N-OD2 3.16Å; V32-D154 WeakPolarHBondContact CA-OD2 2.94Å; V32-D154 VanDerWaalsContact CB-OD2 3.29Å; V32-D154 WeakPolarHBondContact CB-OD2 3.48Å; V32-D154 PolarHBondContact N-OD2 2.91Å; L33-D154 HydrophobicContact CD1-CB 3.76Å; L33-D154 HydrophobicContact CG-CB 3.73Å; L33-D154 PolarHBondContact N-OD2 3.39Å; M102-D154 HydrophobicContact CE-CB 3.53Å; M102-D154 WeakPolarHBondContact CE-O 3.27Å; M102-D154 HydrophobicContact SD-CB 3.91Å; D154-Q162 CarbonylContact C-O 3.6Å; D154-Q162 CarbonylContact O-C 3.58Å; D154-Q162 VanDerWaalsContact O-C 3.29Å; D154-Q162 PolarHBondContact O-N 2.78Å; D154-Q162 VanDerWaalsContact O-O 3.1Å |
| 155 | T | 82 | Confident | 88 | Confident | 11 Ų | 11 | 13.4 Ų | 13.4 | 7% | 0.067 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.6 | -171.1 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | Q159 H164 W284 | T155-Q159 HydrophobicContact CG2-CB 4.33Å; T155-H164 PolarHBondContact O-CE1 3.34Å; T155-W284 HydrophobicContact CG2-CH2 3.87Å; T155-W284 HydrophobicContact CG2-CZ2 3.92Å |
| 156 | S | 79.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 13.2 Ų | 13.2 | 10% | 0.098 | 6% | 0.063 | C | C | . | . | trans | -65.7 | 170.3 | 175.1 | 90.2 | 0 | 0 | 0 | 0 | 111.5 | D158 Q159 E160 | S156-D158 PolarHBondContact O-N 2.87Å; S156-D158 PolarHBondContact OG-N 2.83Å; S156-Q159 PolarHBondContact O-N 2.85Å; S156-Q159 PolarHBondContact O-OE1 2.84Å; S156-Q159 PolarHBondContact OG-N 2.91Å; S156-E160 PolarHBondContact N-O 2.89Å; S156-E160 PolarHBondContact OG-N 2.9Å | ||
| 157 | R | 69.8 | Low | 87.9 | Confident | 75 Ų | 75 | 13.2 Ų | 13.2 | 28% | 0.283 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.6 | 173.9 | -103 | -175.6 | 176.9 | -130.6 | 1.7 | 114.1 | R269 K272 | R157-R269 VanDerWaalsContact NH1-CG 3.3Å; R157-K272 HydrophobicContact CG-CD 4.45Å |
| 158 | D | 71.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 13.3 Ų | 13.3 | 31% | 0.31 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 13.5 | 175.5 | -58.7 | -33.9 | 0 | 0 | 0 | 111.7 | S156 R244 | S156-D158 PolarHBondContact O-N 2.87Å; S156-D158 PolarHBondContact OG-N 2.83Å; D158-R244 IonicContact OD1-CZ 3.55Å; D158-R244 IonicContact OD1-NH1 2.75Å; D158-R244 PolarHBondContact OD1-NH1 2.75Å; D158-R244 WeakPolarHBondContact OD2-CB 3.36Å; D158-R244 WeakPolarHBondContact OD2-CD 3.2Å; D158-R244 WeakPolarHBondContact OD2-CG 3.28Å; D158-R244 IonicContact OD2-CZ 2.81Å; D158-R244 IonicContact OD2-NE 3.7Å; D158-R244 IonicContact OD2-NH1 3.83Å; D158-R244 PolarHBondContact OD2-NH1 2.78Å |
| 159 | Q | 78.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 13.2 Ų | 13.2 | 9% | 0.093 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 65.4 | 43.4 | 171.6 | -52.1 | -79.2 | 63.3 | 0 | 0 | 112.6 | T155 S156 K272 Q273 R280 W284 | T155-Q159 HydrophobicContact CG2-CB 4.33Å; S156-Q159 PolarHBondContact O-N 2.85Å; S156-Q159 PolarHBondContact O-OE1 2.84Å; S156-Q159 PolarHBondContact OG-N 2.91Å; Q159-K272 VanDerWaalsContact OE1-CE 3.23Å; Q159-Q273 PolarHBondContact NE2-O 3.19Å; Q159-R280 WeakPolarHBondContact O-CD 3.19Å; Q159-W284 WeakPolarHBondContact O-CZ2 3.42Å; Q159-W284 PolarHBondContact O-NE1 2.93Å; Q159-W284 VanDerWaalsContact O-NE1 3.08Å |
| 160 | E | 82.1 | Confident | 87.8 | Confident | 29 Ų | 29 | 13.2 Ų | 13.2 | 14% | 0.136 | 6% | 0.063 | C | C | . | . | trans | -109.7 | 156 | 171.5 | -67 | -178.6 | 143.2 | 0 | 0 | 110.8 | S156 Q162 F241 G243 | S156-E160 PolarHBondContact N-O 2.89Å; S156-E160 PolarHBondContact OG-N 2.9Å; E160-Q162 PolarHBondContact O-N 3.12Å; E160-Q162 VanDerWaalsContact O-N 3.09Å; E160-F241 VanDerWaalsContact CD-C 3.48Å; E160-G243 WeakPolarHBondContact OE1-CA 3.26Å; E160-G243 PolarHBondContact OE1-N 3.36Å; E160-G243 PolarHBondContact OE2-N 2.84Å | ||
| 161 | P | 85.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.7 | 179.8 | 0 | 9.6 | 0 | 0 | 0 | 110.1 | K95 M102 L103 F241 W284 | K95-P161 WeakPolarHBondContact CD-O 3.31Å; K95-P161 WeakPolarHBondContact CE-O 3.5Å; K95-P161 PolarHBondContact NZ-O 3.31Å; M102-P161 HydrophobicContact CE-CB 4.09Å; M102-P161 HydrophobicContact SD-CB 4.08Å; L103-P161 HydrophobicContact CD1-CB 3.75Å; L103-P161 HydrophobicContact CD1-CG 3.69Å; P161-F241 HydrophobicContact CG-CD1 3.86Å; P161-F241 HydrophobicContact CG-CE1 4.24Å; P161-F241 HydrophobicContact CG-CG 4.32Å; P161-W284 HydrophobicContact CB-CD2 4.38Å; P161-W284 HydrophobicContact CB-CE3 4.03Å; P161-W284 HydrophobicContact CB-CH2 4.2Å; P161-W284 HydrophobicContact CB-CZ3 3.92Å; P161-W284 HydrophobicContact CG-CD2 3.63Å; P161-W284 HydrophobicContact CG-CE3 3.74Å; P161-W284 HydrophobicContact CG-CG 4.05Å; P161-W284 HydrophobicContact CG-CH2 4.35Å; P161-W284 HydrophobicContact CG-CZ2 4.27Å; P161-W284 HydrophobicContact CG-CZ3 4.08Å |
| 162 | Q | 89.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 13.6 Ų | 13.6 | 16% | 0.164 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 100 | -178.7 | -175.6 | 67.2 | 47.9 | 0 | 0 | 109 | A93 D154 E160 H164 | A93-Q162 PolarHBondContact O-NE2 3.29Å; D154-Q162 CarbonylContact C-O 3.6Å; D154-Q162 CarbonylContact O-C 3.58Å; D154-Q162 VanDerWaalsContact O-C 3.29Å; D154-Q162 PolarHBondContact O-N 2.78Å; D154-Q162 VanDerWaalsContact O-O 3.1Å; E160-Q162 PolarHBondContact O-N 3.12Å; E160-Q162 VanDerWaalsContact O-N 3.09Å; Q162-H164 PolarHBondContact O-N 2.77Å; Q162-H164 PolarHBondContact O-ND1 3.19Å |
| 163 | L | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.3 | 171.6 | -179.1 | 62.3 | 0 | 0 | 0 | 108.8 | L33 A93 S98 A101 I110 H113 | L33-L163 HydrophobicContact CD1-CD1 4.27Å; L33-L163 HydrophobicContact CD2-CD1 4.23Å; A93-L163 HydrophobicContact CB-CB 4.09Å; A93-L163 HydrophobicContact CB-CD2 4.42Å; A93-L163 HydrophobicContact CB-CG 4.37Å; A93-L163 WeakPolarHBondContact CB-O 3.34Å; A93-L163 PolarHBondContact N-O 3.06Å; S98-L163 PolarHBondContact OG-N 3.32Å; A101-L163 HydrophobicContact CB-CD2 4.42Å; I110-L163 HydrophobicContact CG1-CD2 4.5Å; H113-L163 HydrophobicContact CB-CD2 3.71Å |
| 164 | H | 91.9 | Very high | 88.3 | Confident | 18 Ų | 18 | 15.2 Ų | 15.2 | 8% | 0.083 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.6 | 175.1 | 58.6 | -68.9 | 0 | 0 | 0 | 111.2 | T90 F91 N152 H153 T155 Q162 H166 | T90-H164 HydrophobicContact CG2-CB 4.18Å; F91-H164 CarbonylContact O-C 3.52Å; F91-H164 WeakPolarHBondContact O-CA 3.5Å; F91-H164 WeakPolarHBondContact O-CB 3.37Å; N152-H164 WeakPolarHBondContact CA-O 3.45Å; H153-H164 WeakPolarHBondContact CB-CE1 3.43Å; H153-H164 WeakPolarHBondContact CB-NE2 3.44Å; H153-H164 PolarHBondContact N-O 3.14Å; H153-H164 PolarHBondContact O-N 2.82Å; H153-H164 PolarHBondContact O-ND1 2.85Å; T155-H164 PolarHBondContact O-CE1 3.34Å; Q162-H164 PolarHBondContact O-N 2.77Å; Q162-H164 PolarHBondContact O-ND1 3.19Å; H164-H166 AromaticContact CD2-CD2 3.89Å; H164-H166 AromaticContact CD2-NE2 3.62Å; H164-H166 AromaticContact NE2-NE2 3.58Å |
| 165 | T | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.6 | 174.1 | -59.7 | 0 | 0 | 0 | 0 | 110 | T90 F91 H113 V117 L150 F151 N152 A167 | T90-T165 CarbonylContact C-O 3.54Å; T90-T165 VanDerWaalsContact CA-O 3.3Å; T90-T165 WeakPolarHBondContact CA-O 3.39Å; F91-T165 PolarHBondContact N-O 3.12Å; F91-T165 PolarHBondContact O-N 3.35Å; H113-T165 PolarHBondContact NE2-OG1 3.3Å; V117-T165 HydrophobicContact CG1-CG2 3.98Å; L150-T165 HydrophobicContact CB-CG2 3.95Å; L150-T165 HydrophobicContact CD2-CG2 4.4Å; F151-T165 CarbonylContact O-C 3.52Å; F151-T165 VanDerWaalsContact O-CA 3.31Å; F151-T165 WeakPolarHBondContact O-CA 3.45Å; N152-T165 WeakPolarHBondContact OD1-CG2 3.24Å; N152-T165 PolarHBondContact OD1-OG1 3.34Å; T165-A167 PolarHBondContact O-N 2.92Å |
| 166 | H | 93 | Very high | 88.9 | Confident | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 102.9 | 165.2 | -75.6 | -74.7 | 0 | 0 | 0 | 108.9 | Y24 D88 T90 L150 F151 H153 H164 V168 | Y24-H166 HydrophobicContact CD1-CB 3.95Å; Y24-H166 AromaticContact CD1-CG 3.85Å; Y24-H166 HydrophobicContact CE1-CB 3.89Å; Y24-H166 AromaticContact CE1-CE1 3.98Å; Y24-H166 AromaticContact CE1-CG 3.56Å; Y24-H166 AromaticContact CE1-ND1 3.54Å; D88-H166 IonicContact OD1-CG 3.72Å; D88-H166 IonicContact OD1-ND1 3Å; D88-H166 PolarHBondContact OD1-ND1 2.98Å; D88-H166 IonicContact OD2-CE1 3.62Å; D88-H166 PolarHBondContact OD2-CE1 3.08Å; D88-H166 IonicContact OD2-CG 2.79Å; D88-H166 IonicContact OD2-ND1 2.77Å; D88-H166 PolarHBondContact OD2-ND1 2.99Å; T90-H166 PolarHBondContact OG1-CE1 2.7Å; T90-H166 PolarHBondContact OG1-ND1 2.6Å; T90-H166 VanDerWaalsContact OG1-ND1 3.15Å; L150-H166 WeakPolarHBondContact CA-O 3.15Å; F151-H166 HydrophobicContact CB-CB 4.33Å; F151-H166 PolarHBondContact N-O 3.37Å; F151-H166 PolarHBondContact O-N 2.99Å; H153-H166 AromaticContact CE1-CD2 3.74Å; H153-H166 AromaticContact CG-CD2 3.85Å; H153-H166 AromaticContact ND1-CD2 3.34Å; H153-H166 PolarHBondContact ND1-CD2 2.94Å; H153-H166 VanDerWaalsContact ND1-CD2 3.34Å; H153-H166 AromaticContact ND1-NE2 3.65Å; H164-H166 AromaticContact CD2-CD2 3.89Å; H164-H166 AromaticContact CD2-NE2 3.62Å; H164-H166 AromaticContact NE2-NE2 3.58Å; H166-V168 HydrophobicContact CB-CG2 4.39Å; H166-V168 PolarHBondContact O-N 3.08Å |
| 167 | A | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 92.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L89 F91 V121 L150 T165 V169 | L89-A167 HydrophobicContact CB-CB 4.21Å; L89-A167 PolarHBondContact N-O 3.35Å; L89-A167 WeakPolarHBondContact O-CB 3.23Å; L89-A167 PolarHBondContact O-N 3.07Å; F91-A167 HydrophobicContact CD2-CB 4.28Å; F91-A167 HydrophobicContact CE2-CB 4.09Å; V121-A167 HydrophobicContact CG2-CB 4.01Å; L150-A167 HydrophobicContact CD2-CB 3.32Å; T165-A167 PolarHBondContact O-N 2.92Å; A167-V169 PolarHBondContact O-N 3.49Å |
| 168 | V | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.6 | -177.9 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | V14 Y24 F59 L63 Y87 M148 A149 F151 H166 | V14-V168 HydrophobicContact CG2-CG1 4.18Å; Y24-V168 HydrophobicContact CD1-CG2 4.49Å; Y24-V168 HydrophobicContact CD2-CG2 3.94Å; Y24-V168 HydrophobicContact CE1-CG2 4.3Å; Y24-V168 HydrophobicContact CE2-CG2 3.72Å; Y24-V168 HydrophobicContact CG-CG2 4.35Å; F59-V168 HydrophobicContact CE2-CB 4.18Å; F59-V168 HydrophobicContact CE2-CG1 4.12Å; F59-V168 HydrophobicContact CZ-CB 3.97Å; F59-V168 HydrophobicContact CZ-CG1 3.81Å; F59-V168 HydrophobicContact CZ-CG2 4.25Å; L63-V168 HydrophobicContact CD2-CG1 4.08Å; Y87-V168 CarbonylContact O-C 3.14Å; Y87-V168 WeakPolarHBondContact O-CA 3.12Å; M148-V168 VanDerWaalsContact CA-O 3.31Å; M148-V168 WeakPolarHBondContact CA-O 3.38Å; A149-V168 PolarHBondContact N-O 3.46Å; A149-V168 PolarHBondContact O-N 3.09Å; F151-V168 HydrophobicContact CD2-CG2 4.07Å; F151-V168 HydrophobicContact CE2-CG2 4.11Å; H166-V168 HydrophobicContact CB-CG2 4.39Å; H166-V168 PolarHBondContact O-N 3.08Å |
| 169 | V | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.2 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | G86 Y87 L89 L146 M148 A167 L182 F192 | G86-V169 CarbonylContact C-O 3.5Å; G86-V169 WeakPolarHBondContact CA-O 3.24Å; Y87-V169 PolarHBondContact N-O 2.87Å; Y87-V169 PolarHBondContact O-N 2.79Å; L89-V169 HydrophobicContact CD1-CG2 3.76Å; L89-V169 HydrophobicContact CG-CG2 4.14Å; L146-V169 HydrophobicContact CD1-CG1 3.94Å; L146-V169 HydrophobicContact CD2-CG1 3.96Å; L146-V169 HydrophobicContact CG-CG1 4.39Å; M148-V169 HydrophobicContact CG-CB 4.3Å; M148-V169 HydrophobicContact CG-CG1 4.24Å; M148-V169 HydrophobicContact CG-CG2 3.96Å; M148-V169 HydrophobicContact SD-CG2 4.05Å; A167-V169 PolarHBondContact O-N 3.49Å; V169-L182 HydrophobicContact CG1-CD1 4.03Å; V169-F192 HydrophobicContact CG1-CE1 4.16Å; V169-F192 HydrophobicContact CG1-CZ 4.23Å |
| 170 | A | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 145.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | L62 V147 V172 | L62-A170 HydrophobicContact CD1-CB 4.48Å; L62-A170 HydrophobicContact CD2-CB 3.72Å; L62-A170 HydrophobicContact CG-CB 3.77Å; V147-A170 HydrophobicContact CB-CB 4.42Å; V147-A170 WeakPolarHBondContact O-CB 3.38Å; V147-A170 PolarHBondContact O-N 3.08Å; A170-V172 HydrophobicContact CB-CG2 3.9Å; A170-V172 PolarHBondContact O-N 2.92Å |
| 171 | N | 94.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.048 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.7 | 49.5 | -178.3 | -173.4 | 39.6 | 0 | 0 | 0 | 113.1 | H83 R84 P85 T181 L182 | H83-N171 PolarHBondContact NE2-O 3.35Å; R84-N171 WeakPolarHBondContact O-CB 3.28Å; R84-N171 PolarHBondContact O-ND2 3.28Å; P85-N171 PolarHBondContact O-N 3.44Å; N171-T181 WeakPolarHBondContact O-CA 3.39Å; N171-L182 VanDerWaalsContact OD1-CB 3.28Å; N171-L182 WeakPolarHBondContact OD1-CB 3.38Å; N171-L182 PolarHBondContact OD1-N 3Å; N171-L182 VanDerWaalsContact OD1-N 3.11Å |
| 172 | V | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -138.1 | 142.1 | -176 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | L62 L67 L73 V147 A170 W179 K180 | L62-V172 HydrophobicContact CD1-CG2 4.18Å; L67-V172 HydrophobicContact CD2-CB 4.28Å; L67-V172 HydrophobicContact CD2-CG1 4.29Å; L67-V172 HydrophobicContact CD2-CG2 4.01Å; L73-V172 HydrophobicContact CD1-CB 4.16Å; L73-V172 HydrophobicContact CD1-CG1 3.55Å; V147-V172 HydrophobicContact CB-CG2 4.01Å; V147-V172 HydrophobicContact CG2-CG2 3.74Å; A170-V172 HydrophobicContact CB-CG2 3.9Å; A170-V172 PolarHBondContact O-N 2.92Å; V172-W179 HydrophobicContact CB-CE3 4.26Å; V172-W179 HydrophobicContact CG2-CZ3 4.41Å; V172-K180 CarbonylContact C-O 3.55Å; V172-K180 WeakPolarHBondContact CA-O 3.42Å | ||
| 173 | T | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 150.7 | 177 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | T143 N145 W179 K180 L182 | T143-T173 VanDerWaalsContact CB-OG1 3.22Å; T143-T173 WeakPolarHBondContact CB-OG1 3.34Å; T143-T173 HydrophobicContact CG2-CG2 4.02Å; T143-T173 PolarHBondContact OG1-OG1 2.73Å; N145-T173 PolarHBondContact O-OG1 3.05Å; N145-T173 PolarHBondContact OD1-OG1 3.24Å; T173-W179 VanDerWaalsContact C-CE3 3.49Å; T173-K180 PolarHBondContact N-O 2.8Å; T173-K180 PolarHBondContact O-N 3.34Å; T173-L182 HydrophobicContact CG2-CD2 3.8Å |
| 174 | Q | 93.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.3 | -177.1 | -164.2 | -178 | 42 | 0 | 0 | 110.5 | N145 E178 W179 | N145-Q174 PolarHBondContact ND2-O 3.32Å; N145-Q174 VanDerWaalsContact ND2-O 3.11Å; N145-Q174 PolarHBondContact OD1-N 3.45Å; N145-Q174 PolarHBondContact OD1-O 3.31Å; Q174-E178 WeakPolarHBondContact CA-O 3.37Å; Q174-W179 HydrophobicContact CB-CD2 4.18Å; Q174-W179 HydrophobicContact CB-CE3 4.03Å; Q174-W179 HydrophobicContact CB-CH2 4.09Å; Q174-W179 HydrophobicContact CB-CZ2 4.22Å; Q174-W179 HydrophobicContact CB-CZ3 3.99Å; Q174-W179 HydrophobicContact CG-CD2 4.43Å |
| 175 | H | 92.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 13% | 0.125 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 119.7 | 175.9 | 178.3 | -85.3 | 0 | 0 | 0 | 109.7 | T130 T143 G177 E178 | T130-H175 HydrophobicContact CG2-CB 4.01Å; T143-H175 HydrophobicContact CG2-CB 3.94Å; H175-G177 VanDerWaalsContact C-N 3.3Å; H175-G177 PolarHBondContact O-N 3.13Å; H175-E178 PolarHBondContact N-O 3.45Å; H175-E178 PolarHBondContact O-N 2.8Å; H175-E178 VanDerWaalsContact O-N 3.16Å |
| 176 | N | 89.3 | Confident | 90.9 | Very high | 148 Ų | 148 | 39.8 Ų | 39.8 | 79% | 0.791 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42.9 | -177.5 | -64.3 | -13.5 | 0 | 0 | 0 | 113.9 | E178 | N176-E178 PolarHBondContact O-N 3.1Š|
| 177 | G | 86.5 | Confident | 89.9 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -9.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H175 | H175-G177 VanDerWaalsContact C-N 3.3Å; H175-G177 PolarHBondContact O-N 3.13Å |
| 178 | E | 89.6 | Confident | 88.7 | Confident | 122 Ų | 122 | 45.3 Ų | 45.3 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143.9 | 174 | -64.4 | -177.6 | 165.5 | 0 | 0 | 111.2 | Q174 H175 N176 K180 | Q174-E178 WeakPolarHBondContact CA-O 3.37Å; H175-E178 PolarHBondContact N-O 3.45Å; H175-E178 PolarHBondContact O-N 2.8Å; H175-E178 VanDerWaalsContact O-N 3.16Å; N176-E178 PolarHBondContact O-N 3.1Å; E178-K180 WeakPolarHBondContact OE2-CE 3.34Å; E178-K180 IonicContact OE2-NZ 2.86Å |
| 179 | W | 92.6 | Very high | 88 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.2 | 168.3 | -69 | 98.6 | 0 | 0 | 0 | 110.6 | L48 L67 D69 A71 L73 V147 V172 T173 Q174 | L48-W179 HydrophobicContact CD1-CH2 3.72Å; L48-W179 HydrophobicContact CD1-CZ2 3.86Å; L48-W179 HydrophobicContact CD1-CZ3 4.41Å; L48-W179 HydrophobicContact CD2-CH2 4.14Å; L48-W179 HydrophobicContact CD2-CZ2 3.39Å; L48-W179 HydrophobicContact CG-CH2 3.71Å; L48-W179 HydrophobicContact CG-CZ2 3.46Å; L48-W179 VanDerWaalsContact CG-CZ2 3.46Å; L67-W179 HydrophobicContact CD1-CB 3.54Å; L67-W179 HydrophobicContact CD1-CD2 3.72Å; L67-W179 HydrophobicContact CD1-CE3 4.27Å; L67-W179 HydrophobicContact CD1-CG 3.36Å; L67-W179 HydrophobicContact CD2-CD2 4.44Å; L67-W179 HydrophobicContact CD2-CE3 4.44Å; D69-W179 PolarHBondContact OD2-NE1 3.28Å; A71-W179 HydrophobicContact CB-CG 4.39Å; L73-W179 HydrophobicContact CD1-CB 4.12Å; L73-W179 WeakPolarHBondContact CD2-O 3.48Å; V147-W179 HydrophobicContact CG2-CH2 4.07Å; V147-W179 HydrophobicContact CG2-CZ3 3.95Å; V172-W179 HydrophobicContact CB-CE3 4.26Å; V172-W179 HydrophobicContact CG2-CZ3 4.41Å; T173-W179 VanDerWaalsContact C-CE3 3.49Å; Q174-W179 HydrophobicContact CB-CD2 4.18Å; Q174-W179 HydrophobicContact CB-CE3 4.03Å; Q174-W179 HydrophobicContact CB-CH2 4.09Å; Q174-W179 HydrophobicContact CB-CZ2 4.22Å; Q174-W179 HydrophobicContact CB-CZ3 3.99Å; Q174-W179 HydrophobicContact CG-CD2 4.43Å |
| 180 | K | 92.9 | Very high | 87.4 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 165.2 | 178.6 | -64.5 | -172.1 | 178.4 | -178.2 | 0 | 110.5 | T130 V172 T173 E178 | T130-K180 HydrophobicContact CG2-CB 4.41Å; T130-K180 HydrophobicContact CG2-CD 4.19Å; T130-K180 VanDerWaalsContact OG1-CB 3.28Å; T130-K180 WeakPolarHBondContact OG1-CB 3.34Å; V172-K180 CarbonylContact C-O 3.55Å; V172-K180 WeakPolarHBondContact CA-O 3.42Å; T173-K180 PolarHBondContact N-O 2.8Å; T173-K180 PolarHBondContact O-N 3.34Å; E178-K180 WeakPolarHBondContact OE2-CE 3.34Å; E178-K180 IonicContact OE2-NZ 2.86Å |
| 181 | T | 92.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 150.9 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | T130 N171 | T130-T181 PolarHBondContact OG1-O 2.92Å; N171-T181 WeakPolarHBondContact O-CA 3.39Å |
| 182 | L | 93.5 | Very high | 87 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -62.1 | 145.6 | 173.3 | -59 | 167.2 | 0 | 0 | 0 | 110.8 | Y87 S129 L146 V169 N171 T173 F192 | Y87-L182 HydrophobicContact CE2-CD1 4.45Å; S129-L182 CarbonylContact O-C 3.22Å; S129-L182 WeakPolarHBondContact O-CA 3.34Å; L146-L182 HydrophobicContact CD2-CD1 4.1Å; L146-L182 HydrophobicContact CD2-CD2 3.57Å; L146-L182 HydrophobicContact CD2-CG 4.46Å; V169-L182 HydrophobicContact CG1-CD1 4.03Å; N171-L182 VanDerWaalsContact OD1-CB 3.28Å; N171-L182 WeakPolarHBondContact OD1-CB 3.38Å; N171-L182 PolarHBondContact OD1-N 3Å; N171-L182 VanDerWaalsContact OD1-N 3.11Å; T173-L182 HydrophobicContact CG2-CD2 3.8Å; L182-F192 HydrophobicContact CB-CB 4.17Å; L182-F192 HydrophobicContact CB-CD1 4.32Å; L182-F192 HydrophobicContact CB-CG 4.42Å; L182-F192 HydrophobicContact CD1-CD1 3.68Å; L182-F192 HydrophobicContact CD1-CE1 3.85Å; L182-F192 HydrophobicContact CD1-CG 4.29Å; L182-F192 HydrophobicContact CD2-CG 4.34Å; L182-F192 HydrophobicContact CG-CD1 4.4Å |
| 183 | S | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 147.2 | -179 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | S129 T140 G191 F192 | S129-S183 WeakPolarHBondContact CB-OG 3.28Å; S129-S183 PolarHBondContact O-N 3.31Å; S129-S183 PolarHBondContact O-OG 3.5Å; S129-S183 PolarHBondContact OG-OG 3.3Å; T140-S183 WeakPolarHBondContact CG2-OG 3.47Å; S183-G191 WeakPolarHBondContact OG-CA 3.5Å; S183-F192 PolarHBondContact O-N 3.33Å; S183-F192 PolarHBondContact OG-N 3.25Å |
| 184 | S | 85.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 51 Ų | 51 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | trans | -128.8 | 127.5 | 165.4 | 69.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 185 | D | 80.6 | Confident | 86.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | trans | -152.1 | 88.9 | 177.9 | 176.9 | 21.8 | 0 | 0 | 0 | 110.4 | V187 G188 K189 T190 E194 | D185-V187 VanDerWaalsContact C-N 3.25Å; D185-V187 PolarHBondContact O-N 3.12Å; D185-V187 PolarHBondContact OD1-N 3.22Å; D185-G188 VanDerWaalsContact CG-N 3.29Å; D185-G188 PolarHBondContact OD1-N 2.85Å; D185-G188 WeakPolarHBondContact OD2-CA 3.48Å; D185-G188 PolarHBondContact OD2-N 3.4Å; D185-G188 VanDerWaalsContact OD2-N 3.17Å; D185-K189 WeakPolarHBondContact O-CA 3.32Å; D185-K189 PolarHBondContact O-N 3.22Å; D185-T190 PolarHBondContact OD2-OG1 3.06Å; D185-E194 PolarHBondContact N-OE2 2.74Å; D185-E194 VanDerWaalsContact N-OE2 3.13Å | ||
| 186 | K | 75 | Confident | 86.1 | Confident | 180 Ų | 180 | 48.2 Ų | 48.2 | 78% | 0.783 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.2 | 177.4 | -70.3 | -171.7 | 177.9 | -176.9 | 0 | 113.7 | E194 | K186-E194 HydrophobicContact CG-CG 4.28Å; K186-E194 VanDerWaalsContact CG-OE1 3.26Å; K186-E194 WeakPolarHBondContact CG-OE1 3.39Å |
| 187 | V | 70.9 | Confident | 86 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 71% | 0.709 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -52.3 | -174.4 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | D185 K189 | D185-V187 VanDerWaalsContact C-N 3.25Å; D185-V187 PolarHBondContact O-N 3.12Å; D185-V187 PolarHBondContact OD1-N 3.22Å; V187-K189 VanDerWaalsContact C-N 3.32Å |
| 188 | G | 70.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D185 T190 G932 | D185-G188 VanDerWaalsContact CG-N 3.29Å; D185-G188 PolarHBondContact OD1-N 2.85Å; D185-G188 WeakPolarHBondContact OD2-CA 3.48Å; D185-G188 PolarHBondContact OD2-N 3.4Å; D185-G188 VanDerWaalsContact OD2-N 3.17Å; G188-T190 WeakPolarHBondContact O-CG2 3.48Å; G188-T190 PolarHBondContact O-N 3.01Å; G188-G932 CarbonylContact O-C 3.54Å; G188-G932 VanDerWaalsContact O-CA 3.26Å; G188-G932 WeakPolarHBondContact O-CA 3.33Å; G188-G932 PolarHBondContact O-N 3.28Å |
| 189 | K | 79.1 | Confident | 85.7 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 55.2 | 18.9 | -176.2 | -58.5 | -179.7 | -180 | 175.7 | 0 | 113.8 | D185 V187 N195 | D185-K189 WeakPolarHBondContact O-CA 3.32Å; D185-K189 PolarHBondContact O-N 3.22Å; V187-K189 VanDerWaalsContact C-N 3.32Å; K189-N195 PolarHBondContact O-ND2 2.78Å |
| 190 | T | 83.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -87.8 | -8.5 | -178.1 | 63.4 | 0 | 0 | 0 | 0 | 112.7 | T140 D185 G188 V929 K931 T935 | T140-T190 WeakPolarHBondContact CB-OG1 3.28Å; T140-T190 VanDerWaalsContact CG2-O 3.3Å; T140-T190 WeakPolarHBondContact CG2-O 3.45Å; T140-T190 PolarHBondContact OG1-OG1 2.87Å; D185-T190 PolarHBondContact OD2-OG1 3.06Å; G188-T190 WeakPolarHBondContact O-CG2 3.48Å; G188-T190 PolarHBondContact O-N 3.01Å; T190-V929 HydrophobicContact CG2-CG1 3.75Å; T190-K931 HydrophobicContact CG2-CG 4.45Å; T190-T935 VanDerWaalsContact O-CG2 3.31Å; T190-T935 WeakPolarHBondContact O-CG2 3.44Å | ||
| 191 | G | 87.2 | Confident | 85 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -69.4 | 153 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S183 I193 E194 N195 | S183-G191 WeakPolarHBondContact OG-CA 3.5Å; G191-I193 PolarHBondContact O-N 3.29Å; G191-E194 VanDerWaalsContact CA-OE2 3.26Å; G191-E194 WeakPolarHBondContact CA-OE2 3.47Å; G191-E194 PolarHBondContact O-N 2.93Å; G191-N195 PolarHBondContact O-N 3.15Å; G191-N195 VanDerWaalsContact O-N 3.15Å; G191-N195 PolarHBondContact O-ND2 3.28Å |
| 192 | F | 92.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -55.9 | -178.5 | 169.5 | -107.5 | 0 | 0 | 0 | 111 | Y87 V124 L127 S129 L146 V169 L182 S183 E194 N195 V196 | Y87-F192 HydrophobicContact CD2-CD1 4.35Å; Y87-F192 HydrophobicContact CD2-CE1 4.23Å; Y87-F192 HydrophobicContact CE2-CD1 4.32Å; V124-F192 HydrophobicContact CG1-CE2 4.16Å; V124-F192 HydrophobicContact CG1-CZ 3.88Å; L127-F192 WeakPolarHBondContact O-CD2 3.21Å; S129-F192 WeakPolarHBondContact OG-CA 3.38Å; S129-F192 PolarHBondContact OG-N 3.41Å; L146-F192 HydrophobicContact CD1-CE2 3.9Å; L146-F192 HydrophobicContact CD1-CZ 3.77Å; L146-F192 HydrophobicContact CD2-CE2 4.38Å; L146-F192 HydrophobicContact CD2-CZ 4.36Å; V169-F192 HydrophobicContact CG1-CE1 4.16Å; V169-F192 HydrophobicContact CG1-CZ 4.23Å; L182-F192 HydrophobicContact CB-CB 4.17Å; L182-F192 HydrophobicContact CB-CD1 4.32Å; L182-F192 HydrophobicContact CB-CG 4.42Å; L182-F192 HydrophobicContact CD1-CD1 3.68Å; L182-F192 HydrophobicContact CD1-CE1 3.85Å; L182-F192 HydrophobicContact CD1-CG 4.29Å; L182-F192 HydrophobicContact CD2-CG 4.34Å; L182-F192 HydrophobicContact CG-CD1 4.4Å; S183-F192 PolarHBondContact O-N 3.33Å; S183-F192 PolarHBondContact OG-N 3.25Å; F192-E194 VanDerWaalsContact C-N 3.34Å; F192-E194 PolarHBondContact O-N 3.09Å; F192-N195 PolarHBondContact O-N 2.81Å; F192-V196 HydrophobicContact CD2-CG2 4.3Å; F192-V196 HydrophobicContact CE1-CG2 4.18Å; F192-V196 HydrophobicContact CE2-CG2 3.9Å; F192-V196 HydrophobicContact CZ-CG2 3.84Å; F192-V196 WeakPolarHBondContact O-CG2 3.49Å; F192-V196 PolarHBondContact O-N 3.05Å |
| 193 | I | 90.4 | Very high | 84.6 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.1 | -35 | -173.5 | -168.6 | 60.8 | 0 | 0 | 0 | 112.1 | I11 Y87 G191 N195 V196 Y197 | I11-I193 HydrophobicContact CG2-CD1 3.88Å; Y87-I193 HydrophobicContact CD1-CD1 3.52Å; Y87-I193 HydrophobicContact CD1-CG1 3.84Å; Y87-I193 HydrophobicContact CD2-CD1 4.24Å; Y87-I193 HydrophobicContact CE1-CB 3.97Å; Y87-I193 HydrophobicContact CE1-CD1 3.81Å; Y87-I193 HydrophobicContact CE1-CG1 3.57Å; Y87-I193 HydrophobicContact CE1-CG2 4.36Å; Y87-I193 HydrophobicContact CE2-CB 4.2Å; Y87-I193 HydrophobicContact CE2-CD1 4.5Å; Y87-I193 HydrophobicContact CG-CD1 3.75Å; Y87-I193 HydrophobicContact CG-CG1 4.41Å; G191-I193 PolarHBondContact O-N 3.29Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.47Å; I193-V196 HydrophobicContact CD1-CB 4.48Å; I193-V196 PolarHBondContact O-N 3.46Å; I193-Y197 HydrophobicContact CD1-CD2 4.25Å; I193-Y197 HydrophobicContact CD1-CE2 3.95Å; I193-Y197 HydrophobicContact CG1-CD2 3.82Å; I193-Y197 HydrophobicContact CG1-CE2 3.57Å; I193-Y197 WeakPolarHBondContact O-CD2 3.02Å; I193-Y197 PolarHBondContact O-N 3.41Å |
| 194 | E | 88.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 174.7 | -71.5 | 82.1 | -170.5 | 0 | 0 | 111.7 | D185 K186 G191 F192 Y197 A198 | D185-E194 PolarHBondContact N-OE2 2.74Å; D185-E194 VanDerWaalsContact N-OE2 3.13Å; K186-E194 HydrophobicContact CG-CG 4.28Å; K186-E194 VanDerWaalsContact CG-OE1 3.26Å; K186-E194 WeakPolarHBondContact CG-OE1 3.39Å; G191-E194 VanDerWaalsContact CA-OE2 3.26Å; G191-E194 WeakPolarHBondContact CA-OE2 3.47Å; G191-E194 PolarHBondContact O-N 2.93Å; F192-E194 VanDerWaalsContact C-N 3.34Å; F192-E194 PolarHBondContact O-N 3.09Å; E194-Y197 PolarHBondContact O-N 2.78Å; E194-A198 WeakPolarHBondContact O-CB 3.27Å; E194-A198 PolarHBondContact O-N 2.76Å |
| 195 | N | 89.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.3 | -77.5 | -76.9 | 0 | 0 | 0 | 112.3 | L127 K189 G191 F192 I193 A198 N199 G934 T935 | L127-N195 HydrophobicContact CD1-CB 4.3Å; K189-N195 PolarHBondContact O-ND2 2.78Å; G191-N195 PolarHBondContact O-N 3.15Å; G191-N195 VanDerWaalsContact O-N 3.15Å; G191-N195 PolarHBondContact O-ND2 3.28Å; F192-N195 PolarHBondContact O-N 2.81Å; I193-N195 VanDerWaalsContact C-N 3.31Å; I193-N195 PolarHBondContact O-N 3.47Å; N195-A198 PolarHBondContact O-N 2.99Å; N195-N199 PolarHBondContact O-N 2.92Å; N195-N199 PolarHBondContact O-ND2 3.28Å; N195-G934 WeakPolarHBondContact OD1-CA 3.39Å; N195-T935 PolarHBondContact ND2-OG1 3.22Å; N195-T935 VanDerWaalsContact ND2-OG1 3.14Å; N195-T935 PolarHBondContact OD1-N 2.99Å; N195-T935 VanDerWaalsContact OD1-N 3.08Å; N195-T935 PolarHBondContact OD1-OG1 3.31Å |
| 196 | V | 90.5 | Very high | 85 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | M9 I11 L89 V124 F192 I193 N199 Q200 F203 | M9-V196 HydrophobicContact CE-CG1 4.27Å; I11-V196 HydrophobicContact CD1-CG1 3.88Å; I11-V196 HydrophobicContact CG1-CG1 4.49Å; L89-V196 HydrophobicContact CD2-CG1 3.92Å; V124-V196 HydrophobicContact CG1-CG2 4.2Å; F192-V196 HydrophobicContact CD2-CG2 4.3Å; F192-V196 HydrophobicContact CE1-CG2 4.18Å; F192-V196 HydrophobicContact CE2-CG2 3.9Å; F192-V196 HydrophobicContact CZ-CG2 3.84Å; F192-V196 WeakPolarHBondContact O-CG2 3.49Å; F192-V196 PolarHBondContact O-N 3.05Å; I193-V196 HydrophobicContact CD1-CB 4.48Å; I193-V196 PolarHBondContact O-N 3.46Å; V196-N199 CarbonylContact O-C 3.4Å; V196-N199 PolarHBondContact O-N 3.34Å; V196-Q200 WeakPolarHBondContact O-CA 3.24Å; V196-Q200 PolarHBondContact O-N 3.3Å; V196-F203 HydrophobicContact CG1-CE2 4.47Å |
| 197 | Y | 86.6 | Confident | 85.9 | Confident | 112 Ų | 112 | 29.9 Ų | 29.9 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.9 | -43 | 172.9 | -83.6 | -66.3 | 0 | 0 | 0 | 112.3 | I11 I193 E194 N199 Q200 | I11-Y197 HydrophobicContact CB-CD1 4.42Å; I11-Y197 HydrophobicContact CB-CE1 3.69Å; I11-Y197 HydrophobicContact CD1-CD1 3.52Å; I11-Y197 HydrophobicContact CD1-CE1 3.7Å; I11-Y197 HydrophobicContact CD1-CG 4.03Å; I11-Y197 HydrophobicContact CG1-CE1 4.27Å; I11-Y197 HydrophobicContact CG2-CE1 3.84Å; I11-Y197 HydrophobicContact CG2-CE2 4.07Å; I11-Y197 WeakPolarHBondContact CG2-OH 3.46Å; I193-Y197 HydrophobicContact CD1-CD2 4.25Å; I193-Y197 HydrophobicContact CD1-CE2 3.95Å; I193-Y197 HydrophobicContact CG1-CD2 3.82Å; I193-Y197 HydrophobicContact CG1-CE2 3.57Å; I193-Y197 WeakPolarHBondContact O-CD2 3.02Å; I193-Y197 PolarHBondContact O-N 3.41Å; E194-Y197 PolarHBondContact O-N 2.78Å; Y197-N199 PolarHBondContact O-N 3.07Å; Y197-Q200 WeakPolarHBondContact O-CB 3.49Å; Y197-Q200 PolarHBondContact O-N 2.96Å |
| 198 | A | 82.4 | Confident | 86.7 | Confident | 78 Ų | 78 | 25 Ų | 25 | 65% | 0.645 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -59.7 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E194 N195 | E194-A198 WeakPolarHBondContact O-CB 3.27Å; E194-A198 PolarHBondContact O-N 2.76Å; N195-A198 PolarHBondContact O-N 2.99Å |
| 199 | N | 87.5 | Confident | 87.5 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 13.3 | -178.5 | -65.1 | -74 | 0 | 0 | 0 | 113.8 | N195 V196 Y197 I201 A202 F203 S890 | N195-N199 PolarHBondContact O-N 2.92Å; N195-N199 PolarHBondContact O-ND2 3.28Å; V196-N199 CarbonylContact O-C 3.4Å; V196-N199 PolarHBondContact O-N 3.34Å; Y197-N199 PolarHBondContact O-N 3.07Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 PolarHBondContact O-N 3.47Å; N199-A202 PolarHBondContact O-N 2.96Å; N199-F203 HydrophobicContact CB-CD2 3.81Å; N199-F203 HydrophobicContact CB-CE2 3.55Å; N199-F203 HydrophobicContact CB-CZ 4.33Å; N199-F203 VanDerWaalsContact O-CD2 3.24Å; N199-F203 WeakPolarHBondContact O-CD2 3.43Å; N199-F203 PolarHBondContact O-N 3.07Å; N199-S890 WeakPolarHBondContact OD1-CB 3.35Å; N199-S890 PolarHBondContact OD1-OG 3.19Å |
| 200 | Q | 88.4 | Confident | 88.1 | Confident | 25 Ų | 25 | 24.4 Ų | 24.4 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | -172.3 | -177.8 | -174.3 | -3.1 | 0 | 0 | 112.9 | M9 I11 V196 Y197 G204 | M9-Q200 HydrophobicContact CE-CB 4.01Å; M9-Q200 HydrophobicContact CE-CG 3.63Å; M9-Q200 PolarHBondContact O-NE2 2.79Å; I11-Q200 HydrophobicContact CD1-CB 4.04Å; I11-Q200 HydrophobicContact CD1-CG 3.85Å; I11-Q200 HydrophobicContact CG1-CG 4.36Å; V196-Q200 WeakPolarHBondContact O-CA 3.24Å; V196-Q200 PolarHBondContact O-N 3.3Å; Y197-Q200 WeakPolarHBondContact O-CB 3.49Å; Y197-Q200 PolarHBondContact O-N 2.96Å; Q200-G204 PolarHBondContact O-N 3.18Å |
| 201 | I | 83 | Confident | 88.5 | Confident | 72 Ų | 72 | 24.2 Ų | 24.2 | 37% | 0.369 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 179.1 | -64 | 176.1 | 0 | 0 | 0 | 110.6 | F7 N199 G204 R205 | F7-I201 HydrophobicContact CE1-CG1 3.98Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 PolarHBondContact O-N 3.47Å; I201-G204 CarbonylContact O-C 3.29Å; I201-G204 PolarHBondContact O-N 3.43Å; I201-R205 PolarHBondContact O-N 3.13Å |
| 202 | A | 85.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.8 | -42.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N199 G204 R205 L206 V892 D893 T896 | N199-A202 PolarHBondContact O-N 2.96Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.1Å; A202-R205 CarbonylContact O-C 3.51Å; A202-R205 WeakPolarHBondContact O-CA 3.14Å; A202-R205 WeakPolarHBondContact O-CB 3.33Å; A202-R205 PolarHBondContact O-N 2.98Å; A202-L206 PolarHBondContact O-N 3.38Å; A202-V892 HydrophobicContact CB-CG1 3.67Å; A202-D893 VanDerWaalsContact CB-OD1 3.25Å; A202-D893 WeakPolarHBondContact CB-OD1 3.36Å; A202-T896 WeakPolarHBondContact O-CG2 3.36Å |
| 203 | F | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 170.3 | -72.6 | -57.3 | 0 | 0 | 0 | 112.6 | M9 Q123 V124 L127 V196 N199 R205 L206 Y207 V892 | M9-F203 HydrophobicContact CE-CB 3.9Å; M9-F203 HydrophobicContact CE-CD2 4.17Å; M9-F203 HydrophobicContact CE-CG 4.44Å; M9-F203 HydrophobicContact SD-CB 3.57Å; M9-F203 VanDerWaalsContact SD-CB 3.57Å; M9-F203 HydrophobicContact SD-CG 4.31Å; Q123-F203 HydrophobicContact CB-CD1 4.33Å; Q123-F203 HydrophobicContact CB-CE1 3.76Å; V124-F203 HydrophobicContact CB-CE1 4.4Å; V124-F203 HydrophobicContact CB-CZ 4.44Å; V124-F203 HydrophobicContact CG2-CD1 3.76Å; V124-F203 HydrophobicContact CG2-CD2 4.33Å; V124-F203 HydrophobicContact CG2-CE1 3.63Å; V124-F203 HydrophobicContact CG2-CE2 4.19Å; V124-F203 HydrophobicContact CG2-CG 4.13Å; V124-F203 HydrophobicContact CG2-CZ 3.86Å; L127-F203 HydrophobicContact CD1-CE2 3.95Å; L127-F203 HydrophobicContact CD1-CZ 3.57Å; L127-F203 HydrophobicContact CG-CZ 4.42Å; V196-F203 HydrophobicContact CG1-CE2 4.47Å; N199-F203 HydrophobicContact CB-CD2 3.81Å; N199-F203 HydrophobicContact CB-CE2 3.55Å; N199-F203 HydrophobicContact CB-CZ 4.33Å; N199-F203 VanDerWaalsContact O-CD2 3.24Å; N199-F203 WeakPolarHBondContact O-CD2 3.43Å; N199-F203 PolarHBondContact O-N 3.07Å; F203-R205 PolarHBondContact O-N 3.34Å; F203-L206 HydrophobicContact CD1-CD1 4.29Å; F203-L206 PolarHBondContact O-N 3.23Å; F203-Y207 PolarHBondContact O-N 2.53Å; F203-V892 HydrophobicContact CD1-CG1 4.02Å; F203-V892 HydrophobicContact CD1-CG2 4.48Å; F203-V892 HydrophobicContact CE1-CB 4.45Å; F203-V892 HydrophobicContact CE1-CG1 4.06Å; F203-V892 HydrophobicContact CE1-CG2 3.75Å; F203-V892 HydrophobicContact CZ-CG2 4.16Å |
| 204 | G | 88.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -29.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q200 I201 A202 R208 | Q200-G204 PolarHBondContact O-N 3.18Å; I201-G204 CarbonylContact O-C 3.29Å; I201-G204 PolarHBondContact O-N 3.43Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.1Å; G204-R208 WeakPolarHBondContact O-CB 3.38Å; G204-R208 PolarHBondContact O-N 3.03Å; G204-R208 PolarHBondContact O-NE 2.98Å |
| 205 | R | 86 | Confident | 88.8 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 23% | 0.234 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.8 | -43.4 | 173.1 | -81 | -173.7 | 174.7 | -178 | -2.1 | 112.5 | I201 A202 F203 Y207 R208 E209 H228 T896 E897 | I201-R205 PolarHBondContact O-N 3.13Å; A202-R205 CarbonylContact O-C 3.51Å; A202-R205 WeakPolarHBondContact O-CA 3.14Å; A202-R205 WeakPolarHBondContact O-CB 3.33Å; A202-R205 PolarHBondContact O-N 2.98Å; F203-R205 PolarHBondContact O-N 3.34Å; R205-Y207 VanDerWaalsContact C-N 3.32Å; R205-Y207 PolarHBondContact O-N 3.26Å; R205-R208 WeakPolarHBondContact O-CG 3.49Å; R205-R208 PolarHBondContact O-N 3.23Å; R205-E209 VanDerWaalsContact O-CB 3.22Å; R205-E209 WeakPolarHBondContact O-CB 3.44Å; R205-E209 PolarHBondContact O-N 3.45Å; R205-H228 PolarHBondContact NE-O 2.98Å; R205-T896 HydrophobicContact CB-CG2 3.81Å; R205-E897 IonicContact NH1-OE2 3.85Å; R205-E897 PolarHBondContact NH1-OE2 3.18Å |
| 206 | L | 89.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.3 | -50.1 | 174.6 | -74.6 | 177.4 | 0 | 0 | 0 | 111.1 | F119 Q123 A202 F203 R208 K210 V892 L895 T896 F908 | F119-L206 HydrophobicContact CE1-CB 4.47Å; F119-L206 HydrophobicContact CE1-CD2 4.11Å; Q123-L206 HydrophobicContact CB-CD1 3.95Å; Q123-L206 HydrophobicContact CG-CD1 3.75Å; A202-L206 PolarHBondContact O-N 3.38Å; F203-L206 HydrophobicContact CD1-CD1 4.29Å; F203-L206 PolarHBondContact O-N 3.23Å; L206-R208 PolarHBondContact O-N 2.9Å; L206-K210 VanDerWaalsContact O-CB 3.24Å; L206-K210 WeakPolarHBondContact O-CB 3.32Å; L206-K210 PolarHBondContact O-N 3.49Å; L206-V892 HydrophobicContact CD1-CB 4.27Å; L206-V892 HydrophobicContact CD1-CG1 3.42Å; L206-V892 VanDerWaalsContact CD1-CG1 3.42Å; L206-V892 HydrophobicContact CD1-CG2 4.18Å; L206-V892 HydrophobicContact CG-CG1 4.04Å; L206-L895 HydrophobicContact CD2-CB 4.09Å; L206-T896 HydrophobicContact CB-CG2 4.35Å; L206-T896 HydrophobicContact CD2-CG2 3.49Å; L206-T896 VanDerWaalsContact CD2-CG2 3.49Å; L206-T896 HydrophobicContact CG-CG2 3.47Å; L206-T896 VanDerWaalsContact CG-CG2 3.47Å; L206-F908 HydrophobicContact CD2-CD1 3.98Å; L206-F908 HydrophobicContact CD2-CE1 3.56Å; L206-F908 HydrophobicContact CD2-CZ 4.05Å |
| 207 | Y | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.7 | -52.8 | 178 | 163.3 | -105.1 | 0 | 0 | 0 | 111.5 | F91 S92 A93 H113 A116 V117 F203 R205 E209 K210 L211 | F91-Y207 HydrophobicContact CB-CD2 4.34Å; F91-Y207 HydrophobicContact CB-CE2 4.29Å; F91-Y207 HydrophobicContact CD1-CD1 4.32Å; F91-Y207 HydrophobicContact CD1-CD2 4.16Å; F91-Y207 AromaticContact CD1-CG 3.84Å; F91-Y207 HydrophobicContact CD1-CG 3.84Å; S92-Y207 WeakPolarHBondContact O-CE1 3.48Å; A93-Y207 WeakPolarHBondContact CA-OH 3.26Å; A93-Y207 WeakPolarHBondContact CB-OH 3.39Å; A93-Y207 PolarHBondContact N-OH 3.2Å; H113-Y207 AromaticContact CE1-CZ 3.95Å; H113-Y207 PolarHBondContact CE1-OH 3Å; H113-Y207 AromaticContact ND1-CE2 3.91Å; H113-Y207 AromaticContact ND1-CZ 3.8Å; H113-Y207 PolarHBondContact ND1-OH 3.02Å; A116-Y207 HydrophobicContact CB-CD2 3.82Å; A116-Y207 HydrophobicContact CB-CE2 3.93Å; V117-Y207 HydrophobicContact CG2-CD2 4.07Å; V117-Y207 HydrophobicContact CG2-CE2 3.72Å; F203-Y207 PolarHBondContact O-N 2.53Å; R205-Y207 VanDerWaalsContact C-N 3.32Å; R205-Y207 PolarHBondContact O-N 3.26Å; Y207-E209 PolarHBondContact O-N 3.16Å; Y207-K210 PolarHBondContact O-N 3.34Å; Y207-L211 HydrophobicContact CE1-CD2 4.43Å; Y207-L211 HydrophobicContact CE2-CD2 4.49Å; Y207-L211 VanDerWaalsContact O-CB 3.27Å; Y207-L211 WeakPolarHBondContact O-CB 3.5Å; Y207-L211 PolarHBondContact O-N 2.85Å |
| 208 | R | 89.1 | Confident | 88.8 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | -174.5 | 84.8 | -173 | 74.5 | -177.4 | 9.1 | 112.9 | M8 G204 R205 L206 K212 H228 G229 M230 W231 | M8-R208 HydrophobicContact SD-CB 3.63Å; G204-R208 WeakPolarHBondContact O-CB 3.38Å; G204-R208 PolarHBondContact O-N 3.03Å; G204-R208 PolarHBondContact O-NE 2.98Å; R205-R208 WeakPolarHBondContact O-CG 3.49Å; R205-R208 PolarHBondContact O-N 3.23Å; L206-R208 PolarHBondContact O-N 2.9Å; R208-K212 WeakPolarHBondContact O-CB 3.27Å; R208-K212 PolarHBondContact O-N 3.07Å; R208-H228 PolarHBondContact NH1-O 2.56Å; R208-G229 WeakPolarHBondContact CD-O 3.49Å; R208-G229 PolarHBondContact NH1-O 2.84Å; R208-M230 PolarHBondContact NH1-SD 3.47Å; R208-M230 VanDerWaalsContact NH1-SD 3.38Å; R208-W231 PolarHBondContact O-NE1 3.32Å |
| 209 | E | 87.5 | Confident | 89.2 | Confident | 49 Ų | 49 | 26.6 Ų | 26.6 | 23% | 0.229 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.7 | -36.6 | -177.4 | -165.3 | 64.6 | -158.5 | 0 | 0 | 109.7 | R205 Y207 L211 K212 E213 K899 F908 | R205-E209 VanDerWaalsContact O-CB 3.22Å; R205-E209 WeakPolarHBondContact O-CB 3.44Å; R205-E209 PolarHBondContact O-N 3.45Å; Y207-E209 PolarHBondContact O-N 3.16Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-K212 WeakPolarHBondContact O-CB 3.48Å; E209-K212 PolarHBondContact O-N 3.08Å; E209-E213 PolarHBondContact O-N 3.01Å; E209-K899 HydrophobicContact CG-CG 3.78Å; E209-F908 HydrophobicContact CB-CE2 3.84Å; E209-F908 HydrophobicContact CB-CZ 3.75Å; E209-F908 HydrophobicContact CG-CE2 3.87Å; E209-F908 HydrophobicContact CG-CZ 3.78Å |
| 210 | K | 90.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 26.2 Ų | 26.2 | 14% | 0.139 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 170.9 | -171.7 | 51.5 | 173.9 | 158.8 | 0 | 111.4 | A116 F119 L206 Y207 K212 E213 Q214 F908 | A116-K210 HydrophobicContact CB-CB 4.33Å; A116-K210 HydrophobicContact CB-CG 4.37Å; F119-K210 HydrophobicContact CB-CG 4.12Å; F119-K210 HydrophobicContact CD1-CB 4.05Å; F119-K210 HydrophobicContact CD1-CG 4Å; F119-K210 HydrophobicContact CG-CG 4.1Å; L206-K210 VanDerWaalsContact O-CB 3.24Å; L206-K210 WeakPolarHBondContact O-CB 3.32Å; L206-K210 PolarHBondContact O-N 3.49Å; Y207-K210 PolarHBondContact O-N 3.34Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K210-E213 VanDerWaalsContact CD-OE2 3.29Å; K210-E213 WeakPolarHBondContact CD-OE2 3.48Å; K210-E213 IonicContact NZ-OE1 3.45Å; K210-E213 PolarHBondContact NZ-OE1 2.77Å; K210-E213 IonicContact NZ-OE2 3.1Å; K210-E213 PolarHBondContact NZ-OE2 2.75Å; K210-E213 PolarHBondContact O-N 2.99Å; K210-Q214 WeakPolarHBondContact O-CG 3.5Å; K210-Q214 PolarHBondContact O-N 2.91Å; K210-Q214 VanDerWaalsContact O-N 3.14Å; K210-F908 HydrophobicContact CB-CD2 4.45Å; K210-F908 HydrophobicContact CB-CE2 4.35Å; K210-F908 HydrophobicContact CD-CD2 4.35Å |
| 211 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 173 | -178.1 | 58.5 | 0 | 0 | 0 | 111.1 | A93 P94 A112 H113 A116 Y207 E209 E213 Q214 V215 W231 | A93-L211 HydrophobicContact CB-CD2 4.4Å; P94-L211 VanDerWaalsContact CD-CD2 3.49Å; P94-L211 HydrophobicContact CG-CD2 4.25Å; A112-L211 HydrophobicContact CB-CD1 4.11Å; H113-L211 HydrophobicContact CB-CD1 4.42Å; A116-L211 HydrophobicContact CB-CB 3.82Å; A116-L211 HydrophobicContact CB-CD1 4.36Å; Y207-L211 HydrophobicContact CE1-CD2 4.43Å; Y207-L211 HydrophobicContact CE2-CD2 4.49Å; Y207-L211 VanDerWaalsContact O-CB 3.27Å; Y207-L211 WeakPolarHBondContact O-CB 3.5Å; Y207-L211 PolarHBondContact O-N 2.85Å; E209-L211 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 3.41Å; L211-Q214 PolarHBondContact O-N 3.33Å; L211-V215 HydrophobicContact CD1-CG2 3.89Å; L211-V215 HydrophobicContact CG-CG2 4.13Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.4Å; L211-V215 PolarHBondContact O-N 3.16Å; L211-W231 HydrophobicContact CB-CZ2 4.35Å; L211-W231 HydrophobicContact CD2-CZ2 4.35Å; L211-W231 HydrophobicContact CG-CH2 4.44Å; L211-W231 HydrophobicContact CG-CZ2 4.07Å |
| 212 | K | 90.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 177 | -169.9 | -173.7 | 173.9 | -163.6 | 0 | 111.5 | R208 E209 K210 Q214 V215 E216 T222 W231 | R208-K212 WeakPolarHBondContact O-CB 3.27Å; R208-K212 PolarHBondContact O-N 3.07Å; E209-K212 WeakPolarHBondContact O-CB 3.48Å; E209-K212 PolarHBondContact O-N 3.08Å; K210-K212 VanDerWaalsContact C-N 3.34Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.23Å; K212-V215 PolarHBondContact O-N 3.21Å; K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 HydrophobicContact CG-CG 4.31Å; K212-E216 WeakPolarHBondContact O-CB 3.39Å; K212-E216 WeakPolarHBondContact O-CG 3.14Å; K212-E216 PolarHBondContact O-N 3.29Å; K212-T222 WeakPolarHBondContact CE-OG1 3.11Å; K212-T222 HydrophobicContact CG-CG2 4.21Å; K212-W231 VanDerWaalsContact CA-CZ2 3.47Å; K212-W231 HydrophobicContact CB-CD2 4.48Å; K212-W231 HydrophobicContact CB-CH2 4.48Å; K212-W231 HydrophobicContact CB-CZ2 3.69Å; K212-W231 HydrophobicContact CG-CD2 4.33Å; K212-W231 HydrophobicContact CG-CZ2 4.23Å |
| 213 | E | 87.2 | Confident | 89.9 | Confident | 62 Ų | 62 | 31.2 Ų | 31.2 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -54.4 | -47 | 176.4 | -169.7 | -165.8 | 142.6 | 0 | 0 | 111.3 | E209 K210 L211 A217 | E209-E213 PolarHBondContact O-N 3.01Å; K210-E213 VanDerWaalsContact CD-OE2 3.29Å; K210-E213 WeakPolarHBondContact CD-OE2 3.48Å; K210-E213 IonicContact NZ-OE1 3.45Å; K210-E213 PolarHBondContact NZ-OE1 2.77Å; K210-E213 IonicContact NZ-OE2 3.1Å; K210-E213 PolarHBondContact NZ-OE2 2.75Å; K210-E213 PolarHBondContact O-N 2.99Å; L211-E213 PolarHBondContact O-N 3.41Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.5Å; E213-A217 PolarHBondContact O-N 2.86Å |
| 214 | Q | 91.5 | Very high | 89.5 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | 178.7 | -60.6 | -59.1 | 27 | 0 | 0 | 113.1 | A112 K210 L211 K212 A217 L218 | A112-Q214 HydrophobicContact CB-CB 3.65Å; A112-Q214 HydrophobicContact CB-CG 4.5Å; K210-Q214 WeakPolarHBondContact O-CG 3.5Å; K210-Q214 PolarHBondContact O-N 2.91Å; K210-Q214 VanDerWaalsContact O-N 3.14Å; L211-Q214 PolarHBondContact O-N 3.33Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.23Å; Q214-A217 PolarHBondContact O-N 2.81Å; Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 2.91Å |
| 215 | V | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 179.4 | 168.1 | 0 | 0 | 0 | 0 | 111 | V97 L109 L211 K212 L218 Y220 T222 W231 M233 | V97-V215 HydrophobicContact CG2-CG2 4.45Å; L109-V215 HydrophobicContact CD2-CG1 4.34Å; L109-V215 HydrophobicContact CD2-CG2 3.81Å; L211-V215 HydrophobicContact CD1-CG2 3.89Å; L211-V215 HydrophobicContact CG-CG2 4.13Å; L211-V215 WeakPolarHBondContact O-CB 3.36Å; L211-V215 VanDerWaalsContact O-CG2 3.22Å; L211-V215 WeakPolarHBondContact O-CG2 3.4Å; L211-V215 PolarHBondContact O-N 3.16Å; K212-V215 PolarHBondContact O-N 3.21Å; V215-L218 WeakPolarHBondContact O-CB 3.33Å; V215-L218 PolarHBondContact O-N 2.99Å; V215-Y220 HydrophobicContact CG1-CD2 4.25Å; V215-Y220 HydrophobicContact CG1-CG 4.18Å; V215-Y220 PolarHBondContact O-N 3.3Å; V215-T222 HydrophobicContact CG1-CG2 4.28Å; V215-W231 HydrophobicContact CB-CH2 4.1Å; V215-W231 HydrophobicContact CG1-CH2 4.07Å; V215-W231 HydrophobicContact CG1-CZ3 4.32Å; V215-W231 HydrophobicContact CG2-CH2 4.11Å; V215-M233 HydrophobicContact CG1-CE 4.05Å |
| 216 | E | 89.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -37 | 174.4 | -70.8 | 179.4 | 161.9 | 0 | 0 | 111.3 | K212 L218 G219 Y220 T222 R309 | K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 HydrophobicContact CG-CG 4.31Å; K212-E216 WeakPolarHBondContact O-CB 3.39Å; K212-E216 WeakPolarHBondContact O-CG 3.14Å; K212-E216 PolarHBondContact O-N 3.29Å; E216-L218 PolarHBondContact O-N 2.72Å; E216-G219 WeakPolarHBondContact O-CA 3.38Å; E216-G219 PolarHBondContact O-N 2.88Å; E216-Y220 WeakPolarHBondContact CA-O 3.48Å; E216-T222 HydrophobicContact CG-CG2 3.77Å; E216-T222 PolarHBondContact OE1-OG1 3.32Å; E216-R309 PolarHBondContact O-NH1 3.03Å |
| 217 | A | 86.7 | Confident | 86.9 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -29.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E213 Q214 G219 | E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.5Å; E213-A217 PolarHBondContact O-N 2.86Å; Q214-A217 PolarHBondContact O-N 2.81Å; A217-G219 PolarHBondContact O-N 3.49Å |
| 218 | L | 91.4 | Very high | 85.6 | Confident | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.5 | 172.3 | -65.9 | 171.5 | 0 | 0 | 0 | 113.8 | R108 L109 A112 Q214 V215 E216 Y220 | R108-L218 HydrophobicContact CB-CD1 3.86Å; R108-L218 HydrophobicContact CB-CD2 4.1Å; L109-L218 HydrophobicContact CD2-CD1 4.07Å; A112-L218 HydrophobicContact CB-CD1 4.39Å; Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 2.91Å; V215-L218 WeakPolarHBondContact O-CB 3.33Å; V215-L218 PolarHBondContact O-N 2.99Å; E216-L218 PolarHBondContact O-N 2.72Å; L218-Y220 HydrophobicContact CB-CD2 4.07Å; L218-Y220 HydrophobicContact CB-CE2 4.38Å |
| 219 | G | 90.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 8.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E216 A217 A302 R305 | E216-G219 WeakPolarHBondContact O-CA 3.38Å; E216-G219 PolarHBondContact O-N 2.88Å; A217-G219 PolarHBondContact O-N 3.49Å; G219-A302 WeakPolarHBondContact CA-O 3.5Å; G219-A302 WeakPolarHBondContact O-CA 3.4Å; G219-R305 PolarHBondContact O-NE 3.43Å; G219-R305 PolarHBondContact O-NH2 3.12Å |
| 220 | Y | 93.3 | Very high | 84.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | trans | -79.8 | 140.3 | 173.3 | -71.6 | -79.6 | 0 | 0 | 0 | 111.7 | M100 D106 L109 V215 E216 L218 M233 Y298 A302 | M100-Y220 HydrophobicContact CE-CE1 4.23Å; D106-Y220 PolarHBondContact OD2-OH 2.86Å; L109-Y220 HydrophobicContact CD1-CE2 4.18Å; L109-Y220 HydrophobicContact CD2-CD2 4Å; L109-Y220 HydrophobicContact CD2-CE2 3.83Å; L109-Y220 HydrophobicContact CG-CE2 4.18Å; V215-Y220 HydrophobicContact CG1-CD2 4.25Å; V215-Y220 HydrophobicContact CG1-CG 4.18Å; V215-Y220 PolarHBondContact O-N 3.3Å; E216-Y220 WeakPolarHBondContact CA-O 3.48Å; L218-Y220 HydrophobicContact CB-CD2 4.07Å; L218-Y220 HydrophobicContact CB-CE2 4.38Å; Y220-M233 HydrophobicContact CD1-SD 3.64Å; Y220-M233 HydrophobicContact CE1-SD 4.2Å; Y220-M233 HydrophobicContact CG-SD 4.08Å; Y220-Y298 HydrophobicContact CD1-CD1 4.18Å; Y220-Y298 AromaticContact CD1-CE1 3.69Å; Y220-Y298 HydrophobicContact CD1-CE1 3.69Å; Y220-Y298 AromaticContact CE1-CD1 3.88Å; Y220-Y298 HydrophobicContact CE1-CD1 3.88Å; Y220-Y298 AromaticContact CE1-CE1 3.86Å; Y220-Y298 HydrophobicContact CE1-CE1 3.86Å; Y220-A302 HydrophobicContact CD1-CB 3.81Å; Y220-A302 HydrophobicContact CD2-CB 4.26Å; Y220-A302 HydrophobicContact CE1-CB 3.75Å; Y220-A302 HydrophobicContact CE2-CB 4.22Å; Y220-A302 HydrophobicContact CG-CB 4.08Å | ||
| 221 | E | 91 | Very high | 84 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | trans | -83.8 | 145.8 | 171.2 | -72.6 | 169.1 | -162.2 | 0 | 0 | 110.1 | P234 R305 | E221-P234 HydrophobicContact CB-CG 4.43Å; E221-P234 WeakPolarHBondContact O-CD 3.24Å; E221-R305 WeakPolarHBondContact OE1-CD 3.24Å; E221-R305 IonicContact OE1-CZ 3.51Å; E221-R305 IonicContact OE1-NE 2.73Å; E221-R305 IonicContact OE1-NH1 3.58Å; E221-R305 PolarHBondContact OE1-NH1 3.35Å; E221-R305 IonicContact OE2-NH1 3.78Å | ||
| 222 | T | 90.5 | Very high | 83.8 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | trans | -132.3 | 145.6 | 178.9 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | K212 V215 E216 W231 | K212-T222 WeakPolarHBondContact CE-OG1 3.11Å; K212-T222 HydrophobicContact CG-CG2 4.21Å; V215-T222 HydrophobicContact CG1-CG2 4.28Å; E216-T222 HydrophobicContact CG-CG2 3.77Å; E216-T222 PolarHBondContact OE1-OG1 3.32Å; T222-W231 HydrophobicContact CG2-CE3 3.68Å; T222-W231 HydrophobicContact CG2-CH2 4.23Å; T222-W231 HydrophobicContact CG2-CZ3 3.51Å | ||
| 223 | E | 85.1 | Confident | 84 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.6 | 173.4 | 68.2 | 175.2 | 175.4 | 0 | 0 | 111.5 | V225 W231 E232 P234 | E223-V225 HydrophobicContact CG-CG1 3.71Å; E223-V225 PolarHBondContact O-N 3.41Å; E223-W231 CarbonylContact O-C 3.54Å; E223-W231 WeakPolarHBondContact O-CA 3.26Å; E223-W231 WeakPolarHBondContact O-CB 3.24Å; E223-E232 PolarHBondContact N-O 3.01Å; E223-E232 PolarHBondContact O-N 2.99Å; E223-P234 HydrophobicContact CB-CG 4.09Å; E223-P234 HydrophobicContact CG-CB 4.47Å; E223-P234 HydrophobicContact CG-CG 3.85Å |
| 224 | V | 81 | Confident | 84.1 | Confident | 92 Ų | 92 | 45.4 Ų | 45.4 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 104.7 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | M230 W231 | V224-M230 WeakPolarHBondContact CG1-O 3.44Å; V224-W231 HydrophobicContact CG2-CB 4.43Å |
| 225 | V | 79.1 | Confident | 83.9 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -8.4 | -177.6 | -61 | 0 | 0 | 0 | 0 | 113.8 | E223 M230 E232 | E223-V225 HydrophobicContact CG-CG1 3.71Å; E223-V225 PolarHBondContact O-N 3.41Å; V225-M230 PolarHBondContact N-O 3.42Å; V225-M230 VanDerWaalsContact N-O 3.11Å; V225-E232 HydrophobicContact CG1-CB 4.33Å; V225-E232 HydrophobicContact CG2-CB 3.96Å; V225-E232 HydrophobicContact CG2-CG 3.61Å |
| 226 | G | 66.3 | Low | 83.7 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M230 | G226-M230 PolarHBondContact N-O 3.3Å; G226-M230 VanDerWaalsContact N-O 3.15Å |
| 227 | K | 63.8 | Low | 83.6 | Confident | 156 Ų | 156 | 46.2 Ų | 46.2 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -65.5 | 156.2 | -179.1 | -65.5 | -174.9 | -179.1 | 177.9 | 0 | 112 | G229 M230 | K227-G229 PolarHBondContact O-N 3.39Å; K227-M230 VanDerWaalsContact O-CG 3.25Å; K227-M230 WeakPolarHBondContact O-CG 3.26Å; K227-M230 PolarHBondContact O-N 3.34Å |
| 228 | H | 65.4 | Low | 83.5 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | 60.5 | 22.7 | 176.2 | -50.4 | -66.5 | 0 | 0 | 0 | 116.1 | R205 R208 | R205-H228 PolarHBondContact NE-O 2.98Å; R208-H228 PolarHBondContact NH1-O 2.56Å |
| 229 | G | 69.1 | Low | 83 | Confident | 29 Ų | 29 | 47 Ų | 47 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | 85.7 | 24.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R208 K227 W231 | R208-G229 WeakPolarHBondContact CD-O 3.49Å; R208-G229 PolarHBondContact NH1-O 2.84Å; K227-G229 PolarHBondContact O-N 3.39Å; G229-W231 PolarHBondContact O-N 2.9Å |
| 230 | M | 76.8 | Confident | 82.4 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.7 | 170.7 | -68 | -69.8 | -74.3 | 0 | 0 | 109 | Y5 M8 R208 V224 V225 G226 K227 | Y5-M230 HydrophobicContact CG-CE 4.24Å; M8-M230 HydrophobicContact CE-CE 3.7Å; M8-M230 HydrophobicContact CE-SD 3.62Å; M8-M230 HydrophobicContact CG-CE 4.13Å; M8-M230 HydrophobicContact CG-SD 3.88Å; M8-M230 HydrophobicContact SD-CE 4.44Å; M8-M230 HydrophobicContact SD-SD 3.81Å; R208-M230 PolarHBondContact NH1-SD 3.47Å; R208-M230 VanDerWaalsContact NH1-SD 3.38Å; V224-M230 WeakPolarHBondContact CG1-O 3.44Å; V225-M230 PolarHBondContact N-O 3.42Å; V225-M230 VanDerWaalsContact N-O 3.11Å; G226-M230 PolarHBondContact N-O 3.3Å; G226-M230 VanDerWaalsContact N-O 3.15Å; K227-M230 VanDerWaalsContact O-CG 3.25Å; K227-M230 WeakPolarHBondContact O-CG 3.26Å; K227-M230 PolarHBondContact O-N 3.34Å |
| 231 | W | 87.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.1 | -177 | 64.3 | -96 | 0 | 0 | 0 | 110.7 | P94 V97 R208 L211 K212 V215 T222 E223 V224 G229 | P94-W231 HydrophobicContact CG-CD2 4.42Å; P94-W231 HydrophobicContact CG-CH2 4.12Å; P94-W231 HydrophobicContact CG-CZ2 3.96Å; P94-W231 HydrophobicContact CG-CZ3 4.4Å; V97-W231 HydrophobicContact CG2-CH2 3.71Å; V97-W231 HydrophobicContact CG2-CZ3 4.01Å; R208-W231 PolarHBondContact O-NE1 3.32Å; L211-W231 HydrophobicContact CB-CZ2 4.35Å; L211-W231 HydrophobicContact CD2-CZ2 4.35Å; L211-W231 HydrophobicContact CG-CH2 4.44Å; L211-W231 HydrophobicContact CG-CZ2 4.07Å; K212-W231 VanDerWaalsContact CA-CZ2 3.47Å; K212-W231 HydrophobicContact CB-CD2 4.48Å; K212-W231 HydrophobicContact CB-CH2 4.48Å; K212-W231 HydrophobicContact CB-CZ2 3.69Å; K212-W231 HydrophobicContact CG-CD2 4.33Å; K212-W231 HydrophobicContact CG-CZ2 4.23Å; V215-W231 HydrophobicContact CB-CH2 4.1Å; V215-W231 HydrophobicContact CG1-CH2 4.07Å; V215-W231 HydrophobicContact CG1-CZ3 4.32Å; V215-W231 HydrophobicContact CG2-CH2 4.11Å; T222-W231 HydrophobicContact CG2-CE3 3.68Å; T222-W231 HydrophobicContact CG2-CH2 4.23Å; T222-W231 HydrophobicContact CG2-CZ3 3.51Å; E223-W231 CarbonylContact O-C 3.54Å; E223-W231 WeakPolarHBondContact O-CA 3.26Å; E223-W231 WeakPolarHBondContact O-CB 3.24Å; V224-W231 HydrophobicContact CG2-CB 4.43Å; G229-W231 PolarHBondContact O-N 2.9Å |
| 232 | E | 90.9 | Very high | 81.1 | Confident | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 168.8 | 174.4 | -67.6 | -68.4 | 174.2 | 0 | 0 | 108.7 | K95 S96 E223 V225 V238 | K95-E232 PolarHBondContact N-OE1 3.43Å; K95-E232 PolarHBondContact N-OE2 2.78Å; S96-E232 WeakPolarHBondContact CB-OE2 3.26Å; S96-E232 PolarHBondContact N-OE2 3.42Å; S96-E232 PolarHBondContact OG-OE2 3.27Å; E223-E232 PolarHBondContact N-O 3.01Å; E223-E232 PolarHBondContact O-N 2.99Å; V225-E232 HydrophobicContact CG1-CB 4.33Å; V225-E232 HydrophobicContact CG2-CB 3.96Å; V225-E232 HydrophobicContact CG2-CG 3.61Å; E232-V238 HydrophobicContact CB-CG2 4.49Å; E232-V238 HydrophobicContact CG-CG2 4.25Å |
| 233 | M | 92.6 | Very high | 80.3 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | trans | -83.9 | 129 | 172.7 | -63.4 | -178.8 | -146.1 | 0 | 0 | 110.6 | S96 V97 M100 L109 V215 Y220 V236 Y298 | S96-M233 PolarHBondContact OG-N 3.31Å; V97-M233 HydrophobicContact CB-CE 4.11Å; V97-M233 HydrophobicContact CG2-CE 3.53Å; M100-M233 HydrophobicContact CB-CE 4.4Å; M100-M233 HydrophobicContact CG-CE 4.34Å; M100-M233 HydrophobicContact CG-SD 4.05Å; L109-M233 HydrophobicContact CD1-CE 4.39Å; V215-M233 HydrophobicContact CG1-CE 4.05Å; Y220-M233 HydrophobicContact CD1-SD 3.64Å; Y220-M233 HydrophobicContact CE1-SD 4.2Å; Y220-M233 HydrophobicContact CG-SD 4.08Å; M233-V236 HydrophobicContact CB-CB 4.36Å; M233-V236 HydrophobicContact CB-CG2 3.7Å; M233-V236 WeakPolarHBondContact O-CB 3.48Å; M233-V236 PolarHBondContact O-N 2.53Å; M233-Y298 HydrophobicContact SD-CE1 4.15Å | ||
| 234 | P | 90.6 | Very high | 79.5 | Confident | 34 Ų | 34 | 43 Ų | 43 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 138.9 | 179.1 | -18.8 | 27.6 | 0 | 0 | 0 | 112.1 | E221 E223 V236 Y298 | E221-P234 HydrophobicContact CB-CG 4.43Å; E221-P234 WeakPolarHBondContact O-CD 3.24Å; E223-P234 HydrophobicContact CB-CG 4.09Å; E223-P234 HydrophobicContact CG-CB 4.47Å; E223-P234 HydrophobicContact CG-CG 3.85Å; P234-V236 VanDerWaalsContact C-N 3.25Å; P234-V236 PolarHBondContact O-N 3.21Å; P234-Y298 WeakPolarHBondContact O-CE2 3.31Å; P234-Y298 PolarHBondContact O-OH 3.24Å |
| 235 | G | 87.3 | Confident | 78.9 | Confident | 68 Ų | 68 | 39.3 Ų | 39.3 | 70% | 0.701 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | F293 | G235-F293 WeakPolarHBondContact O-CD2 3.08Å; G235-F293 WeakPolarHBondContact O-CE2 3.33Å |
| 236 | V | 88.7 | Confident | 78.4 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.085 | 25% | 0.246 | C | C | . | . | trans | -84.9 | 128.6 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 110 | M99 M233 P234 V238 F293 Y298 | M99-V236 HydrophobicContact CE-CG1 3.29Å; M233-V236 HydrophobicContact CB-CB 4.36Å; M233-V236 HydrophobicContact CB-CG2 3.7Å; M233-V236 WeakPolarHBondContact O-CB 3.48Å; M233-V236 PolarHBondContact O-N 2.53Å; P234-V236 VanDerWaalsContact C-N 3.25Å; P234-V236 PolarHBondContact O-N 3.21Å; V236-V238 VanDerWaalsContact C-N 3.34Å; V236-V238 PolarHBondContact O-N 3.04Å; V236-F293 HydrophobicContact CB-CZ 4.48Å; V236-F293 HydrophobicContact CG2-CE2 4.13Å; V236-F293 HydrophobicContact CG2-CZ 3.81Å; V236-Y298 HydrophobicContact CG2-CE1 4.01Å; V236-Y298 HydrophobicContact CG2-CE2 4.37Å | ||
| 237 | P | 87.5 | Confident | 78.6 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -80.8 | 73.2 | -168.8 | 33.1 | -37.8 | 0 | 0 | 0 | 112.9 | E239 L288 T291 F293 | P237-E239 PolarHBondContact O-N 2.92Å; P237-L288 HydrophobicContact CG-CD1 4.36Å; P237-T291 HydrophobicContact CB-CG2 3.85Å; P237-T291 HydrophobicContact CG-CG2 4.15Å; P237-T291 WeakPolarHBondContact CG-OG1 3.4Å; P237-F293 HydrophobicContact CG-CB 3.9Å; P237-F293 HydrophobicContact CG-CD1 4.43Å; P237-F293 HydrophobicContact CG-CG 4.12Å | ||
| 238 | V | 85.4 | Confident | 78.7 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -64.8 | -36.1 | -175.4 | 173.5 | 0 | 0 | 0 | 0 | 113.3 | Y5 K95 M99 E232 V236 A240 F241 | Y5-V238 VanDerWaalsContact OH-CG1 3.22Å; Y5-V238 WeakPolarHBondContact OH-CG1 3.44Å; K95-V238 HydrophobicContact CB-CG1 3.59Å; K95-V238 HydrophobicContact CB-CG2 4.37Å; K95-V238 HydrophobicContact CG-CG1 3.96Å; M99-V238 HydrophobicContact CE-CB 4.48Å; M99-V238 HydrophobicContact CE-CG2 4Å; E232-V238 HydrophobicContact CB-CG2 4.49Å; E232-V238 HydrophobicContact CG-CG2 4.25Å; V236-V238 VanDerWaalsContact C-N 3.34Å; V236-V238 PolarHBondContact O-N 3.04Å; V238-A240 VanDerWaalsContact C-N 3.26Å; V238-A240 PolarHBondContact O-N 3.34Å; V238-F241 PolarHBondContact O-N 3.38Å |
| 239 | E | 79.7 | Confident | 78.8 | Confident | 111 Ų | 111 | 33.1 Ų | 33.1 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -63.5 | -31.1 | -171.8 | -60.5 | -146.7 | 164.3 | 0 | 0 | 113.4 | P237 F241 S242 | P237-E239 PolarHBondContact O-N 2.92Å; E239-F241 PolarHBondContact O-N 3.39Å; E239-F241 VanDerWaalsContact O-N 3.15Å; E239-S242 PolarHBondContact O-N 2.98Å |
| 240 | A | 78.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -64.2 | -19.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V238 T287 T291 | V238-A240 VanDerWaalsContact C-N 3.26Å; V238-A240 PolarHBondContact O-N 3.34Å; A240-T287 HydrophobicContact CB-CG2 4.14Å; A240-T291 HydrophobicContact CB-CG2 4.06Å |
| 241 | F | 81 | Confident | 78.5 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -123.7 | 23.4 | -177.1 | -63.4 | -80 | 0 | 0 | 0 | 112.6 | K95 M99 L103 E160 P161 V238 E239 W284 T287 L288 | K95-F241 WeakPolarHBondContact CE-O 3.45Å; K95-F241 PolarHBondContact NZ-O 3.24Å; M99-F241 HydrophobicContact CG-CD2 4.41Å; M99-F241 HydrophobicContact SD-CB 4.38Å; M99-F241 HydrophobicContact SD-CD2 3.28Å; M99-F241 WeakPolarHBondContact SD-CD2 3.34Å; M99-F241 HydrophobicContact SD-CE2 3.79Å; M99-F241 HydrophobicContact SD-CG 4.09Å; L103-F241 HydrophobicContact CD2-CZ 4.32Å; E160-F241 VanDerWaalsContact CD-C 3.48Å; P161-F241 HydrophobicContact CG-CD1 3.86Å; P161-F241 HydrophobicContact CG-CE1 4.24Å; P161-F241 HydrophobicContact CG-CG 4.32Å; V238-F241 PolarHBondContact O-N 3.38Å; E239-F241 PolarHBondContact O-N 3.39Å; E239-F241 VanDerWaalsContact O-N 3.15Å; F241-W284 HydrophobicContact CE1-CB 3.96Å; F241-W284 AromaticContact CE1-CD1 3.96Å; F241-W284 HydrophobicContact CE1-CG 4.09Å; F241-W284 HydrophobicContact CZ-CB 4.44Å; F241-W284 WeakPolarHBondContact CZ-O 3.27Å; F241-T287 HydrophobicContact CE1-CG2 4.05Å; F241-T287 HydrophobicContact CE2-CG2 4.31Å; F241-T287 HydrophobicContact CZ-CG2 3.81Å; F241-L288 HydrophobicContact CE2-CB 4.31Å; F241-L288 HydrophobicContact CE2-CD1 4.21Å; F241-L288 HydrophobicContact CZ-CB 4.21Å |
| 242 | S | 76.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | trans | -114.4 | 30 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 113.4 | E239 R244 S245 Q246 | E239-S242 PolarHBondContact O-N 2.98Å; S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact O-N 3.45Å; S242-S245 PolarHBondContact O-N 2.81Å; S242-S245 WeakPolarHBondContact OG-CB 3.45Å; S242-S245 PolarHBondContact OG-OG 2.88Å; S242-Q246 PolarHBondContact O-N 2.75Å | ||
| 243 | G | 72.7 | Confident | 75.7 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -39.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E160 S245 Q246 T247 | E160-G243 WeakPolarHBondContact OE1-CA 3.26Å; E160-G243 PolarHBondContact OE1-N 3.36Å; E160-G243 PolarHBondContact OE2-N 2.84Å; G243-S245 PolarHBondContact O-N 3.36Å; G243-Q246 VanDerWaalsContact O-CB 3.31Å; G243-Q246 WeakPolarHBondContact O-CB 3.13Å; G243-Q246 PolarHBondContact O-N 3.31Å; G243-T247 PolarHBondContact O-N 2.77Å; G243-T247 PolarHBondContact O-OG1 3.25Å |
| 244 | R | 69.1 | Low | 73.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 179.7 | -167.7 | 165.1 | -169 | 101.9 | 5.9 | 113.6 | D158 S242 Q246 T247 I248 | D158-R244 IonicContact OD1-CZ 3.55Å; D158-R244 IonicContact OD1-NH1 2.75Å; D158-R244 PolarHBondContact OD1-NH1 2.75Å; D158-R244 WeakPolarHBondContact OD2-CB 3.36Å; D158-R244 WeakPolarHBondContact OD2-CD 3.2Å; D158-R244 WeakPolarHBondContact OD2-CG 3.28Å; D158-R244 IonicContact OD2-CZ 2.81Å; D158-R244 IonicContact OD2-NE 3.7Å; D158-R244 IonicContact OD2-NH1 3.83Å; D158-R244 PolarHBondContact OD2-NH1 2.78Å; S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact O-N 3.45Å; R244-Q246 PolarHBondContact O-N 3.49Å; R244-T247 PolarHBondContact O-N 2.76Å; R244-I248 HydrophobicContact CG-CD1 4.16Å; R244-I248 WeakPolarHBondContact O-CG1 3.16Å; R244-I248 PolarHBondContact O-N 2.87Å |
| 245 | S | 67.7 | Low | 71.8 | Confident | 15 Ų | 15 | 53 Ų | 53 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -35 | 178 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | S242 G243 R249 | S242-S245 PolarHBondContact O-N 2.81Å; S242-S245 WeakPolarHBondContact OG-CB 3.45Å; S242-S245 PolarHBondContact OG-OG 2.88Å; G243-S245 PolarHBondContact O-N 3.36Å; S245-R249 VanDerWaalsContact O-CB 3.23Å; S245-R249 WeakPolarHBondContact O-CB 3.26Å; S245-R249 PolarHBondContact O-N 2.94Å |
| 246 | Q | 69.2 | Low | 69.9 | Low | 97 Ų | 97 | 50.9 Ų | 50.9 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 176.1 | -152.5 | 167.8 | 14.1 | 0 | 0 | 111.1 | S242 G243 R244 I248 R249 E250 | S242-Q246 PolarHBondContact O-N 2.75Å; G243-Q246 VanDerWaalsContact O-CB 3.31Å; G243-Q246 WeakPolarHBondContact O-CB 3.13Å; G243-Q246 PolarHBondContact O-N 3.31Å; R244-Q246 PolarHBondContact O-N 3.49Å; Q246-I248 PolarHBondContact O-N 2.76Å; Q246-R249 CarbonylContact O-C 3.57Å; Q246-R249 WeakPolarHBondContact O-CB 3.26Å; Q246-R249 PolarHBondContact O-N 2.98Å; Q246-R249 VanDerWaalsContact O-N 3.16Å; Q246-E250 WeakPolarHBondContact O-CB 3.31Å; Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 3.44Å |
| 247 | T | 70.3 | Confident | 67.9 | Low | 63 Ų | 63 | 51.8 Ų | 51.8 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.9 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | G243 R244 R249 E250 A251 | G243-T247 PolarHBondContact O-N 2.77Å; G243-T247 PolarHBondContact O-OG1 3.25Å; R244-T247 PolarHBondContact O-N 2.76Å; T247-R249 VanDerWaalsContact C-N 3.32Å; T247-E250 PolarHBondContact O-N 2.76Å; T247-A251 WeakPolarHBondContact O-CB 3.33Å; T247-A251 PolarHBondContact O-N 2.99Å |
| 248 | I | 66.7 | Low | 66.1 | Low | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.7 | -66 | 166.3 | 0 | 0 | 0 | 109.8 | R244 Q246 A251 V252 R261 A265 | R244-I248 HydrophobicContact CG-CD1 4.16Å; R244-I248 WeakPolarHBondContact O-CG1 3.16Å; R244-I248 PolarHBondContact O-N 2.87Å; Q246-I248 PolarHBondContact O-N 2.76Å; I248-A251 PolarHBondContact O-N 2.49Å; I248-V252 HydrophobicContact CG2-CG2 4.37Å; I248-V252 WeakPolarHBondContact O-CG2 3.5Å; I248-V252 PolarHBondContact O-N 3.36Å; I248-R261 HydrophobicContact CG2-CB 4.44Å; I248-R261 HydrophobicContact CG2-CG 4.42Å; I248-A265 HydrophobicContact CD1-CB 3.72Å; I248-A265 HydrophobicContact CG1-CB 4.22Å |
| 249 | R | 66.4 | Low | 64.3 | Low | 45 Ų | 45 | 61.2 Ų | 61.2 | 17% | 0.17 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 179.1 | -159.9 | -175.1 | -53 | 148 | 4.5 | 111.8 | G4 S245 Q246 T247 A251 G253 E254 | G4-R249 VanDerWaalsContact N-CZ 3.32Å; G4-R249 VanDerWaalsContact N-NE 3.12Å; G4-R249 PolarHBondContact O-NE 3.07Å; G4-R249 PolarHBondContact O-NH2 3.44Å; S245-R249 VanDerWaalsContact O-CB 3.23Å; S245-R249 WeakPolarHBondContact O-CB 3.26Å; S245-R249 PolarHBondContact O-N 2.94Å; Q246-R249 CarbonylContact O-C 3.57Å; Q246-R249 WeakPolarHBondContact O-CB 3.26Å; Q246-R249 PolarHBondContact O-N 2.98Å; Q246-R249 VanDerWaalsContact O-N 3.16Å; T247-R249 VanDerWaalsContact C-N 3.32Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.99Å; R249-G253 VanDerWaalsContact O-CA 3.24Å; R249-G253 WeakPolarHBondContact O-CA 3.34Å; R249-G253 PolarHBondContact O-N 2.65Å; R249-E254 HydrophobicContact CG-CG 4.23Å |
| 250 | E | 71.1 | Confident | 62.9 | Low | 150 Ų | 150 | 58.3 Ų | 58.3 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 173.6 | -75.5 | 173.8 | -179.9 | 0 | 0 | 112.1 | Q246 T247 | Q246-E250 WeakPolarHBondContact O-CB 3.31Å; Q246-E250 WeakPolarHBondContact O-CG 3.25Å; Q246-E250 PolarHBondContact O-N 3.44Å; T247-E250 PolarHBondContact O-N 2.76Å |
| 251 | A | 67.9 | Low | 61.9 | Low | 52 Ų | 52 | 58.8 Ų | 58.8 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.6 | -32.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T247 I248 R249 A264 T268 | T247-A251 WeakPolarHBondContact O-CB 3.33Å; T247-A251 PolarHBondContact O-N 2.99Å; I248-A251 PolarHBondContact O-N 2.49Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 2.99Å; A251-A264 HydrophobicContact CB-CB 4.37Å; A251-T268 HydrophobicContact CB-CG2 3.56Å |
| 252 | V | 64.3 | Low | 60.5 | Low | 47 Ų | 47 | 61.9 Ų | 61.9 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -121.2 | -7.7 | -176.6 | -75 | 0 | 0 | 0 | 0 | 115.4 | I248 A256 R261 A264 | I248-V252 HydrophobicContact CG2-CG2 4.37Å; I248-V252 WeakPolarHBondContact O-CG2 3.5Å; I248-V252 PolarHBondContact O-N 3.36Å; V252-A256 HydrophobicContact CB-CB 3.43Å; V252-A256 VanDerWaalsContact CB-CB 3.43Å; V252-A256 HydrophobicContact CG1-CB 4.44Å; V252-A256 HydrophobicContact CG2-CB 3.58Å; V252-A256 VanDerWaalsContact O-CB 3.32Å; V252-A256 WeakPolarHBondContact O-CB 3.23Å; V252-R261 HydrophobicContact CG2-CG 3.78Å; V252-A264 HydrophobicContact CB-CB 4.36Å; V252-A264 HydrophobicContact CG1-CB 3.33Å; V252-A264 HydrophobicContact CG2-CB 4.14Å |
| 253 | G | 55.6 | Low | 59.6 | Low | 33 Ų | 33 | 65.1 Ų | 65.1 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | trans | 82.4 | 167.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R249 D255 | R249-G253 VanDerWaalsContact O-CA 3.24Å; R249-G253 WeakPolarHBondContact O-CA 3.34Å; R249-G253 PolarHBondContact O-N 2.65Å; G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 PolarHBondContact O-N 3.14Å | ||
| 254 | E | 52.4 | Low | 59 | Low | 107 Ų | 107 | 64.3 Ų | 64.3 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.8 | -177 | -80 | -159.5 | 148.7 | 0 | 0 | 112.9 | R249 R261 | R249-E254 HydrophobicContact CG-CG 4.23Å; E254-R261 PolarHBondContact O-NH2 3.09Å |
| 255 | D | 49.5 | Very low | 58.7 | Low | 136 Ų | 136 | 63.2 Ų | 63.2 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.6 | -170.6 | -59.5 | -45 | 0 | 0 | 0 | 114.7 | G253 | G253-D255 VanDerWaalsContact C-N 3.32Å; G253-D255 PolarHBondContact O-N 3.14Å |
| 256 | A | 47.2 | Very low | 58.5 | Low | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -63.5 | 139.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V252 R261 | V252-A256 HydrophobicContact CB-CB 3.43Å; V252-A256 VanDerWaalsContact CB-CB 3.43Å; V252-A256 HydrophobicContact CG1-CB 4.44Å; V252-A256 HydrophobicContact CG2-CB 3.58Å; V252-A256 VanDerWaalsContact O-CB 3.32Å; V252-A256 WeakPolarHBondContact O-CB 3.23Å; A256-R261 HydrophobicContact CB-CG 4.28Å | ||
| 257 | S | 46.8 | Very low | 58.3 | Low | 33 Ų | 33 | 69.3 Ų | 69.3 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | trans | -58.9 | 149.9 | 178.2 | 93.3 | 0 | 0 | 0 | 0 | 111.9 | K259 S260 R261 | S257-K259 PolarHBondContact O-N 3.45Å; S257-S260 CarbonylContact O-C 3.47Å; S257-S260 WeakPolarHBondContact O-CA 3.42Å; S257-S260 VanDerWaalsContact O-CB 3.25Å; S257-S260 WeakPolarHBondContact O-CB 3.32Å; S257-S260 PolarHBondContact O-N 2.81Å; S257-S260 PolarHBondContact OG-N 3.24Å; S257-S260 PolarHBondContact OG-OG 3.49Å; S257-R261 PolarHBondContact O-N 3.05Å | ||
| 258 | L | 50 | Low | 58.3 | Low | 87 Ų | 87 | 68.4 Ų | 68.4 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -53.6 | -41.2 | -178.9 | -69.1 | 160.3 | 0 | 0 | 0 | 112.6 | F7 S260 R261 D262 | F7-L258 HydrophobicContact CD2-CD2 4.43Å; F7-L258 HydrophobicContact CE1-CD2 4.18Å; F7-L258 HydrophobicContact CE2-CB 4Å; F7-L258 HydrophobicContact CE2-CD2 3.48Å; F7-L258 VanDerWaalsContact CE2-CD2 3.48Å; F7-L258 HydrophobicContact CE2-CG 4.2Å; F7-L258 HydrophobicContact CZ-CB 3.99Å; F7-L258 HydrophobicContact CZ-CD1 3.86Å; F7-L258 HydrophobicContact CZ-CD2 3.35Å; F7-L258 HydrophobicContact CZ-CG 3.89Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 2.93Å; L258-R261 PolarHBondContact O-N 3.32Å; L258-D262 PolarHBondContact O-N 3.29Å |
| 259 | K | 47 | Very low | 57.9 | Low | 153 Ų | 153 | 73.4 Ų | 73.4 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 176.6 | -157.7 | 177.3 | -175 | -176.8 | 0 | 111.6 | S257 D262 V263 | S257-K259 PolarHBondContact O-N 3.45Å; K259-D262 PolarHBondContact O-N 3.4Å; K259-V263 WeakPolarHBondContact O-CB 3.16Å; K259-V263 VanDerWaalsContact O-CG2 3.22Å; K259-V263 WeakPolarHBondContact O-CG2 3.44Å; K259-V263 PolarHBondContact O-N 3.4Å |
| 260 | S | 50.9 | Low | 57.9 | Low | 50 Ų | 50 | 78.9 Ų | 78.9 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.1 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | S257 L258 V263 A264 | S257-S260 CarbonylContact O-C 3.47Å; S257-S260 WeakPolarHBondContact O-CA 3.42Å; S257-S260 VanDerWaalsContact O-CB 3.25Å; S257-S260 WeakPolarHBondContact O-CB 3.32Å; S257-S260 PolarHBondContact O-N 2.81Å; S257-S260 PolarHBondContact OG-N 3.24Å; S257-S260 PolarHBondContact OG-OG 3.49Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 2.93Å; S260-V263 PolarHBondContact O-N 2.85Å; S260-A264 VanDerWaalsContact O-CB 3.28Å; S260-A264 WeakPolarHBondContact O-CB 3.16Å; S260-A264 PolarHBondContact O-N 3.31Å |
| 261 | R | 58.1 | Low | 57.3 | Low | 54 Ų | 54 | 76.7 Ų | 76.7 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.2 | -76.2 | -179.4 | 172 | -175.3 | 3.1 | 112.3 | I248 V252 E254 A256 S257 L258 V263 A264 A265 | I248-R261 HydrophobicContact CG2-CB 4.44Å; I248-R261 HydrophobicContact CG2-CG 4.42Å; V252-R261 HydrophobicContact CG2-CG 3.78Å; E254-R261 PolarHBondContact O-NH2 3.09Å; A256-R261 HydrophobicContact CB-CG 4.28Å; S257-R261 PolarHBondContact O-N 3.05Å; L258-R261 PolarHBondContact O-N 3.32Å; R261-V263 VanDerWaalsContact C-N 3.34Å; R261-A264 PolarHBondContact O-N 2.92Å; R261-A265 WeakPolarHBondContact O-CB 3.15Å; R261-A265 PolarHBondContact O-N 2.88Å |
| 262 | D | 52.1 | Low | 57 | Low | 71 Ų | 71 | 77 Ų | 77 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 174.6 | -79 | -14.3 | 0 | 0 | 0 | 111.7 | L258 K259 A265 L266 | L258-D262 PolarHBondContact O-N 3.29Å; K259-D262 PolarHBondContact O-N 3.4Å; D262-A265 PolarHBondContact O-N 3.16Å; D262-L266 PolarHBondContact O-N 3.43Å |
| 263 | V | 56.5 | Low | 57 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | K259 S260 R261 A265 L266 D267 | K259-V263 WeakPolarHBondContact O-CB 3.16Å; K259-V263 VanDerWaalsContact O-CG2 3.22Å; K259-V263 WeakPolarHBondContact O-CG2 3.44Å; K259-V263 PolarHBondContact O-N 3.4Å; S260-V263 PolarHBondContact O-N 2.85Å; R261-V263 VanDerWaalsContact C-N 3.34Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 2.94Å; V263-L266 CarbonylContact O-C 3.55Å; V263-L266 WeakPolarHBondContact O-CA 3.5Å; V263-L266 WeakPolarHBondContact O-CB 3.45Å; V263-L266 PolarHBondContact O-N 3.46Å; V263-D267 PolarHBondContact O-N 2.94Å |
| 264 | A | 61.1 | Low | 57.4 | Low | 7 Ų | 7 | 87.4 Ų | 87.4 | 6% | 0.058 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A251 V252 S260 R261 L266 D267 T268 | A251-A264 HydrophobicContact CB-CB 4.37Å; V252-A264 HydrophobicContact CB-CB 4.36Å; V252-A264 HydrophobicContact CG1-CB 3.33Å; V252-A264 HydrophobicContact CG2-CB 4.14Å; S260-A264 VanDerWaalsContact O-CB 3.28Å; S260-A264 WeakPolarHBondContact O-CB 3.16Å; S260-A264 PolarHBondContact O-N 3.31Å; R261-A264 PolarHBondContact O-N 2.92Å; A264-L266 PolarHBondContact O-N 2.71Å; A264-D267 PolarHBondContact O-N 3.04Å; A264-T268 VanDerWaalsContact O-CB 3.31Å; A264-T268 WeakPolarHBondContact O-CB 3.47Å; A264-T268 WeakPolarHBondContact O-CG2 3.48Å; A264-T268 PolarHBondContact O-N 3.2Å; A264-T268 PolarHBondContact O-OG1 3.37Å |
| 265 | A | 62.7 | Low | 58.1 | Low | 19 Ų | 19 | 84.4 Ų | 84.4 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.5 | -28.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I248 R261 D262 V263 R269 | I248-A265 HydrophobicContact CD1-CB 3.72Å; I248-A265 HydrophobicContact CG1-CB 4.22Å; R261-A265 WeakPolarHBondContact O-CB 3.15Å; R261-A265 PolarHBondContact O-N 2.88Å; D262-A265 PolarHBondContact O-N 3.16Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 2.94Å; A265-R269 WeakPolarHBondContact O-CB 3.47Å |
| 266 | L | 63.1 | Low | 59.3 | Low | 102 Ų | 102 | 82.1 Ų | 82.1 | 53% | 0.534 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -82.2 | -37 | 172 | -81.3 | 161.7 | 0 | 0 | 0 | 113.4 | D262 V263 A264 R269 | D262-L266 PolarHBondContact O-N 3.43Å; V263-L266 CarbonylContact O-C 3.55Å; V263-L266 WeakPolarHBondContact O-CA 3.5Å; V263-L266 WeakPolarHBondContact O-CB 3.45Å; V263-L266 PolarHBondContact O-N 3.46Å; A264-L266 PolarHBondContact O-N 2.71Å; L266-R269 WeakPolarHBondContact O-CB 3.48Å |
| 267 | D | 63.7 | Low | 60.5 | Low | 137 Ų | 137 | 82.3 Ų | 82.3 | 73% | 0.733 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -78.8 | -42.4 | -177.9 | -91.1 | 1.4 | 0 | 0 | 0 | 112.4 | V263 A264 R269 | V263-D267 PolarHBondContact O-N 2.94Å; A264-D267 PolarHBondContact O-N 3.04Å; D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.12Å |
| 268 | T | 70.2 | Confident | 62 | Low | 44 Ų | 44 | 87 Ų | 87 | 27% | 0.27 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -73.2 | 1.6 | 173.9 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | A251 A264 K270 | A251-T268 HydrophobicContact CB-CG2 3.56Å; A264-T268 VanDerWaalsContact O-CB 3.31Å; A264-T268 WeakPolarHBondContact O-CB 3.47Å; A264-T268 WeakPolarHBondContact O-CG2 3.48Å; A264-T268 PolarHBondContact O-N 3.2Å; A264-T268 PolarHBondContact O-OG1 3.37Å; T268-K270 PolarHBondContact O-N 3.07Å |
| 269 | R | 59.8 | Low | 63.5 | Low | 116 Ų | 116 | 86.4 Ų | 86.4 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | trans | -72.8 | 102 | -170.7 | -161.5 | 176 | -161.8 | -159.8 | 1.6 | 111.2 | R157 A265 L266 D267 | R157-R269 VanDerWaalsContact NH1-CG 3.3Å; A265-R269 WeakPolarHBondContact O-CB 3.47Å; L266-R269 WeakPolarHBondContact O-CB 3.48Å; D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | K | 65.1 | Low | 65.2 | Low | 160 Ų | 160 | 80.9 Ų | 80.9 | 70% | 0.696 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 151.1 | 166.2 | -66.7 | 178.5 | -177.3 | 172.1 | 0 | 111.4 | T268 | T268-K270 PolarHBondContact O-N 3.07Š|
| 271 | S | 59.8 | Low | 66.5 | Low | 104 Ų | 104 | 81 Ų | 81 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 137.5 | 168 | 35.7 | 0 | 0 | 0 | 0 | 109.5 | Q273 | S271-Q273 PolarHBondContact O-N 2.99Å; S271-Q273 VanDerWaalsContact O-N 3.13Å |
| 272 | K | 62.1 | Low | 67.8 | Low | 60 Ų | 60 | 81.3 Ų | 81.3 | 26% | 0.261 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 117.3 | 179.6 | -155.6 | 175 | -175.5 | -179.5 | 0 | 107.5 | N29 R157 Q159 | N29-K272 PolarHBondContact OD1-NZ 3.37Å; R157-K272 HydrophobicContact CG-CD 4.45Å; Q159-K272 VanDerWaalsContact OE1-CE 3.23Å |
| 273 | Q | 63.7 | Low | 69.4 | Low | 147 Ų | 147 | 82.5 Ų | 82.5 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 125.6 | 176.2 | -76.8 | -176.1 | -12.9 | 0 | 0 | 109.1 | Q159 S271 V275 | Q159-Q273 PolarHBondContact NE2-O 3.19Å; S271-Q273 PolarHBondContact O-N 2.99Å; S271-Q273 VanDerWaalsContact O-N 3.13Å; Q273-V275 HydrophobicContact CB-CG2 4.29Å; Q273-V275 PolarHBondContact O-N 3.2Å |
| 274 | H | 64.5 | Low | 70.9 | Confident | 150 Ų | 150 | 79.5 Ų | 79.5 | 69% | 0.694 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 117.3 | 173.1 | -144.4 | 25.3 | 0 | 0 | 0 | 107.5 | D28 | D28-H274 IonicContact OD1-CE1 3.46Å; D28-H274 PolarHBondContact OD1-CE1 2.86Å; D28-H274 IonicContact OD1-ND1 3.99Å; D28-H274 IonicContact OD2-CE1 2.87Å; D28-H274 PolarHBondContact OD2-CE1 3.2Å; D28-H274 IonicContact OD2-CG 2.61Å; D28-H274 IonicContact OD2-ND1 3.96Å; D28-H274 PolarHBondContact OD2-ND1 3.41Å |
| 275 | V | 66.7 | Low | 72 | Confident | 45 Ų | 45 | 83.7 Ų | 83.7 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | trans | -137.8 | 145.3 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 107 | Q273 P277 | Q273-V275 HydrophobicContact CB-CG2 4.29Å; Q273-V275 PolarHBondContact O-N 3.2Å; V275-P277 WeakPolarHBondContact O-CD 2.86Å; V275-P277 VanDerWaalsContact O-N 3.16Å | ||
| 276 | D | 74.8 | Confident | 73.2 | Confident | 88 Ų | 88 | 88.5 Ų | 88.5 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | trans | -52.3 | 117.8 | 178.7 | -165.5 | -32.4 | 0 | 0 | 0 | 111 | E278 V279 R280 | D276-E278 PolarHBondContact O-N 3.48Å; D276-E278 WeakPolarHBondContact OD1-CB 3.29Å; D276-E278 PolarHBondContact OD1-N 2.84Å; D276-V279 HydrophobicContact CB-CB 4.25Å; D276-V279 HydrophobicContact CB-CG2 3.89Å; D276-V279 PolarHBondContact O-N 2.84Å; D276-R280 PolarHBondContact O-N 3.31Å | ||
| 277 | P | 72.7 | Confident | 74.3 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | -178.9 | -25.4 | 34.8 | 0 | 0 | 0 | 113.9 | Y31 V275 R280 M281 | Y31-P277 HydrophobicContact CD1-CB 3.19Å; Y31-P277 HydrophobicContact CD1-CG 4.3Å; Y31-P277 HydrophobicContact CD2-CB 3.54Å; Y31-P277 HydrophobicContact CD2-CG 3.8Å; Y31-P277 HydrophobicContact CE1-CB 3.53Å; Y31-P277 HydrophobicContact CE2-CB 3.85Å; Y31-P277 HydrophobicContact CE2-CG 4.24Å; Y31-P277 HydrophobicContact CG-CB 3.19Å; Y31-P277 HydrophobicContact CG-CG 3.83Å; V275-P277 WeakPolarHBondContact O-CD 2.86Å; V275-P277 VanDerWaalsContact O-N 3.16Å; P277-R280 PolarHBondContact O-N 3.38Å; P277-M281 WeakPolarHBondContact O-CB 3.41Å; P277-M281 PolarHBondContact O-N 2.85Å |
| 278 | E | 77.1 | Confident | 75.4 | Confident | 132 Ų | 132 | 79.8 Ų | 79.8 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.2 | -40.8 | -176.9 | -141.7 | 171.5 | -124.6 | 0 | 0 | 111 | Y31 D276 R280 M281 A282 | Y31-E278 WeakPolarHBondContact OH-CG 3.46Å; Y31-E278 PolarHBondContact OH-OE1 3.23Å; D276-E278 PolarHBondContact O-N 3.48Å; D276-E278 WeakPolarHBondContact OD1-CB 3.29Å; D276-E278 PolarHBondContact OD1-N 2.84Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 2.83Å; E278-M281 PolarHBondContact O-N 3.12Å; E278-A282 PolarHBondContact O-N 2.99Å |
| 279 | V | 82.5 | Confident | 76.1 | Confident | 74 Ų | 74 | 85.7 Ų | 85.7 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 173 | 177 | 0 | 0 | 0 | 0 | 110.3 | D276 A282 E283 | D276-V279 HydrophobicContact CB-CB 4.25Å; D276-V279 HydrophobicContact CB-CG2 3.89Å; D276-V279 PolarHBondContact O-N 2.84Å; V279-A282 WeakPolarHBondContact O-CB 3.44Å; V279-A282 PolarHBondContact O-N 3.41Å; V279-E283 PolarHBondContact O-N 3.33Å |
| 280 | R | 81.4 | Confident | 77.4 | Confident | 37 Ų | 37 | 86.9 Ų | 86.9 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | -179.6 | -173.1 | 133.4 | -68.9 | 155.4 | -1.9 | 112.9 | Q159 D276 P277 E278 A282 E283 W284 | Q159-R280 WeakPolarHBondContact O-CD 3.19Å; D276-R280 PolarHBondContact O-N 3.31Å; P277-R280 PolarHBondContact O-N 3.38Å; E278-R280 VanDerWaalsContact C-N 3.31Å; E278-R280 PolarHBondContact O-N 2.83Å; R280-A282 VanDerWaalsContact C-N 3.26Å; R280-A282 PolarHBondContact O-N 2.53Å; R280-E283 IonicContact NE-OE2 2.63Å; R280-E283 IonicContact NH2-OE2 3.83Å; R280-E283 WeakPolarHBondContact O-CB 3.24Å; R280-E283 PolarHBondContact O-N 3.37Å; R280-W284 HydrophobicContact CG-CD2 4.15Å; R280-W284 HydrophobicContact CG-CH2 4.32Å; R280-W284 HydrophobicContact CG-CZ2 3.6Å; R280-W284 VanDerWaalsContact O-CG 3.32Å; R280-W284 PolarHBondContact O-N 2.77Å |
| 281 | M | 79.5 | Confident | 78.5 | Confident | 53 Ų | 53 | 82 Ų | 82 | 26% | 0.261 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 175.7 | -173 | 61.8 | 128.6 | 0 | 0 | 111.4 | V32 P277 E278 W284 M285 | V32-M281 HydrophobicContact CB-CE 4.03Å; V32-M281 HydrophobicContact CG1-CE 3.3Å; V32-M281 HydrophobicContact CG1-SD 4.3Å; V32-M281 HydrophobicContact CG2-CE 3.76Å; V32-M281 HydrophobicContact CG2-SD 4.03Å; P277-M281 WeakPolarHBondContact O-CB 3.41Å; P277-M281 PolarHBondContact O-N 2.85Å; E278-M281 PolarHBondContact O-N 3.12Å; M281-W284 PolarHBondContact O-N 2.96Å; M281-W284 HydrophobicContact SD-CE3 4.12Å; M281-M285 WeakPolarHBondContact O-CB 3.47Å; M281-M285 PolarHBondContact O-N 2.88Å |
| 282 | A | 84.2 | Confident | 79.7 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 49% | 0.488 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E278 V279 R280 M285 Q286 | E278-A282 PolarHBondContact O-N 2.99Å; V279-A282 WeakPolarHBondContact O-CB 3.44Å; V279-A282 PolarHBondContact O-N 3.41Å; R280-A282 VanDerWaalsContact C-N 3.26Å; R280-A282 PolarHBondContact O-N 2.53Å; A282-M285 PolarHBondContact O-N 2.72Å; A282-Q286 WeakPolarHBondContact O-CB 2.89Å; A282-Q286 PolarHBondContact O-N 3.15Å |
| 283 | E | 86.3 | Confident | 80.8 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 173.5 | -73 | 177.1 | 158.2 | 0 | 0 | 111 | V279 R280 M285 Q286 T287 | V279-E283 PolarHBondContact O-N 3.33Å; R280-E283 IonicContact NE-OE2 2.63Å; R280-E283 IonicContact NH2-OE2 3.83Å; R280-E283 WeakPolarHBondContact O-CB 3.24Å; R280-E283 PolarHBondContact O-N 3.37Å; E283-M285 PolarHBondContact O-N 2.98Å; E283-Q286 WeakPolarHBondContact O-CB 3.49Å; E283-Q286 PolarHBondContact O-N 3.38Å; E283-Q286 VanDerWaalsContact O-N 3.11Å; E283-T287 PolarHBondContact O-N 2.79Å; E283-T287 PolarHBondContact O-OG1 3.11Å; E283-T287 VanDerWaalsContact O-OG1 3.12Å |
| 284 | W | 87.6 | Confident | 82 | Confident | 13 Ų | 13 | 76.9 Ų | 76.9 | 5% | 0.049 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | -179.5 | -63.9 | -15.3 | 0 | 0 | 0 | 112.8 | V32 M102 L103 T155 Q159 P161 F241 R280 M281 Q286 T287 L288 | V32-W284 HydrophobicContact CG2-CZ3 3.93Å; M102-W284 HydrophobicContact CE-CH2 4.22Å; M102-W284 HydrophobicContact CE-CZ3 3.71Å; L103-W284 HydrophobicContact CD2-CB 4.01Å; T155-W284 HydrophobicContact CG2-CH2 3.87Å; T155-W284 HydrophobicContact CG2-CZ2 3.92Å; Q159-W284 WeakPolarHBondContact O-CZ2 3.42Å; Q159-W284 PolarHBondContact O-NE1 2.93Å; Q159-W284 VanDerWaalsContact O-NE1 3.08Å; P161-W284 HydrophobicContact CB-CD2 4.38Å; P161-W284 HydrophobicContact CB-CE3 4.03Å; P161-W284 HydrophobicContact CB-CH2 4.2Å; P161-W284 HydrophobicContact CB-CZ3 3.92Å; P161-W284 HydrophobicContact CG-CD2 3.63Å; P161-W284 HydrophobicContact CG-CE3 3.74Å; P161-W284 HydrophobicContact CG-CG 4.05Å; P161-W284 HydrophobicContact CG-CH2 4.35Å; P161-W284 HydrophobicContact CG-CZ2 4.27Å; P161-W284 HydrophobicContact CG-CZ3 4.08Å; F241-W284 HydrophobicContact CE1-CB 3.96Å; F241-W284 AromaticContact CE1-CD1 3.96Å; F241-W284 HydrophobicContact CE1-CG 4.09Å; F241-W284 HydrophobicContact CZ-CB 4.44Å; F241-W284 WeakPolarHBondContact CZ-O 3.27Å; R280-W284 HydrophobicContact CG-CD2 4.15Å; R280-W284 HydrophobicContact CG-CH2 4.32Å; R280-W284 HydrophobicContact CG-CZ2 3.6Å; R280-W284 VanDerWaalsContact O-CG 3.32Å; R280-W284 PolarHBondContact O-N 2.77Å; M281-W284 PolarHBondContact O-N 2.96Å; M281-W284 HydrophobicContact SD-CE3 4.12Å; W284-Q286 VanDerWaalsContact C-N 3.25Å; W284-Q286 PolarHBondContact O-N 3.03Å; W284-T287 PolarHBondContact O-N 2.95Å; W284-L288 WeakPolarHBondContact O-CB 3.46Å; W284-L288 PolarHBondContact O-N 3.1Å |
| 285 | M | 84.8 | Confident | 83.2 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 174.6 | -84.1 | -84.1 | -111.9 | 0 | 0 | 112.4 | M281 A282 E283 K289 | M281-M285 WeakPolarHBondContact O-CB 3.47Å; M281-M285 PolarHBondContact O-N 2.88Å; A282-M285 PolarHBondContact O-N 2.72Å; E283-M285 PolarHBondContact O-N 2.98Å; M285-K289 WeakPolarHBondContact O-CG 3.16Å; M285-K289 PolarHBondContact O-N 2.86Å; M285-K289 VanDerWaalsContact O-N 3.15Å |
| 286 | Q | 87 | Confident | 84.1 | Confident | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71.9 | -48.8 | 176.3 | -176.1 | 164.4 | -17.4 | 0 | 0 | 111.7 | A282 E283 W284 L288 K289 E290 | A282-Q286 WeakPolarHBondContact O-CB 2.89Å; A282-Q286 PolarHBondContact O-N 3.15Å; E283-Q286 WeakPolarHBondContact O-CB 3.49Å; E283-Q286 PolarHBondContact O-N 3.38Å; E283-Q286 VanDerWaalsContact O-N 3.11Å; W284-Q286 VanDerWaalsContact C-N 3.25Å; W284-Q286 PolarHBondContact O-N 3.03Å; Q286-L288 VanDerWaalsContact C-N 3.27Å; Q286-L288 PolarHBondContact O-N 3.45Å; Q286-K289 WeakPolarHBondContact O-CB 3.22Å; Q286-K289 PolarHBondContact O-N 3.41Å; Q286-E290 WeakPolarHBondContact O-CG 3.36Å; Q286-E290 PolarHBondContact O-N 2.75Å |
| 287 | T | 86.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 28% | 0.282 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | A240 F241 E283 W284 E290 | A240-T287 HydrophobicContact CB-CG2 4.14Å; F241-T287 HydrophobicContact CE1-CG2 4.05Å; F241-T287 HydrophobicContact CE2-CG2 4.31Å; F241-T287 HydrophobicContact CZ-CG2 3.81Å; E283-T287 PolarHBondContact O-N 2.79Å; E283-T287 PolarHBondContact O-OG1 3.11Å; E283-T287 VanDerWaalsContact O-OG1 3.12Å; W284-T287 PolarHBondContact O-N 2.95Å; T287-E290 PolarHBondContact O-N 3.11Å |
| 288 | L | 86.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.8 | -172.5 | 103.4 | 0 | 0 | 0 | 111.4 | L103 P237 F241 W284 Q286 E290 T291 F293 I295 | L103-L288 HydrophobicContact CD2-CB 4.07Å; L103-L288 HydrophobicContact CD2-CD1 4.16Å; L103-L288 HydrophobicContact CD2-CG 4.49Å; P237-L288 HydrophobicContact CG-CD1 4.36Å; F241-L288 HydrophobicContact CE2-CB 4.31Å; F241-L288 HydrophobicContact CE2-CD1 4.21Å; F241-L288 HydrophobicContact CZ-CB 4.21Å; W284-L288 WeakPolarHBondContact O-CB 3.46Å; W284-L288 PolarHBondContact O-N 3.1Å; Q286-L288 VanDerWaalsContact C-N 3.27Å; Q286-L288 PolarHBondContact O-N 3.45Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 3.3Å; L288-T291 PolarHBondContact O-N 2.82Å; L288-T291 VanDerWaalsContact O-N 3.14Å; L288-T291 PolarHBondContact O-OG1 3.34Å; L288-F293 HydrophobicContact CD1-CD1 4.26Å; L288-I295 HydrophobicContact CD1-CD1 4.2Å; L288-I295 HydrophobicContact CD2-CD1 3.3Å; L288-I295 HydrophobicContact CD2-CG1 3.88Å; L288-I295 HydrophobicContact CG-CD1 4.39Å |
| 289 | K | 85.3 | Confident | 86.4 | Confident | 169 Ų | 169 | 73.5 Ų | 73.5 | 74% | 0.735 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.4 | -35.2 | 176.4 | -83.9 | 179.2 | 177.5 | 177.3 | 0 | 113 | M285 Q286 T291 G292 | M285-K289 WeakPolarHBondContact O-CG 3.16Å; M285-K289 PolarHBondContact O-N 2.86Å; M285-K289 VanDerWaalsContact O-N 3.15Å; Q286-K289 WeakPolarHBondContact O-CB 3.22Å; Q286-K289 PolarHBondContact O-N 3.41Å; K289-T291 PolarHBondContact O-N 2.9Å; K289-G292 PolarHBondContact O-N 3.29Å; K289-G292 VanDerWaalsContact O-N 3.11Å |
| 290 | E | 87.9 | Confident | 86.8 | Confident | 140 Ų | 140 | 74.8 Ų | 74.8 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.7 | -22 | 178.8 | -70.9 | 170.4 | -176.3 | 0 | 0 | 113 | Q286 T287 L288 G292 | Q286-E290 WeakPolarHBondContact O-CG 3.36Å; Q286-E290 PolarHBondContact O-N 2.75Å; T287-E290 PolarHBondContact O-N 3.11Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 3.3Å; E290-G292 VanDerWaalsContact C-N 3.33Å |
| 291 | T | 86.5 | Confident | 87.2 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 36% | 0.362 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.9 | 175.7 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | P237 A240 L288 K289 F293 | P237-T291 HydrophobicContact CB-CG2 3.85Å; P237-T291 HydrophobicContact CG-CG2 4.15Å; P237-T291 WeakPolarHBondContact CG-OG1 3.4Å; A240-T291 HydrophobicContact CB-CG2 4.06Å; L288-T291 PolarHBondContact O-N 2.82Å; L288-T291 VanDerWaalsContact O-N 3.14Å; L288-T291 PolarHBondContact O-OG1 3.34Å; K289-T291 PolarHBondContact O-N 2.9Å; T291-F293 VanDerWaalsContact C-N 3.29Å; T291-F293 PolarHBondContact O-N 3.39Å; T291-F293 WeakPolarHBondContact OG1-CB 3.24Å; T291-F293 PolarHBondContact OG1-N 3.44Å |
| 292 | G | 85.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 72 Ų | 72 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 11.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | K289 E290 | K289-G292 PolarHBondContact O-N 3.29Å; K289-G292 VanDerWaalsContact O-N 3.11Å; E290-G292 VanDerWaalsContact C-N 3.33Å |
| 293 | F | 86.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | trans | -79.5 | 123 | -179.7 | -177 | -107 | 0 | 0 | 0 | 112.4 | M100 G235 V236 P237 L288 T291 I295 Y298 | M100-F293 HydrophobicContact SD-CE1 3.9Å; M100-F293 HydrophobicContact SD-CZ 4.11Å; G235-F293 WeakPolarHBondContact O-CD2 3.08Å; G235-F293 WeakPolarHBondContact O-CE2 3.33Å; V236-F293 HydrophobicContact CB-CZ 4.48Å; V236-F293 HydrophobicContact CG2-CE2 4.13Å; V236-F293 HydrophobicContact CG2-CZ 3.81Å; P237-F293 HydrophobicContact CG-CB 3.9Å; P237-F293 HydrophobicContact CG-CD1 4.43Å; P237-F293 HydrophobicContact CG-CG 4.12Å; L288-F293 HydrophobicContact CD1-CD1 4.26Å; T291-F293 VanDerWaalsContact C-N 3.29Å; T291-F293 PolarHBondContact O-N 3.39Å; T291-F293 WeakPolarHBondContact OG1-CB 3.24Å; T291-F293 PolarHBondContact OG1-N 3.44Å; F293-I295 HydrophobicContact CD1-CG1 3.79Å; F293-I295 HydrophobicContact CE1-CB 4.39Å; F293-I295 HydrophobicContact CE1-CG1 3.52Å; F293-Y298 AromaticContact CE2-CD2 3.91Å; F293-Y298 HydrophobicContact CE2-CD2 3.91Å; F293-Y298 HydrophobicContact CE2-CE2 4.49Å; F293-Y298 HydrophobicContact CE2-CG 4.15Å; F293-Y298 HydrophobicContact CZ-CD1 4.23Å; F293-Y298 AromaticContact CZ-CD2 3.99Å; F293-Y298 HydrophobicContact CZ-CD2 3.99Å; F293-Y298 AromaticContact CZ-CG 3.75Å; F293-Y298 HydrophobicContact CZ-CG 3.75Å | ||
| 294 | D | 88.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | trans | -93.8 | 100.3 | 173.3 | -171.2 | -17.8 | 0 | 0 | 0 | 111.3 | R296 A297 Y298 | D294-R296 VanDerWaalsContact C-N 3.3Å; D294-R296 PolarHBondContact O-N 3.49Å; D294-R296 PolarHBondContact OD1-N 3.12Å; D294-A297 HydrophobicContact CB-CB 4.03Å; D294-A297 PolarHBondContact OD1-N 2.85Å; D294-Y298 PolarHBondContact O-N 2.63Å | ||
| 295 | I | 88.6 | Confident | 88.1 | Confident | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57 | -38.4 | 177.7 | -92.5 | 176.4 | 0 | 0 | 0 | 113.2 | M100 L103 L288 F293 R299 | M100-I295 HydrophobicContact SD-CG1 4.15Å; L103-I295 HydrophobicContact CB-CD1 3.91Å; L288-I295 HydrophobicContact CD1-CD1 4.2Å; L288-I295 HydrophobicContact CD2-CD1 3.3Å; L288-I295 HydrophobicContact CD2-CG1 3.88Å; L288-I295 HydrophobicContact CG-CD1 4.39Å; F293-I295 HydrophobicContact CD1-CG1 3.79Å; F293-I295 HydrophobicContact CE1-CB 4.39Å; F293-I295 HydrophobicContact CE1-CG1 3.52Å; I295-R299 WeakPolarHBondContact O-CG 3.23Å; I295-R299 PolarHBondContact O-N 2.93Å; I295-R299 VanDerWaalsContact O-N 3.15Å |
| 296 | R | 86.7 | Confident | 88.1 | Confident | 198 Ų | 198 | 72.3 Ų | 72.3 | 75% | 0.747 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.3 | -46.5 | -173.7 | -73.8 | -175.4 | 179.8 | 176.7 | -0.3 | 110.1 | D294 Y298 R299 D300 | D294-R296 VanDerWaalsContact C-N 3.3Å; D294-R296 PolarHBondContact O-N 3.49Å; D294-R296 PolarHBondContact OD1-N 3.12Å; R296-Y298 PolarHBondContact O-N 3.15Å; R296-R299 WeakPolarHBondContact O-CB 3.43Å; R296-R299 PolarHBondContact O-N 3.17Å; R296-D300 PolarHBondContact O-N 3.47Å |
| 297 | A | 90.2 | Very high | 87.9 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.8 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D294 D300 A301 | D294-A297 HydrophobicContact CB-CB 4.03Å; D294-A297 PolarHBondContact OD1-N 2.85Å; A297-D300 PolarHBondContact O-N 2.96Å; A297-A301 PolarHBondContact O-N 3.14Å |
| 298 | Y | 92 | Very high | 87.5 | Confident | 36 Ų | 36 | 74 Ų | 74 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.2 | -161.7 | -94.9 | 0 | 0 | 0 | 113 | M100 Y220 M233 P234 V236 F293 D294 R296 A302 | M100-Y298 HydrophobicContact CE-CD1 4.05Å; M100-Y298 HydrophobicContact SD-CD1 4.26Å; Y220-Y298 HydrophobicContact CD1-CD1 4.18Å; Y220-Y298 AromaticContact CD1-CE1 3.69Å; Y220-Y298 HydrophobicContact CD1-CE1 3.69Å; Y220-Y298 AromaticContact CE1-CD1 3.88Å; Y220-Y298 HydrophobicContact CE1-CD1 3.88Å; Y220-Y298 AromaticContact CE1-CE1 3.86Å; Y220-Y298 HydrophobicContact CE1-CE1 3.86Å; M233-Y298 HydrophobicContact SD-CE1 4.15Å; P234-Y298 WeakPolarHBondContact O-CE2 3.31Å; P234-Y298 PolarHBondContact O-OH 3.24Å; V236-Y298 HydrophobicContact CG2-CE1 4.01Å; V236-Y298 HydrophobicContact CG2-CE2 4.37Å; F293-Y298 AromaticContact CE2-CD2 3.91Å; F293-Y298 HydrophobicContact CE2-CD2 3.91Å; F293-Y298 HydrophobicContact CE2-CE2 4.49Å; F293-Y298 HydrophobicContact CE2-CG 4.15Å; F293-Y298 HydrophobicContact CZ-CD1 4.23Å; F293-Y298 AromaticContact CZ-CD2 3.99Å; F293-Y298 HydrophobicContact CZ-CD2 3.99Å; F293-Y298 AromaticContact CZ-CG 3.75Å; F293-Y298 HydrophobicContact CZ-CG 3.75Å; D294-Y298 PolarHBondContact O-N 2.63Å; R296-Y298 PolarHBondContact O-N 3.15Å; Y298-A302 PolarHBondContact O-N 3.2Å |
| 299 | R | 90.4 | Very high | 87 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 173.4 | -73.3 | -178.2 | 65.1 | -173.6 | -7.5 | 111.9 | M100 G104 D106 I295 R296 A301 A302 D303 | M100-R299 HydrophobicContact CE-CG 3.54Å; G104-R299 PolarHBondContact O-NH1 3.15Å; D106-R299 IonicContact OD2-CZ 2.72Å; D106-R299 IonicContact OD2-NE 3.99Å; D106-R299 PolarHBondContact OD2-NE 3.1Å; D106-R299 IonicContact OD2-NH2 3.5Å; I295-R299 WeakPolarHBondContact O-CG 3.23Å; I295-R299 PolarHBondContact O-N 2.93Å; I295-R299 VanDerWaalsContact O-N 3.15Å; R296-R299 WeakPolarHBondContact O-CB 3.43Å; R296-R299 PolarHBondContact O-N 3.17Å; R299-A301 PolarHBondContact O-N 3.42Å; R299-A302 WeakPolarHBondContact O-CA 3.5Å; R299-A302 WeakPolarHBondContact O-CB 3.39Å; R299-A302 PolarHBondContact O-N 3.4Å; R299-D303 PolarHBondContact O-N 2.95Å |
| 300 | D | 90.3 | Very high | 86.2 | Confident | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 179.3 | -65.5 | -21.8 | 0 | 0 | 0 | 111.1 | R296 A297 D303 Q304 | R296-D300 PolarHBondContact O-N 3.47Å; A297-D300 PolarHBondContact O-N 2.96Å; D300-D303 PolarHBondContact O-N 3.43Å; D300-Q304 PolarHBondContact O-N 3.42Å |
| 301 | A | 90.9 | Very high | 84.6 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 26% | 0.256 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A297 R299 R305 | A297-A301 PolarHBondContact O-N 3.14Å; R299-A301 PolarHBondContact O-N 3.42Å; A301-R305 WeakPolarHBondContact O-CG 3.26Å; A301-R305 PolarHBondContact O-N 3.46Å; A301-R305 VanDerWaalsContact O-N 3.07Å |
| 302 | A | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G219 Y220 Y298 R299 Q304 R305 A306 | G219-A302 WeakPolarHBondContact CA-O 3.5Å; G219-A302 WeakPolarHBondContact O-CA 3.4Å; Y220-A302 HydrophobicContact CD1-CB 3.81Å; Y220-A302 HydrophobicContact CD2-CB 4.26Å; Y220-A302 HydrophobicContact CE1-CB 3.75Å; Y220-A302 HydrophobicContact CE2-CB 4.22Å; Y220-A302 HydrophobicContact CG-CB 4.08Å; Y298-A302 PolarHBondContact O-N 3.2Å; R299-A302 WeakPolarHBondContact O-CA 3.5Å; R299-A302 WeakPolarHBondContact O-CB 3.39Å; R299-A302 PolarHBondContact O-N 3.4Å; A302-Q304 VanDerWaalsContact C-N 3.34Å; A302-Q304 PolarHBondContact O-N 3.11Å; A302-R305 PolarHBondContact O-N 3.41Å; A302-R305 VanDerWaalsContact O-N 3.17Å; A302-A306 PolarHBondContact O-N 3.25Å |
| 303 | D | 89 | Confident | 80.4 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 176.6 | -69.3 | -32.3 | 0 | 0 | 0 | 111.1 | R108 R299 D300 R305 A306 E307 | R108-D303 IonicContact CZ-OD1 3.68Å; R108-D303 VanDerWaalsContact CZ-OD1 3.31Å; R108-D303 IonicContact NH1-OD1 3.07Å; R108-D303 PolarHBondContact NH1-OD1 2.83Å; R108-D303 IonicContact NH2-OD1 2.78Å; R108-D303 PolarHBondContact NH2-OD1 3.07Å; R108-D303 IonicContact NH2-OD2 2.87Å; R299-D303 PolarHBondContact O-N 2.95Å; D300-D303 PolarHBondContact O-N 3.43Å; D303-R305 PolarHBondContact O-N 3.03Å; D303-A306 PolarHBondContact O-N 3.14Å; D303-E307 PolarHBondContact O-N 3.48Å |
| 304 | Q | 89.8 | Confident | 78 | Confident | 134 Ų | 134 | 82.4 Ų | 82.4 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 171.8 | -86.9 | -175.2 | -5.8 | 0 | 0 | 112.8 | D300 A302 E307 T308 | D300-Q304 PolarHBondContact O-N 3.42Å; A302-Q304 VanDerWaalsContact C-N 3.34Å; A302-Q304 PolarHBondContact O-N 3.11Å; Q304-E307 PolarHBondContact O-N 3.25Å; Q304-T308 WeakPolarHBondContact O-CB 3.36Å; Q304-T308 PolarHBondContact O-N 3.25Å; Q304-T308 PolarHBondContact O-OG1 2.89Å |
| 305 | R | 88.1 | Confident | 75.7 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 24% | 0.242 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.8 | -76.3 | -176.9 | -66.7 | -109.6 | -10.4 | 112.2 | G219 E221 A301 A302 D303 T308 R309 | G219-R305 PolarHBondContact O-NE 3.43Å; G219-R305 PolarHBondContact O-NH2 3.12Å; E221-R305 WeakPolarHBondContact OE1-CD 3.24Å; E221-R305 IonicContact OE1-CZ 3.51Å; E221-R305 IonicContact OE1-NE 2.73Å; E221-R305 IonicContact OE1-NH1 3.58Å; E221-R305 PolarHBondContact OE1-NH1 3.35Å; E221-R305 IonicContact OE2-NH1 3.78Å; A301-R305 WeakPolarHBondContact O-CG 3.26Å; A301-R305 PolarHBondContact O-N 3.46Å; A301-R305 VanDerWaalsContact O-N 3.07Å; A302-R305 PolarHBondContact O-N 3.41Å; A302-R305 VanDerWaalsContact O-N 3.17Å; D303-R305 PolarHBondContact O-N 3.03Å; R305-T308 PolarHBondContact O-N 3.44Å; R305-R309 PolarHBondContact O-N 3.28Å |
| 306 | A | 84.2 | Confident | 73.4 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 19% | 0.19 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A302 D303 T308 R309 T310 | A302-A306 PolarHBondContact O-N 3.25Å; D303-A306 PolarHBondContact O-N 3.14Å; A306-T308 VanDerWaalsContact C-N 3.34Å; A306-R309 PolarHBondContact O-N 2.83Å; A306-T310 PolarHBondContact O-N 2.9Å; A306-T310 VanDerWaalsContact O-N 3.07Å; A306-T310 PolarHBondContact O-OG1 3.06Å |
| 307 | E | 82 | Confident | 71.2 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 171.8 | -79.4 | -173.5 | 170.6 | 0 | 0 | 111.4 | D303 Q304 R309 T310 Q311 | D303-E307 PolarHBondContact O-N 3.48Å; Q304-E307 PolarHBondContact O-N 3.25Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 3.16Å; E307-T310 WeakPolarHBondContact CA-OG1 3.48Å; E307-T310 PolarHBondContact O-N 2.88Å; E307-T310 PolarHBondContact O-OG1 3.25Å; E307-Q311 WeakPolarHBondContact O-CA 3.32Å; E307-Q311 WeakPolarHBondContact O-CB 3.29Å; E307-Q311 VanDerWaalsContact O-CG 3.25Å; E307-Q311 WeakPolarHBondContact O-CG 3.38Å; E307-Q311 PolarHBondContact O-N 2.9Å |
| 308 | T | 79.7 | Confident | 69 | Low | 96 Ų | 96 | 88 Ų | 88 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.4 | -36.4 | -179.4 | -48 | 0 | 0 | 0 | 0 | 111.4 | Q304 R305 A306 Q311 A312 | Q304-T308 WeakPolarHBondContact O-CB 3.36Å; Q304-T308 PolarHBondContact O-N 3.25Å; Q304-T308 PolarHBondContact O-OG1 2.89Å; R305-T308 PolarHBondContact O-N 3.44Å; A306-T308 VanDerWaalsContact C-N 3.34Å; T308-Q311 CarbonylContact O-C 3.58Å; T308-A312 PolarHBondContact O-N 2.78Å |
| 309 | R | 74.7 | Confident | 66.8 | Low | 162 Ų | 162 | 93.8 Ų | 93.8 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -36.8 | 174.4 | -80 | -178.7 | 173 | 174.4 | -3.2 | 113.2 | E216 R305 A306 E307 | E216-R309 PolarHBondContact O-NH1 3.03Å; R305-R309 PolarHBondContact O-N 3.28Å; A306-R309 PolarHBondContact O-N 2.83Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 3.16Å |
| 310 | T | 68.8 | Low | 65 | Low | 119 Ų | 119 | 91.9 Ų | 91.9 | 73% | 0.73 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -83.9 | -34.4 | 178.7 | 36.6 | 0 | 0 | 0 | 0 | 112.9 | A306 E307 A312 | A306-T310 PolarHBondContact O-N 2.9Å; A306-T310 VanDerWaalsContact O-N 3.07Å; A306-T310 PolarHBondContact O-OG1 3.06Å; E307-T310 WeakPolarHBondContact CA-OG1 3.48Å; E307-T310 PolarHBondContact O-N 2.88Å; E307-T310 PolarHBondContact O-OG1 3.25Å; T310-A312 VanDerWaalsContact C-N 3.33Å |
| 311 | Q | 54.2 | Low | 63.6 | Low | 122 Ų | 122 | 88.9 Ų | 88.9 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | trans | -93.8 | 31.6 | 175.4 | -56.9 | 179 | 15.9 | 0 | 0 | 111.6 | E307 T308 P313 | E307-Q311 WeakPolarHBondContact O-CA 3.32Å; E307-Q311 WeakPolarHBondContact O-CB 3.29Å; E307-Q311 VanDerWaalsContact O-CG 3.25Å; E307-Q311 WeakPolarHBondContact O-CG 3.38Å; E307-Q311 PolarHBondContact O-N 2.9Å; T308-Q311 CarbonylContact O-C 3.58Å; Q311-P313 VanDerWaalsContact C-CD 3.4Å; Q311-P313 WeakPolarHBondContact O-CD 3.18Å; Q311-P313 WeakPolarHBondContact O-CG 3.13Å | ||
| 312 | A | 48.5 | Very low | 62.9 | Low | 79 Ų | 79 | 92.1 Ų | 92.1 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | trans | -82.8 | 89.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | T308 T310 | T308-A312 PolarHBondContact O-N 2.78Å; T310-A312 VanDerWaalsContact C-N 3.33Å | ||
| 313 | P | 36.8 | Very low | 62.7 | Low | 115 Ų | 115 | 93 Ų | 93 | 75% | 0.747 | 54% | 0.537 | S | S | * | . | trans | -109.9 | 109.2 | -163.8 | 19.5 | 6.9 | 0 | 0 | 0 | 108.9 | Q311 | Q311-P313 VanDerWaalsContact C-CD 3.4Å; Q311-P313 WeakPolarHBondContact O-CD 3.18Å; Q311-P313 WeakPolarHBondContact O-CG 3.13Å | ||
| 314 | G | 35.7 | Very low | 62.5 | Low | 61 Ų | 61 | 92.5 Ų | 92.5 | 63% | 0.629 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 107.8 | 150.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A316 | G314-A316 PolarHBondContact O-N 3.24Å; G314-A316 VanDerWaalsContact O-N 3.15Å |
| 315 | P | 39 | Very low | 62.4 | Low | 127 Ų | 127 | 91.3 Ų | 91.3 | 83% | 0.825 | 53% | 0.527 | S | S | * | . | trans | -54.1 | 125.1 | 173.4 | 24 | -31.7 | 0 | 0 | 0 | 108 | S317 | P315-S317 PolarHBondContact O-N 3.33Š| ||
| 316 | A | 40.2 | Very low | 62.3 | Low | 72 Ų | 72 | 88.4 Ų | 88.4 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | trans | -41.8 | 131.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | G314 Q318 | G314-A316 PolarHBondContact O-N 3.24Å; G314-A316 VanDerWaalsContact O-N 3.15Å; A316-Q318 PolarHBondContact O-N 3.49Å | ||
| 317 | S | 40.8 | Very low | 62.7 | Low | 80 Ų | 80 | 87.3 Ų | 87.3 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | trans | -30.5 | 133.1 | -174.6 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | P315 D319 G320 | P315-S317 PolarHBondContact O-N 3.33Å; S317-D319 PolarHBondContact O-N 3.2Å; S317-G320 PolarHBondContact O-N 2.83Å | ||
| 318 | Q | 44.4 | Very low | 63.1 | Low | 204 Ų | 204 | 84.7 Ų | 84.7 | 95% | 0.953 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -13 | 172.6 | -77.8 | -176.6 | -21.8 | 0 | 0 | 113.5 | A316 G320 | A316-Q318 PolarHBondContact O-N 3.49Å; Q318-G320 PolarHBondContact O-N 2.87Å |
| 319 | D | 46.1 | Very low | 63.5 | Low | 158 Ų | 158 | 84.3 Ų | 84.3 | 85% | 0.845 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.4 | 171.2 | -66.1 | -35.9 | 0 | 0 | 0 | 114.5 | S317 | S317-D319 PolarHBondContact O-N 3.2Š|
| 320 | G | 52.2 | Low | 64.1 | Low | 25 Ų | 25 | 76.6 Ų | 76.6 | 26% | 0.258 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -69.5 | 152.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S317 Q318 D322 | S317-G320 PolarHBondContact O-N 2.83Å; Q318-G320 PolarHBondContact O-N 2.87Å; G320-D322 PolarHBondContact O-N 3.38Å |
| 321 | P | 60.8 | Low | 65.2 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 25% | 0.253 | 43% | 0.427 | S | S | . | . | trans | -57.2 | 136 | -178 | 25.4 | -35.9 | 0 | 0 | 0 | 111.7 | V323 L354 P355 | P321-V323 WeakPolarHBondContact O-CG2 3.44Å; P321-V323 PolarHBondContact O-N 2.92Å; P321-L354 HydrophobicContact CB-CD2 3.77Å; P321-L354 HydrophobicContact CG-CD2 3.99Å; P321-P355 HydrophobicContact CB-CG 4.15Å; P321-P355 HydrophobicContact CG-CG 3.73Å | ||
| 322 | D | 76.7 | Confident | 66.7 | Low | 98 Ų | 98 | 65.7 Ų | 65.7 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | trans | -67.9 | 94.4 | -177.4 | -169.4 | -11 | 0 | 0 | 0 | 111 | G320 Q324 Q325 A326 | G320-D322 PolarHBondContact O-N 3.38Å; D322-Q324 VanDerWaalsContact C-N 3.25Å; D322-Q324 PolarHBondContact O-N 2.93Å; D322-Q324 PolarHBondContact OD1-N 3.19Å; D322-Q325 HydrophobicContact CB-CB 3.99Å; D322-Q325 WeakPolarHBondContact O-CB 3.34Å; D322-Q325 PolarHBondContact O-N 3.35Å; D322-Q325 PolarHBondContact OD1-N 3.48Å; D322-A326 PolarHBondContact O-N 3.11Å | ||
| 323 | V | 84.1 | Confident | 68.4 | Low | 20 Ų | 20 | 62.1 Ų | 62.1 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | -176.5 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | P321 Q325 A326 V327 L354 R363 | P321-V323 WeakPolarHBondContact O-CG2 3.44Å; P321-V323 PolarHBondContact O-N 2.92Å; V323-Q325 VanDerWaalsContact C-N 3.33Å; V323-Q325 PolarHBondContact O-N 2.8Å; V323-A326 WeakPolarHBondContact O-CB 3.4Å; V323-A326 PolarHBondContact O-N 3.45Å; V323-V327 HydrophobicContact CG1-CG2 4.35Å; V323-V327 WeakPolarHBondContact O-CG2 3.23Å; V323-V327 PolarHBondContact O-N 3.1Å; V323-L354 HydrophobicContact CG1-CD1 4.27Å; V323-L354 HydrophobicContact CG2-CD1 4.24Å; V323-L354 HydrophobicContact CG2-CD2 4.41Å; V323-R363 WeakPolarHBondContact CG1-O 3.34Å; V323-R363 HydrophobicContact CG2-CB 4.16Å |
| 324 | Q | 85.8 | Confident | 70.6 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 179.3 | -73 | -59 | -28.1 | 0 | 0 | 111.3 | D322 A326 T328 E370 | D322-Q324 VanDerWaalsContact C-N 3.25Å; D322-Q324 PolarHBondContact O-N 2.93Å; D322-Q324 PolarHBondContact OD1-N 3.19Å; Q324-A326 VanDerWaalsContact C-N 3.33Å; Q324-T328 WeakPolarHBondContact O-CB 3.48Å; Q324-T328 PolarHBondContact O-N 2.9Å; Q324-T328 PolarHBondContact O-OG1 3.14Å; Q324-E370 PolarHBondContact NE2-OE2 3.33Å |
| 325 | Q | 87.1 | Confident | 72.9 | Confident | 109 Ų | 109 | 54.9 Ų | 54.9 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.9 | -163.9 | -178.1 | 21.9 | 0 | 0 | 111.3 | D322 V323 T328 Q329 | D322-Q325 HydrophobicContact CB-CB 3.99Å; D322-Q325 WeakPolarHBondContact O-CB 3.34Å; D322-Q325 PolarHBondContact O-N 3.35Å; D322-Q325 PolarHBondContact OD1-N 3.48Å; V323-Q325 VanDerWaalsContact C-N 3.33Å; V323-Q325 PolarHBondContact O-N 2.8Å; Q325-T328 PolarHBondContact O-N 3.41Å; Q325-Q329 WeakPolarHBondContact O-CB 3.25Å; Q325-Q329 VanDerWaalsContact O-CG 3.31Å; Q325-Q329 WeakPolarHBondContact O-CG 3.29Å; Q325-Q329 PolarHBondContact O-N 3.47Å |
| 326 | A | 87.6 | Confident | 74.7 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D322 V323 Q324 T328 Q329 A330 T350 I353 L354 | D322-A326 PolarHBondContact O-N 3.11Å; V323-A326 WeakPolarHBondContact O-CB 3.4Å; V323-A326 PolarHBondContact O-N 3.45Å; Q324-A326 VanDerWaalsContact C-N 3.33Å; A326-T328 VanDerWaalsContact C-N 3.34Å; A326-T328 PolarHBondContact O-N 3.14Å; A326-Q329 PolarHBondContact O-N 2.91Å; A326-A330 WeakPolarHBondContact O-CB 3.15Å; A326-A330 PolarHBondContact O-N 2.73Å; A326-T350 HydrophobicContact CB-CG2 4.23Å; A326-I353 HydrophobicContact CB-CB 4.26Å; A326-I353 HydrophobicContact CB-CG2 3.83Å; A326-I353 WeakPolarHBondContact O-CD1 3.48Å; A326-L354 HydrophobicContact CB-CD1 4.26Å; A326-L354 HydrophobicContact CB-CD2 3.73Å; A326-L354 HydrophobicContact CB-CG 3.78Å |
| 327 | V | 91 | Very high | 76.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | V323 Q329 A330 I331 T350 I368 A371 | V323-V327 HydrophobicContact CG1-CG2 4.35Å; V323-V327 WeakPolarHBondContact O-CG2 3.23Å; V323-V327 PolarHBondContact O-N 3.1Å; V327-Q329 PolarHBondContact O-N 3.07Å; V327-A330 WeakPolarHBondContact O-CB 3.29Å; V327-A330 PolarHBondContact O-N 2.77Å; V327-I331 HydrophobicContact CG1-CD1 3.82Å; V327-I331 HydrophobicContact CG1-CG1 4.37Å; V327-I331 WeakPolarHBondContact O-CG1 3.14Å; V327-I331 PolarHBondContact O-N 3.11Å; V327-T350 HydrophobicContact CG2-CG2 3.58Å; V327-I368 HydrophobicContact CG1-CG1 4.33Å; V327-I368 HydrophobicContact CG2-CG1 4.32Å; V327-A371 HydrophobicContact CG1-CB 3.82Å |
| 328 | T | 90.8 | Very high | 77.8 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.7 | -67 | 0 | 0 | 0 | 0 | 112.2 | Q324 Q325 A326 A330 I331 A332 Q376 | Q324-T328 WeakPolarHBondContact O-CB 3.48Å; Q324-T328 PolarHBondContact O-N 2.9Å; Q324-T328 PolarHBondContact O-OG1 3.14Å; Q325-T328 PolarHBondContact O-N 3.41Å; A326-T328 VanDerWaalsContact C-N 3.34Å; A326-T328 PolarHBondContact O-N 3.14Å; T328-A330 VanDerWaalsContact C-N 3.33Å; T328-I331 PolarHBondContact O-N 3.39Å; T328-A332 WeakPolarHBondContact O-CB 3.42Å; T328-A332 PolarHBondContact O-N 3Å; T328-Q376 PolarHBondContact OG1-NE2 3.26Å; T328-Q376 PolarHBondContact OG1-OE1 3.04Å |
| 329 | Q | 87.4 | Confident | 79.4 | Confident | 88 Ų | 88 | 45.6 Ų | 45.6 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.8 | -74.2 | 177.5 | 11.4 | 0 | 0 | 111.7 | Q325 A326 V327 A332 G333 I353 | Q325-Q329 WeakPolarHBondContact O-CB 3.25Å; Q325-Q329 VanDerWaalsContact O-CG 3.31Å; Q325-Q329 WeakPolarHBondContact O-CG 3.29Å; Q325-Q329 PolarHBondContact O-N 3.47Å; A326-Q329 PolarHBondContact O-N 2.91Å; V327-Q329 PolarHBondContact O-N 3.07Å; Q329-A332 PolarHBondContact O-N 3.23Å; Q329-G333 PolarHBondContact O-N 3.43Å; Q329-I353 HydrophobicContact CB-CD1 3.89Å |
| 330 | A | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A326 V327 T328 A332 G333 L334 R349 T350 I353 | A326-A330 WeakPolarHBondContact O-CB 3.15Å; A326-A330 PolarHBondContact O-N 2.73Å; V327-A330 WeakPolarHBondContact O-CB 3.29Å; V327-A330 PolarHBondContact O-N 2.77Å; T328-A330 VanDerWaalsContact C-N 3.33Å; A330-A332 PolarHBondContact O-N 3.04Å; A330-G333 PolarHBondContact O-N 3.02Å; A330-L334 WeakPolarHBondContact O-CB 3.29Å; A330-L334 VanDerWaalsContact O-CG 3.31Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 2.88Å; A330-R349 HydrophobicContact CB-CB 4.03Å; A330-R349 HydrophobicContact CB-CG 3.87Å; A330-T350 WeakPolarHBondContact CB-OG1 3.46Å; A330-I353 HydrophobicContact CB-CD1 4.04Å |
| 331 | I | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 177 | -64.1 | 168.9 | 0 | 0 | 0 | 110.1 | V327 T328 G333 L334 S335 V346 A371 Q376 L377 | V327-I331 HydrophobicContact CG1-CD1 3.82Å; V327-I331 HydrophobicContact CG1-CG1 4.37Å; V327-I331 WeakPolarHBondContact O-CG1 3.14Å; V327-I331 PolarHBondContact O-N 3.11Å; T328-I331 PolarHBondContact O-N 3.39Å; I331-G333 VanDerWaalsContact C-N 3.31Å; I331-G333 PolarHBondContact O-N 2.68Å; I331-L334 PolarHBondContact O-N 2.78Å; I331-S335 VanDerWaalsContact O-CB 3.24Å; I331-S335 WeakPolarHBondContact O-CB 3.32Å; I331-S335 PolarHBondContact O-N 2.78Å; I331-S335 PolarHBondContact O-OG 3.32Å; I331-V346 HydrophobicContact CG1-CG1 4.21Å; I331-A371 HydrophobicContact CD1-CB 3.98Å; I331-Q376 HydrophobicContact CD1-CG 4.06Å; I331-L377 HydrophobicContact CD1-CB 4.12Å; I331-L377 HydrophobicContact CD1-CD1 4.22Å; I331-L377 HydrophobicContact CG1-CD1 4.2Å |
| 332 | A | 87.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -32.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T328 Q329 A330 S335 I391 | T328-A332 WeakPolarHBondContact O-CB 3.42Å; T328-A332 PolarHBondContact O-N 3Å; Q329-A332 PolarHBondContact O-N 3.23Å; A330-A332 PolarHBondContact O-N 3.04Å; A332-S335 WeakPolarHBondContact CA-OG 3.35Å; A332-S335 PolarHBondContact O-OG 2.99Å; A332-S335 VanDerWaalsContact O-OG 3.05Å; A332-I391 HydrophobicContact CB-CD1 3.92Å |
| 333 | G | 83.2 | Confident | 83.8 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.8 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q329 A330 I331 R649 | Q329-G333 PolarHBondContact O-N 3.43Å; A330-G333 PolarHBondContact O-N 3.02Å; I331-G333 VanDerWaalsContact C-N 3.31Å; I331-G333 PolarHBondContact O-N 2.68Å; G333-R649 VanDerWaalsContact CA-CD 3.5Å |
| 334 | L | 83.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 173.9 | -71.2 | 168.4 | 0 | 0 | 0 | 110.7 | A330 I331 E336 R337 K338 F341 D345 V346 R349 | A330-L334 WeakPolarHBondContact O-CB 3.29Å; A330-L334 VanDerWaalsContact O-CG 3.31Å; A330-L334 WeakPolarHBondContact O-CG 3.49Å; A330-L334 PolarHBondContact O-N 2.88Å; I331-L334 PolarHBondContact O-N 2.78Å; L334-E336 PolarHBondContact O-N 3.21Å; L334-R337 PolarHBondContact O-N 3.44Å; L334-R337 VanDerWaalsContact O-N 3.07Å; L334-K338 PolarHBondContact O-N 2.84Å; L334-F341 HydrophobicContact CB-CD1 3.56Å; L334-F341 HydrophobicContact CB-CE1 3.56Å; L334-F341 HydrophobicContact CB-CG 4.07Å; L334-F341 HydrophobicContact CB-CZ 4.13Å; L334-F341 HydrophobicContact CD1-CB 4.41Å; L334-F341 HydrophobicContact CD1-CG 4.35Å; L334-F341 HydrophobicContact CG-CD1 4.43Å; L334-F341 VanDerWaalsContact O-CE1 3.29Å; L334-F341 WeakPolarHBondContact O-CE1 3.42Å; L334-D345 HydrophobicContact CD1-CB 4.17Å; L334-D345 HydrophobicContact CD2-CB 4.3Å; L334-V346 HydrophobicContact CD1-CB 4.42Å; L334-V346 HydrophobicContact CD1-CG2 3.93Å; L334-R349 HydrophobicContact CD1-CB 4.49Å |
| 335 | S | 84.2 | Confident | 83.7 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 2.3 | -177.7 | 77.2 | 0 | 0 | 0 | 0 | 115.8 | I331 A332 S389 H392 | I331-S335 VanDerWaalsContact O-CB 3.24Å; I331-S335 WeakPolarHBondContact O-CB 3.32Å; I331-S335 PolarHBondContact O-N 2.78Å; I331-S335 PolarHBondContact O-OG 3.32Å; A332-S335 WeakPolarHBondContact CA-OG 3.35Å; A332-S335 PolarHBondContact O-OG 2.99Å; A332-S335 VanDerWaalsContact O-OG 3.05Å; S335-S389 WeakPolarHBondContact CB-OG 3.12Å; S335-H392 PolarHBondContact O-CE1 2.87Å; S335-H392 PolarHBondContact O-ND1 3.38Å |
| 336 | E | 76 | Confident | 83.8 | Confident | 52 Ų | 52 | 28.5 Ų | 28.5 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -25.5 | 169.3 | -70.7 | -172.6 | 155.6 | 0 | 0 | 112.1 | L334 K523 T550 R649 | L334-E336 PolarHBondContact O-N 3.21Å; E336-K523 IonicContact OE1-NZ 2.7Å; E336-K523 PolarHBondContact OE1-NZ 2.86Å; E336-T550 PolarHBondContact O-OG1 3.29Å; E336-R649 IonicContact OE1-CZ 3.31Å; E336-R649 VanDerWaalsContact OE1-CZ 3.27Å; E336-R649 IonicContact OE1-NH1 2.99Å; E336-R649 PolarHBondContact OE1-NH1 2.57Å; E336-R649 IonicContact OE1-NH2 2.77Å; E336-R649 IonicContact OE2-CZ 3.14Å; E336-R649 IonicContact OE2-NH1 2.81Å; E336-R649 PolarHBondContact OE2-NH1 3.44Å |
| 337 | R | 73.1 | Confident | 83.8 | Confident | 106 Ų | 106 | 28.5 Ų | 28.5 | 40% | 0.4 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -30.5 | -172.6 | -59.9 | -174.5 | -175.2 | -165.9 | -0.5 | 113.1 | L334 T550 D647 S650 | L334-R337 PolarHBondContact O-N 3.44Å; L334-R337 VanDerWaalsContact O-N 3.07Å; R337-T550 VanDerWaalsContact O-CG2 3.26Å; R337-T550 WeakPolarHBondContact O-CG2 3.28Å; R337-D647 IonicContact CZ-OD2 2.68Å; R337-D647 VanDerWaalsContact CZ-OD2 3.29Å; R337-D647 IonicContact NE-OD2 3.55Å; R337-D647 PolarHBondContact NE-OD2 2.88Å; R337-D647 VanDerWaalsContact NE-OD2 3.08Å; R337-D647 IonicContact NH2-OD2 2.66Å; R337-D647 PolarHBondContact NH2-OD2 3.45Å; R337-S650 PolarHBondContact NH2-OG 3.49Å |
| 338 | K | 73.8 | Confident | 83.4 | Confident | 92 Ų | 92 | 29.5 Ų | 29.5 | 40% | 0.4 | 15% | 0.148 | S | C | . | . | trans | -126.2 | 150.2 | -179 | -67 | -174.1 | -173.9 | -175.1 | 0 | 109.5 | L334 F341 D345 H392 | L334-K338 PolarHBondContact O-N 2.84Å; K338-F341 VanDerWaalsContact C-CE1 3.48Å; K338-F341 HydrophobicContact CB-CD1 3.56Å; K338-F341 HydrophobicContact CB-CE1 3.48Å; K338-F341 VanDerWaalsContact CB-CE1 3.48Å; K338-F341 HydrophobicContact CD-CD1 4.29Å; K338-F341 WeakPolarHBondContact O-CE1 3.37Å; K338-F341 WeakPolarHBondContact O-CZ 3.44Å; K338-D345 IonicContact NZ-OD1 3.72Å; K338-D345 IonicContact NZ-OD2 3.44Å; K338-D345 PolarHBondContact NZ-OD2 3.39Å; K338-H392 PolarHBondContact O-CE1 3.34Å | ||
| 339 | V | 77.2 | Confident | 83.2 | Confident | 39 Ų | 39 | 29.1 Ų | 29.1 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -92.9 | -31.2 | 172.9 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | T388 V843 | V339-T388 WeakPolarHBondContact O-CB 3.39Å; V339-T388 PolarHBondContact O-OG1 2.81Å; V339-V843 HydrophobicContact CG1-CB 4.35Å; V339-V843 HydrophobicContact CG1-CG1 3.3Å; V339-V843 HydrophobicContact CG1-CG2 4.11Å |
| 340 | Q | 79 | Confident | 83.2 | Confident | 71 Ų | 71 | 25 Ų | 25 | 33% | 0.332 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.4 | 178.6 | -58.8 | 177.2 | -11.5 | 0 | 0 | 109.3 | L380 L386 F387 | Q340-L380 HydrophobicContact CB-CD1 4.39Å; Q340-L380 HydrophobicContact CG-CD1 3.76Å; Q340-L386 HydrophobicContact CB-CD1 4.16Å; Q340-L386 HydrophobicContact CB-CG 4.38Å; Q340-F387 CarbonylContact C-O 3.54Å; Q340-F387 WeakPolarHBondContact CA-O 3.47Å |
| 341 | F | 82 | Confident | 83 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.2 | -178.8 | -28.1 | -70.5 | 0 | 0 | 0 | 109.7 | L334 K338 D345 V346 L377 L386 F387 | L334-F341 HydrophobicContact CB-CD1 3.56Å; L334-F341 HydrophobicContact CB-CE1 3.56Å; L334-F341 HydrophobicContact CB-CG 4.07Å; L334-F341 HydrophobicContact CB-CZ 4.13Å; L334-F341 HydrophobicContact CD1-CB 4.41Å; L334-F341 HydrophobicContact CD1-CG 4.35Å; L334-F341 HydrophobicContact CG-CD1 4.43Å; L334-F341 VanDerWaalsContact O-CE1 3.29Å; L334-F341 WeakPolarHBondContact O-CE1 3.42Å; K338-F341 VanDerWaalsContact C-CE1 3.48Å; K338-F341 HydrophobicContact CB-CD1 3.56Å; K338-F341 HydrophobicContact CB-CE1 3.48Å; K338-F341 VanDerWaalsContact CB-CE1 3.48Å; K338-F341 HydrophobicContact CD-CD1 4.29Å; K338-F341 WeakPolarHBondContact O-CE1 3.37Å; K338-F341 WeakPolarHBondContact O-CZ 3.44Å; F341-D345 HydrophobicContact CB-CB 4.18Å; F341-V346 HydrophobicContact CB-CG2 4.23Å; F341-L377 HydrophobicContact CD2-CD1 4.42Å; F341-L386 WeakPolarHBondContact O-CA 3.22Å; F341-F387 PolarHBondContact N-O 3.41Å; F341-F387 PolarHBondContact O-N 2.97Å |
| 342 | T | 82.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 10% | 0.104 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 160.7 | 169.8 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | T344 D345 V346 G385 A1333 E1334 | T342-T344 PolarHBondContact O-N 2.88Å; T342-D345 PolarHBondContact N-OD2 2.97Å; T342-D345 WeakPolarHBondContact O-CB 3.26Å; T342-D345 PolarHBondContact O-N 2.83Å; T342-D345 VanDerWaalsContact O-N 3.14Å; T342-D345 PolarHBondContact OG1-N 2.94Å; T342-D345 VanDerWaalsContact OG1-N 3.09Å; T342-V346 PolarHBondContact O-N 3.1Å; T342-G385 VanDerWaalsContact CA-O 3.28Å; T342-G385 WeakPolarHBondContact CA-O 3.31Å; T342-A1333 HydrophobicContact CG2-CB 4.33Å; T342-E1334 HydrophobicContact CG2-CG 4.19Å; T342-E1334 PolarHBondContact OG1-OE1 2.7Å |
| 343 | Y | 86 | Confident | 82.2 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.3 | -44.5 | 170.2 | -169.4 | -96.4 | 0 | 0 | 0 | 111.3 | D345 V346 L347 R365 I368 G385 F387 E1330 | Y343-D345 PolarHBondContact O-N 2.8Å; Y343-V346 PolarHBondContact O-N 3.46Å; Y343-L347 HydrophobicContact CD1-CB 4.48Å; Y343-L347 HydrophobicContact CE1-CB 4.39Å; Y343-L347 HydrophobicContact CE1-CD2 4.1Å; Y343-L347 WeakPolarHBondContact O-CB 3.32Å; Y343-L347 PolarHBondContact O-N 3.09Å; Y343-R365 WeakPolarHBondContact OH-CA 3.4Å; Y343-R365 WeakPolarHBondContact OH-CB 3.34Å; Y343-R365 WeakPolarHBondContact OH-CG 3.33Å; Y343-I368 HydrophobicContact CD2-CG2 4.07Å; Y343-I368 HydrophobicContact CE1-CD1 4.42Å; Y343-I368 HydrophobicContact CE2-CB 4.15Å; Y343-I368 HydrophobicContact CE2-CD1 4.18Å; Y343-I368 HydrophobicContact CE2-CG2 3.5Å; Y343-I368 VanDerWaalsContact CE2-CG2 3.5Å; Y343-G385 PolarHBondContact N-O 2.88Å; Y343-F387 AromaticContact CD2-CE2 3.84Å; Y343-F387 HydrophobicContact CD2-CE2 3.84Å; Y343-F387 AromaticContact CD2-CZ 3.98Å; Y343-F387 HydrophobicContact CD2-CZ 3.98Å; Y343-F387 HydrophobicContact CG-CE2 4.36Å; Y343-E1330 HydrophobicContact CD1-CB 3.6Å; Y343-E1330 HydrophobicContact CD1-CG 3.85Å; Y343-E1330 WeakPolarHBondContact CD1-OE2 3.36Å; Y343-E1330 HydrophobicContact CE1-CB 4.28Å; Y343-E1330 HydrophobicContact CE1-CG 4.01Å; Y343-E1330 VanDerWaalsContact CE1-OE2 3.23Å; Y343-E1330 WeakPolarHBondContact CE1-OE2 3.28Å; Y343-E1330 HydrophobicContact CG-CB 3.75Å; Y343-E1330 HydrophobicContact CG-CG 4.13Å |
| 344 | T | 83.6 | Confident | 82 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | T342 V346 L347 A348 L1325 I1326 E1334 | T342-T344 PolarHBondContact O-N 2.88Å; T344-V346 VanDerWaalsContact C-N 3.31Å; T344-V346 PolarHBondContact O-N 2.95Å; T344-L347 PolarHBondContact O-N 2.82Å; T344-A348 WeakPolarHBondContact O-CB 3.27Å; T344-A348 PolarHBondContact O-N 3.48Å; T344-L1325 WeakPolarHBondContact CG2-O 3.35Å; T344-I1326 HydrophobicContact CG2-CG1 4.33Å; T344-E1334 VanDerWaalsContact CB-OE1 3.26Å; T344-E1334 WeakPolarHBondContact CB-OE1 3.42Å; T344-E1334 WeakPolarHBondContact CG2-OE1 3.3Å |
| 345 | D | 83.2 | Confident | 81.5 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 177.7 | -79.5 | -25.8 | 0 | 0 | 0 | 111.1 | L334 K338 F341 T342 Y343 R349 | L334-D345 HydrophobicContact CD1-CB 4.17Å; L334-D345 HydrophobicContact CD2-CB 4.3Å; K338-D345 IonicContact NZ-OD1 3.72Å; K338-D345 IonicContact NZ-OD2 3.44Å; K338-D345 PolarHBondContact NZ-OD2 3.39Å; F341-D345 HydrophobicContact CB-CB 4.18Å; T342-D345 PolarHBondContact N-OD2 2.97Å; T342-D345 WeakPolarHBondContact O-CB 3.26Å; T342-D345 PolarHBondContact O-N 2.83Å; T342-D345 VanDerWaalsContact O-N 3.14Å; T342-D345 PolarHBondContact OG1-N 2.94Å; T342-D345 VanDerWaalsContact OG1-N 3.09Å; Y343-D345 PolarHBondContact O-N 2.8Å; D345-R349 VanDerWaalsContact O-CB 3.29Å; D345-R349 WeakPolarHBondContact O-CB 3.36Å; D345-R349 PolarHBondContact O-N 3.18Å; D345-R349 VanDerWaalsContact O-N 3.12Å |
| 346 | V | 89.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | I331 L334 F341 T342 Y343 T344 T350 I368 L377 | I331-V346 HydrophobicContact CG1-CG1 4.21Å; L334-V346 HydrophobicContact CD1-CB 4.42Å; L334-V346 HydrophobicContact CD1-CG2 3.93Å; F341-V346 HydrophobicContact CB-CG2 4.23Å; T342-V346 PolarHBondContact O-N 3.1Å; Y343-V346 PolarHBondContact O-N 3.46Å; T344-V346 VanDerWaalsContact C-N 3.31Å; T344-V346 PolarHBondContact O-N 2.95Å; V346-T350 WeakPolarHBondContact O-CB 3.2Å; V346-T350 PolarHBondContact O-N 3.48Å; V346-T350 PolarHBondContact O-OG1 3.3Å; V346-I368 HydrophobicContact CB-CD1 4.39Å; V346-I368 HydrophobicContact CG1-CD1 4.01Å; V346-I368 HydrophobicContact CG1-CG1 3.91Å; V346-L377 HydrophobicContact CG2-CD1 4.38Å; V346-L377 HydrophobicContact CG2-CD2 4.43Å |
| 347 | L | 87.7 | Confident | 80.7 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -50.6 | 179.7 | -175 | 66.2 | 0 | 0 | 0 | 111.6 | Y343 T344 R349 T350 V351 A364 R365 I368 L1313 | Y343-L347 HydrophobicContact CD1-CB 4.48Å; Y343-L347 HydrophobicContact CE1-CB 4.39Å; Y343-L347 HydrophobicContact CE1-CD2 4.1Å; Y343-L347 WeakPolarHBondContact O-CB 3.32Å; Y343-L347 PolarHBondContact O-N 3.09Å; T344-L347 PolarHBondContact O-N 2.82Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 2.97Å; L347-T350 PolarHBondContact O-N 3.06Å; L347-V351 HydrophobicContact CD1-CG2 4.38Å; L347-V351 WeakPolarHBondContact O-CG2 3.24Å; L347-V351 PolarHBondContact O-N 3.4Å; L347-A364 HydrophobicContact CD1-CB 3.9Å; L347-R365 HydrophobicContact CD1-CG 4.29Å; L347-I368 HydrophobicContact CB-CD1 3.95Å; L347-I368 HydrophobicContact CD1-CD1 3.9Å; L347-L1313 HydrophobicContact CD2-CD1 4.47Å; L347-L1313 HydrophobicContact CD2-CD2 3.76Å |
| 348 | A | 83 | Confident | 80.4 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T344 V351 G352 L1325 | T344-A348 WeakPolarHBondContact O-CB 3.27Å; T344-A348 PolarHBondContact O-N 3.48Å; A348-V351 PolarHBondContact O-N 3.4Å; A348-G352 PolarHBondContact O-N 3.22Å; A348-L1325 HydrophobicContact CB-CB 4.32Å; A348-L1325 HydrophobicContact CB-CD1 4.37Å |
| 349 | R | 85.5 | Confident | 80.4 | Confident | 44 Ų | 44 | 33.2 Ų | 33.2 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.8 | -34.4 | 179 | -170.6 | 137.8 | -80.9 | -158 | -8.4 | 112.8 | A330 L334 D345 L347 G352 I353 L653 | A330-R349 HydrophobicContact CB-CB 4.03Å; A330-R349 HydrophobicContact CB-CG 3.87Å; L334-R349 HydrophobicContact CD1-CB 4.49Å; D345-R349 VanDerWaalsContact O-CB 3.29Å; D345-R349 WeakPolarHBondContact O-CB 3.36Å; D345-R349 PolarHBondContact O-N 3.18Å; D345-R349 VanDerWaalsContact O-N 3.12Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 2.97Å; R349-G352 PolarHBondContact O-N 2.77Å; R349-I353 VanDerWaalsContact O-CG1 3.32Å; R349-I353 WeakPolarHBondContact O-CG1 3.23Å; R349-I353 PolarHBondContact O-N 2.87Å; R349-L653 HydrophobicContact CG-CD1 4.29Å; R349-L653 HydrophobicContact CG-CD2 4.22Å |
| 350 | T | 88.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | 173.7 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | A326 V327 A330 V346 L347 G352 I353 L354 A364 | A326-T350 HydrophobicContact CB-CG2 4.23Å; V327-T350 HydrophobicContact CG2-CG2 3.58Å; A330-T350 WeakPolarHBondContact CB-OG1 3.46Å; V346-T350 WeakPolarHBondContact O-CB 3.2Å; V346-T350 PolarHBondContact O-N 3.48Å; V346-T350 PolarHBondContact O-OG1 3.3Å; L347-T350 PolarHBondContact O-N 3.06Å; T350-G352 VanDerWaalsContact C-N 3.26Å; T350-G352 PolarHBondContact O-N 3.43Å; T350-I353 PolarHBondContact O-N 2.87Å; T350-I353 VanDerWaalsContact O-N 3.1Å; T350-L354 HydrophobicContact CG2-CD1 3.9Å; T350-L354 PolarHBondContact O-N 2.83Å; T350-A364 HydrophobicContact CG2-CB 3.91Å |
| 351 | V | 83.1 | Confident | 80.8 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -31.7 | 176 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | L347 A348 I353 L354 I361 | L347-V351 HydrophobicContact CD1-CG2 4.38Å; L347-V351 WeakPolarHBondContact O-CG2 3.24Å; L347-V351 PolarHBondContact O-N 3.4Å; A348-V351 PolarHBondContact O-N 3.4Å; V351-I353 VanDerWaalsContact C-N 3.29Å; V351-I353 PolarHBondContact O-N 3.12Å; V351-L354 VanDerWaalsContact O-O 3.09Å; V351-I361 HydrophobicContact CG2-CG1 4.15Å |
| 352 | G | 79.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.4 | -19.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A348 R349 T350 | A348-G352 PolarHBondContact O-N 3.22Å; R349-G352 PolarHBondContact O-N 2.77Å; T350-G352 VanDerWaalsContact C-N 3.26Å; T350-G352 PolarHBondContact O-N 3.43Å |
| 353 | I | 82.1 | Confident | 80.8 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -88.8 | -39.2 | 174.2 | -65.2 | 164.4 | 0 | 0 | 0 | 110.7 | A326 Q329 A330 R349 T350 V351 L653 | A326-I353 HydrophobicContact CB-CB 4.26Å; A326-I353 HydrophobicContact CB-CG2 3.83Å; A326-I353 WeakPolarHBondContact O-CD1 3.48Å; Q329-I353 HydrophobicContact CB-CD1 3.89Å; A330-I353 HydrophobicContact CB-CD1 4.04Å; R349-I353 VanDerWaalsContact O-CG1 3.32Å; R349-I353 WeakPolarHBondContact O-CG1 3.23Å; R349-I353 PolarHBondContact O-N 2.87Å; T350-I353 PolarHBondContact O-N 2.87Å; T350-I353 VanDerWaalsContact O-N 3.1Å; V351-I353 VanDerWaalsContact C-N 3.29Å; V351-I353 PolarHBondContact O-N 3.12Å; I353-L653 HydrophobicContact CD1-CD2 4.07Å; I353-L653 HydrophobicContact CG1-CD2 3.33Å |
| 354 | L | 79.9 | Confident | 81 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -77.6 | 145.6 | -176.5 | -69.2 | 169.4 | 0 | 0 | 0 | 112.2 | P321 V323 A326 T350 V351 V360 A364 | P321-L354 HydrophobicContact CB-CD2 3.77Å; P321-L354 HydrophobicContact CG-CD2 3.99Å; V323-L354 HydrophobicContact CG1-CD1 4.27Å; V323-L354 HydrophobicContact CG2-CD1 4.24Å; V323-L354 HydrophobicContact CG2-CD2 4.41Å; A326-L354 HydrophobicContact CB-CD1 4.26Å; A326-L354 HydrophobicContact CB-CD2 3.73Å; A326-L354 HydrophobicContact CB-CG 3.78Å; T350-L354 HydrophobicContact CG2-CD1 3.9Å; T350-L354 PolarHBondContact O-N 2.83Å; V351-L354 VanDerWaalsContact O-O 3.09Å; L354-V360 HydrophobicContact CB-CG1 3.87Å; L354-V360 HydrophobicContact CD1-CG1 3.8Å; L354-V360 HydrophobicContact CG-CG1 4.46Å; L354-A364 HydrophobicContact CD1-CB 4.47Å |
| 355 | P | 73.4 | Confident | 81.2 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | trans | -65.1 | 146.2 | 169.8 | 29 | -33.3 | 0 | 0 | 0 | 109.9 | P321 E357 | P321-P355 HydrophobicContact CB-CG 4.15Å; P321-P355 HydrophobicContact CG-CG 3.73Å; P355-E357 PolarHBondContact O-N 3.47Å; P355-E357 VanDerWaalsContact O-N 3.14Å | ||
| 356 | P | 70.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | trans | -74.1 | 107.8 | 178 | 29.7 | -29.8 | 0 | 0 | 0 | 109.4 | A683 | P356-A683 WeakPolarHBondContact CD-O 3.26Å; P356-A683 HydrophobicContact CG-CB 4.12Å; P356-A683 WeakPolarHBondContact CG-O 3.48Å | ||
| 357 | E | 71.5 | Confident | 81.4 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | trans | -130.2 | 158.3 | 170.7 | -51.6 | 172.1 | 163.8 | 0 | 0 | 109 | P355 G359 V360 R363 | P355-E357 PolarHBondContact O-N 3.47Å; P355-E357 VanDerWaalsContact O-N 3.14Å; E357-G359 PolarHBondContact O-N 3.03Å; E357-V360 HydrophobicContact CB-CG2 3.64Å; E357-V360 HydrophobicContact CG-CG2 4.32Å; E357-V360 WeakPolarHBondContact O-CB 3.36Å; E357-V360 VanDerWaalsContact O-CG2 3.24Å; E357-V360 WeakPolarHBondContact O-CG2 3.25Å; E357-V360 PolarHBondContact O-N 2.85Å; E357-R363 IonicContact OE2-CZ 2.82Å; E357-R363 IonicContact OE2-NH1 2.7Å; E357-R363 IonicContact OE2-NH2 3.17Å; E357-R363 PolarHBondContact OE2-NH2 2.94Å | ||
| 358 | N | 67.1 | Low | 81.5 | Confident | 168 Ų | 168 | 38.8 Ų | 38.8 | 90% | 0.898 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 137.1 | 174.6 | -78.7 | -7.1 | 0 | 0 | 0 | 110.8 | V360 | N358-V360 VanDerWaalsContact C-N 3.26Å; N358-V360 PolarHBondContact O-N 2.79Å |
| 359 | G | 74 | Confident | 81.8 | Confident | 38 Ų | 38 | 41 Ų | 41 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E357 I361 R363 | E357-G359 PolarHBondContact O-N 3.03Å; G359-I361 VanDerWaalsContact C-N 3.26Å; G359-I361 PolarHBondContact O-N 3.36Å; G359-R363 WeakPolarHBondContact O-CG 3.44Å; G359-R363 PolarHBondContact O-N 3.23Å |
| 360 | V | 81.8 | Confident | 82.1 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 175.1 | 165.1 | 0 | 0 | 0 | 0 | 112 | L354 E357 N358 R363 A364 | L354-V360 HydrophobicContact CB-CG1 3.87Å; L354-V360 HydrophobicContact CD1-CG1 3.8Å; L354-V360 HydrophobicContact CG-CG1 4.46Å; E357-V360 HydrophobicContact CB-CG2 3.64Å; E357-V360 HydrophobicContact CG-CG2 4.32Å; E357-V360 WeakPolarHBondContact O-CB 3.36Å; E357-V360 VanDerWaalsContact O-CG2 3.24Å; E357-V360 WeakPolarHBondContact O-CG2 3.25Å; E357-V360 PolarHBondContact O-N 2.85Å; N358-V360 VanDerWaalsContact C-N 3.26Å; N358-V360 PolarHBondContact O-N 2.79Å; V360-R363 VanDerWaalsContact CG2-NH2 3.32Å; V360-R363 PolarHBondContact O-N 3.13Å; V360-A364 WeakPolarHBondContact O-CB 3.31Å; V360-A364 PolarHBondContact O-N 2.9Å |
| 361 | I | 82.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | -177 | -69.7 | 148.6 | 0 | 0 | 0 | 111 | V351 G359 R363 A364 R365 D1311 L1313 | V351-I361 HydrophobicContact CG2-CG1 4.15Å; G359-I361 VanDerWaalsContact C-N 3.26Å; G359-I361 PolarHBondContact O-N 3.36Å; I361-R363 VanDerWaalsContact C-N 3.35Å; I361-R363 PolarHBondContact O-N 2.89Å; I361-A364 CarbonylContact O-C 3.53Å; I361-A364 WeakPolarHBondContact O-CB 3.4Å; I361-A364 PolarHBondContact O-N 3.34Å; I361-A364 VanDerWaalsContact O-N 3.1Å; I361-R365 WeakPolarHBondContact O-CG 3.23Å; I361-R365 PolarHBondContact O-N 3.38Å; I361-D1311 HydrophobicContact CB-CB 4.28Å; I361-D1311 HydrophobicContact CD1-CB 3.71Å; I361-D1311 HydrophobicContact CG2-CB 4.06Å; I361-L1313 HydrophobicContact CB-CD1 4.41Å; I361-L1313 HydrophobicContact CD1-CD1 3.7Å; I361-L1313 HydrophobicContact CG1-CD1 3.86Å; I361-L1313 HydrophobicContact CG2-CD1 3.69Å; I361-L1313 HydrophobicContact CG2-CG 4.33Å |
| 362 | E | 80.6 | Confident | 82.6 | Confident | 97 Ų | 97 | 41.6 Ų | 41.6 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.9 | -78 | -53.5 | 129.7 | 0 | 0 | 112.3 | A364 R365 A366 | E362-A364 VanDerWaalsContact C-N 3.29Å; E362-A364 PolarHBondContact O-N 2.92Å; E362-R365 PolarHBondContact O-N 2.85Å; E362-R365 VanDerWaalsContact OE1-CD 3.31Å; E362-R365 WeakPolarHBondContact OE1-CD 3.41Å; E362-R365 IonicContact OE1-NE 3.27Å; E362-R365 PolarHBondContact OE1-NE 2.9Å; E362-A366 PolarHBondContact O-N 3.04Å |
| 363 | R | 84.6 | Confident | 83 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 171.9 | -70.7 | -172.1 | -75 | 167 | -6.7 | 111.7 | V323 E357 G359 V360 I361 A366 G367 | V323-R363 WeakPolarHBondContact CG1-O 3.34Å; V323-R363 HydrophobicContact CG2-CB 4.16Å; E357-R363 IonicContact OE2-CZ 2.82Å; E357-R363 IonicContact OE2-NH1 2.7Å; E357-R363 IonicContact OE2-NH2 3.17Å; E357-R363 PolarHBondContact OE2-NH2 2.94Å; G359-R363 WeakPolarHBondContact O-CG 3.44Å; G359-R363 PolarHBondContact O-N 3.23Å; V360-R363 VanDerWaalsContact CG2-NH2 3.32Å; V360-R363 PolarHBondContact O-N 3.13Å; I361-R363 VanDerWaalsContact C-N 3.35Å; I361-R363 PolarHBondContact O-N 2.89Å; R363-A366 PolarHBondContact O-N 3.01Å; R363-G367 PolarHBondContact O-N 3.27Å |
| 364 | A | 88.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L347 T350 L354 V360 I361 E362 G367 I368 | L347-A364 HydrophobicContact CD1-CB 3.9Å; T350-A364 HydrophobicContact CG2-CB 3.91Å; L354-A364 HydrophobicContact CD1-CB 4.47Å; V360-A364 WeakPolarHBondContact O-CB 3.31Å; V360-A364 PolarHBondContact O-N 2.9Å; I361-A364 CarbonylContact O-C 3.53Å; I361-A364 WeakPolarHBondContact O-CB 3.4Å; I361-A364 PolarHBondContact O-N 3.34Å; I361-A364 VanDerWaalsContact O-N 3.1Å; E362-A364 VanDerWaalsContact C-N 3.29Å; E362-A364 PolarHBondContact O-N 2.92Å; A364-G367 WeakPolarHBondContact O-CA 3.48Å; A364-G367 PolarHBondContact O-N 2.9Å; A364-I368 WeakPolarHBondContact O-CG1 3.38Å; A364-I368 PolarHBondContact O-N 2.99Å |
| 365 | R | 87.7 | Confident | 83.9 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 173 | -69.1 | -179.2 | -174.8 | -110.1 | -3.7 | 111 | Y343 L347 I361 E362 G367 I368 D369 D1311 G1312 S1327 E1330 | Y343-R365 WeakPolarHBondContact OH-CA 3.4Å; Y343-R365 WeakPolarHBondContact OH-CB 3.34Å; Y343-R365 WeakPolarHBondContact OH-CG 3.33Å; L347-R365 HydrophobicContact CD1-CG 4.29Å; I361-R365 WeakPolarHBondContact O-CG 3.23Å; I361-R365 PolarHBondContact O-N 3.38Å; E362-R365 PolarHBondContact O-N 2.85Å; E362-R365 VanDerWaalsContact OE1-CD 3.31Å; E362-R365 WeakPolarHBondContact OE1-CD 3.41Å; E362-R365 IonicContact OE1-NE 3.27Å; E362-R365 PolarHBondContact OE1-NE 2.9Å; R365-G367 VanDerWaalsContact C-N 3.26Å; R365-G367 PolarHBondContact O-N 3.32Å; R365-I368 PolarHBondContact O-N 3.11Å; R365-I368 VanDerWaalsContact O-N 3.13Å; R365-D369 PolarHBondContact O-N 3.24Å; R365-D1311 PolarHBondContact NH2-O 2.86Å; R365-G1312 PolarHBondContact NH2-O 2.84Å; R365-S1327 PolarHBondContact NH2-OG 2.78Å; R365-E1330 IonicContact CZ-OE2 3.42Å; R365-E1330 VanDerWaalsContact NH1-CD 3.32Å; R365-E1330 IonicContact NH1-OE1 2.68Å; R365-E1330 PolarHBondContact NH1-OE1 3Å; R365-E1330 IonicContact NH1-OE2 3.02Å; R365-E1330 PolarHBondContact NH1-OE2 2.94Å; R365-E1330 VanDerWaalsContact NH1-OE2 3.07Å |
| 366 | A | 86.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 49% | 0.488 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E362 R363 D369 E370 | E362-A366 PolarHBondContact O-N 3.04Å; R363-A366 PolarHBondContact O-N 3.01Å; A366-D369 PolarHBondContact O-N 3.13Å; A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.85Å |
| 367 | G | 90.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R363 A364 R365 E370 A371 | R363-G367 PolarHBondContact O-N 3.27Å; A364-G367 WeakPolarHBondContact O-CA 3.48Å; A364-G367 PolarHBondContact O-N 2.9Å; R365-G367 VanDerWaalsContact C-N 3.26Å; R365-G367 PolarHBondContact O-N 3.32Å; G367-E370 PolarHBondContact O-N 3.25Å; G367-A371 PolarHBondContact O-N 2.76Å |
| 368 | I | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 175.1 | -64.8 | 165.9 | 0 | 0 | 0 | 110.7 | V327 Y343 V346 L347 A364 R365 E370 A371 I372 L377 | V327-I368 HydrophobicContact CG1-CG1 4.33Å; V327-I368 HydrophobicContact CG2-CG1 4.32Å; Y343-I368 HydrophobicContact CD2-CG2 4.07Å; Y343-I368 HydrophobicContact CE1-CD1 4.42Å; Y343-I368 HydrophobicContact CE2-CB 4.15Å; Y343-I368 HydrophobicContact CE2-CD1 4.18Å; Y343-I368 HydrophobicContact CE2-CG2 3.5Å; Y343-I368 VanDerWaalsContact CE2-CG2 3.5Å; V346-I368 HydrophobicContact CB-CD1 4.39Å; V346-I368 HydrophobicContact CG1-CD1 4.01Å; V346-I368 HydrophobicContact CG1-CG1 3.91Å; L347-I368 HydrophobicContact CB-CD1 3.95Å; L347-I368 HydrophobicContact CD1-CD1 3.9Å; A364-I368 WeakPolarHBondContact O-CG1 3.38Å; A364-I368 PolarHBondContact O-N 2.99Å; R365-I368 PolarHBondContact O-N 3.11Å; R365-I368 VanDerWaalsContact O-N 3.13Å; I368-E370 VanDerWaalsContact C-N 3.27Å; I368-E370 PolarHBondContact O-N 3.11Å; I368-A371 WeakPolarHBondContact O-CB 3.28Å; I368-A371 PolarHBondContact O-N 3.46Å; I368-A371 VanDerWaalsContact O-N 3.11Å; I368-I372 HydrophobicContact CG2-CD1 4.31Å; I368-I372 WeakPolarHBondContact O-CG1 3.34Å; I368-I372 PolarHBondContact O-N 3.48Å; I368-L377 HydrophobicContact CG2-CD2 3.93Å |
| 369 | D | 89.1 | Confident | 87.6 | Confident | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.353 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 175.9 | -87.7 | -8.2 | 0 | 0 | 0 | 111.8 | R365 A366 I372 S373 K384 | R365-D369 PolarHBondContact O-N 3.24Å; A366-D369 PolarHBondContact O-N 3.13Å; D369-I372 WeakPolarHBondContact O-CB 3.4Å; D369-I372 PolarHBondContact O-N 2.69Å; D369-S373 PolarHBondContact O-N 3.45Å; D369-K384 VanDerWaalsContact CG-NZ 3.31Å; D369-K384 IonicContact OD1-NZ 3.23Å; D369-K384 PolarHBondContact OD1-NZ 3.06Å; D369-K384 IonicContact OD2-NZ 3.92Å; D369-K384 PolarHBondContact OD2-NZ 3.36Å |
| 370 | E | 91 | Very high | 87.9 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 34% | 0.341 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.9 | -38.6 | 173.3 | -165.7 | 171.7 | 180 | 0 | 0 | 111.8 | Q324 A366 G367 I368 I372 S373 R374 | Q324-E370 PolarHBondContact NE2-OE2 3.33Å; A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.85Å; G367-E370 PolarHBondContact O-N 3.25Å; I368-E370 VanDerWaalsContact C-N 3.27Å; I368-E370 PolarHBondContact O-N 3.11Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.91Å; E370-S373 WeakPolarHBondContact CA-OG 3.13Å; E370-S373 WeakPolarHBondContact O-CB 3.26Å; E370-S373 PolarHBondContact O-N 3.03Å; E370-S373 VanDerWaalsContact O-N 3.1Å; E370-S373 PolarHBondContact O-OG 3.26Å; E370-R374 WeakPolarHBondContact O-CG 3.41Å; E370-R374 PolarHBondContact O-N 2.82Å; E370-R374 IonicContact OE1-CZ 2.9Å; E370-R374 VanDerWaalsContact OE1-CZ 3.27Å; E370-R374 IonicContact OE1-NE 2.66Å; E370-R374 PolarHBondContact OE1-NE 2.93Å; E370-R374 IonicContact OE1-NH2 2.77Å; E370-R374 PolarHBondContact OE1-NH2 3.34Å |
| 371 | A | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V327 I331 G367 I368 E375 Q376 L377 | V327-A371 HydrophobicContact CG1-CB 3.82Å; I331-A371 HydrophobicContact CD1-CB 3.98Å; G367-A371 PolarHBondContact O-N 2.76Å; I368-A371 WeakPolarHBondContact O-CB 3.28Å; I368-A371 PolarHBondContact O-N 3.46Å; I368-A371 VanDerWaalsContact O-N 3.11Å; A371-E375 PolarHBondContact O-N 2.95Å; A371-Q376 HydrophobicContact CB-CB 4.37Å; A371-Q376 PolarHBondContact O-N 3.5Å; A371-L377 HydrophobicContact CB-CB 4.42Å; A371-L377 PolarHBondContact O-N 3.45Å; A371-L377 VanDerWaalsContact O-N 3.16Å |
| 372 | I | 90.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 170.1 | -65.2 | 166.7 | 0 | 0 | 0 | 110.2 | I368 D369 E370 R374 E375 L377 F387 L867 | I368-I372 HydrophobicContact CG2-CD1 4.31Å; I368-I372 WeakPolarHBondContact O-CG1 3.34Å; I368-I372 PolarHBondContact O-N 3.48Å; D369-I372 WeakPolarHBondContact O-CB 3.4Å; D369-I372 PolarHBondContact O-N 2.69Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.91Å; I372-R374 PolarHBondContact O-N 2.66Å; I372-E375 PolarHBondContact O-N 3.27Å; I372-E375 VanDerWaalsContact O-N 3.08Å; I372-L377 WeakPolarHBondContact CA-O 3.5Å; I372-L377 HydrophobicContact CG1-CB 4.16Å; I372-L377 HydrophobicContact CG1-CD2 4.06Å; I372-L377 HydrophobicContact CG1-CG 4.47Å; I372-F387 HydrophobicContact CD1-CE1 3.6Å; I372-F387 HydrophobicContact CD1-CZ 4.02Å; I372-F387 HydrophobicContact CG1-CE1 4.02Å; I372-L867 HydrophobicContact CG2-CD1 3.63Å |
| 373 | S | 88.2 | Confident | 87.5 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 43% | 0.427 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -31.8 | 178.8 | 84.1 | 0 | 0 | 0 | 0 | 112.8 | D369 E370 K864 | D369-S373 PolarHBondContact O-N 3.45Å; E370-S373 WeakPolarHBondContact CA-OG 3.13Å; E370-S373 WeakPolarHBondContact O-CB 3.26Å; E370-S373 PolarHBondContact O-N 3.03Å; E370-S373 VanDerWaalsContact O-N 3.1Å; E370-S373 PolarHBondContact O-OG 3.26Å; S373-K864 WeakPolarHBondContact O-CE 3.26Å; S373-K864 PolarHBondContact O-NZ 2.78Å |
| 374 | R | 89.9 | Confident | 87.4 | Confident | 153 Ų | 153 | 39.8 Ų | 39.8 | 58% | 0.577 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6 | 178.5 | -63.7 | 176.4 | -177.7 | -160.3 | 2 | 113.9 | E370 I372 Q376 | E370-R374 WeakPolarHBondContact O-CG 3.41Å; E370-R374 PolarHBondContact O-N 2.82Å; E370-R374 IonicContact OE1-CZ 2.9Å; E370-R374 VanDerWaalsContact OE1-CZ 3.27Å; E370-R374 IonicContact OE1-NE 2.66Å; E370-R374 PolarHBondContact OE1-NE 2.93Å; E370-R374 IonicContact OE1-NH2 2.77Å; E370-R374 PolarHBondContact OE1-NH2 3.34Å; I372-R374 PolarHBondContact O-N 2.66Å; R374-Q376 PolarHBondContact O-N 2.98Å; R374-Q376 VanDerWaalsContact O-N 3.09Å |
| 375 | E | 91.2 | Very high | 86.7 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 19.3 | -179.3 | -67.6 | 160.7 | -153.2 | 0 | 0 | 114.2 | A371 I372 L377 I860 K864 | A371-E375 PolarHBondContact O-N 2.95Å; I372-E375 PolarHBondContact O-N 3.27Å; I372-E375 VanDerWaalsContact O-N 3.08Å; E375-L377 VanDerWaalsContact C-N 3.32Å; E375-I860 HydrophobicContact CG-CG2 4.26Å; E375-K864 HydrophobicContact CG-CD 4.05Å; E375-K864 IonicContact OE1-NZ 3.44Å; E375-K864 PolarHBondContact OE1-NZ 3.18Å |
| 376 | Q | 90.9 | Very high | 86.4 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.4 | -33.3 | 170.7 | -168.8 | 175.6 | 10.1 | 0 | 0 | 110.7 | T328 I331 A371 R374 G390 | T328-Q376 PolarHBondContact OG1-NE2 3.26Å; T328-Q376 PolarHBondContact OG1-OE1 3.04Å; I331-Q376 HydrophobicContact CD1-CG 4.06Å; A371-Q376 HydrophobicContact CB-CB 4.37Å; A371-Q376 PolarHBondContact O-N 3.5Å; R374-Q376 PolarHBondContact O-N 2.98Å; R374-Q376 VanDerWaalsContact O-N 3.09Å; Q376-G390 PolarHBondContact O-N 2.82Å |
| 377 | L | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.1 | 171 | -163.5 | 70.4 | 0 | 0 | 0 | 108.6 | I331 F341 V346 I368 A371 I372 E375 F387 | I331-L377 HydrophobicContact CD1-CB 4.12Å; I331-L377 HydrophobicContact CD1-CD1 4.22Å; I331-L377 HydrophobicContact CG1-CD1 4.2Å; F341-L377 HydrophobicContact CD2-CD1 4.42Å; V346-L377 HydrophobicContact CG2-CD1 4.38Å; V346-L377 HydrophobicContact CG2-CD2 4.43Å; I368-L377 HydrophobicContact CG2-CD2 3.93Å; A371-L377 HydrophobicContact CB-CB 4.42Å; A371-L377 PolarHBondContact O-N 3.45Å; A371-L377 VanDerWaalsContact O-N 3.16Å; I372-L377 WeakPolarHBondContact CA-O 3.5Å; I372-L377 HydrophobicContact CG1-CB 4.16Å; I372-L377 HydrophobicContact CG1-CD2 4.06Å; I372-L377 HydrophobicContact CG1-CG 4.47Å; E375-L377 VanDerWaalsContact C-N 3.32Å; L377-F387 HydrophobicContact CD1-CB 3.59Å; L377-F387 HydrophobicContact CD1-CD1 4.47Å; L377-F387 HydrophobicContact CD1-CG 4.1Å; L377-F387 HydrophobicContact CD2-CB 4.06Å; L377-F387 HydrophobicContact CD2-CD1 3.55Å; L377-F387 HydrophobicContact CD2-CD2 4.04Å; L377-F387 HydrophobicContact CD2-CE1 3.95Å; L377-F387 HydrophobicContact CD2-CE2 4.4Å; L377-F387 HydrophobicContact CD2-CG 3.6Å; L377-F387 HydrophobicContact CD2-CZ 4.35Å; L377-F387 HydrophobicContact CG-CB 3.65Å; L377-F387 HydrophobicContact CG-CD1 3.58Å; L377-F387 HydrophobicContact CG-CE1 4.39Å; L377-F387 HydrophobicContact CG-CG 3.67Å |
| 378 | I | 90.3 | Very high | 86.2 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.5 | -177.3 | -61.8 | 168.5 | 0 | 0 | 0 | 108 | F387 T388 V393 I847 I860 | I378-F387 WeakPolarHBondContact O-CA 3.45Å; I378-T388 HydrophobicContact CB-CG2 3.97Å; I378-T388 HydrophobicContact CG2-CG2 4.38Å; I378-T388 PolarHBondContact N-O 3.24Å; I378-T388 PolarHBondContact O-N 3.27Å; I378-V393 HydrophobicContact CD1-CB 4.37Å; I378-V393 HydrophobicContact CD1-CG2 3.81Å; I378-I847 HydrophobicContact CG2-CD1 4.19Å; I378-I860 HydrophobicContact CD1-CD1 4.01Å; I378-I860 HydrophobicContact CD1-CG1 4.28Å; I378-I860 HydrophobicContact CD1-CG2 4.35Å; I378-I860 HydrophobicContact CG1-CG2 4.3Å; I378-I860 HydrophobicContact CG2-CG1 4.35Å; I378-I860 HydrophobicContact CG2-CG2 4.24Å |
| 379 | P | 88.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.7 | 177.7 | 29.6 | -34.8 | 0 | 0 | 0 | 110.6 | F387 Q863 L867 | P379-F387 HydrophobicContact CB-CD1 4.12Å; P379-F387 HydrophobicContact CB-CE1 4Å; P379-Q863 HydrophobicContact CG-CB 4.36Å; P379-L867 HydrophobicContact CB-CD1 4.31Å; P379-L867 HydrophobicContact CB-CD2 3.71Å; P379-L867 HydrophobicContact CB-CG 4.26Å; P379-L867 HydrophobicContact CG-CD1 4.01Å; P379-L867 HydrophobicContact CG-CD2 4.1Å; P379-L867 HydrophobicContact CG-CG 4.09Å |
| 380 | L | 81.1 | Confident | 86 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -101.3 | -7.4 | 173.3 | -66.3 | 169.5 | 0 | 0 | 0 | 111.4 | Q340 L386 T388 I847 R850 | Q340-L380 HydrophobicContact CB-CD1 4.39Å; Q340-L380 HydrophobicContact CG-CD1 3.76Å; L380-L386 HydrophobicContact CB-CB 4.42Å; L380-L386 HydrophobicContact CB-CD2 4.21Å; L380-L386 HydrophobicContact CB-CG 4.43Å; L380-L386 WeakPolarHBondContact CB-O 3.34Å; L380-L386 HydrophobicContact CD1-CD2 3.92Å; L380-L386 HydrophobicContact CD1-CG 4.08Å; L380-L386 PolarHBondContact N-O 3.39Å; L380-T388 HydrophobicContact CD2-CG2 4.27Å; L380-T388 HydrophobicContact CG-CG2 4.47Å; L380-I847 HydrophobicContact CD2-CG1 3.84Å; L380-R850 WeakPolarHBondContact O-CD 3.39Å; L380-R850 VanDerWaalsContact O-CZ 3.27Å; L380-R850 PolarHBondContact O-NE 3.08Å; L380-R850 PolarHBondContact O-NH1 3.38Å |
| 381 | D | 78.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -145.5 | 158.1 | 175.2 | 68.6 | -76.5 | 0 | 0 | 0 | 111.3 | E383 K384 G385 L386 L867 | D381-E383 VanDerWaalsContact C-N 3.27Å; D381-E383 PolarHBondContact O-N 2.91Å; D381-E383 WeakPolarHBondContact OD2-CA 3.14Å; D381-E383 WeakPolarHBondContact OD2-CB 3.41Å; D381-E383 PolarHBondContact OD2-N 3.13Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 PolarHBondContact OD2-N 3.37Å; D381-G385 PolarHBondContact OD1-N 2.99Å; D381-G385 VanDerWaalsContact OD1-N 3.11Å; D381-G385 PolarHBondContact OD2-N 2.9Å; D381-L386 WeakPolarHBondContact OD1-CA 3.2Å; D381-L386 WeakPolarHBondContact OD1-CB 3.39Å; D381-L386 PolarHBondContact OD1-N 3.36Å; D381-L867 WeakPolarHBondContact O-CD2 3.31Å |
| 382 | R | 81.1 | Confident | 85.4 | Confident | 162 Ų | 162 | 33.3 Ų | 33.3 | 61% | 0.611 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -21.8 | -177 | -61.9 | -173 | 174.8 | 176.8 | -3.2 | 113.5 | K384 G866 H868 | R382-K384 VanDerWaalsContact C-N 3.32Å; R382-K384 PolarHBondContact O-N 3.48Å; R382-G866 WeakPolarHBondContact CG-O 3.08Å; R382-H868 PolarHBondContact O-CD2 3.06Å; R382-H868 VanDerWaalsContact O-CD2 3.27Å; R382-H868 PolarHBondContact O-N 3.45Å |
| 383 | E | 76.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6 | -177.2 | -63.5 | -165.3 | 112.3 | 0 | 0 | 113.6 | D381 G385 Q873 H876 R1282 V1332 | D381-E383 VanDerWaalsContact C-N 3.27Å; D381-E383 PolarHBondContact O-N 2.91Å; D381-E383 WeakPolarHBondContact OD2-CA 3.14Å; D381-E383 WeakPolarHBondContact OD2-CB 3.41Å; D381-E383 PolarHBondContact OD2-N 3.13Å; E383-G385 VanDerWaalsContact C-N 3.26Å; E383-G385 PolarHBondContact O-N 3.37Å; E383-Q873 PolarHBondContact O-NE2 2.9Å; E383-H876 IonicContact OE1-CD2 2.78Å; E383-H876 PolarHBondContact OE1-CD2 3.47Å; E383-H876 IonicContact OE1-NE2 3.1Å; E383-H876 PolarHBondContact OE1-NE2 2.85Å; E383-R1282 IonicContact OE1-CZ 2.77Å; E383-R1282 IonicContact OE1-NH1 3.56Å; E383-R1282 PolarHBondContact OE1-NH1 2.87Å; E383-R1282 IonicContact OE1-NH2 2.7Å; E383-R1282 IonicContact OE2-CZ 2.66Å; E383-R1282 IonicContact OE2-NH1 3.82Å; E383-R1282 PolarHBondContact OE2-NH1 3.42Å; E383-R1282 IonicContact OE2-NH2 3.85Å; E383-R1282 PolarHBondContact OE2-NH2 3.13Å; E383-V1332 HydrophobicContact CB-CG2 3.58Å; E383-V1332 HydrophobicContact CG-CG2 4.43Å; E383-V1332 WeakPolarHBondContact OE2-CG1 3.26Å; E383-V1332 VanDerWaalsContact OE2-CG2 3.26Å; E383-V1332 WeakPolarHBondContact OE2-CG2 3.18Å |
| 384 | K | 81.4 | Confident | 85.4 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 59.1 | 31.4 | -174.3 | -64.4 | -173.6 | -179.8 | -175 | 0 | 113.2 | D369 D381 R382 F387 L867 | D369-K384 VanDerWaalsContact CG-NZ 3.31Å; D369-K384 IonicContact OD1-NZ 3.23Å; D369-K384 PolarHBondContact OD1-NZ 3.06Å; D369-K384 IonicContact OD2-NZ 3.92Å; D369-K384 PolarHBondContact OD2-NZ 3.36Å; D381-K384 PolarHBondContact O-N 3.48Å; D381-K384 PolarHBondContact OD2-N 3.37Å; R382-K384 VanDerWaalsContact C-N 3.32Å; R382-K384 PolarHBondContact O-N 3.48Å; K384-F387 HydrophobicContact CB-CZ 3.92Å; K384-F387 WeakPolarHBondContact O-CE2 3.34Å; K384-F387 VanDerWaalsContact O-CZ 3.28Å; K384-F387 WeakPolarHBondContact O-CZ 3.1Å; K384-L867 HydrophobicContact CG-CD1 4.38Å; K384-L867 HydrophobicContact CG-CD2 3.59Å; K384-L867 HydrophobicContact CG-CG 4.49Å |
| 385 | G | 74.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -86.5 | -38.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T342 Y343 D381 E383 | T342-G385 VanDerWaalsContact CA-O 3.28Å; T342-G385 WeakPolarHBondContact CA-O 3.31Å; Y343-G385 PolarHBondContact N-O 2.88Å; D381-G385 PolarHBondContact OD1-N 2.99Å; D381-G385 VanDerWaalsContact OD1-N 3.11Å; D381-G385 PolarHBondContact OD2-N 2.9Å; E383-G385 VanDerWaalsContact C-N 3.26Å; E383-G385 PolarHBondContact O-N 3.37Å | ||
| 386 | L | 81.2 | Confident | 85.2 | Confident | 31 Ų | 31 | 25.7 Ų | 25.7 | 16% | 0.162 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.9 | -169 | -167.5 | 77.4 | 0 | 0 | 0 | 110 | Q340 F341 L380 D381 | Q340-L386 HydrophobicContact CB-CD1 4.16Å; Q340-L386 HydrophobicContact CB-CG 4.38Å; F341-L386 WeakPolarHBondContact O-CA 3.22Å; L380-L386 HydrophobicContact CB-CB 4.42Å; L380-L386 HydrophobicContact CB-CD2 4.21Å; L380-L386 HydrophobicContact CB-CG 4.43Å; L380-L386 WeakPolarHBondContact CB-O 3.34Å; L380-L386 HydrophobicContact CD1-CD2 3.92Å; L380-L386 HydrophobicContact CD1-CG 4.08Å; L380-L386 PolarHBondContact N-O 3.39Å; D381-L386 WeakPolarHBondContact OD1-CA 3.2Å; D381-L386 WeakPolarHBondContact OD1-CB 3.39Å; D381-L386 PolarHBondContact OD1-N 3.36Å |
| 387 | F | 85.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.1 | -175.5 | -58.4 | -86.7 | 0 | 0 | 0 | 111.4 | Q340 F341 Y343 I372 L377 I378 P379 K384 | Q340-F387 CarbonylContact C-O 3.54Å; Q340-F387 WeakPolarHBondContact CA-O 3.47Å; F341-F387 PolarHBondContact N-O 3.41Å; F341-F387 PolarHBondContact O-N 2.97Å; Y343-F387 AromaticContact CD2-CE2 3.84Å; Y343-F387 HydrophobicContact CD2-CE2 3.84Å; Y343-F387 AromaticContact CD2-CZ 3.98Å; Y343-F387 HydrophobicContact CD2-CZ 3.98Å; Y343-F387 HydrophobicContact CG-CE2 4.36Å; I372-F387 HydrophobicContact CD1-CE1 3.6Å; I372-F387 HydrophobicContact CD1-CZ 4.02Å; I372-F387 HydrophobicContact CG1-CE1 4.02Å; L377-F387 HydrophobicContact CD1-CB 3.59Å; L377-F387 HydrophobicContact CD1-CD1 4.47Å; L377-F387 HydrophobicContact CD1-CG 4.1Å; L377-F387 HydrophobicContact CD2-CB 4.06Å; L377-F387 HydrophobicContact CD2-CD1 3.55Å; L377-F387 HydrophobicContact CD2-CD2 4.04Å; L377-F387 HydrophobicContact CD2-CE1 3.95Å; L377-F387 HydrophobicContact CD2-CE2 4.4Å; L377-F387 HydrophobicContact CD2-CG 3.6Å; L377-F387 HydrophobicContact CD2-CZ 4.35Å; L377-F387 HydrophobicContact CG-CB 3.65Å; L377-F387 HydrophobicContact CG-CD1 3.58Å; L377-F387 HydrophobicContact CG-CE1 4.39Å; L377-F387 HydrophobicContact CG-CG 3.67Å; I378-F387 WeakPolarHBondContact O-CA 3.45Å; P379-F387 HydrophobicContact CB-CD1 4.12Å; P379-F387 HydrophobicContact CB-CE1 4Å; K384-F387 HydrophobicContact CB-CZ 3.92Å; K384-F387 WeakPolarHBondContact O-CE2 3.34Å; K384-F387 VanDerWaalsContact O-CZ 3.28Å; K384-F387 WeakPolarHBondContact O-CZ 3.1Å |
| 388 | T | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 163.4 | 156.5 | -167.1 | 0 | 0 | 0 | 0 | 110 | V339 I378 L380 V393 V843 I847 | V339-T388 WeakPolarHBondContact O-CB 3.39Å; V339-T388 PolarHBondContact O-OG1 2.81Å; I378-T388 HydrophobicContact CB-CG2 3.97Å; I378-T388 HydrophobicContact CG2-CG2 4.38Å; I378-T388 PolarHBondContact N-O 3.24Å; I378-T388 PolarHBondContact O-N 3.27Å; L380-T388 HydrophobicContact CD2-CG2 4.27Å; L380-T388 HydrophobicContact CG-CG2 4.47Å; T388-V393 HydrophobicContact CG2-CG2 4.26Å; T388-V843 HydrophobicContact CG2-CG1 4.43Å; T388-I847 HydrophobicContact CG2-CD1 4.04Å |
| 389 | S | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 141.5 | 177.3 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | S335 I391 H392 V393 | S335-S389 WeakPolarHBondContact CB-OG 3.12Å; S389-I391 PolarHBondContact O-N 3.18Å; S389-H392 PolarHBondContact O-N 2.98Å; S389-H392 VanDerWaalsContact O-N 3.12Å; S389-H392 WeakPolarHBondContact OG-CB 3.48Å; S389-H392 PolarHBondContact OG-N 3.36Å; S389-H392 VanDerWaalsContact OG-N 3.15Å; S389-H392 PolarHBondContact OG-ND1 2.81Å; S389-H392 VanDerWaalsContact OG-ND1 3.13Å; S389-V393 PolarHBondContact O-N 2.85Å |
| 390 | G | 87.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -29.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q376 H392 V393 L394 | Q376-G390 PolarHBondContact O-N 2.82Å; G390-H392 PolarHBondContact O-N 3.3Å; G390-V393 PolarHBondContact O-N 2.66Å; G390-L394 WeakPolarHBondContact O-CB 3.24Å; G390-L394 VanDerWaalsContact O-CG 3.25Å; G390-L394 WeakPolarHBondContact O-CG 3.32Å; G390-L394 PolarHBondContact O-N 3.1Å |
| 391 | I | 87.2 | Confident | 86 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 23% | 0.231 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.4 | -51.3 | 174.2 | -59.1 | 171.1 | 0 | 0 | 0 | 111.2 | A332 S389 V393 L394 D395 | A332-I391 HydrophobicContact CB-CD1 3.92Å; S389-I391 PolarHBondContact O-N 3.18Å; I391-V393 PolarHBondContact O-N 3.09Å; I391-L394 PolarHBondContact O-N 2.82Å; I391-D395 WeakPolarHBondContact O-CB 3.42Å; I391-D395 VanDerWaalsContact O-CG 3.22Å; I391-D395 PolarHBondContact O-N 3.42Å |
| 392 | H | 84 | Confident | 86.6 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 178.1 | -95.4 | 90.1 | 0 | 0 | 0 | 112.9 | S335 K338 S389 G390 D395 E396 V843 | S335-H392 PolarHBondContact O-CE1 2.87Å; S335-H392 PolarHBondContact O-ND1 3.38Å; K338-H392 PolarHBondContact O-CE1 3.34Å; S389-H392 PolarHBondContact O-N 2.98Å; S389-H392 VanDerWaalsContact O-N 3.12Å; S389-H392 WeakPolarHBondContact OG-CB 3.48Å; S389-H392 PolarHBondContact OG-N 3.36Å; S389-H392 VanDerWaalsContact OG-N 3.15Å; S389-H392 PolarHBondContact OG-ND1 2.81Å; S389-H392 VanDerWaalsContact OG-ND1 3.13Å; G390-H392 PolarHBondContact O-N 3.3Å; H392-D395 PolarHBondContact O-N 2.84Å; H392-E396 WeakPolarHBondContact O-CB 3.34Å; H392-E396 PolarHBondContact O-N 3.31Å; H392-V843 HydrophobicContact CB-CG2 4.29Å |
| 393 | V | 88.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 179.8 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | I378 T388 S389 G390 I391 E396 L397 I847 L856 I860 | I378-V393 HydrophobicContact CD1-CB 4.37Å; I378-V393 HydrophobicContact CD1-CG2 3.81Å; T388-V393 HydrophobicContact CG2-CG2 4.26Å; S389-V393 PolarHBondContact O-N 2.85Å; G390-V393 PolarHBondContact O-N 2.66Å; I391-V393 PolarHBondContact O-N 3.09Å; V393-E396 PolarHBondContact O-N 2.74Å; V393-L397 HydrophobicContact CG1-CD1 4.13Å; V393-L397 WeakPolarHBondContact O-CB 3.22Å; V393-L397 VanDerWaalsContact O-CG 3.26Å; V393-L397 WeakPolarHBondContact O-CG 3.25Å; V393-L397 PolarHBondContact O-N 2.84Å; V393-I847 HydrophobicContact CG2-CD1 3.89Å; V393-L856 HydrophobicContact CG1-CD2 3.88Å; V393-I860 HydrophobicContact CG1-CD1 4.44Å |
| 394 | L | 89.9 | Confident | 88 | Confident | 108 Ų | 108 | 30.3 Ų | 30.3 | 57% | 0.565 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.8 | -71.1 | 170.8 | 0 | 0 | 0 | 112.3 | G390 I391 E396 L397 S398 | G390-L394 WeakPolarHBondContact O-CB 3.24Å; G390-L394 VanDerWaalsContact O-CG 3.25Å; G390-L394 WeakPolarHBondContact O-CG 3.32Å; G390-L394 PolarHBondContact O-N 3.1Å; I391-L394 PolarHBondContact O-N 2.82Å; L394-E396 VanDerWaalsContact C-N 3.34Å; L394-L397 PolarHBondContact O-N 2.9Å; L394-S398 VanDerWaalsContact O-CB 3.24Å; L394-S398 WeakPolarHBondContact O-CB 3.27Å; L394-S398 PolarHBondContact O-N 3.18Å; L394-S398 PolarHBondContact O-OG 2.99Å |
| 395 | D | 88.8 | Confident | 88.4 | Confident | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 177.9 | -75 | -15.4 | 0 | 0 | 0 | 110.4 | I391 H392 S398 V399 L522 L526 | I391-D395 WeakPolarHBondContact O-CB 3.42Å; I391-D395 VanDerWaalsContact O-CG 3.22Å; I391-D395 PolarHBondContact O-N 3.42Å; H392-D395 PolarHBondContact O-N 2.84Å; D395-S398 PolarHBondContact O-N 3.08Å; D395-V399 WeakPolarHBondContact O-CG2 3.37Å; D395-V399 PolarHBondContact O-N 2.92Å; D395-L522 HydrophobicContact CB-CB 3.98Å; D395-L522 HydrophobicContact CB-CD1 4.15Å; D395-L526 HydrophobicContact CB-CD1 3.89Å; D395-L526 WeakPolarHBondContact OD1-CD1 3.43Å |
| 396 | E | 88.1 | Confident | 89.2 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.2 | -167.1 | -164.2 | 131.5 | 0 | 0 | 112.2 | H392 V393 L394 S398 V399 R400 A556 V842 V843 S844 | H392-E396 WeakPolarHBondContact O-CB 3.34Å; H392-E396 PolarHBondContact O-N 3.31Å; V393-E396 PolarHBondContact O-N 2.74Å; L394-E396 VanDerWaalsContact C-N 3.34Å; E396-S398 VanDerWaalsContact C-N 3.31Å; E396-S398 PolarHBondContact O-N 3.32Å; E396-V399 PolarHBondContact O-N 2.78Å; E396-R400 PolarHBondContact O-N 3.33Å; E396-A556 HydrophobicContact CG-CB 3.81Å; E396-V842 VanDerWaalsContact CD-CB 3.48Å; E396-V842 HydrophobicContact CG-CB 4.46Å; E396-V842 VanDerWaalsContact OE1-CB 3.26Å; E396-V842 WeakPolarHBondContact OE1-CB 3.44Å; E396-V842 WeakPolarHBondContact OE1-CG2 3.47Å; E396-V842 WeakPolarHBondContact OE2-CB 3.29Å; E396-V843 VanDerWaalsContact OE2-CG2 3.26Å; E396-V843 WeakPolarHBondContact OE2-CG2 3.49Å; E396-V843 PolarHBondContact OE2-N 2.7Å; E396-S844 VanDerWaalsContact OE1-CB 3.25Å; E396-S844 WeakPolarHBondContact OE1-CB 3.48Å; E396-S844 PolarHBondContact OE1-OG 3.42Å; E396-S844 PolarHBondContact OE2-N 3.47Å |
| 397 | L | 90.2 | Very high | 89.7 | Confident | 71 Ų | 71 | 33.2 Ų | 33.2 | 37% | 0.372 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.7 | -71.6 | 172.5 | 0 | 0 | 0 | 111.7 | V393 L394 R400 A401 L856 | V393-L397 HydrophobicContact CG1-CD1 4.13Å; V393-L397 WeakPolarHBondContact O-CB 3.22Å; V393-L397 VanDerWaalsContact O-CG 3.26Å; V393-L397 WeakPolarHBondContact O-CG 3.25Å; V393-L397 PolarHBondContact O-N 2.84Å; L394-L397 PolarHBondContact O-N 2.9Å; L397-R400 WeakPolarHBondContact O-CB 3.36Å; L397-R400 PolarHBondContact O-N 3.43Å; L397-A401 WeakPolarHBondContact O-CB 3.17Å; L397-A401 PolarHBondContact O-N 3.42Å; L397-L856 HydrophobicContact CD1-CD2 4.08Å; L397-L856 HydrophobicContact CD2-CD2 4.01Å; L397-L856 HydrophobicContact CG-CD2 4.32Å |
| 398 | S | 92.4 | Very high | 89.8 | Confident | 52 Ų | 52 | 41 Ų | 41 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.6 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | L394 D395 E396 R400 A401 L402 L526 | L394-S398 VanDerWaalsContact O-CB 3.24Å; L394-S398 WeakPolarHBondContact O-CB 3.27Å; L394-S398 PolarHBondContact O-N 3.18Å; L394-S398 PolarHBondContact O-OG 2.99Å; D395-S398 PolarHBondContact O-N 3.08Å; E396-S398 VanDerWaalsContact C-N 3.31Å; E396-S398 PolarHBondContact O-N 3.32Å; S398-R400 VanDerWaalsContact C-N 3.35Å; S398-R400 PolarHBondContact O-N 3.16Å; S398-A401 PolarHBondContact O-N 3.41Å; S398-L402 WeakPolarHBondContact O-CB 3.48Å; S398-L402 WeakPolarHBondContact O-CG 3.38Å; S398-L402 PolarHBondContact O-N 2.92Å; S398-L526 VanDerWaalsContact CB-CD2 3.49Å |
| 399 | V | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 172.9 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | D395 E396 S403 L522 T525 L526 L529 A556 M557 | D395-V399 WeakPolarHBondContact O-CG2 3.37Å; D395-V399 PolarHBondContact O-N 2.92Å; E396-V399 PolarHBondContact O-N 2.78Å; V399-S403 WeakPolarHBondContact O-CB 3.4Å; V399-S403 PolarHBondContact O-N 2.81Å; V399-S403 PolarHBondContact O-OG 3Å; V399-L522 HydrophobicContact CG2-CD2 4.05Å; V399-T525 HydrophobicContact CG1-CG2 4.27Å; V399-T525 HydrophobicContact CG2-CG2 4.33Å; V399-L526 HydrophobicContact CB-CD2 4.49Å; V399-L526 HydrophobicContact CG2-CD2 3.65Å; V399-L526 HydrophobicContact CG2-CG 3.71Å; V399-L529 HydrophobicContact CG1-CD1 4Å; V399-A556 HydrophobicContact CG1-CB 4.21Å; V399-M557 HydrophobicContact CG1-CG 3.72Å |
| 400 | R | 90.7 | Very high | 89.7 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.7 | -127.3 | 177.8 | -158 | 168.6 | 7 | 111.7 | E396 L397 S398 R404 A556 D559 A560 | E396-R400 PolarHBondContact O-N 3.33Å; L397-R400 WeakPolarHBondContact O-CB 3.36Å; L397-R400 PolarHBondContact O-N 3.43Å; S398-R400 VanDerWaalsContact C-N 3.35Å; S398-R400 PolarHBondContact O-N 3.16Å; R400-R404 WeakPolarHBondContact O-CG 3.29Å; R400-R404 PolarHBondContact O-N 2.89Å; R400-A556 WeakPolarHBondContact CG-O 3.12Å; R400-D559 IonicContact CZ-OD2 3.06Å; R400-D559 IonicContact NH2-OD2 2.88Å; R400-D559 PolarHBondContact NH2-OD2 2.85Å; R400-A560 HydrophobicContact CB-CB 4.38Å; R400-A560 HydrophobicContact CG-CB 3.6Å |
| 401 | A | 91.8 | Very high | 89.5 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -53.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L397 S398 S403 R404 D405 | L397-A401 WeakPolarHBondContact O-CB 3.17Å; L397-A401 PolarHBondContact O-N 3.42Å; S398-A401 PolarHBondContact O-N 3.41Å; A401-S403 VanDerWaalsContact C-N 3.25Å; A401-S403 PolarHBondContact O-N 3.41Å; A401-R404 WeakPolarHBondContact O-CB 3.49Å; A401-R404 PolarHBondContact O-N 3.02Å; A401-D405 PolarHBondContact O-N 3.27Å |
| 402 | L | 93.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 179.6 | -75 | 171.7 | 0 | 0 | 0 | 112.2 | S398 D405 I406 L526 L529 | S398-L402 WeakPolarHBondContact O-CB 3.48Å; S398-L402 WeakPolarHBondContact O-CG 3.38Å; S398-L402 PolarHBondContact O-N 2.92Å; L402-D405 PolarHBondContact O-N 3.05Å; L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 WeakPolarHBondContact O-CD1 3.35Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.24Å; L402-I406 PolarHBondContact O-N 3.49Å; L402-L526 HydrophobicContact CD1-CD2 3.87Å; L402-L529 HydrophobicContact CB-CB 4.1Å; L402-L529 HydrophobicContact CB-CD1 4.3Å; L402-L529 HydrophobicContact CD1-CB 4.24Å |
| 403 | S | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.1 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | V399 A401 M407 M557 | V399-S403 WeakPolarHBondContact O-CB 3.4Å; V399-S403 PolarHBondContact O-N 2.81Å; V399-S403 PolarHBondContact O-OG 3Å; A401-S403 VanDerWaalsContact C-N 3.25Å; A401-S403 PolarHBondContact O-N 3.41Å; S403-M407 WeakPolarHBondContact O-CB 3.48Å; S403-M407 VanDerWaalsContact O-CG 3.29Å; S403-M407 WeakPolarHBondContact O-CG 3.34Å; S403-M407 PolarHBondContact O-N 2.87Å; S403-M407 VanDerWaalsContact O-N 3.07Å; S403-M557 WeakPolarHBondContact OG-CG 3.36Å |
| 404 | R | 91.9 | Very high | 89 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.7 | -71.6 | 174 | 176.3 | 173.8 | 1.3 | 112.2 | R400 A401 M407 K408 A560 | R400-R404 WeakPolarHBondContact O-CG 3.29Å; R400-R404 PolarHBondContact O-N 2.89Å; A401-R404 WeakPolarHBondContact O-CB 3.49Å; A401-R404 PolarHBondContact O-N 3.02Å; R404-M407 HydrophobicContact CG-CE 4.32Å; R404-M407 PolarHBondContact O-N 3.13Å; R404-K408 WeakPolarHBondContact O-CG 3.49Å; R404-K408 PolarHBondContact O-N 3.32Å; R404-A560 HydrophobicContact CG-CB 4.34Å; R404-A560 PolarHBondContact NE-O 2.95Å |
| 405 | D | 91.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 178.8 | -72.2 | -20.8 | 0 | 0 | 0 | 111.5 | A401 L402 M407 K408 Q409 | A401-D405 PolarHBondContact O-N 3.27Å; L402-D405 PolarHBondContact O-N 3.05Å; D405-M407 VanDerWaalsContact C-N 3.33Å; D405-M407 PolarHBondContact O-N 3.47Å; D405-K408 PolarHBondContact O-N 3.37Å; D405-K408 VanDerWaalsContact O-N 3.14Å; D405-Q409 VanDerWaalsContact O-CB 3.28Å; D405-Q409 WeakPolarHBondContact O-CB 3.46Å; D405-Q409 WeakPolarHBondContact O-CG 3.42Å; D405-Q409 PolarHBondContact O-N 2.89Å |
| 406 | I | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.9 | -68.4 | 162.9 | 0 | 0 | 0 | 110.8 | L402 K408 N410 S439 L440 L529 A532 A533 | L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 WeakPolarHBondContact O-CD1 3.35Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.24Å; L402-I406 PolarHBondContact O-N 3.49Å; I406-K408 VanDerWaalsContact C-N 3.27Å; I406-K408 PolarHBondContact O-N 3.27Å; I406-N410 HydrophobicContact CG2-CB 4.25Å; I406-N410 VanDerWaalsContact O-CB 3.3Å; I406-N410 WeakPolarHBondContact O-CB 3.41Å; I406-N410 PolarHBondContact O-N 2.86Å; I406-N410 VanDerWaalsContact O-N 3.1Å; I406-S439 PolarHBondContact O-OG 2.98Å; I406-L440 HydrophobicContact CG2-CB 4.01Å; I406-L529 HydrophobicContact CD1-CB 3.86Å; I406-L529 HydrophobicContact CD1-CD2 3.66Å; I406-L529 HydrophobicContact CD1-CG 4.3Å; I406-L529 WeakPolarHBondContact CD1-O 3.46Å; I406-A532 HydrophobicContact CD1-CB 4.27Å; I406-A533 HydrophobicContact CD1-CB 4.39Å; I406-A533 HydrophobicContact CG1-CB 3.88Å |
| 407 | M | 91.5 | Very high | 87.6 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -30.9 | 177.4 | -74 | -169.6 | -64.5 | 0 | 0 | 113 | S403 R404 D405 S439 L440 V562 | S403-M407 WeakPolarHBondContact O-CB 3.48Å; S403-M407 VanDerWaalsContact O-CG 3.29Å; S403-M407 WeakPolarHBondContact O-CG 3.34Å; S403-M407 PolarHBondContact O-N 2.87Å; S403-M407 VanDerWaalsContact O-N 3.07Å; R404-M407 HydrophobicContact CG-CE 4.32Å; R404-M407 PolarHBondContact O-N 3.13Å; D405-M407 VanDerWaalsContact C-N 3.33Å; D405-M407 PolarHBondContact O-N 3.47Å; M407-S439 WeakPolarHBondContact CA-OG 3.43Å; M407-L440 HydrophobicContact CG-CB 4.35Å; M407-V562 HydrophobicContact CE-CG2 3.98Å; M407-V562 HydrophobicContact SD-CB 4.45Å; M407-V562 HydrophobicContact SD-CG2 3.96Å |
| 408 | K | 87.8 | Confident | 87 | Confident | 164 Ų | 164 | 75.1 Ų | 75.1 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -88.2 | -42.7 | -179.7 | -74.1 | 176.7 | -179.1 | 178 | 0 | 113.7 | R404 D405 I406 | R404-K408 WeakPolarHBondContact O-CG 3.49Å; R404-K408 PolarHBondContact O-N 3.32Å; D405-K408 PolarHBondContact O-N 3.37Å; D405-K408 VanDerWaalsContact O-N 3.14Å; I406-K408 VanDerWaalsContact C-N 3.27Å; I406-K408 PolarHBondContact O-N 3.27Å |
| 409 | Q | 86.6 | Confident | 86.4 | Confident | 133 Ų | 133 | 75 Ų | 75 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -93.6 | -37.5 | -167.7 | -61.8 | 178.1 | 5.1 | 0 | 0 | 112.3 | D405 | D405-Q409 VanDerWaalsContact O-CB 3.28Å; D405-Q409 WeakPolarHBondContact O-CB 3.46Å; D405-Q409 WeakPolarHBondContact O-CG 3.42Å; D405-Q409 PolarHBondContact O-N 2.89Å |
| 410 | N | 86.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.059 | 39% | 0.388 | C | S | . | . | trans | -81.1 | 144.9 | -177.6 | -70.1 | 13.1 | 0 | 0 | 0 | 111 | I406 A532 N536 | I406-N410 HydrophobicContact CG2-CB 4.25Å; I406-N410 VanDerWaalsContact O-CB 3.3Å; I406-N410 WeakPolarHBondContact O-CB 3.41Å; I406-N410 PolarHBondContact O-N 2.86Å; I406-N410 VanDerWaalsContact O-N 3.1Å; N410-A532 PolarHBondContact ND2-O 2.87Å; N410-N536 VanDerWaalsContact CA-OD1 3.24Å; N410-N536 WeakPolarHBondContact CA-OD1 3.5Å; N410-N536 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 411 | R | 84.3 | Confident | 84.9 | Confident | 194 Ų | 194 | 82 Ų | 82 | 73% | 0.732 | 42% | 0.415 | S | S | * | . | trans | -130.8 | 124.1 | 177.7 | -72.1 | -76.4 | -171.4 | 154.1 | 0.9 | 109.7 | T413 N536 | R411-T413 PolarHBondContact O-N 2.9Å; R411-N536 PolarHBondContact N-OD1 3.26Å; R411-N536 VanDerWaalsContact N-OD1 3.14Å | ||
| 412 | V | 85.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 14% | 0.139 | 42% | 0.417 | C | S | . | . | trans | -75.5 | 107.2 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | R437 P438 Q538 | V412-R437 HydrophobicContact CB-CB 4.16Å; V412-R437 HydrophobicContact CG1-CB 4.33Å; V412-R437 VanDerWaalsContact CG2-O 3.27Å; V412-R437 WeakPolarHBondContact CG2-O 3.44Å; V412-P438 WeakPolarHBondContact CG2-O 3.49Å; V412-Q538 HydrophobicContact CG2-CB 4.17Å; V412-Q538 HydrophobicContact CG2-CG 3.98Å | ||
| 413 | T | 82.1 | Confident | 82.6 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | trans | -96.2 | 134.2 | 177.7 | -43 | 0 | 0 | 0 | 0 | 109.2 | R411 R468 | R411-T413 PolarHBondContact O-N 2.9Å; T413-R468 PolarHBondContact O-NH1 2.89Å; T413-R468 VanDerWaalsContact O-NH1 3.15Å | ||
| 414 | V | 81.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 92.4 Ų | 92.4 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | trans | -90 | 132.8 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | P416 Q466 | V414-P416 WeakPolarHBondContact O-CD 3.33Å; V414-Q466 WeakPolarHBondContact CA-O 3.14Å; V414-Q466 HydrophobicContact CG2-CB 4.3Å; V414-Q466 HydrophobicContact CG2-CG 4.2Å | ||
| 415 | H | 82.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 33% | 0.329 | 48% | 0.482 | S | S | . | . | trans | -107.5 | 84.2 | 177.2 | -63.8 | -66.4 | 0 | 0 | 0 | 109.9 | E417 K418 S419 Q466 | H415-E417 PolarHBondContact O-N 3.4Å; H415-E417 VanDerWaalsContact O-N 3.1Å; H415-K418 HydrophobicContact CB-CB 4.36Å; H415-K418 HydrophobicContact CB-CD 4.49Å; H415-K418 PolarHBondContact O-N 3.13Å; H415-S419 PolarHBondContact O-N 3.09Å; H415-Q466 PolarHBondContact N-O 2.84Å | ||
| 416 | P | 77 | Confident | 79.7 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -61.1 | -23 | -175.2 | 23.7 | -33.2 | 0 | 0 | 0 | 113.5 | V414 K418 S419 | V414-P416 WeakPolarHBondContact O-CD 3.33Å; P416-K418 PolarHBondContact O-N 3.36Å; P416-S419 PolarHBondContact O-N 3.48Å; P416-S419 PolarHBondContact O-OG 2.92Å |
| 417 | E | 75.8 | Confident | 79.1 | Confident | 195 Ų | 195 | 89.4 Ų | 89.4 | 91% | 0.911 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -68.6 | -22.7 | 175.1 | -61 | -176.7 | -177 | 0 | 0 | 113.3 | H415 | H415-E417 PolarHBondContact O-N 3.4Å; H415-E417 VanDerWaalsContact O-N 3.1Å |
| 418 | K | 79.4 | Confident | 78.6 | Confident | 151 Ų | 151 | 92.9 Ų | 92.9 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -109.4 | -0.5 | -178.3 | -60.5 | -178.5 | -177.2 | 179.6 | 0 | 112.5 | H415 P416 | H415-K418 HydrophobicContact CB-CB 4.36Å; H415-K418 HydrophobicContact CB-CD 4.49Å; H415-K418 PolarHBondContact O-N 3.13Å; P416-K418 PolarHBondContact O-N 3.36Å |
| 419 | S | 78.5 | Confident | 78.2 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 131.4 | -175 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | H415 P416 R464 E465 | H415-S419 PolarHBondContact O-N 3.09Å; P416-S419 PolarHBondContact O-N 3.48Å; P416-S419 PolarHBondContact O-OG 2.92Å; S419-R464 WeakPolarHBondContact CA-O 3.36Å; S419-E465 WeakPolarHBondContact CB-O 3.05Å |
| 420 | V | 78.2 | Confident | 78.1 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 128.3 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | R464 E465 | V420-R464 HydrophobicContact CB-CB 4.31Å; V420-R464 HydrophobicContact CG2-CB 4.31Å; V420-R464 PolarHBondContact N-O 2.77Å; V420-E465 WeakPolarHBondContact O-CA 3.5Å |
| 421 | P | 72 | Confident | 78 | Confident | 109 Ų | 109 | 80.6 Ų | 80.6 | 71% | 0.708 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -65 | 139.7 | -179.8 | 23.6 | -31 | 0 | 0 | 0 | 112.1 | ||
| 422 | R | 69.3 | Low | 78.1 | Confident | 117 Ų | 117 | 74.2 Ų | 74.2 | 44% | 0.442 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62 | 134.2 | -178.1 | -72 | -173.1 | -176.2 | 161.6 | 12.5 | 112.1 | Y426 M461 E465 | R422-Y426 PolarHBondContact NE-OH 2.81Å; R422-Y426 VanDerWaalsContact NE-OH 3.14Å; R422-M461 HydrophobicContact CB-CE 4.35Å; R422-E465 HydrophobicContact CG-CG 4.1Å; R422-E465 IonicContact CZ-OE1 3.23Å; R422-E465 VanDerWaalsContact CZ-OE1 3.23Å; R422-E465 IonicContact CZ-OE2 3.1Å; R422-E465 IonicContact NE-OE1 2.91Å; R422-E465 PolarHBondContact NE-OE1 2.94Å; R422-E465 IonicContact NE-OE2 2.73Å; R422-E465 PolarHBondContact NE-OE2 3.07Å; R422-E465 VanDerWaalsContact NH2-CD 3.32Å; R422-E465 IonicContact NH2-OE1 3.16Å; R422-E465 PolarHBondContact NH2-OE1 3.05Å; R422-E465 VanDerWaalsContact NH2-OE1 3.16Å; R422-E465 IonicContact NH2-OE2 2.68Å; R422-E465 PolarHBondContact NH2-OE2 2.69Å |
| 423 | T | 67.5 | Low | 78.2 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -99.4 | -15.6 | 175 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | M461 | T423-M461 WeakPolarHBondContact OG1-CE 3.38Š|
| 424 | A | 70.2 | Confident | 78.4 | Confident | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -150 | 158.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 425 | G | 69.8 | Low | 78.6 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 73% | 0.732 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 147.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 426 | Y | 75 | Confident | 78.7 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 11% | 0.11 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 154.7 | 178.5 | -65 | -23.9 | 0 | 0 | 0 | 112 | R422 V430 S431 A434 M461 M462 E465 | R422-Y426 PolarHBondContact NE-OH 2.81Å; R422-Y426 VanDerWaalsContact NE-OH 3.14Å; Y426-V430 HydrophobicContact CD1-CG1 4.3Å; Y426-V430 HydrophobicContact CD2-CG1 3.92Å; Y426-V430 HydrophobicContact CE2-CG1 4.3Å; Y426-V430 HydrophobicContact CG-CB 4.37Å; Y426-V430 HydrophobicContact CG-CG1 3.92Å; Y426-S431 WeakPolarHBondContact CB-OG 3.38Å; Y426-A434 HydrophobicContact CD2-CB 4.49Å; Y426-A434 HydrophobicContact CE2-CB 4.19Å; Y426-M461 HydrophobicContact CE1-CB 4.19Å; Y426-M461 HydrophobicContact CE1-CE 4.26Å; Y426-M461 PolarHBondContact OH-O 3.37Å; Y426-M462 HydrophobicContact CE2-CB 4.46Å; Y426-M462 WeakPolarHBondContact OH-CA 3.24Å; Y426-E465 PolarHBondContact OH-OE2 3.06Å |
| 427 | S | 80.1 | Confident | 79.2 | Confident | 22 Ų | 22 | 77.9 Ų | 77.9 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 157.7 | 156.6 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | A429 V430 S431 E458 W567 | S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 PolarHBondContact O-N 3.36Å; S427-V430 PolarHBondContact O-N 3.34Å; S427-V430 WeakPolarHBondContact OG-CG2 3.23Å; S427-S431 PolarHBondContact O-N 3.21Å; S427-S431 PolarHBondContact O-OG 3.3Å; S427-E458 WeakPolarHBondContact CB-OE1 3.35Å; S427-E458 WeakPolarHBondContact CB-OE2 3.33Å; S427-E458 PolarHBondContact N-OE1 3.08Å; S427-E458 PolarHBondContact OG-OE2 2.75Å; S427-W567 PolarHBondContact OG-NE1 2.71Å |
| 428 | D | 79.9 | Confident | 79.9 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.7 | -43.8 | -178.8 | -165.6 | 35.5 | 0 | 0 | 0 | 111.5 | V430 S431 V432 | D428-V430 PolarHBondContact O-N 3.08Å; D428-S431 WeakPolarHBondContact O-CB 3.46Å; D428-S431 PolarHBondContact O-N 3.46Å; D428-V432 WeakPolarHBondContact O-CG2 3.31Å; D428-V432 PolarHBondContact O-N 2.89Å |
| 429 | A | 80.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S427 S431 V432 L433 R566 W567 | S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 PolarHBondContact O-N 3.36Å; A429-S431 VanDerWaalsContact C-N 3.33Å; A429-V432 PolarHBondContact O-N 3.41Å; A429-L433 WeakPolarHBondContact O-CB 3.2Å; A429-L433 PolarHBondContact O-N 3.26Å; A429-R566 WeakPolarHBondContact CB-O 3.43Å; A429-W567 HydrophobicContact CB-CB 4.31Å |
| 430 | V | 83.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.7 | -28.5 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | Y426 S427 D428 L433 A434 E458 L459 M462 | Y426-V430 HydrophobicContact CD1-CG1 4.3Å; Y426-V430 HydrophobicContact CD2-CG1 3.92Å; Y426-V430 HydrophobicContact CE2-CG1 4.3Å; Y426-V430 HydrophobicContact CG-CB 4.37Å; Y426-V430 HydrophobicContact CG-CG1 3.92Å; S427-V430 PolarHBondContact O-N 3.34Å; S427-V430 WeakPolarHBondContact OG-CG2 3.23Å; D428-V430 PolarHBondContact O-N 3.08Å; V430-L433 PolarHBondContact O-N 2.71Å; V430-A434 VanDerWaalsContact O-CB 3.28Å; V430-A434 WeakPolarHBondContact O-CB 3.44Å; V430-A434 PolarHBondContact O-N 3.14Å; V430-E458 HydrophobicContact CG1-CB 4.41Å; V430-E458 HydrophobicContact CG2-CB 4.05Å; V430-E458 WeakPolarHBondContact CG2-OE2 3.48Å; V430-L459 HydrophobicContact CG2-CD2 4.09Å; V430-M462 HydrophobicContact CG1-CB 4.07Å; V430-M462 HydrophobicContact CG1-CG 4.4Å; V430-M462 HydrophobicContact CG1-SD 4.28Å |
| 431 | S | 85 | Confident | 81.9 | Confident | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 170.9 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | Y426 S427 D428 A429 A434 Q435 | Y426-S431 WeakPolarHBondContact CB-OG 3.38Å; S427-S431 PolarHBondContact O-N 3.21Å; S427-S431 PolarHBondContact O-OG 3.3Å; D428-S431 WeakPolarHBondContact O-CB 3.46Å; D428-S431 PolarHBondContact O-N 3.46Å; A429-S431 VanDerWaalsContact C-N 3.33Å; S431-A434 PolarHBondContact O-N 3.2Å; S431-Q435 PolarHBondContact O-N 3.22Å |
| 432 | V | 86.3 | Confident | 83 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | D428 A429 A434 Q435 D436 Y565 | D428-V432 WeakPolarHBondContact O-CG2 3.31Å; D428-V432 PolarHBondContact O-N 2.89Å; A429-V432 PolarHBondContact O-N 3.41Å; V432-A434 VanDerWaalsContact C-N 3.34Å; V432-A434 PolarHBondContact O-N 3.4Å; V432-Q435 WeakPolarHBondContact O-CB 3.4Å; V432-Q435 PolarHBondContact O-N 2.92Å; V432-D436 PolarHBondContact O-N 3.33Å; V432-Y565 HydrophobicContact CB-CD1 4.38Å; V432-Y565 HydrophobicContact CB-CE1 4.5Å; V432-Y565 HydrophobicContact CG1-CD1 4.07Å; V432-Y565 HydrophobicContact CG1-CE1 3.79Å |
| 433 | L | 88.1 | Confident | 84 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 178.5 | -176.9 | 69 | 0 | 0 | 0 | 112.8 | A429 V430 Q435 R437 P438 A441 V443 L459 M462 L540 Y565 | A429-L433 WeakPolarHBondContact O-CB 3.2Å; A429-L433 PolarHBondContact O-N 3.26Å; V430-L433 PolarHBondContact O-N 2.71Å; L433-Q435 PolarHBondContact O-N 3.4Å; L433-R437 PolarHBondContact O-N 3.06Å; L433-P438 HydrophobicContact CD1-CG 3.51Å; L433-A441 HydrophobicContact CD1-CB 3.69Å; L433-V443 HydrophobicContact CD2-CG2 3.94Å; L433-L459 HydrophobicContact CD2-CD2 3.49Å; L433-L459 VanDerWaalsContact CD2-CD2 3.49Å; L433-M462 HydrophobicContact CB-SD 4.18Å; L433-M462 HydrophobicContact CD2-CE 4.16Å; L433-M462 HydrophobicContact CD2-SD 3.73Å; L433-M462 HydrophobicContact CG-CE 4.14Å; L433-M462 HydrophobicContact CG-SD 3.74Å; L433-L540 HydrophobicContact CD1-CD2 4.11Å; L433-L540 HydrophobicContact CD2-CD1 4.5Å; L433-L540 HydrophobicContact CD2-CD2 3.9Å; L433-L540 HydrophobicContact CG-CD2 4.44Å; L433-Y565 HydrophobicContact CD1-CD2 3.73Å; L433-Y565 HydrophobicContact CD1-CE2 3.53Å; L433-Y565 HydrophobicContact CD1-CG 4.38Å |
| 434 | A | 85.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -26 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y426 V430 S431 V432 R437 M462 | Y426-A434 HydrophobicContact CD2-CB 4.49Å; Y426-A434 HydrophobicContact CE2-CB 4.19Å; V430-A434 VanDerWaalsContact O-CB 3.28Å; V430-A434 WeakPolarHBondContact O-CB 3.44Å; V430-A434 PolarHBondContact O-N 3.14Å; S431-A434 PolarHBondContact O-N 3.2Å; V432-A434 VanDerWaalsContact C-N 3.34Å; V432-A434 PolarHBondContact O-N 3.4Å; A434-R437 WeakPolarHBondContact O-CG 3.38Å; A434-R437 PolarHBondContact O-NE 3.26Å; A434-M462 HydrophobicContact CB-CG 3.83Å; A434-M462 HydrophobicContact CB-SD 3.99Å |
| 435 | Q | 85.6 | Confident | 85.4 | Confident | 160 Ų | 160 | 38.6 Ų | 38.6 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -86.3 | -48.9 | 179.8 | -172.1 | 148 | -5.9 | 0 | 0 | 112.4 | S431 V432 L433 R437 | S431-Q435 PolarHBondContact O-N 3.22Å; V432-Q435 WeakPolarHBondContact O-CB 3.4Å; V432-Q435 PolarHBondContact O-N 2.92Å; L433-Q435 PolarHBondContact O-N 3.4Å; Q435-R437 VanDerWaalsContact C-N 3.32Å; Q435-R437 PolarHBondContact O-N 3.19Å |
| 436 | D | 86 | Confident | 85.8 | Confident | 96 Ų | 96 | 38.6 Ų | 38.6 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.3 | -30.7 | -179.9 | -82.8 | 7.5 | 0 | 0 | 0 | 112.6 | V432 P438 Y565 | V432-D436 PolarHBondContact O-N 3.33Å; D436-P438 VanDerWaalsContact C-CD 3.45Å; D436-Y565 PolarHBondContact OD2-OH 2.82Å |
| 437 | R | 87.2 | Confident | 85.8 | Confident | 120 Ų | 120 | 38 Ų | 38 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | trans | 47.8 | 50.7 | 179.5 | -56.2 | 177.6 | -173.9 | 169.5 | 0.6 | 114 | V412 L433 A434 Q435 | V412-R437 HydrophobicContact CB-CB 4.16Å; V412-R437 HydrophobicContact CG1-CB 4.33Å; V412-R437 VanDerWaalsContact CG2-O 3.27Å; V412-R437 WeakPolarHBondContact CG2-O 3.44Å; L433-R437 PolarHBondContact O-N 3.06Å; A434-R437 WeakPolarHBondContact O-CG 3.38Å; A434-R437 PolarHBondContact O-NE 3.26Å; Q435-R437 VanDerWaalsContact C-N 3.32Å; Q435-R437 PolarHBondContact O-N 3.19Å | ||
| 438 | P | 90.2 | Very high | 85.8 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | trans | -65.8 | 143.1 | 177.3 | 30.6 | -37 | 0 | 0 | 0 | 111.1 | V412 L433 D436 L440 A441 Q538 Y565 | V412-P438 WeakPolarHBondContact CG2-O 3.49Å; L433-P438 HydrophobicContact CD1-CG 3.51Å; D436-P438 VanDerWaalsContact C-CD 3.45Å; P438-L440 VanDerWaalsContact C-N 3.28Å; P438-A441 HydrophobicContact CB-CB 4.31Å; P438-A441 HydrophobicContact CG-CB 3.62Å; P438-Q538 PolarHBondContact O-NE2 2.76Å; P438-Y565 HydrophobicContact CG-CE2 4.05Å | ||
| 439 | S | 91.1 | Very high | 85.9 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -69.3 | -26.5 | 173.9 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | I406 M407 Q538 V539 | I406-S439 PolarHBondContact O-OG 2.98Å; M407-S439 WeakPolarHBondContact CA-OG 3.43Å; S439-Q538 WeakPolarHBondContact O-CA 3.36Å; S439-V539 PolarHBondContact O-N 3.18Å |
| 440 | L | 94.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 127.5 | 174.8 | 179.6 | 63.3 | 0 | 0 | 0 | 109.2 | I406 M407 P438 L529 V539 V562 | I406-L440 HydrophobicContact CG2-CB 4.01Å; M407-L440 HydrophobicContact CG-CB 4.35Å; P438-L440 VanDerWaalsContact C-N 3.28Å; L440-L529 HydrophobicContact CD1-CD2 4.09Å; L440-L529 HydrophobicContact CD2-CD2 4.12Å; L440-V539 WeakPolarHBondContact CA-O 3.25Å; L440-V539 HydrophobicContact CD1-CB 3.74Å; L440-V539 HydrophobicContact CD1-CG1 3.94Å; L440-V562 HydrophobicContact CD2-CG1 4.37Å; L440-V562 HydrophobicContact CD2-CG2 3.65Å; L440-V562 HydrophobicContact CG-CG1 3.97Å; L440-V562 HydrophobicContact CG-CG2 4.16Å |
| 441 | A | 93.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 151.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L433 P438 V539 L540 I541 Y565 | L433-A441 HydrophobicContact CD1-CB 3.69Å; P438-A441 HydrophobicContact CB-CB 4.31Å; P438-A441 HydrophobicContact CG-CB 3.62Å; A441-V539 PolarHBondContact N-O 3.45Å; A441-V539 VanDerWaalsContact N-O 3.12Å; A441-L540 HydrophobicContact CB-CD2 3.99Å; A441-I541 PolarHBondContact O-N 2.87Å; A441-Y565 HydrophobicContact CB-CD2 4.01Å; A441-Y565 HydrophobicContact CB-CE2 3.66Å |
| 442 | I | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.2 | 173.3 | -59.6 | 164.8 | 0 | 0 | 0 | 108.4 | I541 D543 L554 M557 K558 V562 N563 T564 Y565 | I442-I541 CarbonylContact C-O 3.59Å; I442-I541 VanDerWaalsContact CA-O 3.28Å; I442-I541 WeakPolarHBondContact CA-O 3.28Å; I442-D543 HydrophobicContact CG2-CB 4Å; I442-L554 HydrophobicContact CD1-CG 4.16Å; I442-L554 HydrophobicContact CG2-CD2 4.14Å; I442-M557 HydrophobicContact CD1-CB 4.26Å; I442-K558 HydrophobicContact CD1-CG 3.82Å; I442-V562 HydrophobicContact CD1-CB 4.41Å; I442-V562 HydrophobicContact CD1-CG1 4.04Å; I442-V562 HydrophobicContact CG1-CG1 3.96Å; I442-N563 PolarHBondContact N-O 3.44Å; I442-T564 HydrophobicContact CB-CG2 3.66Å; I442-T564 HydrophobicContact CD1-CG2 4.35Å; I442-T564 HydrophobicContact CG2-CG2 3.67Å; I442-T564 CarbonylContact O-C 3.53Å; I442-T564 VanDerWaalsContact O-CA 3.3Å; I442-T564 WeakPolarHBondContact O-CA 3.4Å; I442-Y565 PolarHBondContact O-N 3.28Å |
| 443 | V | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 100.2 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | L433 R455 L459 I541 T542 D543 Y565 W567 | L433-V443 HydrophobicContact CD2-CG2 3.94Å; V443-R455 HydrophobicContact CG1-CG 4.14Å; V443-L459 HydrophobicContact CB-CD1 4.48Å; V443-L459 HydrophobicContact CG2-CD1 4.3Å; V443-L459 HydrophobicContact CG2-CD2 4.06Å; V443-I541 PolarHBondContact N-O 3.36Å; V443-T542 WeakPolarHBondContact O-CA 3.39Å; V443-D543 PolarHBondContact O-N 2.91Å; V443-Y565 CarbonylContact C-O 3.57Å; V443-Y565 WeakPolarHBondContact CA-O 3.13Å; V443-W567 HydrophobicContact CG1-CB 4.27Å |
| 444 | S | 87 | Confident | 85.9 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.1 | -178.2 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | D543 Y565 R566 W567 | S444-D543 CarbonylContact C-O 3.52Å; S444-D543 WeakPolarHBondContact CA-O 3.35Å; S444-D543 PolarHBondContact OG-OD2 2.78Å; S444-Y565 PolarHBondContact N-O 3.43Å; S444-R566 CarbonylContact O-C 3.59Å; S444-R566 WeakPolarHBondContact O-CA 3.47Å; S444-W567 PolarHBondContact O-N 2.76Å |
| 445 | G | 79.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 34 Ų | 34 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 136 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R455 D543 | G445-R455 PolarHBondContact O-NH1 2.95Å; G445-D543 PolarHBondContact N-O 3.42Å |
| 446 | Q | 77.8 | Confident | 86.3 | Confident | 71 Ų | 71 | 26.4 Ų | 26.4 | 33% | 0.332 | 14% | 0.143 | S | C | . | . | trans | -98.5 | 163 | 176.1 | -59.4 | 178.4 | -34.7 | 0 | 0 | 110.7 | W567 Q572 N810 | Q446-W567 WeakPolarHBondContact O-CZ3 3.43Å; Q446-Q572 VanDerWaalsContact CB-OE1 3.23Å; Q446-N810 PolarHBondContact NE2-ND2 3.18Å | ||
| 447 | G | 75 | Confident | 86.4 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | trans | 141.9 | 18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G451 | G447-G451 PolarHBondContact O-N 2.93Š| ||
| 448 | G | 79.8 | Confident | 86.5 | Confident | 13 Ų | 13 | 17.4 Ų | 17.4 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | 63 | -150.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q452 A813 | G448-Q452 WeakPolarHBondContact O-CB 3.32Å; G448-Q452 PolarHBondContact O-N 3.28Å; G448-Q452 VanDerWaalsContact O-N 3.12Å; G448-A813 VanDerWaalsContact CA-O 3.24Å; G448-A813 WeakPolarHBondContact CA-O 3.39Å |
| 449 | A | 82.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R453 N482 V789 | A449-R453 PolarHBondContact O-N 3.13Å; A449-N482 PolarHBondContact O-ND2 2.66Å; A449-V789 HydrophobicContact CB-CG1 3.65Å |
| 450 | A | 81.2 | Confident | 86.6 | Confident | 48 Ų | 48 | 16.3 Ų | 16.3 | 40% | 0.397 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -67.7 | -47.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q452 R453 E454 | A450-Q452 VanDerWaalsContact C-N 3.28Å; A450-Q452 PolarHBondContact O-N 2.74Å; A450-R453 PolarHBondContact O-N 3.22Å; A450-R453 VanDerWaalsContact O-N 3.14Å; A450-E454 PolarHBondContact O-N 3.03Å |
| 451 | G | 83.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.3 | -32.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G447 R455 | G447-G451 PolarHBondContact O-N 2.93Å; G451-R455 VanDerWaalsContact O-CB 3.23Å; G451-R455 WeakPolarHBondContact O-CB 3.24Å; G451-R455 PolarHBondContact O-N 3.21Å |
| 452 | Q | 85.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 170.2 | -92.5 | 162.4 | 13.5 | 0 | 0 | 112.2 | G448 A450 E454 V456 S544 | G448-Q452 WeakPolarHBondContact O-CB 3.32Å; G448-Q452 PolarHBondContact O-N 3.28Å; G448-Q452 VanDerWaalsContact O-N 3.12Å; A450-Q452 VanDerWaalsContact C-N 3.28Å; A450-Q452 PolarHBondContact O-N 2.74Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; Q452-E454 PolarHBondContact O-N 3.33Å; Q452-V456 WeakPolarHBondContact O-CB 3.38Å; Q452-V456 VanDerWaalsContact O-CG2 3.31Å; Q452-V456 WeakPolarHBondContact O-CG2 3.35Å; Q452-V456 PolarHBondContact O-N 3.07Å; Q452-S544 PolarHBondContact NE2-OG 3.49Å |
| 453 | R | 87.5 | Confident | 85.9 | Confident | 39 Ų | 39 | 18 Ų | 18 | 15% | 0.147 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 178.5 | -74.2 | -176.3 | -64.7 | -169 | 11.1 | 111.7 | A449 A450 V456 A457 N482 L483 D791 | A449-R453 PolarHBondContact O-N 3.13Å; A450-R453 PolarHBondContact O-N 3.22Å; A450-R453 VanDerWaalsContact O-N 3.14Å; R453-V456 PolarHBondContact O-N 3.47Å; R453-A457 VanDerWaalsContact O-CB 3.23Å; R453-A457 WeakPolarHBondContact O-CB 3.36Å; R453-A457 PolarHBondContact O-N 3.42Å; R453-N482 VanDerWaalsContact CD-O 3.27Å; R453-N482 WeakPolarHBondContact CD-O 3.46Å; R453-N482 WeakPolarHBondContact CD-OD1 3.13Å; R453-N482 PolarHBondContact NE-OD1 2.78Å; R453-N482 PolarHBondContact NH1-OD1 2.89Å; R453-L483 HydrophobicContact CG-CD2 4.27Å; R453-D791 IonicContact CZ-OD1 3.86Å; R453-D791 IonicContact CZ-OD2 2.66Å; R453-D791 IonicContact NH1-OD1 3.97Å; R453-D791 IonicContact NH1-OD2 3.57Å; R453-D791 PolarHBondContact NH1-OD2 3.19Å; R453-D791 VanDerWaalsContact NH1-OD2 3.08Å; R453-D791 IonicContact NH2-OD1 2.83Å; R453-D791 PolarHBondContact NH2-OD1 2.75Å; R453-D791 IonicContact NH2-OD2 3.27Å; R453-D791 PolarHBondContact NH2-OD2 2.73Å |
| 454 | E | 87 | Confident | 85.7 | Confident | 84 Ų | 84 | 22.6 Ų | 22.6 | 39% | 0.393 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.9 | -46.7 | -177.6 | -165.4 | 166.7 | -150.2 | 0 | 0 | 112 | A450 Q452 V456 A457 E458 W567 | A450-E454 PolarHBondContact O-N 3.03Å; Q452-E454 VanDerWaalsContact C-N 3.35Å; Q452-E454 PolarHBondContact O-N 3.33Å; E454-V456 PolarHBondContact O-N 2.85Å; E454-A457 PolarHBondContact O-N 3.49Å; E454-E458 WeakPolarHBondContact O-CG 3.17Å; E454-E458 PolarHBondContact O-N 2.89Å; E454-W567 HydrophobicContact CB-CH2 4.32Å; E454-W567 HydrophobicContact CB-CZ2 4.15Å; E454-W567 HydrophobicContact CG-CZ2 4.11Å |
| 455 | R | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.2 | -179.4 | -175.3 | 61.5 | -132.4 | 13 | 112 | V443 G445 G451 A457 E458 L459 D515 T542 W567 | V443-R455 HydrophobicContact CG1-CG 4.14Å; G445-R455 PolarHBondContact O-NH1 2.95Å; G451-R455 VanDerWaalsContact O-CB 3.23Å; G451-R455 WeakPolarHBondContact O-CB 3.24Å; G451-R455 PolarHBondContact O-N 3.21Å; R455-A457 VanDerWaalsContact C-N 3.33Å; R455-A457 PolarHBondContact O-N 3.46Å; R455-E458 PolarHBondContact O-N 3.31Å; R455-L459 HydrophobicContact CG-CD1 4.48Å; R455-L459 WeakPolarHBondContact O-CG 3.5Å; R455-L459 PolarHBondContact O-N 2.92Å; R455-L459 VanDerWaalsContact O-N 3.12Å; R455-D515 IonicContact NH2-OD1 3.49Å; R455-T542 PolarHBondContact NH2-OG1 3.17Å; R455-W567 HydrophobicContact CB-CD2 4.22Å; R455-W567 HydrophobicContact CB-CZ2 4.38Å; R455-W567 HydrophobicContact CG-CD2 4.44Å; R455-W567 HydrophobicContact CG-CG 4.39Å |
| 456 | V | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | Q452 R453 E454 E458 L459 V460 I472 L483 L489 I513 T542 | Q452-V456 WeakPolarHBondContact O-CB 3.38Å; Q452-V456 VanDerWaalsContact O-CG2 3.31Å; Q452-V456 WeakPolarHBondContact O-CG2 3.35Å; Q452-V456 PolarHBondContact O-N 3.07Å; R453-V456 PolarHBondContact O-N 3.47Å; E454-V456 PolarHBondContact O-N 2.85Å; V456-E458 PolarHBondContact O-N 2.99Å; V456-L459 PolarHBondContact O-N 3.1Å; V456-V460 HydrophobicContact CG1-CG2 4.39Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.47Å; V456-V460 PolarHBondContact O-N 3.28Å; V456-I472 HydrophobicContact CG1-CD1 4.04Å; V456-I472 HydrophobicContact CG1-CG2 4.36Å; V456-L483 HydrophobicContact CB-CD2 4Å; V456-L483 HydrophobicContact CG1-CD2 4.09Å; V456-L483 HydrophobicContact CG2-CD2 4.09Å; V456-L489 HydrophobicContact CB-CD1 4.49Å; V456-L489 HydrophobicContact CG1-CD1 4.17Å; V456-L489 HydrophobicContact CG1-CD2 4.13Å; V456-I513 HydrophobicContact CG1-CG2 4.37Å; V456-T542 HydrophobicContact CG2-CG2 4.41Å |
| 457 | A | 89.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R453 E454 R455 V460 M461 R488 L489 | R453-A457 VanDerWaalsContact O-CB 3.23Å; R453-A457 WeakPolarHBondContact O-CB 3.36Å; R453-A457 PolarHBondContact O-N 3.42Å; E454-A457 PolarHBondContact O-N 3.49Å; R455-A457 VanDerWaalsContact C-N 3.33Å; R455-A457 PolarHBondContact O-N 3.46Å; A457-V460 PolarHBondContact O-N 2.96Å; A457-M461 PolarHBondContact O-N 2.78Å; A457-R488 HydrophobicContact CB-CB 4.44Å; A457-L489 HydrophobicContact CB-CD1 4.46Å; A457-L489 HydrophobicContact CB-CD2 4.35Å; A457-L489 HydrophobicContact CB-CG 4.37Å |
| 458 | E | 89 | Confident | 87.1 | Confident | 26 Ų | 26 | 20.7 Ų | 20.7 | 12% | 0.121 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.1 | -75 | -167.4 | 147.4 | 0 | 0 | 111.9 | S427 V430 E454 R455 V456 M461 M462 W567 | S427-E458 WeakPolarHBondContact CB-OE1 3.35Å; S427-E458 WeakPolarHBondContact CB-OE2 3.33Å; S427-E458 PolarHBondContact N-OE1 3.08Å; S427-E458 PolarHBondContact OG-OE2 2.75Å; V430-E458 HydrophobicContact CG1-CB 4.41Å; V430-E458 HydrophobicContact CG2-CB 4.05Å; V430-E458 WeakPolarHBondContact CG2-OE2 3.48Å; E454-E458 WeakPolarHBondContact O-CG 3.17Å; E454-E458 PolarHBondContact O-N 2.89Å; R455-E458 PolarHBondContact O-N 3.31Å; V456-E458 PolarHBondContact O-N 2.99Å; E458-M461 PolarHBondContact O-N 2.91Å; E458-M462 PolarHBondContact O-N 3.06Å; E458-W567 PolarHBondContact OE2-NE1 3.49Å |
| 459 | L | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.8 | -64.6 | 175.9 | 0 | 0 | 0 | 112.3 | V430 L433 V443 R455 V456 M462 A463 I513 L540 T542 | V430-L459 HydrophobicContact CG2-CD2 4.09Å; L433-L459 HydrophobicContact CD2-CD2 3.49Å; L433-L459 VanDerWaalsContact CD2-CD2 3.49Å; V443-L459 HydrophobicContact CB-CD1 4.48Å; V443-L459 HydrophobicContact CG2-CD1 4.3Å; V443-L459 HydrophobicContact CG2-CD2 4.06Å; R455-L459 HydrophobicContact CG-CD1 4.48Å; R455-L459 WeakPolarHBondContact O-CG 3.5Å; R455-L459 PolarHBondContact O-N 2.92Å; R455-L459 VanDerWaalsContact O-N 3.12Å; V456-L459 PolarHBondContact O-N 3.1Å; L459-M462 WeakPolarHBondContact O-CB 3.41Å; L459-M462 PolarHBondContact O-N 2.99Å; L459-A463 PolarHBondContact O-N 2.88Å; L459-I513 HydrophobicContact CB-CD1 3.66Å; L459-I513 HydrophobicContact CB-CG1 4.37Å; L459-I513 HydrophobicContact CD1-CG2 4.17Å; L459-L540 HydrophobicContact CD2-CD1 4.3Å; L459-T542 HydrophobicContact CD1-CG2 3.6Å |
| 460 | V | 91.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.036 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.2 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | V456 A457 M462 A463 R464 V470 I472 L489 E492 I513 | V456-V460 HydrophobicContact CG1-CG2 4.39Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.47Å; V456-V460 PolarHBondContact O-N 3.28Å; A457-V460 PolarHBondContact O-N 2.96Å; V460-M462 VanDerWaalsContact C-N 3.32Å; V460-M462 PolarHBondContact O-N 2.86Å; V460-A463 PolarHBondContact O-N 3.34Å; V460-R464 HydrophobicContact CG1-CG 4.28Å; V460-R464 WeakPolarHBondContact O-CB 3.21Å; V460-R464 VanDerWaalsContact O-CG 3.26Å; V460-R464 WeakPolarHBondContact O-CG 3.26Å; V460-R464 PolarHBondContact O-N 2.84Å; V460-V470 HydrophobicContact CG1-CG2 4.39Å; V460-V470 HydrophobicContact CG2-CG1 3.97Å; V460-I472 HydrophobicContact CG2-CD1 3.79Å; V460-I472 HydrophobicContact CG2-CG1 4.41Å; V460-L489 HydrophobicContact CB-CD2 4.11Å; V460-L489 HydrophobicContact CG1-CD2 4.44Å; V460-L489 HydrophobicContact CG2-CD2 3.56Å; V460-E492 HydrophobicContact CG1-CG 4.23Å; V460-I513 HydrophobicContact CG2-CD1 3.65Å |
| 461 | M | 87.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 24.1 Ų | 24.1 | 19% | 0.187 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 174.9 | -99.2 | -170.5 | 75.7 | 0 | 0 | 112.1 | R422 T423 Y426 A457 E458 R464 E465 | R422-M461 HydrophobicContact CB-CE 4.35Å; T423-M461 WeakPolarHBondContact OG1-CE 3.38Å; Y426-M461 HydrophobicContact CE1-CB 4.19Å; Y426-M461 HydrophobicContact CE1-CE 4.26Å; Y426-M461 PolarHBondContact OH-O 3.37Å; A457-M461 PolarHBondContact O-N 2.78Å; E458-M461 PolarHBondContact O-N 2.91Å; M461-R464 PolarHBondContact O-N 3.35Å; M461-E465 WeakPolarHBondContact O-CB 3.35Å; M461-E465 PolarHBondContact O-N 2.88Å |
| 462 | M | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.6 | -174.4 | -163.9 | 98.8 | 0 | 0 | 111.5 | Y426 V430 L433 A434 E458 L459 V460 R464 E465 Q466 L540 | Y426-M462 HydrophobicContact CE2-CB 4.46Å; Y426-M462 WeakPolarHBondContact OH-CA 3.24Å; V430-M462 HydrophobicContact CG1-CB 4.07Å; V430-M462 HydrophobicContact CG1-CG 4.4Å; V430-M462 HydrophobicContact CG1-SD 4.28Å; L433-M462 HydrophobicContact CB-SD 4.18Å; L433-M462 HydrophobicContact CD2-CE 4.16Å; L433-M462 HydrophobicContact CD2-SD 3.73Å; L433-M462 HydrophobicContact CG-CE 4.14Å; L433-M462 HydrophobicContact CG-SD 3.74Å; A434-M462 HydrophobicContact CB-CG 3.83Å; A434-M462 HydrophobicContact CB-SD 3.99Å; E458-M462 PolarHBondContact O-N 3.06Å; L459-M462 WeakPolarHBondContact O-CB 3.41Å; L459-M462 PolarHBondContact O-N 2.99Å; V460-M462 VanDerWaalsContact C-N 3.32Å; V460-M462 PolarHBondContact O-N 2.86Å; M462-R464 PolarHBondContact O-N 3.31Å; M462-E465 PolarHBondContact O-N 2.94Å; M462-Q466 WeakPolarHBondContact O-CG 3.29Å; M462-Q466 PolarHBondContact O-N 3.09Å; M462-Q466 VanDerWaalsContact O-N 3.08Å; M462-L540 HydrophobicContact CE-CD1 4.02Å |
| 463 | A | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | L459 V460 Q466 G467 R468 V470 T511 | L459-A463 PolarHBondContact O-N 2.88Å; V460-A463 PolarHBondContact O-N 3.34Å; A463-Q466 CarbonylContact O-C 3.46Å; A463-Q466 PolarHBondContact O-N 2.79Å; A463-Q466 VanDerWaalsContact O-N 3.15Å; A463-G467 PolarHBondContact O-N 2.93Å; A463-R468 WeakPolarHBondContact O-CB 3.45Å; A463-R468 PolarHBondContact O-N 2.89Å; A463-V470 HydrophobicContact CB-CG2 3.53Å; A463-T511 HydrophobicContact CB-CG2 4.13Å |
| 464 | R | 87.5 | Confident | 89.1 | Confident | 95 Ų | 95 | 22.1 Ų | 22.1 | 36% | 0.358 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65 | -39.7 | 175.9 | -70.9 | -69.7 | -170.2 | 167.1 | -5.7 | 112.6 | S419 V420 V460 M461 M462 Q466 G467 V470 E492 | S419-R464 WeakPolarHBondContact CA-O 3.36Å; V420-R464 HydrophobicContact CB-CB 4.31Å; V420-R464 HydrophobicContact CG2-CB 4.31Å; V420-R464 PolarHBondContact N-O 2.77Å; V460-R464 HydrophobicContact CG1-CG 4.28Å; V460-R464 WeakPolarHBondContact O-CB 3.21Å; V460-R464 VanDerWaalsContact O-CG 3.26Å; V460-R464 WeakPolarHBondContact O-CG 3.26Å; V460-R464 PolarHBondContact O-N 2.84Å; M461-R464 PolarHBondContact O-N 3.35Å; M462-R464 PolarHBondContact O-N 3.31Å; R464-Q466 PolarHBondContact O-N 3.01Å; R464-G467 PolarHBondContact O-N 2.92Å; R464-V470 HydrophobicContact CG-CG2 4.48Å; R464-E492 IonicContact CZ-OE1 3.25Å; R464-E492 VanDerWaalsContact CZ-OE1 3.25Å; R464-E492 IonicContact NE-OE1 3.02Å; R464-E492 PolarHBondContact NE-OE1 2.7Å; R464-E492 IonicContact NH2-OE1 2.84Å; R464-E492 PolarHBondContact NH2-OE1 2.99Å; R464-E492 IonicContact NH2-OE2 3.75Å; R464-E492 PolarHBondContact NH2-OE2 2.79Å |
| 465 | E | 87 | Confident | 88.9 | Confident | 56 Ų | 56 | 18.3 Ų | 18.3 | 26% | 0.262 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 172.9 | -170.6 | -161.1 | -169.6 | 0 | 0 | 111.3 | S419 V420 R422 Y426 M461 M462 G467 | S419-E465 WeakPolarHBondContact CB-O 3.05Å; V420-E465 WeakPolarHBondContact O-CA 3.5Å; R422-E465 HydrophobicContact CG-CG 4.1Å; R422-E465 IonicContact CZ-OE1 3.23Å; R422-E465 VanDerWaalsContact CZ-OE1 3.23Å; R422-E465 IonicContact CZ-OE2 3.1Å; R422-E465 IonicContact NE-OE1 2.91Å; R422-E465 PolarHBondContact NE-OE1 2.94Å; R422-E465 IonicContact NE-OE2 2.73Å; R422-E465 PolarHBondContact NE-OE2 3.07Å; R422-E465 VanDerWaalsContact NH2-CD 3.32Å; R422-E465 IonicContact NH2-OE1 3.16Å; R422-E465 PolarHBondContact NH2-OE1 3.05Å; R422-E465 VanDerWaalsContact NH2-OE1 3.16Å; R422-E465 IonicContact NH2-OE2 2.68Å; R422-E465 PolarHBondContact NH2-OE2 2.69Å; Y426-E465 PolarHBondContact OH-OE2 3.06Å; M461-E465 WeakPolarHBondContact O-CB 3.35Å; M461-E465 PolarHBondContact O-N 2.88Å; M462-E465 PolarHBondContact O-N 2.94Å; E465-G467 PolarHBondContact O-N 2.86Å |
| 466 | Q | 87.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.5 | 174.4 | -65.8 | 177.3 | 6.2 | 0 | 0 | 113.4 | V414 H415 M462 A463 R464 R468 | V414-Q466 WeakPolarHBondContact CA-O 3.14Å; V414-Q466 HydrophobicContact CG2-CB 4.3Å; V414-Q466 HydrophobicContact CG2-CG 4.2Å; H415-Q466 PolarHBondContact N-O 2.84Å; M462-Q466 WeakPolarHBondContact O-CG 3.29Å; M462-Q466 PolarHBondContact O-N 3.09Å; M462-Q466 VanDerWaalsContact O-N 3.08Å; A463-Q466 CarbonylContact O-C 3.46Å; A463-Q466 PolarHBondContact O-N 2.79Å; A463-Q466 VanDerWaalsContact O-N 3.15Å; R464-Q466 PolarHBondContact O-N 3.01Å; Q466-R468 VanDerWaalsContact C-N 3.3Å; Q466-R468 HydrophobicContact CB-CG 4.08Å |
| 467 | G | 85.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 25.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A463 R464 E465 | A463-G467 PolarHBondContact O-N 2.93Å; R464-G467 PolarHBondContact O-N 2.92Å; E465-G467 PolarHBondContact O-N 2.86Å |
| 468 | R | 88.5 | Confident | 87.5 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | trans | -100.1 | 139.4 | -178.3 | -59.3 | 176.9 | 70 | 93.9 | -0.9 | 110.1 | T413 A463 Q466 G509 S510 T511 | T413-R468 PolarHBondContact O-NH1 2.89Å; T413-R468 VanDerWaalsContact O-NH1 3.15Å; A463-R468 WeakPolarHBondContact O-CB 3.45Å; A463-R468 PolarHBondContact O-N 2.89Å; Q466-R468 VanDerWaalsContact C-N 3.3Å; Q466-R468 HydrophobicContact CB-CG 4.08Å; R468-G509 PolarHBondContact NE-O 3.03Å; R468-G509 PolarHBondContact NH2-O 2.78Å; R468-G509 VanDerWaalsContact NH2-O 3.15Å; R468-S510 PolarHBondContact NH2-O 3.21Å; R468-T511 WeakPolarHBondContact CD-OG1 3.37Å; R468-T511 PolarHBondContact NE-OG1 3.47Å | ||
| 469 | E | 88.2 | Confident | 87.2 | Confident | 118 Ų | 118 | 29.6 Ų | 29.6 | 55% | 0.551 | 13% | 0.129 | S | C | * | . | trans | -72.6 | 146 | 171.5 | -160.2 | 174.8 | -148.1 | 0 | 0 | 109.4 | S510 T511 | E469-S510 CarbonylContact O-C 3.55Å; E469-S510 WeakPolarHBondContact O-CA 3.35Å; E469-S510 VanDerWaalsContact O-CB 3.31Å; E469-S510 WeakPolarHBondContact O-CB 3.32Å; E469-T511 PolarHBondContact O-N 3.43Å | ||
| 470 | V | 90.2 | Very high | 87 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.4 | -172.3 | -169.4 | 0 | 0 | 0 | 0 | 111 | V460 A463 R464 I472 T511 I513 | V460-V470 HydrophobicContact CG1-CG2 4.39Å; V460-V470 HydrophobicContact CG2-CG1 3.97Å; A463-V470 HydrophobicContact CB-CG2 3.53Å; R464-V470 HydrophobicContact CG-CG2 4.48Å; V470-I472 HydrophobicContact CG1-CG1 4.19Å; V470-T511 WeakPolarHBondContact CA-O 3.25Å; V470-I513 HydrophobicContact CG1-CD1 3.74Å; V470-I513 HydrophobicContact CG1-CG1 4.29Å |
| 471 | Q | 91 | Very high | 86.5 | Confident | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.8 | 167.4 | -69.2 | -173.6 | -10.7 | 0 | 0 | 109.1 | L493 A505 T507 T511 V512 I513 | Q471-L493 HydrophobicContact CG-CD2 4.12Å; Q471-A505 PolarHBondContact NE2-O 3.1Å; Q471-T507 PolarHBondContact NE2-OG1 3.46Å; Q471-T511 PolarHBondContact N-O 2.91Å; Q471-V512 HydrophobicContact CB-CG2 4.28Å; Q471-V512 CarbonylContact O-C 3.53Å; Q471-V512 WeakPolarHBondContact O-CA 3.47Å; Q471-I513 PolarHBondContact O-N 2.96Å |
| 472 | I | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.6 | -178.3 | -54.1 | 173.2 | 0 | 0 | 0 | 108.6 | V456 V460 V470 L483 L489 E492 L493 I494 T495 I513 | V456-I472 HydrophobicContact CG1-CD1 4.04Å; V456-I472 HydrophobicContact CG1-CG2 4.36Å; V460-I472 HydrophobicContact CG2-CD1 3.79Å; V460-I472 HydrophobicContact CG2-CG1 4.41Å; V470-I472 HydrophobicContact CG1-CG1 4.19Å; I472-L483 HydrophobicContact CG2-CD1 4.15Å; I472-L489 HydrophobicContact CD1-CD2 3.95Å; I472-E492 HydrophobicContact CD1-CB 4.04Å; I472-E492 HydrophobicContact CD1-CG 4.38Å; I472-L493 PolarHBondContact N-O 2.77Å; I472-I494 HydrophobicContact CB-CB 4.5Å; I472-I494 HydrophobicContact CB-CG1 4.07Å; I472-I494 HydrophobicContact CB-CG2 4.4Å; I472-I494 HydrophobicContact CD1-CG1 4.08Å; I472-I494 HydrophobicContact CG2-CG2 4.31Å; I472-I494 CarbonylContact O-C 3.59Å; I472-I494 WeakPolarHBondContact O-CA 2.95Å; I472-T495 PolarHBondContact O-N 2.87Å; I472-T495 PolarHBondContact O-OG1 2.83Å; I472-I513 CarbonylContact C-O 3.6Å; I472-I513 WeakPolarHBondContact CA-O 3.4Å |
| 473 | I | 91.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.2 | 173.5 | -54.4 | -179.5 | 0 | 0 | 0 | 107.7 | R497 L500 M504 V512 I513 V514 D515 L528 | I473-R497 HydrophobicContact CG2-CG 4Å; I473-L500 HydrophobicContact CD1-CD1 4.38Å; I473-L500 HydrophobicContact CD1-CD2 3.83Å; I473-L500 HydrophobicContact CD1-CG 4.28Å; I473-L500 HydrophobicContact CG2-CD1 4.4Å; I473-M504 HydrophobicContact CD1-CE 3.86Å; I473-M504 HydrophobicContact CD1-SD 3.81Å; I473-M504 HydrophobicContact CG1-CE 3.96Å; I473-M504 HydrophobicContact CG1-SD 4.43Å; I473-V512 HydrophobicContact CD1-CG1 3.73Å; I473-V512 HydrophobicContact CG1-CG1 4.05Å; I473-I513 PolarHBondContact N-O 2.82Å; I473-V514 HydrophobicContact CB-CG2 4.47Å; I473-V514 HydrophobicContact CD1-CG2 4.37Å; I473-D515 PolarHBondContact O-N 3.44Å; I473-L528 HydrophobicContact CD1-CD1 3.77Å |
| 474 | A | 88.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 138.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D476 Q480 L483 I494 T495 R497 | A474-D476 PolarHBondContact O-N 3.14Å; A474-Q480 HydrophobicContact CB-CB 3.85Å; A474-L483 HydrophobicContact CB-CD1 4.37Å; A474-I494 HydrophobicContact CB-CG2 3.91Å; A474-T495 PolarHBondContact N-O 3.41Å; A474-R497 PolarHBondContact O-N 3.29Å |
| 475 | A | 82.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -65.5 | -35.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R497 Q516 K519 | A475-R497 VanDerWaalsContact O-CZ 3.3Å; A475-R497 PolarHBondContact O-NE 3.23Å; A475-R497 PolarHBondContact O-NH2 3.38Å; A475-Q516 HydrophobicContact CB-CB 3.86Å; A475-Q516 HydrophobicContact CB-CG 4.28Å; A475-K519 HydrophobicContact CB-CD 4.39Å |
| 476 | D | 79.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -149.2 | 169.5 | 177.3 | 62.3 | 48.3 | 0 | 0 | 0 | 111.1 | A474 R478 S479 Q480 R814 | A474-D476 PolarHBondContact O-N 3.14Å; D476-R478 PolarHBondContact O-N 3.42Å; D476-R478 WeakPolarHBondContact OD1-CA 3.2Å; D476-R478 WeakPolarHBondContact OD1-CB 3.23Å; D476-R478 PolarHBondContact OD1-N 3.49Å; D476-S479 PolarHBondContact O-N 3.21Å; D476-S479 PolarHBondContact OD1-N 3.49Å; D476-Q480 PolarHBondContact O-N 3.38Å; D476-R814 IonicContact OD2-CZ 2.6Å; D476-R814 IonicContact OD2-NH1 3.39Å; D476-R814 PolarHBondContact OD2-NH1 3.41Å; D476-R814 IonicContact OD2-NH2 3.08Å; D476-R814 PolarHBondContact OD2-NH2 3.33Å; D476-R814 VanDerWaalsContact OD2-NH2 3.14Å |
| 477 | R | 79 | Confident | 84.9 | Confident | 156 Ų | 156 | 49 Ų | 49 | 59% | 0.589 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.9 | -26.3 | -177.6 | -170.2 | 176.8 | 180 | 137.5 | -3.3 | 112.5 | Q480 M481 | R477-Q480 WeakPolarHBondContact O-CB 3.49Å; R477-M481 WeakPolarHBondContact O-CG 3.35Å; R477-M481 PolarHBondContact O-N 2.87Å |
| 478 | R | 80.6 | Confident | 84.7 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.2 | -41.6 | -179.7 | -123.4 | 173.4 | -154.4 | -169.5 | -2.2 | 110.9 | D476 Q480 M481 N482 G739 E783 H787 S788 V789 | D476-R478 PolarHBondContact O-N 3.42Å; D476-R478 WeakPolarHBondContact OD1-CA 3.2Å; D476-R478 WeakPolarHBondContact OD1-CB 3.23Å; D476-R478 PolarHBondContact OD1-N 3.49Å; R478-Q480 VanDerWaalsContact C-N 3.29Å; R478-Q480 PolarHBondContact O-N 3.39Å; R478-M481 PolarHBondContact O-N 2.75Å; R478-M481 VanDerWaalsContact O-N 3.16Å; R478-N482 WeakPolarHBondContact O-CB 3.2Å; R478-N482 PolarHBondContact O-N 2.67Å; R478-G739 PolarHBondContact NH2-O 2.84Å; R478-E783 IonicContact NH1-OE2 2.73Å; R478-H787 WeakPolarHBondContact CD-O 3.43Å; R478-H787 PolarHBondContact NH1-ND1 3.41Å; R478-H787 PolarHBondContact NH1-O 3.14Å; R478-S788 VanDerWaalsContact NH1-CA 3.26Å; R478-S788 PolarHBondContact NH1-OG 3.35Å; R478-V789 HydrophobicContact CB-CG2 3.93Å; R478-V789 HydrophobicContact CG-CG2 4.28Å |
| 479 | S | 82.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 167 | 150.1 | 0 | 0 | 0 | 0 | 110.4 | D476 M481 N482 L483 D515 | D476-S479 PolarHBondContact O-N 3.21Å; D476-S479 PolarHBondContact OD1-N 3.49Å; S479-M481 VanDerWaalsContact C-N 3.32Å; S479-M481 PolarHBondContact O-N 2.99Å; S479-N482 WeakPolarHBondContact O-CB 3.48Å; S479-N482 PolarHBondContact O-N 2.88Å; S479-N482 VanDerWaalsContact O-N 3.16Å; S479-L483 WeakPolarHBondContact O-CB 3.38Å; S479-L483 VanDerWaalsContact O-CG 3.32Å; S479-L483 WeakPolarHBondContact O-CG 3.47Å; S479-L483 PolarHBondContact O-N 2.7Å; S479-D515 PolarHBondContact OG-OD2 3.42Å |
| 480 | Q | 85.8 | Confident | 83.8 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 174.7 | -176.8 | -178.5 | 26.3 | 0 | 0 | 112.4 | A474 D476 R477 R478 K484 I494 | A474-Q480 HydrophobicContact CB-CB 3.85Å; D476-Q480 PolarHBondContact O-N 3.38Å; R477-Q480 WeakPolarHBondContact O-CB 3.49Å; R478-Q480 VanDerWaalsContact C-N 3.29Å; R478-Q480 PolarHBondContact O-N 3.39Å; Q480-K484 WeakPolarHBondContact O-CB 3.35Å; Q480-K484 WeakPolarHBondContact O-CG 3.22Å; Q480-K484 PolarHBondContact O-N 3.05Å; Q480-K484 VanDerWaalsContact O-N 3.12Å; Q480-I494 HydrophobicContact CB-CG2 4.29Å; Q480-I494 HydrophobicContact CG-CB 4.34Å; Q480-I494 HydrophobicContact CG-CG2 3.73Å; Q480-I494 PolarHBondContact NE2-O 3.19Å |
| 481 | M | 82.4 | Confident | 83.1 | Confident | 117 Ų | 117 | 55.6 Ų | 55.6 | 58% | 0.576 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 176 | -72.8 | -115.9 | 150.3 | 0 | 0 | 112 | R477 R478 S479 K484 Q485 | R477-M481 WeakPolarHBondContact O-CG 3.35Å; R477-M481 PolarHBondContact O-N 2.87Å; R478-M481 PolarHBondContact O-N 2.75Å; R478-M481 VanDerWaalsContact O-N 3.16Å; S479-M481 VanDerWaalsContact C-N 3.32Å; S479-M481 PolarHBondContact O-N 2.99Å; M481-K484 PolarHBondContact O-N 2.93Å; M481-Q485 WeakPolarHBondContact O-CG 3.21Å; M481-Q485 PolarHBondContact O-N 3.04Å |
| 482 | N | 85.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 176.9 | -175.6 | 33.1 | 0 | 0 | 0 | 111.3 | A449 R453 R478 S479 K484 Q485 V789 | A449-N482 PolarHBondContact O-ND2 2.66Å; R453-N482 VanDerWaalsContact CD-O 3.27Å; R453-N482 WeakPolarHBondContact CD-O 3.46Å; R453-N482 WeakPolarHBondContact CD-OD1 3.13Å; R453-N482 PolarHBondContact NE-OD1 2.78Å; R453-N482 PolarHBondContact NH1-OD1 2.89Å; R478-N482 WeakPolarHBondContact O-CB 3.2Å; R478-N482 PolarHBondContact O-N 2.67Å; S479-N482 WeakPolarHBondContact O-CB 3.48Å; S479-N482 PolarHBondContact O-N 2.88Å; S479-N482 VanDerWaalsContact O-N 3.16Å; N482-K484 VanDerWaalsContact C-N 3.26Å; N482-K484 PolarHBondContact O-N 3.47Å; N482-Q485 WeakPolarHBondContact O-CB 3.41Å; N482-Q485 PolarHBondContact O-N 2.8Å; N482-Q485 VanDerWaalsContact O-N 3.08Å; N482-V789 HydrophobicContact CB-CG1 3.76Å |
| 483 | L | 86.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 178.1 | -66.8 | 170.5 | 0 | 0 | 0 | 111.9 | R453 V456 I472 A474 S479 Q485 D486 L489 I494 D515 | R453-L483 HydrophobicContact CG-CD2 4.27Å; V456-L483 HydrophobicContact CB-CD2 4Å; V456-L483 HydrophobicContact CG1-CD2 4.09Å; V456-L483 HydrophobicContact CG2-CD2 4.09Å; I472-L483 HydrophobicContact CG2-CD1 4.15Å; A474-L483 HydrophobicContact CB-CD1 4.37Å; S479-L483 WeakPolarHBondContact O-CB 3.38Å; S479-L483 VanDerWaalsContact O-CG 3.32Å; S479-L483 WeakPolarHBondContact O-CG 3.47Å; S479-L483 PolarHBondContact O-N 2.7Å; L483-Q485 VanDerWaalsContact C-N 3.27Å; L483-Q485 PolarHBondContact O-N 3.48Å; L483-D486 PolarHBondContact O-N 2.83Å; L483-L489 HydrophobicContact CB-CD1 4.25Å; L483-L489 HydrophobicContact CD2-CD1 3.87Å; L483-L489 VanDerWaalsContact O-CB 3.28Å; L483-L489 WeakPolarHBondContact O-CB 3.32Å; L483-I494 HydrophobicContact CB-CD1 4.02Å; L483-D515 HydrophobicContact CD1-CB 4.1Å |
| 484 | K | 86.1 | Confident | 82 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -18.9 | 176.7 | -81.2 | -176.4 | 176.7 | -174.4 | 0 | 114.9 | Q480 M481 N482 D486 S490 I494 | Q480-K484 WeakPolarHBondContact O-CB 3.35Å; Q480-K484 WeakPolarHBondContact O-CG 3.22Å; Q480-K484 PolarHBondContact O-N 3.05Å; Q480-K484 VanDerWaalsContact O-N 3.12Å; M481-K484 PolarHBondContact O-N 2.93Å; N482-K484 VanDerWaalsContact C-N 3.26Å; N482-K484 PolarHBondContact O-N 3.47Å; K484-D486 PolarHBondContact O-N 2.79Å; K484-S490 WeakPolarHBondContact O-CB 3.14Å; K484-I494 HydrophobicContact CG-CD1 3.73Å |
| 485 | Q | 81.2 | Confident | 81.8 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.9 | 177.2 | -71 | 174.3 | -7.9 | 0 | 0 | 112.4 | M481 N482 L483 | M481-Q485 WeakPolarHBondContact O-CG 3.21Å; M481-Q485 PolarHBondContact O-N 3.04Å; N482-Q485 WeakPolarHBondContact O-CB 3.41Å; N482-Q485 PolarHBondContact O-N 2.8Å; N482-Q485 VanDerWaalsContact O-N 3.08Å; L483-Q485 VanDerWaalsContact C-N 3.27Å; L483-Q485 PolarHBondContact O-N 3.48Å |
| 486 | D | 79.6 | Confident | 81.7 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -81.4 | 123.1 | 174.9 | -163.6 | -41.9 | 0 | 0 | 0 | 110 | L483 K484 R488 L489 S490 | L483-D486 PolarHBondContact O-N 2.83Å; K484-D486 PolarHBondContact O-N 2.79Å; D486-R488 PolarHBondContact O-N 3.24Å; D486-R488 VanDerWaalsContact O-N 3.17Å; D486-R488 VanDerWaalsContact OD1-CB 3.26Å; D486-R488 WeakPolarHBondContact OD1-CB 3.49Å; D486-R488 WeakPolarHBondContact OD1-CG 3.25Å; D486-R488 IonicContact OD1-CZ 3.06Å; D486-R488 PolarHBondContact OD1-N 3.08Å; D486-R488 IonicContact OD1-NE 2.69Å; D486-R488 PolarHBondContact OD1-NE 3.28Å; D486-R488 IonicContact OD1-NH2 3.37Å; D486-R488 IonicContact OD2-CZ 3.7Å; D486-R488 IonicContact OD2-NE 3.83Å; D486-R488 PolarHBondContact OD2-NE 3.4Å; D486-R488 IonicContact OD2-NH2 2.68Å; D486-R488 PolarHBondContact OD2-NH2 2.89Å; D486-L489 HydrophobicContact CB-CB 4.22Å; D486-L489 HydrophobicContact CB-CD1 4Å; D486-L489 HydrophobicContact CB-CG 4.11Å; D486-L489 PolarHBondContact O-N 2.86Å; D486-S490 PolarHBondContact O-N 2.84Å |
| 487 | E | 75.3 | Confident | 81.8 | Confident | 181 Ų | 181 | 63.3 Ų | 63.3 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.4 | 178.3 | -71.6 | -169.5 | 162.2 | 0 | 0 | 112.5 | L489 | E487-L489 PolarHBondContact O-N 3.29Š|
| 488 | R | 81.8 | Confident | 81.8 | Confident | 125 Ų | 125 | 64 Ų | 64 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.3 | 178.3 | -59.6 | 172 | -70.1 | -177.6 | -1.1 | 112.7 | A457 D486 | A457-R488 HydrophobicContact CB-CB 4.44Å; D486-R488 PolarHBondContact O-N 3.24Å; D486-R488 VanDerWaalsContact O-N 3.17Å; D486-R488 VanDerWaalsContact OD1-CB 3.26Å; D486-R488 WeakPolarHBondContact OD1-CB 3.49Å; D486-R488 WeakPolarHBondContact OD1-CG 3.25Å; D486-R488 IonicContact OD1-CZ 3.06Å; D486-R488 PolarHBondContact OD1-N 3.08Å; D486-R488 IonicContact OD1-NE 2.69Å; D486-R488 PolarHBondContact OD1-NE 3.28Å; D486-R488 IonicContact OD1-NH2 3.37Å; D486-R488 IonicContact OD2-CZ 3.7Å; D486-R488 IonicContact OD2-NE 3.83Å; D486-R488 PolarHBondContact OD2-NE 3.4Å; D486-R488 IonicContact OD2-NH2 2.68Å; D486-R488 PolarHBondContact OD2-NH2 2.89Å |
| 489 | L | 82.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -19 | -173.4 | -61.6 | 178.4 | 0 | 0 | 0 | 113.2 | V456 A457 V460 I472 L483 D486 E487 G491 E492 | V456-L489 HydrophobicContact CB-CD1 4.49Å; V456-L489 HydrophobicContact CG1-CD1 4.17Å; V456-L489 HydrophobicContact CG1-CD2 4.13Å; A457-L489 HydrophobicContact CB-CD1 4.46Å; A457-L489 HydrophobicContact CB-CD2 4.35Å; A457-L489 HydrophobicContact CB-CG 4.37Å; V460-L489 HydrophobicContact CB-CD2 4.11Å; V460-L489 HydrophobicContact CG1-CD2 4.44Å; V460-L489 HydrophobicContact CG2-CD2 3.56Å; I472-L489 HydrophobicContact CD1-CD2 3.95Å; L483-L489 HydrophobicContact CB-CD1 4.25Å; L483-L489 HydrophobicContact CD2-CD1 3.87Å; L483-L489 VanDerWaalsContact O-CB 3.28Å; L483-L489 WeakPolarHBondContact O-CB 3.32Å; D486-L489 HydrophobicContact CB-CB 4.22Å; D486-L489 HydrophobicContact CB-CD1 4Å; D486-L489 HydrophobicContact CB-CG 4.11Å; D486-L489 PolarHBondContact O-N 2.86Å; E487-L489 PolarHBondContact O-N 3.29Å; L489-G491 PolarHBondContact O-N 2.84Å; L489-G491 VanDerWaalsContact O-N 3.12Å; L489-E492 WeakPolarHBondContact O-CB 3.47Å; L489-E492 PolarHBondContact O-N 2.71Å |
| 490 | S | 75.4 | Confident | 81.6 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26 | -169.5 | 98.1 | 0 | 0 | 0 | 0 | 114.2 | K484 D486 | K484-S490 WeakPolarHBondContact O-CB 3.14Å; D486-S490 PolarHBondContact O-N 2.84Å |
| 491 | G | 76.3 | Confident | 81.1 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 77% | 0.773 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L489 | L489-G491 PolarHBondContact O-N 2.84Å; L489-G491 VanDerWaalsContact O-N 3.12Å |
| 492 | E | 82.5 | Confident | 80.9 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -85.2 | 155.9 | -177.5 | -61.3 | -62.8 | 168.4 | 0 | 0 | 112.5 | V460 R464 I472 L489 I494 | V460-E492 HydrophobicContact CG1-CG 4.23Å; R464-E492 IonicContact CZ-OE1 3.25Å; R464-E492 VanDerWaalsContact CZ-OE1 3.25Å; R464-E492 IonicContact NE-OE1 3.02Å; R464-E492 PolarHBondContact NE-OE1 2.7Å; R464-E492 IonicContact NH2-OE1 2.84Å; R464-E492 PolarHBondContact NH2-OE1 2.99Å; R464-E492 IonicContact NH2-OE2 3.75Å; R464-E492 PolarHBondContact NH2-OE2 2.79Å; I472-E492 HydrophobicContact CD1-CB 4.04Å; I472-E492 HydrophobicContact CD1-CG 4.38Å; L489-E492 WeakPolarHBondContact O-CB 3.47Å; L489-E492 PolarHBondContact O-N 2.71Å; E492-I494 PolarHBondContact O-N 3.24Å |
| 493 | L | 83.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 90.4 | 173.5 | -176.5 | 66.2 | 0 | 0 | 0 | 109.9 | Q471 I472 T495 | Q471-L493 HydrophobicContact CG-CD2 4.12Å; I472-L493 PolarHBondContact N-O 2.77Å; L493-T495 HydrophobicContact CD1-CG2 4.16Å; L493-T495 HydrophobicContact CD2-CG2 4.43Å; L493-T495 HydrophobicContact CG-CG2 3.97Å |
| 494 | I | 84.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.2 | 174.4 | -52.2 | 164.4 | 0 | 0 | 0 | 109.5 | I472 A474 Q480 L483 K484 E492 | I472-I494 HydrophobicContact CB-CB 4.5Å; I472-I494 HydrophobicContact CB-CG1 4.07Å; I472-I494 HydrophobicContact CB-CG2 4.4Å; I472-I494 HydrophobicContact CD1-CG1 4.08Å; I472-I494 HydrophobicContact CG2-CG2 4.31Å; I472-I494 CarbonylContact O-C 3.59Å; I472-I494 WeakPolarHBondContact O-CA 2.95Å; A474-I494 HydrophobicContact CB-CG2 3.91Å; Q480-I494 HydrophobicContact CB-CG2 4.29Å; Q480-I494 HydrophobicContact CG-CB 4.34Å; Q480-I494 HydrophobicContact CG-CG2 3.73Å; Q480-I494 PolarHBondContact NE2-O 3.19Å; L483-I494 HydrophobicContact CB-CD1 4.02Å; K484-I494 HydrophobicContact CG-CD1 3.73Å; E492-I494 PolarHBondContact O-N 3.24Å |
| 495 | T | 84.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160.6 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | I472 A474 L493 | I472-T495 PolarHBondContact O-N 2.87Å; I472-T495 PolarHBondContact O-OG1 2.83Å; A474-T495 PolarHBondContact N-O 3.41Å; L493-T495 HydrophobicContact CD1-CG2 4.16Å; L493-T495 HydrophobicContact CD2-CG2 4.43Å; L493-T495 HydrophobicContact CG-CG2 3.97Å |
| 496 | G | 81.3 | Confident | 79.3 | Confident | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 151.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R498 Q499 | G496-R498 PolarHBondContact O-N 3.47Å; G496-Q499 PolarHBondContact O-N 3.42Å |
| 497 | R | 81.6 | Confident | 79.5 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.2 | 178.7 | -70.4 | -171.2 | -68.4 | 162.4 | -11.5 | 115.6 | I473 A474 A475 Q499 L500 K519 L520 E524 | I473-R497 HydrophobicContact CG2-CG 4Å; A474-R497 PolarHBondContact O-N 3.29Å; A475-R497 VanDerWaalsContact O-CZ 3.3Å; A475-R497 PolarHBondContact O-NE 3.23Å; A475-R497 PolarHBondContact O-NH2 3.38Å; R497-Q499 PolarHBondContact O-N 3.2Å; R497-Q499 VanDerWaalsContact O-N 3.09Å; R497-L500 VanDerWaalsContact O-CB 3.26Å; R497-L500 WeakPolarHBondContact O-CB 3.17Å; R497-L500 PolarHBondContact O-N 3.02Å; R497-K519 PolarHBondContact NH1-O 2.98Å; R497-L520 HydrophobicContact CG-CD2 4.14Å; R497-E524 IonicContact NH1-OE2 3.77Å |
| 498 | R | 77.3 | Confident | 79.9 | Confident | 172 Ų | 172 | 65 Ų | 65 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31 | 179.6 | -148.9 | -177.2 | -166.6 | 148.7 | 6.7 | 112.9 | G496 L500 L501 E502 | G496-R498 PolarHBondContact O-N 3.47Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 3.17Å; R498-L501 PolarHBondContact O-N 3.46Å; R498-E502 VanDerWaalsContact CD-OE1 3.32Å; R498-E502 WeakPolarHBondContact CD-OE1 3.37Å; R498-E502 WeakPolarHBondContact CG-OE1 3.5Å; R498-E502 IonicContact NE-OE1 3.69Å; R498-E502 PolarHBondContact NE-OE1 2.8Å; R498-E502 PolarHBondContact O-N 3.47Å |
| 499 | Q | 78.7 | Confident | 79.9 | Confident | 89 Ų | 89 | 60 Ų | 60 | 42% | 0.416 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68 | -21.2 | 177.7 | -71.2 | -169.2 | -18.2 | 0 | 0 | 114 | G496 R497 L501 E502 G503 M504 | G496-Q499 PolarHBondContact O-N 3.42Å; R497-Q499 PolarHBondContact O-N 3.2Å; R497-Q499 VanDerWaalsContact O-N 3.09Å; Q499-L501 PolarHBondContact O-N 2.94Å; Q499-E502 PolarHBondContact O-N 2.87Å; Q499-G503 PolarHBondContact O-N 3.38Å; Q499-G503 VanDerWaalsContact O-N 3.13Å; Q499-M504 PolarHBondContact O-N 3.35Å; Q499-M504 VanDerWaalsContact O-N 3.1Å |
| 500 | L | 81.1 | Confident | 80.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -27.2 | 174.6 | -71.7 | 170.3 | 0 | 0 | 0 | 112.4 | I473 R497 R498 M504 L520 E524 T527 L528 | I473-L500 HydrophobicContact CD1-CD1 4.38Å; I473-L500 HydrophobicContact CD1-CD2 3.83Å; I473-L500 HydrophobicContact CD1-CG 4.28Å; I473-L500 HydrophobicContact CG2-CD1 4.4Å; R497-L500 VanDerWaalsContact O-CB 3.26Å; R497-L500 WeakPolarHBondContact O-CB 3.17Å; R497-L500 PolarHBondContact O-N 3.02Å; R498-L500 VanDerWaalsContact C-N 3.26Å; R498-L500 PolarHBondContact O-N 3.17Å; L500-M504 HydrophobicContact CD2-SD 3.86Å; L500-L520 HydrophobicContact CD1-CD2 4Å; L500-E524 HydrophobicContact CD1-CB 4.15Å; L500-T527 WeakPolarHBondContact O-CB 3.24Å; L500-T527 PolarHBondContact O-OG1 2.56Å; L500-L528 HydrophobicContact CD2-CB 4.18Å; L500-L528 HydrophobicContact CD2-CD1 4.1Å |
| 501 | L | 75.1 | Confident | 81.1 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -98.2 | -26 | 178.2 | -64.8 | 167.2 | 0 | 0 | 0 | 112.4 | R498 Q499 E524 | R498-L501 PolarHBondContact O-N 3.46Å; Q499-L501 PolarHBondContact O-N 2.94Å; L501-E524 HydrophobicContact CD1-CG 4.35Å; L501-E524 HydrophobicContact CG-CG 4.46Å |
| 502 | E | 77.9 | Confident | 81.9 | Confident | 136 Ų | 136 | 53 Ų | 53 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -88.7 | -3 | -177.9 | -67 | 172.2 | -177.3 | 0 | 0 | 113.8 | R498 Q499 | R498-E502 VanDerWaalsContact CD-OE1 3.32Å; R498-E502 WeakPolarHBondContact CD-OE1 3.37Å; R498-E502 WeakPolarHBondContact CG-OE1 3.5Å; R498-E502 IonicContact NE-OE1 3.69Å; R498-E502 PolarHBondContact NE-OE1 2.8Å; R498-E502 PolarHBondContact O-N 3.47Å; Q499-E502 PolarHBondContact O-N 2.87Å |
| 503 | G | 71 | Confident | 82.5 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | trans | 102.7 | 75 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q499 | Q499-G503 PolarHBondContact O-N 3.38Å; Q499-G503 VanDerWaalsContact O-N 3.13Å | ||
| 504 | M | 77.5 | Confident | 82.9 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -71.7 | 138.2 | 174.4 | -175.4 | -179 | -174.1 | 0 | 0 | 111.6 | I473 Q499 L500 F506 | I473-M504 HydrophobicContact CD1-CE 3.86Å; I473-M504 HydrophobicContact CD1-SD 3.81Å; I473-M504 HydrophobicContact CG1-CE 3.96Å; I473-M504 HydrophobicContact CG1-SD 4.43Å; Q499-M504 PolarHBondContact O-N 3.35Å; Q499-M504 VanDerWaalsContact O-N 3.1Å; L500-M504 HydrophobicContact CD2-SD 3.86Å; M504-F506 HydrophobicContact CB-CE2 4.36Å; M504-F506 HydrophobicContact SD-CE1 4.19Å; M504-F506 HydrophobicContact SD-CZ 4.18Å | ||
| 505 | A | 75.2 | Confident | 83.2 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | trans | -89.6 | 113.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q471 | Q471-A505 PolarHBondContact NE2-O 3.1Š| ||
| 506 | F | 82.7 | Confident | 83.3 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 123.2 | 176.2 | -65.1 | -88.3 | 0 | 0 | 0 | 110.7 | M504 L528 H535 V537 | M504-F506 HydrophobicContact CB-CE2 4.36Å; M504-F506 HydrophobicContact SD-CE1 4.19Å; M504-F506 HydrophobicContact SD-CZ 4.18Å; F506-L528 HydrophobicContact CE1-CD1 4.38Å; F506-H535 HydrophobicContact CB-CB 4.17Å; F506-V537 HydrophobicContact CB-CG2 4.46Å |
| 507 | T | 83.6 | Confident | 83.6 | Confident | 40 Ų | 40 | 45 Ų | 45 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 124.1 | 173.6 | 29 | 0 | 0 | 0 | 0 | 110.6 | Q471 G509 S510 V537 | Q471-T507 PolarHBondContact NE2-OG1 3.46Å; T507-G509 PolarHBondContact O-N 3.2Å; T507-S510 VanDerWaalsContact O-CB 3.23Å; T507-S510 WeakPolarHBondContact O-CB 3.33Å; T507-S510 PolarHBondContact O-N 3.02Å; T507-S510 PolarHBondContact O-OG 3.45Å; T507-S510 WeakPolarHBondContact OG1-CB 3.4Å; T507-S510 PolarHBondContact OG1-OG 2.9Å; T507-V537 WeakPolarHBondContact O-CG2 3.28Å |
| 508 | P | 83.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 42.4 Ų | 42.4 | 66% | 0.656 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.1 | -179.4 | -23.8 | 33.2 | 0 | 0 | 0 | 112.8 | S510 H535 | P508-S510 PolarHBondContact O-N 3.36Å; P508-H535 WeakPolarHBondContact CA-O 3.36Å |
| 509 | G | 81.7 | Confident | 84 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 8.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R468 T507 H535 | R468-G509 PolarHBondContact NE-O 3.03Å; R468-G509 PolarHBondContact NH2-O 2.78Å; R468-G509 VanDerWaalsContact NH2-O 3.15Å; T507-G509 PolarHBondContact O-N 3.2Å; G509-H535 PolarHBondContact N-O 3.38Å |
| 510 | S | 90.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -79.4 | 173 | 174.8 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | R468 E469 T507 P508 V537 Q538 | R468-S510 PolarHBondContact NH2-O 3.21Å; E469-S510 CarbonylContact O-C 3.55Å; E469-S510 WeakPolarHBondContact O-CA 3.35Å; E469-S510 VanDerWaalsContact O-CB 3.31Å; E469-S510 WeakPolarHBondContact O-CB 3.32Å; T507-S510 VanDerWaalsContact O-CB 3.23Å; T507-S510 WeakPolarHBondContact O-CB 3.33Å; T507-S510 PolarHBondContact O-N 3.02Å; T507-S510 PolarHBondContact O-OG 3.45Å; T507-S510 WeakPolarHBondContact OG1-CB 3.4Å; T507-S510 PolarHBondContact OG1-OG 2.9Å; P508-S510 PolarHBondContact O-N 3.36Å; S510-V537 WeakPolarHBondContact O-CG1 3.46Å; S510-Q538 PolarHBondContact O-N 2.93Å | ||
| 511 | T | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.8 | 169.2 | -62 | 0 | 0 | 0 | 0 | 109.3 | A463 R468 E469 V470 Q471 I513 Q538 L540 | A463-T511 HydrophobicContact CB-CG2 4.13Å; R468-T511 WeakPolarHBondContact CD-OG1 3.37Å; R468-T511 PolarHBondContact NE-OG1 3.47Å; E469-T511 PolarHBondContact O-N 3.43Å; V470-T511 WeakPolarHBondContact CA-O 3.25Å; Q471-T511 PolarHBondContact N-O 2.91Å; T511-I513 HydrophobicContact CG2-CG1 4.31Å; T511-Q538 CarbonylContact C-O 3.5Å; T511-Q538 WeakPolarHBondContact CA-O 3.43Å; T511-Q538 HydrophobicContact CG2-CB 4.28Å; T511-Q538 HydrophobicContact CG2-CG 4.32Å; T511-Q538 PolarHBondContact OG1-OE1 2.95Å; T511-L540 HydrophobicContact CG2-CD1 3.51Å; T511-L540 HydrophobicContact CG2-CG 4Å |
| 512 | V | 94 | Very high | 85 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.3 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | Q471 I473 V514 L528 V537 Q538 V539 L540 | Q471-V512 HydrophobicContact CB-CG2 4.28Å; Q471-V512 CarbonylContact O-C 3.53Å; Q471-V512 WeakPolarHBondContact O-CA 3.47Å; I473-V512 HydrophobicContact CD1-CG1 3.73Å; I473-V512 HydrophobicContact CG1-CG1 4.05Å; V512-V514 HydrophobicContact CG1-CG2 4.44Å; V512-L528 HydrophobicContact CG1-CD1 3.96Å; V512-V537 HydrophobicContact CB-CG1 4.1Å; V512-V537 HydrophobicContact CG2-CG1 3.55Å; V512-Q538 PolarHBondContact N-O 3.11Å; V512-V539 WeakPolarHBondContact O-CA 2.95Å; V512-L540 PolarHBondContact O-N 3.42Å |
| 513 | I | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.6 | 175.6 | -59.1 | 168.6 | 0 | 0 | 0 | 108.3 | V456 L459 V460 V470 Q471 I472 I473 T511 L540 T542 | V456-I513 HydrophobicContact CG1-CG2 4.37Å; L459-I513 HydrophobicContact CB-CD1 3.66Å; L459-I513 HydrophobicContact CB-CG1 4.37Å; L459-I513 HydrophobicContact CD1-CG2 4.17Å; V460-I513 HydrophobicContact CG2-CD1 3.65Å; V470-I513 HydrophobicContact CG1-CD1 3.74Å; V470-I513 HydrophobicContact CG1-CG1 4.29Å; Q471-I513 PolarHBondContact O-N 2.96Å; I472-I513 CarbonylContact C-O 3.6Å; I472-I513 WeakPolarHBondContact CA-O 3.4Å; I473-I513 PolarHBondContact N-O 2.82Å; T511-I513 HydrophobicContact CG2-CG1 4.31Å; I513-L540 CarbonylContact C-O 3.58Å; I513-L540 WeakPolarHBondContact CA-O 3.31Å; I513-L540 HydrophobicContact CG1-CB 4.28Å; I513-L540 HydrophobicContact CG1-CD1 4.38Å; I513-T542 HydrophobicContact CG2-CG2 4.22Å |
| 514 | V | 92.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | I473 V512 L520 L528 L540 I541 T542 | I473-V514 HydrophobicContact CB-CG2 4.47Å; I473-V514 HydrophobicContact CD1-CG2 4.37Å; V512-V514 HydrophobicContact CG1-CG2 4.44Å; V514-L520 HydrophobicContact CG1-CD1 3.87Å; V514-L520 HydrophobicContact CG1-CG 4.27Å; V514-L528 HydrophobicContact CG2-CD1 4.33Å; V514-L528 HydrophobicContact CG2-CD2 3.69Å; V514-L540 PolarHBondContact N-O 3.47Å; V514-I541 HydrophobicContact CB-CG1 4.32Å; V514-I541 HydrophobicContact CG2-CG1 4.25Å; V514-T542 WeakPolarHBondContact O-CB 3.47Å; V514-T542 PolarHBondContact O-N 3.38Å; V514-T542 PolarHBondContact O-OG1 2.99Å |
| 515 | D | 90.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 133 | 169.9 | -179.1 | 42.2 | 0 | 0 | 0 | 110.5 | R455 I473 S479 L483 G517 T542 | R455-D515 IonicContact NH2-OD1 3.49Å; I473-D515 PolarHBondContact O-N 3.44Å; S479-D515 PolarHBondContact OG-OD2 3.42Å; L483-D515 HydrophobicContact CD1-CB 4.1Å; D515-G517 PolarHBondContact O-N 3.25Å; D515-T542 WeakPolarHBondContact CA-OG1 2.89Å |
| 516 | Q | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 52.7 | -176.7 | -45.6 | -172 | -36.3 | 0 | 0 | 113.6 | A475 E518 K519 T542 R814 | A475-Q516 HydrophobicContact CB-CB 3.86Å; A475-Q516 HydrophobicContact CB-CG 4.28Å; Q516-E518 WeakPolarHBondContact CA-OE2 3.42Å; Q516-E518 PolarHBondContact O-N 3.15Å; Q516-E518 VanDerWaalsContact O-N 3.1Å; Q516-K519 WeakPolarHBondContact O-CB 3.34Å; Q516-K519 PolarHBondContact O-N 2.91Å; Q516-T542 PolarHBondContact N-OG1 3.05Å; Q516-T542 VanDerWaalsContact N-OG1 3.13Å; Q516-R814 VanDerWaalsContact NE2-CD 3.33Å |
| 517 | G | 85.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -64.1 | -14.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D515 K519 L520 T542 | D515-G517 PolarHBondContact O-N 3.25Å; G517-K519 PolarHBondContact O-N 3.41Å; G517-L520 WeakPolarHBondContact O-CB 3.34Å; G517-L520 PolarHBondContact O-N 3.48Å; G517-L520 VanDerWaalsContact O-N 3.07Å; G517-T542 PolarHBondContact N-O 2.91Å |
| 518 | E | 84.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -58.8 | -23.7 | 168.7 | 70.6 | -88 | -151.4 | 0 | 0 | 112.5 | Q516 L520 D543 S544 G545 Q546 T548 G549 | Q516-E518 WeakPolarHBondContact CA-OE2 3.42Å; Q516-E518 PolarHBondContact O-N 3.15Å; Q516-E518 VanDerWaalsContact O-N 3.1Å; E518-L520 VanDerWaalsContact C-N 3.35Å; E518-D543 WeakPolarHBondContact OE2-CA 3.27Å; E518-S544 WeakPolarHBondContact OE1-CA 3.42Å; E518-S544 WeakPolarHBondContact OE1-CB 3.1Å; E518-S544 PolarHBondContact OE1-N 2.92Å; E518-S544 PolarHBondContact OE1-OG 2.97Å; E518-S544 PolarHBondContact OE2-N 3.3Å; E518-G545 PolarHBondContact OE1-N 3.02Å; E518-Q546 HydrophobicContact CG-CB 4.24Å; E518-Q546 WeakPolarHBondContact OE1-CB 3.21Å; E518-Q546 PolarHBondContact OE1-N 3.29Å; E518-T548 HydrophobicContact CB-CG2 4.13Å; E518-T548 CarbonylContact O-C 3.49Å; E518-T548 VanDerWaalsContact O-CA 3.24Å; E518-T548 WeakPolarHBondContact O-CA 3.34Å; E518-T548 WeakPolarHBondContact O-CG2 3.28Å; E518-G549 PolarHBondContact O-N 2.71Å |
| 519 | K | 84.2 | Confident | 88.5 | Confident | 45 Ų | 45 | 13 Ų | 13 | 20% | 0.196 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -82.3 | -8.3 | 177 | -72.3 | -173.2 | 178.3 | 161.9 | 0 | 114.4 | A475 R497 Q516 G517 | A475-K519 HydrophobicContact CB-CD 4.39Å; R497-K519 PolarHBondContact NH1-O 2.98Å; Q516-K519 WeakPolarHBondContact O-CB 3.34Å; Q516-K519 PolarHBondContact O-N 2.91Å; G517-K519 PolarHBondContact O-N 3.41Å |
| 520 | L | 85.9 | Confident | 88.9 | Confident | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | trans | -65.2 | 139.4 | 176.8 | -69.7 | 174.5 | 0 | 0 | 0 | 110.4 | R497 L500 V514 G517 E518 E524 T525 L528 | R497-L520 HydrophobicContact CG-CD2 4.14Å; L500-L520 HydrophobicContact CD1-CD2 4Å; V514-L520 HydrophobicContact CG1-CD1 3.87Å; V514-L520 HydrophobicContact CG1-CG 4.27Å; G517-L520 WeakPolarHBondContact O-CB 3.34Å; G517-L520 PolarHBondContact O-N 3.48Å; G517-L520 VanDerWaalsContact O-N 3.07Å; E518-L520 VanDerWaalsContact C-N 3.35Å; L520-E524 HydrophobicContact CD2-CB 3.94Å; L520-T525 WeakPolarHBondContact CB-OG1 3.41Å; L520-L528 HydrophobicContact CD1-CD2 4.23Å | ||
| 521 | S | 84.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 15.1 Ų | 15.1 | 17% | 0.168 | 8% | 0.08 | C | C | . | . | trans | -76.1 | 164.4 | 164.1 | 62.4 | 0 | 0 | 0 | 0 | 111 | K523 E524 T525 | S521-K523 VanDerWaalsContact C-N 3.32Å; S521-K523 PolarHBondContact O-N 3.48Å; S521-E524 PolarHBondContact N-OE2 3.34Å; S521-E524 PolarHBondContact O-N 3.43Å; S521-E524 VanDerWaalsContact OG-CG 3.23Å; S521-E524 WeakPolarHBondContact OG-CG 3.45Å; S521-E524 PolarHBondContact OG-N 2.94Å; S521-E524 PolarHBondContact OG-OE2 3.04Å; S521-T525 WeakPolarHBondContact O-CB 3.37Å; S521-T525 PolarHBondContact O-N 2.8Å; S521-T525 PolarHBondContact O-OG1 3.31Å | ||
| 522 | L | 85.1 | Confident | 88.7 | Confident | 6 Ų | 6 | 15.1 Ų | 15.1 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 174.3 | -74 | 167.6 | 0 | 0 | 0 | 112.5 | D395 V399 T525 L526 A553 | D395-L522 HydrophobicContact CB-CB 3.98Å; D395-L522 HydrophobicContact CB-CD1 4.15Å; V399-L522 HydrophobicContact CG2-CD2 4.05Å; L522-T525 WeakPolarHBondContact O-CB 3.38Å; L522-T525 PolarHBondContact O-N 3.49Å; L522-L526 WeakPolarHBondContact O-CG 3.24Å; L522-L526 PolarHBondContact O-N 2.83Å; L522-A553 HydrophobicContact CD2-CB 3.88Å; L522-A553 HydrophobicContact CG-CB 4.47Å |
| 523 | K | 83.5 | Confident | 88.5 | Confident | 63 Ų | 63 | 16.3 Ų | 16.3 | 27% | 0.274 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.5 | -79.8 | -174.4 | -175 | 173 | 0 | 113.6 | E336 S521 T525 L526 T527 | E336-K523 IonicContact OE1-NZ 2.7Å; E336-K523 PolarHBondContact OE1-NZ 2.86Å; S521-K523 VanDerWaalsContact C-N 3.32Å; S521-K523 PolarHBondContact O-N 3.48Å; K523-T525 PolarHBondContact O-N 3.42Å; K523-L526 WeakPolarHBondContact O-CB 3.23Å; K523-L526 PolarHBondContact O-N 3.3Å; K523-T527 PolarHBondContact O-N 2.78Å; K523-T527 PolarHBondContact O-OG1 3.37Å |
| 524 | E | 87.3 | Confident | 88.2 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 12% | 0.117 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 176.1 | -69.4 | 167.9 | 143.6 | 0 | 0 | 111 | R497 L500 L501 L520 S521 T527 L528 | R497-E524 IonicContact NH1-OE2 3.77Å; L500-E524 HydrophobicContact CD1-CB 4.15Å; L501-E524 HydrophobicContact CD1-CG 4.35Å; L501-E524 HydrophobicContact CG-CG 4.46Å; L520-E524 HydrophobicContact CD2-CB 3.94Å; S521-E524 PolarHBondContact N-OE2 3.34Å; S521-E524 PolarHBondContact O-N 3.43Å; S521-E524 VanDerWaalsContact OG-CG 3.23Å; S521-E524 WeakPolarHBondContact OG-CG 3.45Å; S521-E524 PolarHBondContact OG-N 2.94Å; S521-E524 PolarHBondContact OG-OE2 3.04Å; E524-T527 PolarHBondContact O-OG1 3.19Å; E524-T527 VanDerWaalsContact O-OG1 3.06Å; E524-L528 WeakPolarHBondContact O-CB 3.29Å; E524-L528 PolarHBondContact O-N 2.8Å; E524-L528 VanDerWaalsContact O-N 3.12Å |
| 525 | T | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.5 | -40 | 175.4 | -50.6 | 0 | 0 | 0 | 0 | 111 | V399 L520 S521 L522 K523 L528 L529 A553 M557 | V399-T525 HydrophobicContact CG1-CG2 4.27Å; V399-T525 HydrophobicContact CG2-CG2 4.33Å; L520-T525 WeakPolarHBondContact CB-OG1 3.41Å; S521-T525 WeakPolarHBondContact O-CB 3.37Å; S521-T525 PolarHBondContact O-N 2.8Å; S521-T525 PolarHBondContact O-OG1 3.31Å; L522-T525 WeakPolarHBondContact O-CB 3.38Å; L522-T525 PolarHBondContact O-N 3.49Å; K523-T525 PolarHBondContact O-N 3.42Å; T525-L528 WeakPolarHBondContact O-CB 3.25Å; T525-L528 PolarHBondContact O-N 3.45Å; T525-L529 HydrophobicContact CG2-CD1 3.96Å; T525-L529 HydrophobicContact CG2-CG 4.17Å; T525-L529 WeakPolarHBondContact O-CB 3.49Å; T525-L529 VanDerWaalsContact O-CG 3.26Å; T525-L529 WeakPolarHBondContact O-CG 3.33Å; T525-L529 PolarHBondContact O-N 3.36Å; T525-A553 HydrophobicContact CG2-CB 4.21Å; T525-A553 VanDerWaalsContact OG1-CB 3.32Å; T525-A553 WeakPolarHBondContact OG1-CB 3.23Å; T525-M557 HydrophobicContact CG2-CE 3.89Å; T525-M557 HydrophobicContact CG2-SD 4.06Å |
| 526 | L | 89.7 | Confident | 87.8 | Confident | 27 Ų | 27 | 31.3 Ų | 31.3 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 175.7 | -76.1 | 167.8 | 0 | 0 | 0 | 112.3 | D395 S398 V399 L402 L522 K523 L528 L529 D530 | D395-L526 HydrophobicContact CB-CD1 3.89Å; D395-L526 WeakPolarHBondContact OD1-CD1 3.43Å; S398-L526 VanDerWaalsContact CB-CD2 3.49Å; V399-L526 HydrophobicContact CB-CD2 4.49Å; V399-L526 HydrophobicContact CG2-CD2 3.65Å; V399-L526 HydrophobicContact CG2-CG 3.71Å; L402-L526 HydrophobicContact CD1-CD2 3.87Å; L522-L526 WeakPolarHBondContact O-CG 3.24Å; L522-L526 PolarHBondContact O-N 2.83Å; K523-L526 WeakPolarHBondContact O-CB 3.23Å; K523-L526 PolarHBondContact O-N 3.3Å; L526-L528 VanDerWaalsContact C-N 3.31Å; L526-L528 PolarHBondContact O-N 2.91Å; L526-L529 PolarHBondContact O-N 2.85Å; L526-D530 WeakPolarHBondContact O-CB 3.19Å; L526-D530 PolarHBondContact O-N 2.79Å |
| 527 | T | 89.2 | Confident | 88 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 33% | 0.325 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.8 | -37 | 177.2 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | L500 K523 E524 G531 | L500-T527 WeakPolarHBondContact O-CB 3.24Å; L500-T527 PolarHBondContact O-OG1 2.56Å; K523-T527 PolarHBondContact O-N 2.78Å; K523-T527 PolarHBondContact O-OG1 3.37Å; E524-T527 PolarHBondContact O-OG1 3.19Å; E524-T527 VanDerWaalsContact O-OG1 3.06Å; T527-G531 PolarHBondContact O-N 3.41Å; T527-G531 VanDerWaalsContact O-N 3.14Å |
| 528 | L | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 172.9 | -179.9 | 73.1 | 0 | 0 | 0 | 111.9 | I473 L500 F506 V512 V514 L520 E524 T525 L526 A532 V539 I541 | I473-L528 HydrophobicContact CD1-CD1 3.77Å; L500-L528 HydrophobicContact CD2-CB 4.18Å; L500-L528 HydrophobicContact CD2-CD1 4.1Å; F506-L528 HydrophobicContact CE1-CD1 4.38Å; V512-L528 HydrophobicContact CG1-CD1 3.96Å; V514-L528 HydrophobicContact CG2-CD1 4.33Å; V514-L528 HydrophobicContact CG2-CD2 3.69Å; L520-L528 HydrophobicContact CD1-CD2 4.23Å; E524-L528 WeakPolarHBondContact O-CB 3.29Å; E524-L528 PolarHBondContact O-N 2.8Å; E524-L528 VanDerWaalsContact O-N 3.12Å; T525-L528 WeakPolarHBondContact O-CB 3.25Å; T525-L528 PolarHBondContact O-N 3.45Å; L526-L528 VanDerWaalsContact C-N 3.31Å; L526-L528 PolarHBondContact O-N 2.91Å; L528-A532 WeakPolarHBondContact O-CB 3.45Å; L528-A532 PolarHBondContact O-N 2.63Å; L528-V539 HydrophobicContact CD2-CG1 3.89Å; L528-V539 HydrophobicContact CG-CG1 4.31Å; L528-I541 HydrophobicContact CD2-CD1 4.32Å |
| 529 | L | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.6 | -40.8 | -176.6 | -65.8 | 178.7 | 0 | 0 | 0 | 112.2 | V399 L402 I406 L440 T525 L526 G531 A532 A533 M557 | V399-L529 HydrophobicContact CG1-CD1 4Å; L402-L529 HydrophobicContact CB-CB 4.1Å; L402-L529 HydrophobicContact CB-CD1 4.3Å; L402-L529 HydrophobicContact CD1-CB 4.24Å; I406-L529 HydrophobicContact CD1-CB 3.86Å; I406-L529 HydrophobicContact CD1-CD2 3.66Å; I406-L529 HydrophobicContact CD1-CG 4.3Å; I406-L529 WeakPolarHBondContact CD1-O 3.46Å; L440-L529 HydrophobicContact CD1-CD2 4.09Å; L440-L529 HydrophobicContact CD2-CD2 4.12Å; T525-L529 HydrophobicContact CG2-CD1 3.96Å; T525-L529 HydrophobicContact CG2-CG 4.17Å; T525-L529 WeakPolarHBondContact O-CB 3.49Å; T525-L529 VanDerWaalsContact O-CG 3.26Å; T525-L529 WeakPolarHBondContact O-CG 3.33Å; T525-L529 PolarHBondContact O-N 3.36Å; L526-L529 PolarHBondContact O-N 2.85Å; L529-G531 PolarHBondContact O-N 2.84Å; L529-A532 PolarHBondContact O-N 2.76Å; L529-A533 WeakPolarHBondContact O-CB 3.37Å; L529-A533 PolarHBondContact O-N 3.25Å; L529-M557 HydrophobicContact CD1-SD 4.48Å |
| 530 | D | 90.3 | Very high | 89.3 | Confident | 61 Ų | 61 | 29.1 Ų | 29.1 | 33% | 0.326 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.7 | -175.1 | 42.2 | 0 | 0 | 0 | 111.2 | L526 A532 A533 R534 | L526-D530 WeakPolarHBondContact O-CB 3.19Å; L526-D530 PolarHBondContact O-N 2.79Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 2.94Å; D530-A533 PolarHBondContact O-N 2.65Å; D530-R534 VanDerWaalsContact CG-NE 3.28Å; D530-R534 VanDerWaalsContact O-CG 3.31Å; D530-R534 WeakPolarHBondContact O-CG 3.36Å; D530-R534 PolarHBondContact O-N 3.4Å; D530-R534 VanDerWaalsContact O-N 3.1Å; D530-R534 IonicContact OD1-CZ 3.24Å; D530-R534 IonicContact OD1-NE 2.98Å; D530-R534 PolarHBondContact OD1-NE 2.92Å; D530-R534 IonicContact OD1-NH2 3.6Å; D530-R534 PolarHBondContact OD1-NH2 3.21Å; D530-R534 IonicContact OD2-CZ 3.82Å; D530-R534 IonicContact OD2-NE 3.29Å; D530-R534 PolarHBondContact OD2-NE 2.98Å; D530-R534 IonicContact OD2-NH2 2.95Å; D530-R534 PolarHBondContact OD2-NH2 3.48Å; D530-R534 VanDerWaalsContact OD2-NH2 3.15Å |
| 531 | G | 88.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 29 Ų | 29 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T527 L529 H535 | T527-G531 PolarHBondContact O-N 3.41Å; T527-G531 VanDerWaalsContact O-N 3.14Å; L529-G531 PolarHBondContact O-N 2.84Å; G531-H535 PolarHBondContact O-CD2 3.5Å; G531-H535 VanDerWaalsContact O-CD2 3.25Å; G531-H535 PolarHBondContact O-N 3.45Å |
| 532 | A | 90 | Very high | 90 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I406 N410 L528 L529 D530 N536 V537 V539 | I406-A532 HydrophobicContact CD1-CB 4.27Å; N410-A532 PolarHBondContact ND2-O 2.87Å; L528-A532 WeakPolarHBondContact O-CB 3.45Å; L528-A532 PolarHBondContact O-N 2.63Å; L529-A532 PolarHBondContact O-N 2.76Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 2.94Å; A532-N536 PolarHBondContact O-N 3.46Å; A532-N536 VanDerWaalsContact O-N 3.15Å; A532-V537 HydrophobicContact CB-CB 4.31Å; A532-V537 PolarHBondContact O-N 2.94Å; A532-V537 VanDerWaalsContact O-N 3.15Å; A532-V539 HydrophobicContact CB-CG2 3.34Å |
| 533 | A | 89.1 | Confident | 90.2 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 21% | 0.207 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I406 L529 D530 H535 | I406-A533 HydrophobicContact CD1-CB 4.39Å; I406-A533 HydrophobicContact CG1-CB 3.88Å; L529-A533 WeakPolarHBondContact O-CB 3.37Å; L529-A533 PolarHBondContact O-N 3.25Å; D530-A533 PolarHBondContact O-N 2.65Å; A533-H535 PolarHBondContact O-N 3.1Å |
| 534 | R | 88.1 | Confident | 90.2 | Very high | 178 Ų | 178 | 25.8 Ų | 25.8 | 67% | 0.672 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -67.4 | -32.2 | -177.5 | -69.9 | 171.3 | -171.8 | -111.9 | 5.7 | 114.3 | D530 | D530-R534 VanDerWaalsContact CG-NE 3.28Å; D530-R534 VanDerWaalsContact O-CG 3.31Å; D530-R534 WeakPolarHBondContact O-CG 3.36Å; D530-R534 PolarHBondContact O-N 3.4Å; D530-R534 VanDerWaalsContact O-N 3.1Å; D530-R534 IonicContact OD1-CZ 3.24Å; D530-R534 IonicContact OD1-NE 2.98Å; D530-R534 PolarHBondContact OD1-NE 2.92Å; D530-R534 IonicContact OD1-NH2 3.6Å; D530-R534 PolarHBondContact OD1-NH2 3.21Å; D530-R534 IonicContact OD2-CZ 3.82Å; D530-R534 IonicContact OD2-NE 3.29Å; D530-R534 PolarHBondContact OD2-NE 2.98Å; D530-R534 IonicContact OD2-NH2 2.95Å; D530-R534 PolarHBondContact OD2-NH2 3.48Å; D530-R534 VanDerWaalsContact OD2-NH2 3.15Å |
| 535 | H | 86.5 | Confident | 89.7 | Confident | 76 Ų | 76 | 25.7 Ų | 25.7 | 35% | 0.352 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -109.3 | 7.4 | -171.6 | -64.3 | -70 | 0 | 0 | 0 | 114.2 | F506 P508 G509 G531 A533 V537 | F506-H535 HydrophobicContact CB-CB 4.17Å; P508-H535 WeakPolarHBondContact CA-O 3.36Å; G509-H535 PolarHBondContact N-O 3.38Å; G531-H535 PolarHBondContact O-CD2 3.5Å; G531-H535 VanDerWaalsContact O-CD2 3.25Å; G531-H535 PolarHBondContact O-N 3.45Å; A533-H535 PolarHBondContact O-N 3.1Å; H535-V537 VanDerWaalsContact C-N 3.27Å; H535-V537 HydrophobicContact CB-CG2 3.76Å; H535-V537 PolarHBondContact O-N 3.35Å |
| 536 | N | 88.4 | Confident | 89.2 | Confident | 63 Ų | 63 | 26.4 Ų | 26.4 | 34% | 0.337 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 46.3 | -176.7 | -164.1 | 21.6 | 0 | 0 | 0 | 112.5 | N410 R411 A532 | N410-N536 VanDerWaalsContact CA-OD1 3.24Å; N410-N536 WeakPolarHBondContact CA-OD1 3.5Å; N410-N536 WeakPolarHBondContact CB-OD1 3.47Å; R411-N536 PolarHBondContact N-OD1 3.26Å; R411-N536 VanDerWaalsContact N-OD1 3.14Å; A532-N536 PolarHBondContact O-N 3.46Å; A532-N536 VanDerWaalsContact O-N 3.15Å |
| 537 | V | 91.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -90.5 | 141.8 | -179 | 175 | 0 | 0 | 0 | 0 | 109 | F506 T507 S510 V512 A532 H535 | F506-V537 HydrophobicContact CB-CG2 4.46Å; T507-V537 WeakPolarHBondContact O-CG2 3.28Å; S510-V537 WeakPolarHBondContact O-CG1 3.46Å; V512-V537 HydrophobicContact CB-CG1 4.1Å; V512-V537 HydrophobicContact CG2-CG1 3.55Å; A532-V537 HydrophobicContact CB-CB 4.31Å; A532-V537 PolarHBondContact O-N 2.94Å; A532-V537 VanDerWaalsContact O-N 3.15Å; H535-V537 VanDerWaalsContact C-N 3.27Å; H535-V537 HydrophobicContact CB-CG2 3.76Å; H535-V537 PolarHBondContact O-N 3.35Å | ||
| 538 | Q | 93 | Very high | 87.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 129.9 | 170.7 | -177.5 | -175.7 | 33.7 | 0 | 0 | 108.7 | V412 P438 S439 S510 T511 V512 L540 | V412-Q538 HydrophobicContact CG2-CB 4.17Å; V412-Q538 HydrophobicContact CG2-CG 3.98Å; P438-Q538 PolarHBondContact O-NE2 2.76Å; S439-Q538 WeakPolarHBondContact O-CA 3.36Å; S510-Q538 PolarHBondContact O-N 2.93Å; T511-Q538 CarbonylContact C-O 3.5Å; T511-Q538 WeakPolarHBondContact CA-O 3.43Å; T511-Q538 HydrophobicContact CG2-CB 4.28Å; T511-Q538 HydrophobicContact CG2-CG 4.32Å; T511-Q538 PolarHBondContact OG1-OE1 2.95Å; V512-Q538 PolarHBondContact N-O 3.11Å; Q538-L540 HydrophobicContact CG-CD2 4.4Å; Q538-L540 HydrophobicContact CG-CG 4.3Å |
| 539 | V | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | S439 L440 A441 V512 L528 A532 I541 | S439-V539 PolarHBondContact O-N 3.18Å; L440-V539 WeakPolarHBondContact CA-O 3.25Å; L440-V539 HydrophobicContact CD1-CB 3.74Å; L440-V539 HydrophobicContact CD1-CG1 3.94Å; A441-V539 PolarHBondContact N-O 3.45Å; A441-V539 VanDerWaalsContact N-O 3.12Å; V512-V539 WeakPolarHBondContact O-CA 2.95Å; L528-V539 HydrophobicContact CD2-CG1 3.89Å; L528-V539 HydrophobicContact CG-CG1 4.31Å; A532-V539 HydrophobicContact CB-CG2 3.34Å; V539-I541 HydrophobicContact CG1-CD1 4.32Å; V539-I541 HydrophobicContact CG1-CG1 3.87Å |
| 540 | L | 94.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 105.9 | 176.9 | -63.2 | 173.9 | 0 | 0 | 0 | 108.2 | L433 A441 L459 M462 T511 V512 I513 V514 Q538 | L433-L540 HydrophobicContact CD1-CD2 4.11Å; L433-L540 HydrophobicContact CD2-CD1 4.5Å; L433-L540 HydrophobicContact CD2-CD2 3.9Å; L433-L540 HydrophobicContact CG-CD2 4.44Å; A441-L540 HydrophobicContact CB-CD2 3.99Å; L459-L540 HydrophobicContact CD2-CD1 4.3Å; M462-L540 HydrophobicContact CE-CD1 4.02Å; T511-L540 HydrophobicContact CG2-CD1 3.51Å; T511-L540 HydrophobicContact CG2-CG 4Å; V512-L540 PolarHBondContact O-N 3.42Å; I513-L540 CarbonylContact C-O 3.58Å; I513-L540 WeakPolarHBondContact CA-O 3.31Å; I513-L540 HydrophobicContact CG1-CB 4.28Å; I513-L540 HydrophobicContact CG1-CD1 4.38Å; V514-L540 PolarHBondContact N-O 3.47Å; Q538-L540 HydrophobicContact CG-CD2 4.4Å; Q538-L540 HydrophobicContact CG-CG 4.3Å |
| 541 | I | 94.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.5 | 180 | -64.1 | -174.5 | 0 | 0 | 0 | 108.8 | A441 I442 V443 V514 L528 V539 L554 M557 | A441-I541 PolarHBondContact O-N 2.87Å; I442-I541 CarbonylContact C-O 3.59Å; I442-I541 VanDerWaalsContact CA-O 3.28Å; I442-I541 WeakPolarHBondContact CA-O 3.28Å; V443-I541 PolarHBondContact N-O 3.36Å; V514-I541 HydrophobicContact CB-CG1 4.32Å; V514-I541 HydrophobicContact CG2-CG1 4.25Å; L528-I541 HydrophobicContact CD2-CD1 4.32Å; V539-I541 HydrophobicContact CG1-CD1 4.32Å; V539-I541 HydrophobicContact CG1-CG1 3.87Å; I541-L554 HydrophobicContact CG2-CD1 3.62Å; I541-M557 HydrophobicContact CD1-CE 3.5Å; I541-M557 HydrophobicContact CD1-SD 3.77Å |
| 542 | T | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 138.7 | 172.3 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | V443 R455 V456 L459 I513 V514 D515 Q516 G517 | V443-T542 WeakPolarHBondContact O-CA 3.39Å; R455-T542 PolarHBondContact NH2-OG1 3.17Å; V456-T542 HydrophobicContact CG2-CG2 4.41Å; L459-T542 HydrophobicContact CD1-CG2 3.6Å; I513-T542 HydrophobicContact CG2-CG2 4.22Å; V514-T542 WeakPolarHBondContact O-CB 3.47Å; V514-T542 PolarHBondContact O-N 3.38Å; V514-T542 PolarHBondContact O-OG1 2.99Å; D515-T542 WeakPolarHBondContact CA-OG1 2.89Å; Q516-T542 PolarHBondContact N-OG1 3.05Å; Q516-T542 VanDerWaalsContact N-OG1 3.13Å; G517-T542 PolarHBondContact N-O 2.91Å |
| 543 | D | 88.9 | Confident | 82.1 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113.6 | 177.6 | 168.2 | 24.6 | 0 | 0 | 0 | 108.4 | I442 V443 S444 G445 E518 G545 L554 K558 | I442-D543 HydrophobicContact CG2-CB 4Å; V443-D543 PolarHBondContact O-N 2.91Å; S444-D543 CarbonylContact C-O 3.52Å; S444-D543 WeakPolarHBondContact CA-O 3.35Å; S444-D543 PolarHBondContact OG-OD2 2.78Å; G445-D543 PolarHBondContact N-O 3.42Å; E518-D543 WeakPolarHBondContact OE2-CA 3.27Å; D543-G545 VanDerWaalsContact C-N 3.33Å; D543-G545 WeakPolarHBondContact OD1-CA 3.4Å; D543-G545 PolarHBondContact OD1-N 2.93Å; D543-L554 HydrophobicContact CB-CD2 3.85Å; D543-K558 IonicContact OD2-NZ 4Å |
| 544 | S | 82.7 | Confident | 81.9 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | trans | -91.7 | 4.4 | 177.7 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | Q452 E518 Q546 | Q452-S544 PolarHBondContact NE2-OG 3.49Å; E518-S544 WeakPolarHBondContact OE1-CA 3.42Å; E518-S544 WeakPolarHBondContact OE1-CB 3.1Å; E518-S544 PolarHBondContact OE1-N 2.92Å; E518-S544 PolarHBondContact OE1-OG 2.97Å; E518-S544 PolarHBondContact OE2-N 3.3Å; S544-Q546 PolarHBondContact O-N 3.37Å | ||
| 545 | G | 77.4 | Confident | 81.5 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 25% | 0.247 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 67.4 | 22.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E518 D543 A807 N810 | E518-G545 PolarHBondContact OE1-N 3.02Å; D543-G545 VanDerWaalsContact C-N 3.33Å; D543-G545 WeakPolarHBondContact OD1-CA 3.4Å; D543-G545 PolarHBondContact OD1-N 2.93Å; G545-A807 VanDerWaalsContact O-CA 3.22Å; G545-A807 WeakPolarHBondContact O-CA 3.48Å; G545-A807 WeakPolarHBondContact O-CB 3.28Å; G545-N810 PolarHBondContact O-ND2 3.13Å |
| 546 | Q | 79.2 | Confident | 81.5 | Confident | 15 Ų | 15 | 23 Ų | 23 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | trans | -78.2 | 177 | 170.2 | -65.2 | -169.2 | -4.1 | 0 | 0 | 110.9 | E518 S544 T548 N810 | E518-Q546 HydrophobicContact CG-CB 4.24Å; E518-Q546 WeakPolarHBondContact OE1-CB 3.21Å; E518-Q546 PolarHBondContact OE1-N 3.29Å; S544-Q546 PolarHBondContact O-N 3.37Å; Q546-T548 PolarHBondContact O-N 3.27Å; Q546-N810 HydrophobicContact CG-CB 4.22Å; Q546-N810 PolarHBondContact NE2-O 3.09Å; Q546-N810 VanDerWaalsContact NE2-O 3.16Å | ||
| 547 | R | 73.2 | Confident | 81.5 | Confident | 160 Ų | 160 | 20 Ų | 20 | 60% | 0.604 | 11% | 0.111 | S | C | * | . | trans | -65.9 | 129.6 | -178.9 | -154.3 | 175.7 | 112.5 | 162.3 | 4.5 | 110.1 | A807 F840 | R547-A807 HydrophobicContact CB-CB 4.4Å; R547-F840 HydrophobicContact CG-CE2 3.98Å; R547-F840 HydrophobicContact CG-CZ 3.83Å | ||
| 548 | T | 71.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 23.3 Ų | 23.3 | 18% | 0.178 | 13% | 0.126 | C | C | . | . | trans | -64 | 149.1 | -178.3 | 4.3 | 0 | 0 | 0 | 0 | 112.5 | E518 Q546 F840 | E518-T548 HydrophobicContact CB-CG2 4.13Å; E518-T548 CarbonylContact O-C 3.49Å; E518-T548 VanDerWaalsContact O-CA 3.24Å; E518-T548 WeakPolarHBondContact O-CA 3.34Å; E518-T548 WeakPolarHBondContact O-CG2 3.28Å; Q546-T548 PolarHBondContact O-N 3.27Å; T548-F840 WeakPolarHBondContact OG1-CD2 3.22Å; T548-F840 VanDerWaalsContact OG1-CE2 3.29Å; T548-F840 WeakPolarHBondContact OG1-CE2 3.33Å; T548-F840 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 549 | G | 64.3 | Low | 80.8 | Confident | 24 Ų | 24 | 26.3 Ų | 26.3 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | trans | -64.3 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E518 G551 | E518-G549 PolarHBondContact O-N 2.71Å; G549-G551 PolarHBondContact O-N 2.54Å | ||
| 550 | T | 62.6 | Low | 80.5 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 32% | 0.319 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -68.5 | 118.7 | 179.4 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | E336 R337 | E336-T550 PolarHBondContact O-OG1 3.29Å; R337-T550 VanDerWaalsContact O-CG2 3.26Å; R337-T550 WeakPolarHBondContact O-CG2 3.28Å |
| 551 | G | 60.4 | Low | 80.2 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 75 | 121.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G549 A553 | G549-G551 PolarHBondContact O-N 2.54Å; G551-A553 PolarHBondContact O-N 3.28Å |
| 552 | S | 71.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | trans | -74.6 | 70.8 | -173.9 | -163.4 | 0 | 0 | 0 | 0 | 111.5 | L554 M555 A556 F840 | S552-L554 PolarHBondContact O-N 2.67Å; S552-M555 PolarHBondContact O-N 3.11Å; S552-M555 VanDerWaalsContact O-N 3.07Å; S552-M555 WeakPolarHBondContact OG-CB 3.24Å; S552-A556 PolarHBondContact O-N 3.37Å; S552-F840 PolarHBondContact OG-O 3.38Å | ||
| 553 | A | 81.6 | Confident | 80 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.3 | -40 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L522 T525 G551 M555 A556 M557 | L522-A553 HydrophobicContact CD2-CB 3.88Å; L522-A553 HydrophobicContact CG-CB 4.47Å; T525-A553 HydrophobicContact CG2-CB 4.21Å; T525-A553 VanDerWaalsContact OG1-CB 3.32Å; T525-A553 WeakPolarHBondContact OG1-CB 3.23Å; G551-A553 PolarHBondContact O-N 3.28Å; A553-M555 VanDerWaalsContact C-N 3.35Å; A553-M555 PolarHBondContact O-N 3.5Å; A553-A556 PolarHBondContact O-N 2.71Å; A553-M557 WeakPolarHBondContact O-CE 3.3Å; A553-M557 WeakPolarHBondContact O-CG 3.24Å; A553-M557 PolarHBondContact O-N 3.26Å |
| 554 | L | 84.5 | Confident | 80 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.8 | -145 | 101.4 | 0 | 0 | 0 | 112.3 | I442 I541 D543 S552 M557 K558 | I442-L554 HydrophobicContact CD1-CG 4.16Å; I442-L554 HydrophobicContact CG2-CD2 4.14Å; I541-L554 HydrophobicContact CG2-CD1 3.62Å; D543-L554 HydrophobicContact CB-CD2 3.85Å; S552-L554 PolarHBondContact O-N 2.67Å; L554-M557 HydrophobicContact CD1-CE 4.31Å; L554-M557 PolarHBondContact O-N 2.83Å; L554-K558 WeakPolarHBondContact O-CG 3.42Å; L554-K558 PolarHBondContact O-N 2.88Å |
| 555 | M | 79.7 | Confident | 80.4 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.4 | -40.8 | 176.2 | -162.1 | 76.6 | 98.7 | 0 | 0 | 111.2 | S552 A553 M557 K558 D559 F840 V842 | S552-M555 PolarHBondContact O-N 3.11Å; S552-M555 VanDerWaalsContact O-N 3.07Å; S552-M555 WeakPolarHBondContact OG-CB 3.24Å; A553-M555 VanDerWaalsContact C-N 3.35Å; A553-M555 PolarHBondContact O-N 3.5Å; M555-M557 PolarHBondContact O-N 2.86Å; M555-K558 PolarHBondContact O-N 3.42Å; M555-K558 VanDerWaalsContact O-N 3.09Å; M555-K558 HydrophobicContact SD-CD 4.39Å; M555-D559 VanDerWaalsContact O-CG 3.3Å; M555-D559 PolarHBondContact O-N 2.73Å; M555-F840 WeakPolarHBondContact CE-O 3.11Å; M555-V842 HydrophobicContact CB-CG1 3.87Å; M555-V842 HydrophobicContact CG-CG1 4.02Å |
| 556 | A | 85.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E396 V399 R400 S552 A553 A560 V842 | E396-A556 HydrophobicContact CG-CB 3.81Å; V399-A556 HydrophobicContact CG1-CB 4.21Å; R400-A556 WeakPolarHBondContact CG-O 3.12Å; S552-A556 PolarHBondContact O-N 3.37Å; A553-A556 PolarHBondContact O-N 2.71Å; A556-A560 PolarHBondContact O-N 2.8Å; A556-A560 VanDerWaalsContact O-N 3.1Å; A556-V842 HydrophobicContact CB-CG1 4.3Å |
| 557 | M | 89.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 173.4 | -71.2 | -173.8 | -78 | 0 | 0 | 112.7 | V399 S403 I442 T525 L529 I541 A553 L554 M555 D559 A560 G561 V562 | V399-M557 HydrophobicContact CG1-CG 3.72Å; S403-M557 WeakPolarHBondContact OG-CG 3.36Å; I442-M557 HydrophobicContact CD1-CB 4.26Å; T525-M557 HydrophobicContact CG2-CE 3.89Å; T525-M557 HydrophobicContact CG2-SD 4.06Å; L529-M557 HydrophobicContact CD1-SD 4.48Å; I541-M557 HydrophobicContact CD1-CE 3.5Å; I541-M557 HydrophobicContact CD1-SD 3.77Å; A553-M557 WeakPolarHBondContact O-CE 3.3Å; A553-M557 WeakPolarHBondContact O-CG 3.24Å; A553-M557 PolarHBondContact O-N 3.26Å; L554-M557 HydrophobicContact CD1-CE 4.31Å; L554-M557 PolarHBondContact O-N 2.83Å; M555-M557 PolarHBondContact O-N 2.86Å; M557-D559 VanDerWaalsContact C-N 3.34Å; M557-D559 PolarHBondContact O-N 2.95Å; M557-A560 VanDerWaalsContact O-CB 3.27Å; M557-A560 WeakPolarHBondContact O-CB 3.29Å; M557-A560 PolarHBondContact O-N 2.91Å; M557-A560 VanDerWaalsContact O-N 3.08Å; M557-G561 PolarHBondContact O-N 2.73Å; M557-V562 HydrophobicContact CB-CB 4.42Å; M557-V562 HydrophobicContact CB-CG2 4.1Å; M557-V562 WeakPolarHBondContact O-CB 3.14Å; M557-V562 VanDerWaalsContact O-CG2 3.24Å; M557-V562 WeakPolarHBondContact O-CG2 3.31Å; M557-V562 PolarHBondContact O-N 2.62Å |
| 558 | K | 86.3 | Confident | 81 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.6 | -75.6 | 175.6 | -176.2 | -179.8 | 0 | 111.1 | I442 D543 L554 M555 A560 G561 T564 | I442-K558 HydrophobicContact CD1-CG 3.82Å; D543-K558 IonicContact OD2-NZ 4Å; L554-K558 WeakPolarHBondContact O-CG 3.42Å; L554-K558 PolarHBondContact O-N 2.88Å; M555-K558 PolarHBondContact O-N 3.42Å; M555-K558 VanDerWaalsContact O-N 3.09Å; M555-K558 HydrophobicContact SD-CD 4.39Å; K558-A560 PolarHBondContact O-N 2.93Å; K558-G561 PolarHBondContact O-N 3.24Å; K558-T564 HydrophobicContact CD-CG2 4.48Å; K558-T564 HydrophobicContact CG-CG2 4.46Å |
| 559 | D | 82 | Confident | 80.7 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.3 | -21.3 | 177.3 | -61.4 | -9.6 | 0 | 0 | 0 | 113.4 | R400 M555 M557 G561 | R400-D559 IonicContact CZ-OD2 3.06Å; R400-D559 IonicContact NH2-OD2 2.88Å; R400-D559 PolarHBondContact NH2-OD2 2.85Å; M555-D559 VanDerWaalsContact O-CG 3.3Å; M555-D559 PolarHBondContact O-N 2.73Å; M557-D559 VanDerWaalsContact C-N 3.34Å; M557-D559 PolarHBondContact O-N 2.95Å; D559-G561 PolarHBondContact O-N 2.88Å |
| 560 | A | 87.8 | Confident | 80.7 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R400 R404 A556 M557 K558 | R400-A560 HydrophobicContact CB-CB 4.38Å; R400-A560 HydrophobicContact CG-CB 3.6Å; R404-A560 HydrophobicContact CG-CB 4.34Å; R404-A560 PolarHBondContact NE-O 2.95Å; A556-A560 PolarHBondContact O-N 2.8Å; A556-A560 VanDerWaalsContact O-N 3.1Å; M557-A560 VanDerWaalsContact O-CB 3.27Å; M557-A560 WeakPolarHBondContact O-CB 3.29Å; M557-A560 PolarHBondContact O-N 2.91Å; M557-A560 VanDerWaalsContact O-N 3.08Å; K558-A560 PolarHBondContact O-N 2.93Å |
| 561 | G | 88.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 49 Ų | 49 | 46% | 0.464 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 21 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | M557 K558 D559 | M557-G561 PolarHBondContact O-N 2.73Å; K558-G561 PolarHBondContact O-N 3.24Å; D559-G561 PolarHBondContact O-N 2.88Å |
| 562 | V | 91.7 | Very high | 81 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 127.8 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | M407 L440 I442 M557 T564 | M407-V562 HydrophobicContact CE-CG2 3.98Å; M407-V562 HydrophobicContact SD-CB 4.45Å; M407-V562 HydrophobicContact SD-CG2 3.96Å; L440-V562 HydrophobicContact CD2-CG1 4.37Å; L440-V562 HydrophobicContact CD2-CG2 3.65Å; L440-V562 HydrophobicContact CG-CG1 3.97Å; L440-V562 HydrophobicContact CG-CG2 4.16Å; I442-V562 HydrophobicContact CD1-CB 4.41Å; I442-V562 HydrophobicContact CD1-CG1 4.04Å; I442-V562 HydrophobicContact CG1-CG1 3.96Å; M557-V562 HydrophobicContact CB-CB 4.42Å; M557-V562 HydrophobicContact CB-CG2 4.1Å; M557-V562 WeakPolarHBondContact O-CB 3.14Å; M557-V562 VanDerWaalsContact O-CG2 3.24Å; M557-V562 WeakPolarHBondContact O-CG2 3.31Å; M557-V562 PolarHBondContact O-N 2.62Å; V562-T564 PolarHBondContact O-N 2.7Å |
| 563 | N | 91.6 | Very high | 80.8 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 132.9 | -179.4 | -71 | -10 | 0 | 0 | 0 | 112.2 | I442 Y565 | I442-N563 PolarHBondContact N-O 3.44Å; N563-Y565 HydrophobicContact CB-CE2 3.69Å; N563-Y565 PolarHBondContact ND2-OH 2.82Å |
| 564 | T | 88.8 | Confident | 80.4 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125 | 171.2 | 20 | 0 | 0 | 0 | 0 | 111.6 | I442 K558 V562 | I442-T564 HydrophobicContact CB-CG2 3.66Å; I442-T564 HydrophobicContact CD1-CG2 4.35Å; I442-T564 HydrophobicContact CG2-CG2 3.67Å; I442-T564 CarbonylContact O-C 3.53Å; I442-T564 VanDerWaalsContact O-CA 3.3Å; I442-T564 WeakPolarHBondContact O-CA 3.4Å; K558-T564 HydrophobicContact CD-CG2 4.48Å; K558-T564 HydrophobicContact CG-CG2 4.46Å; V562-T564 PolarHBondContact O-N 2.7Å |
| 565 | Y | 90.5 | Very high | 80.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.8 | 176.1 | -56.8 | -88.8 | 0 | 0 | 0 | 109.6 | V432 L433 D436 P438 A441 I442 V443 S444 N563 | V432-Y565 HydrophobicContact CB-CD1 4.38Å; V432-Y565 HydrophobicContact CB-CE1 4.5Å; V432-Y565 HydrophobicContact CG1-CD1 4.07Å; V432-Y565 HydrophobicContact CG1-CE1 3.79Å; L433-Y565 HydrophobicContact CD1-CD2 3.73Å; L433-Y565 HydrophobicContact CD1-CE2 3.53Å; L433-Y565 HydrophobicContact CD1-CG 4.38Å; D436-Y565 PolarHBondContact OD2-OH 2.82Å; P438-Y565 HydrophobicContact CG-CE2 4.05Å; A441-Y565 HydrophobicContact CB-CD2 4.01Å; A441-Y565 HydrophobicContact CB-CE2 3.66Å; I442-Y565 PolarHBondContact O-N 3.28Å; V443-Y565 CarbonylContact C-O 3.57Å; V443-Y565 WeakPolarHBondContact CA-O 3.13Å; S444-Y565 PolarHBondContact N-O 3.43Å; N563-Y565 HydrophobicContact CB-CE2 3.69Å; N563-Y565 PolarHBondContact ND2-OH 2.82Å |
| 566 | R | 85.8 | Confident | 81 | Confident | 192 Ų | 192 | 63.7 Ų | 63.7 | 73% | 0.725 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 109.6 | -171.2 | -159 | 176.6 | -172.5 | 172.6 | 2.5 | 111.2 | A429 S444 | A429-R566 WeakPolarHBondContact CB-O 3.43Å; S444-R566 CarbonylContact O-C 3.59Å; S444-R566 WeakPolarHBondContact O-CA 3.47Å |
| 567 | W | 85.5 | Confident | 81.2 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130 | -179.6 | -175.9 | 84.9 | 0 | 0 | 0 | 111.5 | S427 A429 V443 S444 Q446 E454 R455 E458 G569 | S427-W567 PolarHBondContact OG-NE1 2.71Å; A429-W567 HydrophobicContact CB-CB 4.31Å; V443-W567 HydrophobicContact CG1-CB 4.27Å; S444-W567 PolarHBondContact O-N 2.76Å; Q446-W567 WeakPolarHBondContact O-CZ3 3.43Å; E454-W567 HydrophobicContact CB-CH2 4.32Å; E454-W567 HydrophobicContact CB-CZ2 4.15Å; E454-W567 HydrophobicContact CG-CZ2 4.11Å; R455-W567 HydrophobicContact CB-CD2 4.22Å; R455-W567 HydrophobicContact CB-CZ2 4.38Å; R455-W567 HydrophobicContact CG-CD2 4.44Å; R455-W567 HydrophobicContact CG-CG 4.39Å; E458-W567 PolarHBondContact OE2-NE1 3.49Å; W567-G569 VanDerWaalsContact CH2-CA 3.5Å |
| 568 | Q | 72.3 | Confident | 81.3 | Confident | 179 Ų | 179 | 66 Ų | 66 | 84% | 0.836 | 35% | 0.353 | S | S | * | . | trans | -113.1 | 19 | -173.7 | -64.3 | -172.4 | 6.5 | 0 | 0 | 114.7 | ||||
| 569 | G | 63.2 | Low | 81.5 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | trans | -84.8 | -8.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | W567 | W567-G569 VanDerWaalsContact CH2-CA 3.5Š| ||
| 570 | G | 64.4 | Low | 81.9 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | trans | -91.9 | 122.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q572 | G570-Q572 PolarHBondContact O-N 3.43Š| ||
| 571 | E | 64.6 | Low | 81.6 | Confident | 126 Ų | 126 | 66 Ų | 66 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | trans | -72.1 | 85.7 | 168.4 | -163.7 | -159.8 | 150.6 | 0 | 0 | 109.8 | R573 R817 | E571-R573 IonicContact OE1-CZ 2.81Å; E571-R573 IonicContact OE1-NE 3.56Å; E571-R573 PolarHBondContact OE1-NE 3.38Å; E571-R573 IonicContact OE1-NH2 3.78Å; E571-R573 PolarHBondContact OE1-NH2 3.35Å; E571-R817 IonicContact OE1-NH2 3.34Å; E571-R817 PolarHBondContact OE1-NH2 2.81Å; E571-R817 IonicContact OE2-CZ 3.15Å; E571-R817 IonicContact OE2-NH2 3.31Å; E571-R817 PolarHBondContact OE2-NH2 2.75Å | ||
| 572 | Q | 64.6 | Low | 81.4 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -88.9 | 105.6 | 173.1 | -167.5 | 171 | 3.8 | 0 | 0 | 109.7 | Q446 G570 N810 | Q446-Q572 VanDerWaalsContact CB-OE1 3.23Å; G570-Q572 PolarHBondContact O-N 3.43Å; Q572-N810 PolarHBondContact NE2-OD1 2.9Å | ||
| 573 | R | 68.6 | Low | 81.3 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 140.6 | 174.8 | -70.3 | -170.4 | 173.2 | -152.6 | -2.2 | 110.3 | E571 | E571-R573 IonicContact OE1-CZ 2.81Å; E571-R573 IonicContact OE1-NE 3.56Å; E571-R573 PolarHBondContact OE1-NE 3.38Å; E571-R573 IonicContact OE1-NH2 3.78Å; E571-R573 PolarHBondContact OE1-NH2 3.35Å |
| 574 | P | 73.7 | Confident | 81.1 | Confident | 118 Ų | 118 | 63 Ų | 63 | 77% | 0.766 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 142 | 171.7 | -20.6 | 30.8 | 0 | 0 | 0 | 110.5 | ||
| 575 | A | 84.3 | Confident | 81.1 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 13% | 0.132 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -68 | 137.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | I577 L809 V819 | A575-I577 PolarHBondContact O-N 3.38Å; A575-L809 HydrophobicContact CB-CD1 3.92Å; A575-V819 CarbonylContact C-O 3.58Å; A575-V819 VanDerWaalsContact CA-O 3.29Å; A575-V819 WeakPolarHBondContact CA-O 3.49Å; A575-V819 HydrophobicContact CB-CB 4.05Å; A575-V819 HydrophobicContact CB-CG1 4.04Å |
| 576 | T | 91.4 | Very high | 81.2 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 111.7 | 170.1 | -58.5 | 0 | 0 | 0 | 0 | 108.3 | I578 V819 R820 L821 | T576-I578 HydrophobicContact CG2-CG1 4.49Å; T576-V819 PolarHBondContact N-O 3.41Å; T576-R820 CarbonylContact O-C 3.18Å; T576-R820 WeakPolarHBondContact O-CA 3.3Å; T576-L821 PolarHBondContact O-N 3.43Å |
| 577 | I | 90.5 | Very high | 81.6 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.3 | -178 | -60.3 | 165 | 0 | 0 | 0 | 109.3 | A575 E827 T830 A831 L834 | A575-I577 PolarHBondContact O-N 3.38Å; I577-E827 HydrophobicContact CB-CG 4.12Å; I577-E827 HydrophobicContact CD1-CG 4.35Å; I577-E827 HydrophobicContact CG2-CB 4.4Å; I577-E827 HydrophobicContact CG2-CG 4.14Å; I577-T830 HydrophobicContact CD1-CG2 3.97Å; I577-T830 HydrophobicContact CG1-CG2 4.12Å; I577-T830 HydrophobicContact CG2-CG2 3.66Å; I577-A831 HydrophobicContact CD1-CB 4.22Å; I577-L834 HydrophobicContact CD1-CD1 4.04Å; I577-L834 HydrophobicContact CG1-CD1 4.32Å |
| 578 | I | 91.9 | Very high | 82 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 108.8 | 175.9 | -58.5 | 166.2 | 0 | 0 | 0 | 107.1 | T576 R589 R820 L821 Y822 S823 | T576-I578 HydrophobicContact CG2-CG1 4.49Å; I578-R589 VanDerWaalsContact CG2-CZ 3.43Å; I578-R820 HydrophobicContact CD1-CB 4.44Å; I578-L821 PolarHBondContact N-O 3.01Å; I578-Y822 HydrophobicContact CB-CD1 3.9Å; I578-Y822 HydrophobicContact CB-CE1 4.06Å; I578-Y822 HydrophobicContact CB-CG 4.38Å; I578-Y822 HydrophobicContact CD1-CD1 4.19Å; I578-Y822 HydrophobicContact CD1-CE1 3.54Å; I578-Y822 HydrophobicContact CD1-CE2 3.99Å; I578-Y822 VanDerWaalsContact CD1-CZ 3.42Å; I578-Y822 HydrophobicContact CG1-CE1 4.41Å; I578-Y822 HydrophobicContact CG2-CD1 3.8Å; I578-Y822 HydrophobicContact CG2-CE1 3.86Å; I578-Y822 CarbonylContact O-C 3.58Å; I578-Y822 VanDerWaalsContact O-CA 3.3Å; I578-Y822 WeakPolarHBondContact O-CA 3.44Å; I578-S823 PolarHBondContact O-N 3Å |
| 579 | S | 89.2 | Confident | 83 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.3 | -175.8 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | L825 E827 | S579-L825 VanDerWaalsContact CB-O 3.24Å; S579-L825 WeakPolarHBondContact CB-O 3.32Å; S579-L825 PolarHBondContact OG-O 3.48Å; S579-E827 WeakPolarHBondContact OG-CA 3.17Å; S579-E827 PolarHBondContact OG-N 2.94Å |
| 580 | E | 90 | Very high | 84.6 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | trans | -139 | 103.3 | 176.5 | -172.2 | 61.8 | -115 | 0 | 0 | 109.4 | D582 V585 R586 S823 | E580-D582 PolarHBondContact O-N 3.2Å; E580-V585 HydrophobicContact CG-CB 3.98Å; E580-V585 HydrophobicContact CG-CG1 3.79Å; E580-R586 HydrophobicContact CB-CB 3.9Å; E580-R586 HydrophobicContact CB-CG 4.09Å; E580-R586 HydrophobicContact CG-CB 3.9Å; E580-R586 PolarHBondContact O-NE 2.83Å; E580-R586 PolarHBondContact O-NH2 3.22Å; E580-S823 CarbonylContact C-O 3.54Å; E580-S823 PolarHBondContact N-O 3.4Å; E580-S823 VanDerWaalsContact O-O 3.11Å | ||
| 581 | P | 82 | Confident | 86 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | trans | -67.9 | -36.6 | -169.9 | 24.8 | -33.3 | 0 | 0 | 0 | 113.6 | R583 R586 G1362 | P581-R583 PolarHBondContact O-N 3Å; P581-R586 PolarHBondContact O-NH2 2.86Å; P581-G1362 WeakPolarHBondContact O-CA 3.11Å; P581-G1362 PolarHBondContact O-N 3.35Å | ||
| 582 | D | 84.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.5 | 125 | 178.5 | -174 | -49.2 | 0 | 0 | 0 | 110.4 | E580 N584 V585 R586 R1388 | E580-D582 PolarHBondContact O-N 3.2Å; D582-N584 VanDerWaalsContact C-N 3.34Å; D582-N584 PolarHBondContact O-N 3.39Å; D582-N584 WeakPolarHBondContact OD1-CB 3.44Å; D582-N584 PolarHBondContact OD1-N 3.32Å; D582-V585 HydrophobicContact CB-CB 4.11Å; D582-V585 HydrophobicContact CB-CG2 3.92Å; D582-V585 PolarHBondContact O-N 3.01Å; D582-V585 PolarHBondContact OD1-N 3.49Å; D582-R586 WeakPolarHBondContact O-CB 3.33Å; D582-R586 PolarHBondContact O-N 3.03Å; D582-R1388 WeakPolarHBondContact OD2-CG 3.36Å |
| 583 | R | 89.7 | Confident | 89 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | -178.9 | -179 | -167.9 | 74.5 | 172.2 | 7.3 | 112.4 | P581 R586 Y587 E1395 E1398 | P581-R583 PolarHBondContact O-N 3Å; R583-R586 PolarHBondContact O-N 3.38Å; R583-Y587 HydrophobicContact CG-CD2 4.05Å; R583-Y587 HydrophobicContact CG-CE1 4.44Å; R583-Y587 HydrophobicContact CG-CE2 3.76Å; R583-Y587 WeakPolarHBondContact O-CB 3.48Å; R583-Y587 PolarHBondContact O-N 3.23Å; R583-E1395 IonicContact CZ-OE1 2.62Å; R583-E1395 IonicContact CZ-OE2 3.55Å; R583-E1395 IonicContact NH1-OE1 2.62Å; R583-E1395 IonicContact NH1-OE2 2.82Å; R583-E1395 PolarHBondContact NH1-OE2 3.18Å; R583-E1395 VanDerWaalsContact NH2-CD 3.33Å; R583-E1395 IonicContact NH2-OE1 2.74Å; R583-E1395 PolarHBondContact NH2-OE1 3.21Å; R583-E1395 IonicContact NH2-OE2 3.1Å; R583-E1395 PolarHBondContact NH2-OE2 3.3Å; R583-E1395 VanDerWaalsContact NH2-OE2 3.11Å; R583-E1398 IonicContact NH2-OE1 3.75Å |
| 584 | N | 87.6 | Confident | 90.2 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71 | -41.6 | -174.8 | -67 | -21.3 | 0 | 0 | 0 | 110.4 | D582 Y587 A588 V1389 | D582-N584 VanDerWaalsContact C-N 3.34Å; D582-N584 PolarHBondContact O-N 3.39Å; D582-N584 WeakPolarHBondContact OD1-CB 3.44Å; D582-N584 PolarHBondContact OD1-N 3.32Å; N584-Y587 PolarHBondContact O-N 2.89Å; N584-A588 VanDerWaalsContact O-CB 3.29Å; N584-A588 WeakPolarHBondContact O-CB 3.36Å; N584-A588 PolarHBondContact O-N 2.91Å; N584-V1389 PolarHBondContact ND2-O 3Å |
| 585 | V | 89.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | E580 D582 Y587 A588 R589 | E580-V585 HydrophobicContact CG-CB 3.98Å; E580-V585 HydrophobicContact CG-CG1 3.79Å; D582-V585 HydrophobicContact CB-CB 4.11Å; D582-V585 HydrophobicContact CB-CG2 3.92Å; D582-V585 PolarHBondContact O-N 3.01Å; D582-V585 PolarHBondContact OD1-N 3.49Å; V585-Y587 PolarHBondContact O-N 3.4Å; V585-A588 PolarHBondContact O-N 3.01Å; V585-R589 WeakPolarHBondContact O-CB 3.4Å; V585-R589 PolarHBondContact O-N 3.07Å |
| 586 | R | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -48.1 | 176.4 | -171.6 | -171.3 | -39.3 | 149.6 | 24.7 | 111.7 | E580 P581 D582 R583 R589 L590 Y822 S824 E1360 | E580-R586 HydrophobicContact CB-CB 3.9Å; E580-R586 HydrophobicContact CB-CG 4.09Å; E580-R586 HydrophobicContact CG-CB 3.9Å; E580-R586 PolarHBondContact O-NE 2.83Å; E580-R586 PolarHBondContact O-NH2 3.22Å; P581-R586 PolarHBondContact O-NH2 2.86Å; D582-R586 WeakPolarHBondContact O-CB 3.33Å; D582-R586 PolarHBondContact O-N 3.03Å; R583-R586 PolarHBondContact O-N 3.38Å; R586-R589 PolarHBondContact O-N 3.05Å; R586-L590 VanDerWaalsContact O-CB 3.31Å; R586-L590 WeakPolarHBondContact O-CB 3.47Å; R586-L590 PolarHBondContact O-N 2.92Å; R586-Y822 HydrophobicContact CG-CD1 4.44Å; R586-Y822 HydrophobicContact CG-CG 4.48Å; R586-S824 VanDerWaalsContact NH2-CB 3.3Å; R586-E1360 IonicContact NH1-OE2 3.53Å; R586-E1360 PolarHBondContact NH2-O 2.97Å |
| 587 | Y | 94.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.6 | -34.7 | -179.9 | -71.8 | -1.2 | 0 | 0 | 0 | 112.5 | R583 N584 V585 A591 I616 L617 | R583-Y587 HydrophobicContact CG-CD2 4.05Å; R583-Y587 HydrophobicContact CG-CE1 4.44Å; R583-Y587 HydrophobicContact CG-CE2 3.76Å; R583-Y587 WeakPolarHBondContact O-CB 3.48Å; R583-Y587 PolarHBondContact O-N 3.23Å; N584-Y587 PolarHBondContact O-N 2.89Å; V585-Y587 PolarHBondContact O-N 3.4Å; Y587-A591 WeakPolarHBondContact O-CB 3.44Å; Y587-A591 PolarHBondContact O-N 3.42Å; Y587-I616 HydrophobicContact CD2-CG2 3.89Å; Y587-I616 HydrophobicContact CE2-CB 4.43Å; Y587-I616 HydrophobicContact CE2-CG2 4.07Å; Y587-L617 HydrophobicContact CD1-CD1 4.11Å; Y587-L617 HydrophobicContact CD2-CB 4.4Å; Y587-L617 HydrophobicContact CD2-CD1 4.36Å; Y587-L617 HydrophobicContact CE2-CB 4.48Å; Y587-L617 HydrophobicContact CG-CD1 3.87Å |
| 588 | A | 92.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 30.6 Ų | 30.6 | 49% | 0.488 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.5 | -44 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N584 V585 A591 G592 | N584-A588 VanDerWaalsContact O-CB 3.29Å; N584-A588 WeakPolarHBondContact O-CB 3.36Å; N584-A588 PolarHBondContact O-N 2.91Å; V585-A588 PolarHBondContact O-N 3.01Å; A588-A591 PolarHBondContact O-N 2.87Å; A588-G592 PolarHBondContact O-N 3.36Å |
| 589 | R | 94.1 | Very high | 91.7 | Very high | 116 Ų | 116 | 35.8 Ų | 35.8 | 44% | 0.438 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 176.1 | -172.3 | 178.4 | 176.8 | 173.9 | -1.1 | 112 | I578 V585 R586 A591 G592 D593 Y822 | I578-R589 VanDerWaalsContact CG2-CZ 3.43Å; V585-R589 WeakPolarHBondContact O-CB 3.4Å; V585-R589 PolarHBondContact O-N 3.07Å; R586-R589 PolarHBondContact O-N 3.05Å; R589-A591 VanDerWaalsContact C-N 3.32Å; R589-A591 PolarHBondContact O-N 3.47Å; R589-G592 PolarHBondContact O-N 3Å; R589-D593 PolarHBondContact O-N 2.87Å; R589-Y822 HydrophobicContact CG-CE1 4.13Å |
| 590 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.9 | -169.9 | 168.1 | 0 | 0 | 0 | 110.5 | R586 G592 D593 F594 L617 I621 F796 Y822 | R586-L590 VanDerWaalsContact O-CB 3.31Å; R586-L590 WeakPolarHBondContact O-CB 3.47Å; R586-L590 PolarHBondContact O-N 2.92Å; L590-G592 VanDerWaalsContact C-N 3.35Å; L590-G592 PolarHBondContact O-N 3.25Å; L590-D593 PolarHBondContact O-N 2.87Å; L590-F594 HydrophobicContact CD2-CB 4.38Å; L590-F594 WeakPolarHBondContact O-CB 3.35Å; L590-F594 PolarHBondContact O-N 2.92Å; L590-L617 HydrophobicContact CD1-CD1 4.43Å; L590-L617 HydrophobicContact CD1-CD2 4.16Å; L590-L617 HydrophobicContact CD2-CD1 4.07Å; L590-L617 HydrophobicContact CD2-CD2 4.05Å; L590-I621 HydrophobicContact CD2-CD1 4.45Å; L590-F796 HydrophobicContact CD2-CB 3.92Å; L590-F796 HydrophobicContact CG-CB 4.24Å; L590-Y822 HydrophobicContact CB-CD1 4.13Å; L590-Y822 HydrophobicContact CB-CD2 4.13Å; L590-Y822 HydrophobicContact CB-CE1 4.1Å; L590-Y822 HydrophobicContact CB-CE2 4.12Å; L590-Y822 HydrophobicContact CB-CG 4.15Å; L590-Y822 HydrophobicContact CD1-CD2 3.7Å; L590-Y822 HydrophobicContact CD1-CE2 4.23Å; L590-Y822 HydrophobicContact CD1-CG 4.07Å; L590-Y822 HydrophobicContact CG-CD2 3.75Å; L590-Y822 HydrophobicContact CG-CE2 3.76Å; L590-Y822 HydrophobicContact CG-CG 4.23Å |
| 591 | A | 95.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y587 A588 R589 A595 A620 I621 E624 | Y587-A591 WeakPolarHBondContact O-CB 3.44Å; Y587-A591 PolarHBondContact O-N 3.42Å; A588-A591 PolarHBondContact O-N 2.87Å; R589-A591 VanDerWaalsContact C-N 3.32Å; R589-A591 PolarHBondContact O-N 3.47Å; A591-A595 WeakPolarHBondContact O-CB 3.37Å; A591-A595 PolarHBondContact O-N 3.44Å; A591-A620 HydrophobicContact CB-CB 4.21Å; A591-I621 HydrophobicContact CB-CG1 3.88Å; A591-E624 HydrophobicContact CB-CB 4.07Å; A591-E624 HydrophobicContact CB-CG 4.48Å |
| 592 | G | 95.4 | Very high | 92 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -52.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A588 R589 L590 F594 A595 A596 | A588-G592 PolarHBondContact O-N 3.36Å; R589-G592 PolarHBondContact O-N 3Å; L590-G592 VanDerWaalsContact C-N 3.35Å; L590-G592 PolarHBondContact O-N 3.25Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.43Å; G592-A595 PolarHBondContact O-N 2.8Å; G592-A596 WeakPolarHBondContact O-CB 3.38Å; G592-A596 PolarHBondContact O-N 3.45Å |
| 593 | D | 95.2 | Very high | 92.1 | Very high | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 179.6 | -65.3 | -30.7 | 0 | 0 | 0 | 111.1 | R589 L590 S597 F796 Y822 | R589-D593 PolarHBondContact O-N 2.87Å; L590-D593 PolarHBondContact O-N 2.87Å; D593-S597 PolarHBondContact O-N 2.81Å; D593-S597 VanDerWaalsContact O-N 3.13Å; D593-F796 HydrophobicContact CB-CD1 4.22Å; D593-F796 HydrophobicContact CB-CE1 3.71Å; D593-Y822 VanDerWaalsContact CB-OH 3.29Å; D593-Y822 WeakPolarHBondContact CB-OH 3.47Å; D593-Y822 PolarHBondContact OD2-OH 3.06Å |
| 594 | F | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -49.5 | 175 | 177.5 | -103.4 | 0 | 0 | 0 | 111.6 | L590 G592 A596 S597 V598 S604 A606 I621 W781 F796 | L590-F594 HydrophobicContact CD2-CB 4.38Å; L590-F594 WeakPolarHBondContact O-CB 3.35Å; L590-F594 PolarHBondContact O-N 2.92Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.43Å; F594-A596 VanDerWaalsContact C-N 3.29Å; F594-A596 PolarHBondContact O-N 3.08Å; F594-S597 PolarHBondContact O-N 2.86Å; F594-S597 VanDerWaalsContact O-N 3.1Å; F594-S597 PolarHBondContact O-OG 3.2Å; F594-V598 HydrophobicContact CD1-CG2 4.11Å; F594-V598 HydrophobicContact CD2-CG2 4.37Å; F594-V598 HydrophobicContact CE1-CG2 3.67Å; F594-V598 HydrophobicContact CE2-CG2 3.96Å; F594-V598 HydrophobicContact CG-CG2 4.45Å; F594-V598 HydrophobicContact CZ-CG2 3.59Å; F594-V598 WeakPolarHBondContact O-CG2 3.12Å; F594-V598 PolarHBondContact O-N 3.06Å; F594-S604 WeakPolarHBondContact CE2-OG 3.25Å; F594-A606 HydrophobicContact CD2-CB 4.1Å; F594-A606 HydrophobicContact CE2-CB 4.07Å; F594-A606 HydrophobicContact CG-CB 4.42Å; F594-A606 HydrophobicContact CZ-CB 4.36Å; F594-I621 HydrophobicContact CD1-CD1 3.91Å; F594-I621 HydrophobicContact CD1-CG1 4.07Å; F594-I621 HydrophobicContact CD1-CG2 3.69Å; F594-I621 HydrophobicContact CE1-CD1 4.23Å; F594-I621 HydrophobicContact CE1-CG2 3.67Å; F594-I621 HydrophobicContact CG-CD1 4.44Å; F594-W781 AromaticContact CE1-CE3 3.88Å; F594-W781 HydrophobicContact CE1-CE3 3.88Å; F594-W781 HydrophobicContact CE1-CZ3 4.37Å; F594-W781 HydrophobicContact CZ-CE3 4.06Å; F594-F796 HydrophobicContact CB-CD1 4.41Å; F594-F796 HydrophobicContact CB-CD2 4.39Å; F594-F796 HydrophobicContact CB-CG 4.23Å; F594-F796 HydrophobicContact CD2-CB 4.48Å; F594-F796 AromaticContact CD2-CD2 3.71Å; F594-F796 HydrophobicContact CD2-CD2 3.71Å; F594-F796 HydrophobicContact CD2-CE2 4.19Å; F594-F796 HydrophobicContact CD2-CG 4.21Å |
| 595 | A | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A591 G592 V598 K599 E624 L625 | A591-A595 WeakPolarHBondContact O-CB 3.37Å; A591-A595 PolarHBondContact O-N 3.44Å; G592-A595 PolarHBondContact O-N 2.8Å; A595-V598 PolarHBondContact O-N 2.7Å; A595-K599 WeakPolarHBondContact O-CB 3.42Å; A595-K599 PolarHBondContact O-N 3.43Å; A595-E624 HydrophobicContact CB-CB 4.4Å; A595-E624 HydrophobicContact CB-CG 3.74Å; A595-L625 HydrophobicContact CB-CD2 3.74Å; A595-L625 HydrophobicContact CB-CG 4.21Å |
| 596 | A | 93.7 | Very high | 92.7 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G592 F594 K599 A600 | G592-A596 WeakPolarHBondContact O-CB 3.38Å; G592-A596 PolarHBondContact O-N 3.45Å; F594-A596 VanDerWaalsContact C-N 3.29Å; F594-A596 PolarHBondContact O-N 3.08Å; A596-K599 PolarHBondContact O-N 2.67Å; A596-A600 WeakPolarHBondContact O-CB 3.38Å; A596-A600 PolarHBondContact O-N 2.83Å |
| 597 | S | 93.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 176.4 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | D593 F594 K599 A600 G601 E602 S604 F796 | D593-S597 PolarHBondContact O-N 2.81Å; D593-S597 VanDerWaalsContact O-N 3.13Å; F594-S597 PolarHBondContact O-N 2.86Å; F594-S597 VanDerWaalsContact O-N 3.1Å; F594-S597 PolarHBondContact O-OG 3.2Å; S597-K599 PolarHBondContact O-N 2.79Å; S597-A600 PolarHBondContact O-N 2.82Å; S597-G601 PolarHBondContact O-N 3.04Å; S597-E602 PolarHBondContact O-N 3.36Å; S597-E602 VanDerWaalsContact O-N 3.11Å; S597-S604 WeakPolarHBondContact OG-CB 3.34Å; S597-S604 PolarHBondContact OG-OG 3.08Å; S597-F796 WeakPolarHBondContact OG-CE2 3.39Å |
| 598 | V | 91.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | F594 A595 A600 G601 S604 L625 V630 W781 | F594-V598 HydrophobicContact CD1-CG2 4.11Å; F594-V598 HydrophobicContact CD2-CG2 4.37Å; F594-V598 HydrophobicContact CE1-CG2 3.67Å; F594-V598 HydrophobicContact CE2-CG2 3.96Å; F594-V598 HydrophobicContact CG-CG2 4.45Å; F594-V598 HydrophobicContact CZ-CG2 3.59Å; F594-V598 WeakPolarHBondContact O-CG2 3.12Å; F594-V598 PolarHBondContact O-N 3.06Å; A595-V598 PolarHBondContact O-N 2.7Å; V598-A600 VanDerWaalsContact C-N 3.3Å; V598-A600 PolarHBondContact O-N 3.38Å; V598-G601 PolarHBondContact O-N 2.9Å; V598-S604 WeakPolarHBondContact CG2-OG 3.31Å; V598-L625 HydrophobicContact CB-CD2 4.29Å; V598-L625 HydrophobicContact CG1-CD2 4.27Å; V598-V630 HydrophobicContact CG1-CG1 4.04Å; V598-W781 HydrophobicContact CG1-CZ3 4.27Å; V598-W781 HydrophobicContact CG2-CZ3 4.49Å |
| 599 | K | 90.7 | Very high | 92.1 | Very high | 128 Ų | 128 | 37.1 Ų | 37.1 | 56% | 0.557 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.4 | -34.3 | 176.5 | -173.8 | 169.9 | -178.8 | 164.2 | 0 | 112.6 | A595 A596 S597 G601 Q628 V630 | A595-K599 WeakPolarHBondContact O-CB 3.42Å; A595-K599 PolarHBondContact O-N 3.43Å; A596-K599 PolarHBondContact O-N 2.67Å; S597-K599 PolarHBondContact O-N 2.79Å; K599-G601 PolarHBondContact O-N 2.94Å; K599-Q628 HydrophobicContact CD-CB 4.39Å; K599-Q628 PolarHBondContact NZ-O 2.79Å; K599-V630 HydrophobicContact CB-CG2 3.82Å; K599-V630 HydrophobicContact CD-CG2 4.29Å; K599-V630 HydrophobicContact CG-CG2 4.04Å |
| 600 | A | 91.2 | Very high | 91.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 60% | 0.595 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -10.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A596 S597 V598 E602 | A596-A600 WeakPolarHBondContact O-CB 3.38Å; A596-A600 PolarHBondContact O-N 2.83Å; S597-A600 PolarHBondContact O-N 2.82Å; V598-A600 VanDerWaalsContact C-N 3.3Å; V598-A600 PolarHBondContact O-N 3.38Å; A600-E602 HydrophobicContact CB-CG 4.16Å |
| 601 | G | 86.3 | Confident | 90.5 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | 19 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S597 V598 K599 | S597-G601 PolarHBondContact O-N 3.04Å; V598-G601 PolarHBondContact O-N 2.9Å; K599-G601 PolarHBondContact O-N 2.94Å |
| 602 | E | 88.2 | Confident | 89.8 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | trans | -74.1 | 152.6 | 175.9 | -63 | 178.6 | 178.3 | 0 | 0 | 111.2 | S597 A600 S604 | S597-E602 PolarHBondContact O-N 3.36Å; S597-E602 VanDerWaalsContact O-N 3.11Å; A600-E602 HydrophobicContact CB-CG 4.16Å; E602-S604 PolarHBondContact O-N 3.44Å; E602-S604 VanDerWaalsContact O-N 3.13Å | ||
| 603 | E | 87.9 | Confident | 89.3 | Confident | 106 Ų | 106 | 45 Ų | 45 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | trans | -71.1 | 106.2 | 166.1 | -91.3 | -139.2 | 140 | 0 | 0 | 109.2 | S790 A793 T794 | E603-S790 PolarHBondContact OE2-OG 3.41Å; E603-A793 HydrophobicContact CB-CB 4Å; E603-A793 CarbonylContact O-C 3.58Å; E603-A793 WeakPolarHBondContact O-CA 3.39Å; E603-T794 PolarHBondContact O-N 2.57Å | ||
| 604 | S | 92 | Very high | 89 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.1 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | F594 S597 V598 E602 T794 | F594-S604 WeakPolarHBondContact CE2-OG 3.25Å; S597-S604 WeakPolarHBondContact OG-CB 3.34Å; S597-S604 PolarHBondContact OG-OG 3.08Å; V598-S604 WeakPolarHBondContact CG2-OG 3.31Å; E602-S604 PolarHBondContact O-N 3.44Å; E602-S604 VanDerWaalsContact O-N 3.13Å; S604-T794 WeakPolarHBondContact CA-O 3.49Å |
| 605 | V | 91.6 | Very high | 88.6 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.8 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | Q607 E783 A793 T794 V795 F796 | V605-Q607 HydrophobicContact CG1-CG 3.95Å; V605-E783 HydrophobicContact CG1-CG 4.37Å; V605-A793 HydrophobicContact CG2-CB 4.4Å; V605-T794 PolarHBondContact N-O 2.97Å; V605-V795 WeakPolarHBondContact O-CA 3.39Å; V605-F796 PolarHBondContact O-N 2.96Å |
| 606 | A | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F594 I621 V782 E783 F796 | F594-A606 HydrophobicContact CD2-CB 4.1Å; F594-A606 HydrophobicContact CE2-CB 4.07Å; F594-A606 HydrophobicContact CG-CB 4.42Å; F594-A606 HydrophobicContact CZ-CB 4.36Å; A606-I621 HydrophobicContact CB-CD1 3.63Å; A606-V782 HydrophobicContact CB-CG2 4.28Å; A606-V782 WeakPolarHBondContact O-CA 3.41Å; A606-E783 PolarHBondContact O-N 3.34Å; A606-F796 CarbonylContact C-O 3.46Å; A606-F796 VanDerWaalsContact CA-O 3.28Å; A606-F796 WeakPolarHBondContact CA-O 3.5Å |
| 607 | Q | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 135 | -177.6 | -63.9 | -173.5 | -13.2 | 0 | 0 | 113.2 | V605 E783 V795 F796 A797 S798 L812 S815 | V605-Q607 HydrophobicContact CG1-CG 3.95Å; Q607-E783 VanDerWaalsContact CA-O 3.23Å; Q607-E783 WeakPolarHBondContact CA-O 3.3Å; Q607-E783 HydrophobicContact CG-CB 4.37Å; Q607-V795 HydrophobicContact CG-CG1 4.41Å; Q607-F796 PolarHBondContact N-O 2.78Å; Q607-A797 VanDerWaalsContact O-CA 3.24Å; Q607-A797 WeakPolarHBondContact O-CA 3.38Å; Q607-S798 PolarHBondContact O-N 2.85Å; Q607-L812 HydrophobicContact CB-CD2 4.29Å; Q607-S815 VanDerWaalsContact NE2-CB 3.33Å; Q607-S815 PolarHBondContact NE2-OG 2.96Å |
| 608 | V | 92.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.5 | 173.9 | -59.9 | 0 | 0 | 0 | 0 | 112 | E613 Q614 L617 V782 E783 P785 S798 | V608-E613 HydrophobicContact CB-CB 4.45Å; V608-E613 HydrophobicContact CG2-CB 4.13Å; V608-Q614 VanDerWaalsContact CG2-CA 3.44Å; V608-Q614 HydrophobicContact CG2-CB 3.88Å; V608-L617 HydrophobicContact CG1-CB 4.38Å; V608-L617 HydrophobicContact CG1-CD2 3.29Å; V608-L617 HydrophobicContact CG1-CG 4.42Å; V608-V782 HydrophobicContact CG2-CG1 3.73Å; V608-E783 PolarHBondContact N-O 3.37Å; V608-E783 VanDerWaalsContact N-O 3.09Å; V608-P785 WeakPolarHBondContact O-CD 3.14Å; V608-S798 WeakPolarHBondContact CA-O 3.43Å |
| 609 | S | 82.9 | Confident | 88.2 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -83.5 | 127.5 | 172.7 | 57 | 0 | 0 | 0 | 0 | 111 | T800 | S609-T800 WeakPolarHBondContact OG-CG2 3.35Å; S609-T800 PolarHBondContact OG-N 3.14Å; S609-T800 PolarHBondContact OG-OG1 3.34Å |
| 610 | G | 77.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 102.1 | 144 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q614 | G610-Q614 VanDerWaalsContact O-CB 3.3Å; G610-Q614 WeakPolarHBondContact O-CB 3.31Å; G610-Q614 PolarHBondContact O-N 3.32Å; G610-Q614 VanDerWaalsContact O-N 3.08Å |
| 611 | V | 78.5 | Confident | 88.5 | Confident | 114 Ų | 114 | 43.1 Ų | 43.1 | 69% | 0.691 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -73.3 | -35.9 | -177.5 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | Q614 A615 | V611-Q614 WeakPolarHBondContact O-CB 3.42Å; V611-Q614 PolarHBondContact O-N 3.1Å; V611-A615 PolarHBondContact O-N 2.93Å; V611-A615 VanDerWaalsContact O-N 3.07Å |
| 612 | R | 80.8 | Confident | 88.8 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 177.2 | 179.7 | -178.7 | 174.1 | -173 | -4.7 | 110.5 | Q614 A615 I616 E1395 | R612-Q614 VanDerWaalsContact C-N 3.26Å; R612-Q614 PolarHBondContact O-N 3.43Å; R612-A615 PolarHBondContact O-N 3.33Å; R612-A615 VanDerWaalsContact O-N 3.16Å; R612-I616 HydrophobicContact CG-CD1 4.03Å; R612-I616 WeakPolarHBondContact O-CG1 3.44Å; R612-I616 PolarHBondContact O-N 3.44Å; R612-E1395 IonicContact CZ-OE2 3.41Å; R612-E1395 IonicContact NH2-OE2 3.55Å; R612-E1395 PolarHBondContact NH2-OE2 3.5Å |
| 613 | E | 85.1 | Confident | 89.1 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 177.8 | -68.7 | 67.4 | -150.6 | 0 | 0 | 110.9 | V608 I616 L617 | V608-E613 HydrophobicContact CB-CB 4.45Å; V608-E613 HydrophobicContact CG2-CB 4.13Å; E613-I616 PolarHBondContact O-N 2.99Å; E613-L617 WeakPolarHBondContact O-CB 3.48Å; E613-L617 PolarHBondContact O-N 3.03Å |
| 614 | Q | 88.7 | Confident | 89.4 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.7 | -173.7 | 179 | 8.1 | 0 | 0 | 112 | V608 G610 V611 R612 T618 V782 | V608-Q614 VanDerWaalsContact CG2-CA 3.44Å; V608-Q614 HydrophobicContact CG2-CB 3.88Å; G610-Q614 VanDerWaalsContact O-CB 3.3Å; G610-Q614 WeakPolarHBondContact O-CB 3.31Å; G610-Q614 PolarHBondContact O-N 3.32Å; G610-Q614 VanDerWaalsContact O-N 3.08Å; V611-Q614 WeakPolarHBondContact O-CB 3.42Å; V611-Q614 PolarHBondContact O-N 3.1Å; R612-Q614 VanDerWaalsContact C-N 3.26Å; R612-Q614 PolarHBondContact O-N 3.43Å; Q614-T618 WeakPolarHBondContact O-CB 3.4Å; Q614-T618 PolarHBondContact O-N 3.06Å; Q614-T618 PolarHBondContact O-OG1 3.47Å; Q614-V782 HydrophobicContact CB-CG1 4.5Å; Q614-V782 HydrophobicContact CG-CB 3.96Å; Q614-V782 HydrophobicContact CG-CG1 3.84Å; Q614-V782 PolarHBondContact NE2-O 3.35Å |
| 615 | A | 85.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 51% | 0.512 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V611 R612 T618 Q619 | V611-A615 PolarHBondContact O-N 2.93Å; V611-A615 VanDerWaalsContact O-N 3.07Å; R612-A615 PolarHBondContact O-N 3.33Å; R612-A615 VanDerWaalsContact O-N 3.16Å; A615-T618 WeakPolarHBondContact O-CB 3.35Å; A615-T618 PolarHBondContact O-N 3.37Å; A615-Q619 PolarHBondContact O-N 3.41Å; A615-Q619 VanDerWaalsContact O-N 3.07Å |
| 616 | I | 87.7 | Confident | 89.6 | Confident | 29 Ų | 29 | 38 Ų | 38 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 179.1 | -62.5 | 168.8 | 0 | 0 | 0 | 110.7 | Y587 R612 E613 T618 Q619 A620 | Y587-I616 HydrophobicContact CD2-CG2 3.89Å; Y587-I616 HydrophobicContact CE2-CB 4.43Å; Y587-I616 HydrophobicContact CE2-CG2 4.07Å; R612-I616 HydrophobicContact CG-CD1 4.03Å; R612-I616 WeakPolarHBondContact O-CG1 3.44Å; R612-I616 PolarHBondContact O-N 3.44Å; E613-I616 PolarHBondContact O-N 2.99Å; I616-T618 VanDerWaalsContact C-N 3.32Å; I616-T618 PolarHBondContact O-N 3.31Å; I616-Q619 WeakPolarHBondContact O-CB 3.45Å; I616-Q619 PolarHBondContact O-N 2.95Å; I616-A620 PolarHBondContact O-N 2.81Å; I616-A620 VanDerWaalsContact O-N 3.09Å |
| 617 | L | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -36.9 | 179.3 | -176.8 | 64.4 | 0 | 0 | 0 | 111.7 | Y587 L590 V608 E613 Q619 A620 I621 V782 | Y587-L617 HydrophobicContact CD1-CD1 4.11Å; Y587-L617 HydrophobicContact CD2-CB 4.4Å; Y587-L617 HydrophobicContact CD2-CD1 4.36Å; Y587-L617 HydrophobicContact CE2-CB 4.48Å; Y587-L617 HydrophobicContact CG-CD1 3.87Å; L590-L617 HydrophobicContact CD1-CD1 4.43Å; L590-L617 HydrophobicContact CD1-CD2 4.16Å; L590-L617 HydrophobicContact CD2-CD1 4.07Å; L590-L617 HydrophobicContact CD2-CD2 4.05Å; V608-L617 HydrophobicContact CG1-CB 4.38Å; V608-L617 HydrophobicContact CG1-CD2 3.29Å; V608-L617 HydrophobicContact CG1-CG 4.42Å; E613-L617 WeakPolarHBondContact O-CB 3.48Å; E613-L617 PolarHBondContact O-N 3.03Å; L617-Q619 VanDerWaalsContact C-N 3.26Å; L617-Q619 PolarHBondContact O-N 3Å; L617-A620 PolarHBondContact O-N 3.37Å; L617-I621 HydrophobicContact CD1-CD1 4.24Å; L617-I621 HydrophobicContact CD1-CG1 4.26Å; L617-I621 HydrophobicContact CD2-CD1 4.14Å; L617-I621 HydrophobicContact CG-CD1 3.82Å; L617-I621 HydrophobicContact CG-CG1 4.27Å; L617-I621 WeakPolarHBondContact O-CB 3.49Å; L617-I621 WeakPolarHBondContact O-CG1 3.43Å; L617-I621 PolarHBondContact O-N 2.78Å; L617-V782 HydrophobicContact CB-CG2 4.44Å; L617-V782 HydrophobicContact CD2-CG1 4.08Å; L617-V782 HydrophobicContact CD2-CG2 4.17Å; L617-V782 HydrophobicContact CG-CG2 4.15Å |
| 618 | T | 92.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.3 | -46.8 | 172.7 | -70.3 | 0 | 0 | 0 | 0 | 110.9 | Q614 A615 I616 I621 R622 N779 | Q614-T618 WeakPolarHBondContact O-CB 3.4Å; Q614-T618 PolarHBondContact O-N 3.06Å; Q614-T618 PolarHBondContact O-OG1 3.47Å; A615-T618 WeakPolarHBondContact O-CB 3.35Å; A615-T618 PolarHBondContact O-N 3.37Å; I616-T618 VanDerWaalsContact C-N 3.32Å; I616-T618 PolarHBondContact O-N 3.31Å; T618-I621 PolarHBondContact O-N 2.88Å; T618-R622 HydrophobicContact CG2-CG 4.49Å; T618-R622 WeakPolarHBondContact O-CB 3.43Å; T618-R622 VanDerWaalsContact O-CG 3.3Å; T618-R622 WeakPolarHBondContact O-CG 3.45Å; T618-R622 PolarHBondContact O-N 2.74Å; T618-N779 WeakPolarHBondContact CB-ND2 3.49Å; T618-N779 WeakPolarHBondContact CG2-ND2 3.42Å; T618-N779 PolarHBondContact OG1-ND2 2.72Å |
| 619 | Q | 90.9 | Very high | 89.1 | Confident | 124 Ų | 124 | 48.2 Ų | 48.2 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 179.7 | -169.2 | 178 | 11.1 | 0 | 0 | 111.2 | A615 I616 L617 R622 S623 | A615-Q619 PolarHBondContact O-N 3.41Å; A615-Q619 VanDerWaalsContact O-N 3.07Å; I616-Q619 WeakPolarHBondContact O-CB 3.45Å; I616-Q619 PolarHBondContact O-N 2.95Å; L617-Q619 VanDerWaalsContact C-N 3.26Å; L617-Q619 PolarHBondContact O-N 3Å; Q619-R622 PolarHBondContact O-N 3.01Å; Q619-S623 PolarHBondContact O-N 2.85Å; Q619-S623 PolarHBondContact O-OG 3.09Å |
| 620 | A | 93 | Very high | 89.5 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A591 I616 L617 R622 S623 E624 | A591-A620 HydrophobicContact CB-CB 4.21Å; I616-A620 PolarHBondContact O-N 2.81Å; I616-A620 VanDerWaalsContact O-N 3.09Å; L617-A620 PolarHBondContact O-N 3.37Å; A620-R622 PolarHBondContact O-N 2.79Å; A620-S623 PolarHBondContact O-N 2.85Å; A620-E624 WeakPolarHBondContact O-CB 3.31Å; A620-E624 PolarHBondContact O-N 3.37Å |
| 621 | I | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.1 | -74.7 | 171.9 | 0 | 0 | 0 | 111.1 | L590 A591 F594 A606 L617 T618 E624 L625 W781 V782 | L590-I621 HydrophobicContact CD2-CD1 4.45Å; A591-I621 HydrophobicContact CB-CG1 3.88Å; F594-I621 HydrophobicContact CD1-CD1 3.91Å; F594-I621 HydrophobicContact CD1-CG1 4.07Å; F594-I621 HydrophobicContact CD1-CG2 3.69Å; F594-I621 HydrophobicContact CE1-CD1 4.23Å; F594-I621 HydrophobicContact CE1-CG2 3.67Å; F594-I621 HydrophobicContact CG-CD1 4.44Å; A606-I621 HydrophobicContact CB-CD1 3.63Å; L617-I621 HydrophobicContact CD1-CD1 4.24Å; L617-I621 HydrophobicContact CD1-CG1 4.26Å; L617-I621 HydrophobicContact CD2-CD1 4.14Å; L617-I621 HydrophobicContact CG-CD1 3.82Å; L617-I621 HydrophobicContact CG-CG1 4.27Å; L617-I621 WeakPolarHBondContact O-CB 3.49Å; L617-I621 WeakPolarHBondContact O-CG1 3.43Å; L617-I621 PolarHBondContact O-N 2.78Å; T618-I621 PolarHBondContact O-N 2.88Å; I621-E624 PolarHBondContact O-N 2.9Å; I621-L625 HydrophobicContact CG2-CD1 3.61Å; I621-L625 HydrophobicContact CG2-CG 4.16Å; I621-L625 WeakPolarHBondContact O-CB 3.33Å; I621-L625 VanDerWaalsContact O-CG 3.27Å; I621-L625 WeakPolarHBondContact O-CG 3.18Å; I621-L625 PolarHBondContact O-N 3.48Å; I621-W781 HydrophobicContact CG2-CB 4.39Å; I621-W781 HydrophobicContact CG2-CG 4.45Å; I621-V782 HydrophobicContact CD1-CG2 3.7Å |
| 622 | R | 94 | Very high | 90.6 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 179.4 | -76.9 | 178.9 | 59.9 | 150.3 | 1.9 | 112.2 | T618 Q619 A620 E624 L625 K626 L631 E635 P718 E723 | T618-R622 HydrophobicContact CG2-CG 4.49Å; T618-R622 WeakPolarHBondContact O-CB 3.43Å; T618-R622 VanDerWaalsContact O-CG 3.3Å; T618-R622 WeakPolarHBondContact O-CG 3.45Å; T618-R622 PolarHBondContact O-N 2.74Å; Q619-R622 PolarHBondContact O-N 3.01Å; A620-R622 PolarHBondContact O-N 2.79Å; R622-E624 VanDerWaalsContact C-N 3.28Å; R622-E624 PolarHBondContact O-N 3.36Å; R622-L625 PolarHBondContact O-N 3.25Å; R622-K626 WeakPolarHBondContact O-CG 3.32Å; R622-K626 PolarHBondContact O-N 3.33Å; R622-L631 HydrophobicContact CB-CD2 4.16Å; R622-L631 HydrophobicContact CG-CD2 4.12Å; R622-E635 IonicContact CZ-OE1 3.94Å; R622-E635 IonicContact NE-OE1 3.69Å; R622-E635 IonicContact NH2-OE1 4Å; R622-E635 PolarHBondContact NH2-OE1 2.85Å; R622-P718 PolarHBondContact NH1-O 3.23Å; R622-P718 PolarHBondContact NH2-O 3.18Å; R622-E723 IonicContact CZ-OE1 3.1Å; R622-E723 IonicContact CZ-OE2 3.35Å; R622-E723 IonicContact NE-OE1 3.06Å; R622-E723 IonicContact NE-OE2 2.86Å; R622-E723 IonicContact NH1-OE1 3.4Å; R622-E723 IonicContact NH1-OE2 2.69Å; R622-E723 IonicContact NH2-OE2 3.67Å |
| 623 | S | 93.4 | Very high | 91 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 175.4 | -69.4 | 0 | 0 | 0 | 0 | 111.1 | Q619 A620 K626 T627 | Q619-S623 PolarHBondContact O-N 2.85Å; Q619-S623 PolarHBondContact O-OG 3.09Å; A620-S623 PolarHBondContact O-N 2.85Å; S623-K626 PolarHBondContact O-N 3.47Å; S623-T627 PolarHBondContact O-N 2.8Å; S623-T627 VanDerWaalsContact O-N 3.1Å; S623-T627 PolarHBondContact O-OG1 2.86Å |
| 624 | E | 94.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 179.8 | -172.2 | 55.7 | -150.5 | 0 | 0 | 113 | A591 A595 A620 I621 R622 K626 T627 Q628 | A591-E624 HydrophobicContact CB-CB 4.07Å; A591-E624 HydrophobicContact CB-CG 4.48Å; A595-E624 HydrophobicContact CB-CB 4.4Å; A595-E624 HydrophobicContact CB-CG 3.74Å; A620-E624 WeakPolarHBondContact O-CB 3.31Å; A620-E624 PolarHBondContact O-N 3.37Å; I621-E624 PolarHBondContact O-N 2.9Å; R622-E624 VanDerWaalsContact C-N 3.28Å; R622-E624 PolarHBondContact O-N 3.36Å; E624-K626 VanDerWaalsContact C-N 3.27Å; E624-K626 PolarHBondContact O-N 3.22Å; E624-T627 WeakPolarHBondContact O-CB 3.47Å; E624-T627 PolarHBondContact O-N 2.76Å; E624-T627 VanDerWaalsContact O-N 3.15Å; E624-Q628 WeakPolarHBondContact O-CG 3.31Å; E624-Q628 PolarHBondContact O-N 3.5Å; E624-Q628 PolarHBondContact OE1-NE2 2.89Å |
| 625 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 175.9 | -73.5 | 170.8 | 0 | 0 | 0 | 112.5 | A595 V598 I621 R622 G629 V630 L631 W781 | A595-L625 HydrophobicContact CB-CD2 3.74Å; A595-L625 HydrophobicContact CB-CG 4.21Å; V598-L625 HydrophobicContact CB-CD2 4.29Å; V598-L625 HydrophobicContact CG1-CD2 4.27Å; I621-L625 HydrophobicContact CG2-CD1 3.61Å; I621-L625 HydrophobicContact CG2-CG 4.16Å; I621-L625 WeakPolarHBondContact O-CB 3.33Å; I621-L625 VanDerWaalsContact O-CG 3.27Å; I621-L625 WeakPolarHBondContact O-CG 3.18Å; I621-L625 PolarHBondContact O-N 3.48Å; R622-L625 PolarHBondContact O-N 3.25Å; L625-G629 PolarHBondContact O-N 3.38Å; L625-G629 VanDerWaalsContact O-N 3.16Å; L625-V630 HydrophobicContact CD2-CB 3.93Å; L625-V630 HydrophobicContact CD2-CG1 4.02Å; L625-V630 HydrophobicContact CD2-CG2 4.36Å; L625-V630 PolarHBondContact O-N 2.96Å; L625-L631 HydrophobicContact CB-CB 3.81Å; L625-L631 PolarHBondContact O-N 3.22Å; L625-L631 VanDerWaalsContact O-N 3.11Å; L625-W781 HydrophobicContact CD1-CD2 4.02Å; L625-W781 HydrophobicContact CD1-CE3 3.96Å; L625-W781 HydrophobicContact CD1-CH2 3.73Å; L625-W781 HydrophobicContact CD1-CZ2 3.79Å; L625-W781 HydrophobicContact CD1-CZ3 3.81Å |
| 626 | K | 93.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 171.3 | -72.2 | -177.2 | 180 | -166.9 | 0 | 111.6 | R622 S623 E624 Q628 G629 L631 G632 H633 E635 | R622-K626 WeakPolarHBondContact O-CG 3.32Å; R622-K626 PolarHBondContact O-N 3.33Å; S623-K626 PolarHBondContact O-N 3.47Å; E624-K626 VanDerWaalsContact C-N 3.27Å; E624-K626 PolarHBondContact O-N 3.22Å; K626-Q628 PolarHBondContact O-N 2.81Å; K626-G629 PolarHBondContact O-N 3.16Å; K626-L631 HydrophobicContact CG-CB 4.01Å; K626-L631 HydrophobicContact CG-CD2 3.97Å; K626-L631 HydrophobicContact CG-CG 4.28Å; K626-G632 WeakPolarHBondContact CE-O 3.06Å; K626-H633 PolarHBondContact NZ-O 3.21Å; K626-H633 PolarHBondContact O-CE1 2.93Å; K626-E635 VanDerWaalsContact CE-OE1 3.25Å; K626-E635 WeakPolarHBondContact CE-OE1 3.46Å; K626-E635 IonicContact NZ-OE1 3.82Å; K626-E635 PolarHBondContact NZ-OE1 3.12Å; K626-E635 IonicContact NZ-OE2 2.82Å |
| 627 | T | 92.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 67% | 0.669 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -56.3 | -39.3 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111.4 | S623 E624 G629 | S623-T627 PolarHBondContact O-N 2.8Å; S623-T627 VanDerWaalsContact O-N 3.1Å; S623-T627 PolarHBondContact O-OG1 2.86Å; E624-T627 WeakPolarHBondContact O-CB 3.47Å; E624-T627 PolarHBondContact O-N 2.76Å; E624-T627 VanDerWaalsContact O-N 3.15Å; T627-G629 VanDerWaalsContact C-N 3.33Å |
| 628 | Q | 90.6 | Very high | 91.8 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.7 | 178.6 | -64.1 | -163.4 | 20.3 | 0 | 0 | 115 | K599 E624 K626 | K599-Q628 HydrophobicContact CD-CB 4.39Å; K599-Q628 PolarHBondContact NZ-O 2.79Å; E624-Q628 WeakPolarHBondContact O-CG 3.31Å; E624-Q628 PolarHBondContact O-N 3.5Å; E624-Q628 PolarHBondContact OE1-NE2 2.89Å; K626-Q628 PolarHBondContact O-N 2.81Å |
| 629 | G | 88.7 | Confident | 91.8 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 60% | 0.598 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 14.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L625 K626 T627 | L625-G629 PolarHBondContact O-N 3.38Å; L625-G629 VanDerWaalsContact O-N 3.16Å; K626-G629 PolarHBondContact O-N 3.16Å; T627-G629 VanDerWaalsContact C-N 3.33Å |
| 630 | V | 89.5 | Confident | 91.9 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.5 | -37 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | V598 K599 L625 | V598-V630 HydrophobicContact CG1-CG1 4.04Å; K599-V630 HydrophobicContact CB-CG2 3.82Å; K599-V630 HydrophobicContact CD-CG2 4.29Å; K599-V630 HydrophobicContact CG-CG2 4.04Å; L625-V630 HydrophobicContact CD2-CB 3.93Å; L625-V630 HydrophobicContact CD2-CG1 4.02Å; L625-V630 HydrophobicContact CD2-CG2 4.36Å; L625-V630 PolarHBondContact O-N 2.96Å |
| 631 | L | 91.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -101.7 | 140.4 | 174.5 | -164 | 74.6 | 0 | 0 | 0 | 110 | R622 L625 K626 A720 D721 E723 W781 | R622-L631 HydrophobicContact CB-CD2 4.16Å; R622-L631 HydrophobicContact CG-CD2 4.12Å; L625-L631 HydrophobicContact CB-CB 3.81Å; L625-L631 PolarHBondContact O-N 3.22Å; L625-L631 VanDerWaalsContact O-N 3.11Å; K626-L631 HydrophobicContact CG-CB 4.01Å; K626-L631 HydrophobicContact CG-CD2 3.97Å; K626-L631 HydrophobicContact CG-CG 4.28Å; L631-A720 HydrophobicContact CD1-CB 4.03Å; L631-A720 HydrophobicContact CD2-CB 4.08Å; L631-A720 HydrophobicContact CG-CB 3.77Å; L631-D721 VanDerWaalsContact CD1-O 3.3Å; L631-D721 WeakPolarHBondContact CD1-O 3.46Å; L631-E723 HydrophobicContact CD1-CB 4.3Å; L631-W781 HydrophobicContact CD1-CZ2 4.21Å |
| 632 | G | 89.1 | Confident | 91.6 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | trans | -59.4 | 146.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K626 D721 | K626-G632 WeakPolarHBondContact CE-O 3.06Å; G632-D721 PolarHBondContact N-O 3.01Å | ||
| 633 | H | 88.2 | Confident | 91.4 | Very high | 137 Ų | 137 | 44.8 Ų | 44.8 | 63% | 0.634 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -71 | -44.5 | 176 | -72.1 | 59.8 | 0 | 0 | 0 | 113 | K626 | K626-H633 PolarHBondContact NZ-O 3.21Å; K626-H633 PolarHBondContact O-CE1 2.93Å |
| 634 | P | 88.8 | Confident | 91.1 | Very high | 86 Ų | 86 | 43.2 Ų | 43.2 | 56% | 0.558 | 26% | 0.257 | S | S | * | . | trans | -63.5 | 141.7 | 176.7 | -18.2 | 31.9 | 0 | 0 | 0 | 111.5 | A720 | P634-A720 WeakPolarHBondContact O-CB 3.32Š| ||
| 635 | E | 90.2 | Very high | 90.5 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | trans | -122.1 | 137.7 | 171.7 | -66.5 | -171.1 | 157.4 | 0 | 0 | 110.1 | R622 K626 V719 A720 | R622-E635 IonicContact CZ-OE1 3.94Å; R622-E635 IonicContact NE-OE1 3.69Å; R622-E635 IonicContact NH2-OE1 4Å; R622-E635 PolarHBondContact NH2-OE1 2.85Å; K626-E635 VanDerWaalsContact CE-OE1 3.25Å; K626-E635 WeakPolarHBondContact CE-OE1 3.46Å; K626-E635 IonicContact NZ-OE1 3.82Å; K626-E635 PolarHBondContact NZ-OE1 3.12Å; K626-E635 IonicContact NZ-OE2 2.82Å; E635-V719 WeakPolarHBondContact CA-O 3.36Å; E635-A720 HydrophobicContact CG-CB 4.49Å | ||
| 636 | V | 92.9 | Very high | 89.9 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.4 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | P718 V719 V747 V767 | V636-P718 CarbonylContact O-C 3.48Å; V636-V719 PolarHBondContact N-O 2.79Å; V636-V719 PolarHBondContact O-N 2.92Å; V636-V747 HydrophobicContact CB-CG2 3.98Å; V636-V747 HydrophobicContact CG2-CG1 4.19Å; V636-V747 HydrophobicContact CG2-CG2 4.08Å; V636-V767 HydrophobicContact CG1-CG1 3.77Å |
| 637 | T | 92.1 | Very high | 89 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.9 | 179.1 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | K716 | T637-K716 HydrophobicContact CG2-CB 4.27Å; T637-K716 HydrophobicContact CG2-CD 4.31Å |
| 638 | M | 92.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 157.4 | 177.6 | -169.9 | 176 | 62 | 0 | 0 | 110.8 | M717 V767 S768 L775 L777 | M638-M717 HydrophobicContact CE-CE 4.23Å; M638-M717 PolarHBondContact N-O 3.36Å; M638-M717 PolarHBondContact O-N 3.17Å; M638-V767 HydrophobicContact CB-CG1 3.96Å; M638-V767 HydrophobicContact CG-CG1 3.91Å; M638-V767 HydrophobicContact SD-CB 4.28Å; M638-V767 HydrophobicContact SD-CG1 4.12Å; M638-V767 HydrophobicContact SD-CG2 4.2Å; M638-S768 VanDerWaalsContact CG-O 3.3Å; M638-S768 WeakPolarHBondContact CG-O 3.27Å; M638-L775 HydrophobicContact CE-CB 4.49Å; M638-L775 HydrophobicContact CE-CD1 4.05Å; M638-L775 HydrophobicContact SD-CD1 4.02Å; M638-L777 HydrophobicContact CE-CD1 4.39Å |
| 639 | T | 93.3 | Very high | 87.4 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 166.7 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | P714 E715 K716 S768 D769 A774 | T639-P714 HydrophobicContact CG2-CB 3.98Å; T639-E715 WeakPolarHBondContact CA-O 3.44Å; T639-K716 PolarHBondContact OG1-NZ 2.82Å; T639-S768 PolarHBondContact N-O 3.07Å; T639-D769 WeakPolarHBondContact OG1-CA 3.41Å; T639-D769 PolarHBondContact OG1-O 3.35Å; T639-A774 HydrophobicContact CG2-CB 4.35Å; T639-A774 VanDerWaalsContact O-CB 3.25Å; T639-A774 WeakPolarHBondContact O-CB 3.45Å |
| 640 | A | 92.7 | Very high | 87 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 158 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P714 E715 M717 L775 L777 | A640-P714 WeakPolarHBondContact O-CA 3.19Å; A640-E715 PolarHBondContact N-O 2.96Å; A640-E715 PolarHBondContact O-N 3.44Å; A640-M717 HydrophobicContact CB-CB 4.28Å; A640-M717 HydrophobicContact CB-SD 4.31Å; A640-L775 CarbonylContact C-O 3.53Å; A640-L775 WeakPolarHBondContact CA-O 3.49Å; A640-L777 WeakPolarHBondContact CB-O 3.42Å |
| 641 | L | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.9 | -178.4 | -63.6 | -176.8 | 0 | 0 | 0 | 111.4 | V662 F712 P714 T728 A774 L775 K776 | L641-V662 HydrophobicContact CD1-CG1 4.19Å; L641-V662 HydrophobicContact CD2-CB 4.11Å; L641-V662 HydrophobicContact CD2-CG1 4.4Å; L641-V662 HydrophobicContact CD2-CG2 3.82Å; L641-F712 HydrophobicContact CB-CB 4.05Å; L641-F712 HydrophobicContact CB-CD1 4.11Å; L641-F712 HydrophobicContact CB-CG 4.21Å; L641-F712 HydrophobicContact CD1-CB 4.42Å; L641-F712 HydrophobicContact CD1-CG 4.39Å; L641-F712 HydrophobicContact CD2-CB 4.26Å; L641-F712 HydrophobicContact CG-CB 4.47Å; L641-P714 HydrophobicContact CD2-CB 4.13Å; L641-T728 PolarHBondContact O-OG1 3.43Å; L641-A774 HydrophobicContact CD1-CB 4.26Å; L641-A774 HydrophobicContact CD2-CB 3.96Å; L641-A774 HydrophobicContact CG-CB 3.71Å; L641-L775 PolarHBondContact N-O 2.89Å; L641-K776 HydrophobicContact CB-CG 4.39Å |
| 642 | S | 89.1 | Confident | 86.4 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.1 | 172.8 | -66.2 | 0 | 0 | 0 | 0 | 110 | F712 R713 | S642-F712 CarbonylContact O-C 3.5Å; S642-F712 VanDerWaalsContact O-CA 3.3Å; S642-F712 WeakPolarHBondContact O-CA 3.43Å; S642-R713 PolarHBondContact N-O 3.36Å; S642-R713 PolarHBondContact O-N 2.69Å |
| 643 | P | 89.6 | Confident | 86 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.4 | -178.7 | 24.5 | -31 | 0 | 0 | 0 | 112.5 | F712 | P643-F712 HydrophobicContact CB-CD1 3.96Å; P643-F712 HydrophobicContact CB-CE1 3.89Å |
| 644 | V | 87.9 | Confident | 85.6 | Confident | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.8 | 170.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L646 M656 L711 R713 | V644-L646 PolarHBondContact O-N 3.33Å; V644-M656 HydrophobicContact CG1-CE 3.86Å; V644-L711 HydrophobicContact CB-CB 4.29Å; V644-L711 HydrophobicContact CB-CD2 3.94Å; V644-L711 HydrophobicContact CB-CG 4.01Å; V644-L711 HydrophobicContact CG1-CD2 3.93Å; V644-L711 HydrophobicContact CG2-CD2 4.43Å; V644-L711 HydrophobicContact CG2-CG 4.31Å; V644-L711 PolarHBondContact N-O 3.21Å; V644-R713 HydrophobicContact CG2-CB 4.29Å |
| 645 | W | 81.1 | Confident | 85.2 | Confident | 184 Ų | 184 | 43.3 Ų | 43.3 | 70% | 0.697 | 22% | 0.215 | S | C | * | . | trans | -73 | 114.7 | -176 | -169.6 | -97.8 | 0 | 0 | 0 | 112.1 | ||||
| 646 | L | 81.8 | Confident | 84.8 | Confident | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | trans | -111.1 | 110.9 | 174.9 | -65.2 | 179.3 | 0 | 0 | 0 | 110.7 | V644 R651 M656 L711 | V644-L646 PolarHBondContact O-N 3.33Å; L646-R651 PolarHBondContact O-NH2 2.89Å; L646-M656 HydrophobicContact CD2-CB 4.05Å; L646-M656 HydrophobicContact CD2-CE 3.98Å; L646-M656 HydrophobicContact CD2-CG 4.17Å; L646-L711 HydrophobicContact CD1-CB 3.58Å; L646-L711 HydrophobicContact CD1-CD2 4.16Å; L646-L711 HydrophobicContact CD2-CD2 4.13Å; L646-L711 HydrophobicContact CG-CB 4.16Å; L646-L711 HydrophobicContact CG-CD2 4.34Å | ||
| 647 | D | 75.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | trans | -83 | -179.6 | 168.7 | 64 | 47.8 | 0 | 0 | 0 | 111.2 | R337 R649 S650 R651 | R337-D647 IonicContact CZ-OD2 2.68Å; R337-D647 VanDerWaalsContact CZ-OD2 3.29Å; R337-D647 IonicContact NE-OD2 3.55Å; R337-D647 PolarHBondContact NE-OD2 2.88Å; R337-D647 VanDerWaalsContact NE-OD2 3.08Å; R337-D647 IonicContact NH2-OD2 2.66Å; R337-D647 PolarHBondContact NH2-OD2 3.45Å; D647-R649 PolarHBondContact O-N 2.82Å; D647-R649 WeakPolarHBondContact OD1-CA 3.38Å; D647-R649 PolarHBondContact OD1-N 3.41Å; D647-S650 PolarHBondContact N-OG 3.47Å; D647-S650 VanDerWaalsContact N-OG 3.08Å; D647-S650 WeakPolarHBondContact OD1-CB 3.34Å; D647-S650 PolarHBondContact OD1-N 2.87Å; D647-S650 PolarHBondContact OD1-OG 3.33Å; D647-R651 WeakPolarHBondContact O-CB 3.4Å; D647-R651 PolarHBondContact O-N 3.45Å | ||
| 648 | S | 74.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.6 | -178 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | Y652 | S648-Y652 WeakPolarHBondContact O-CD2 3.3Å; S648-Y652 WeakPolarHBondContact O-CE2 2.75Å |
| 649 | R | 75.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 30% | 0.302 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -42.4 | -178 | -67.4 | 176.9 | -178.9 | 75.2 | -3.5 | 111.8 | G333 E336 D647 R651 Y652 | G333-R649 VanDerWaalsContact CA-CD 3.5Å; E336-R649 IonicContact OE1-CZ 3.31Å; E336-R649 VanDerWaalsContact OE1-CZ 3.27Å; E336-R649 IonicContact OE1-NH1 2.99Å; E336-R649 PolarHBondContact OE1-NH1 2.57Å; E336-R649 IonicContact OE1-NH2 2.77Å; E336-R649 IonicContact OE2-CZ 3.14Å; E336-R649 IonicContact OE2-NH1 2.81Å; E336-R649 PolarHBondContact OE2-NH1 3.44Å; D647-R649 PolarHBondContact O-N 2.82Å; D647-R649 WeakPolarHBondContact OD1-CA 3.38Å; D647-R649 PolarHBondContact OD1-N 3.41Å; R649-R651 PolarHBondContact O-N 3.45Å; R649-Y652 PolarHBondContact O-N 2.88Å |
| 650 | S | 78.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68 | -22.3 | -179.5 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | R337 D647 Y652 L653 M656 | R337-S650 PolarHBondContact NH2-OG 3.49Å; D647-S650 PolarHBondContact N-OG 3.47Å; D647-S650 VanDerWaalsContact N-OG 3.08Å; D647-S650 WeakPolarHBondContact OD1-CB 3.34Å; D647-S650 PolarHBondContact OD1-N 2.87Å; D647-S650 PolarHBondContact OD1-OG 3.33Å; S650-Y652 PolarHBondContact O-N 2.88Å; S650-L653 WeakPolarHBondContact O-CB 3.47Å; S650-L653 PolarHBondContact O-N 2.85Å; S650-M656 VanDerWaalsContact O-CG 3.31Å; S650-M656 WeakPolarHBondContact O-CG 3.17Å |
| 651 | R | 85.8 | Confident | 84.1 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -59 | -28.8 | 176.8 | -173.7 | 176 | -57.8 | -89.9 | -13.2 | 113.8 | L646 D647 R649 Y657 L705 D706 W709 | L646-R651 PolarHBondContact O-NH2 2.89Å; D647-R651 WeakPolarHBondContact O-CB 3.4Å; D647-R651 PolarHBondContact O-N 3.45Å; R649-R651 PolarHBondContact O-N 3.45Å; R651-Y657 PolarHBondContact O-OH 2.91Å; R651-L705 HydrophobicContact CG-CB 4.16Å; R651-D706 VanDerWaalsContact CD-O 3.3Å; R651-D706 WeakPolarHBondContact CD-O 3.34Å; R651-D706 PolarHBondContact NH1-O 3.19Å; R651-W709 PolarHBondContact NH1-O 2.89Å |
| 652 | Y | 83.1 | Confident | 84.3 | Confident | 95 Ų | 95 | 45.7 Ų | 45.7 | 37% | 0.373 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -92.9 | 1.3 | -178.3 | -58.1 | -69 | 0 | 0 | 0 | 113.5 | S648 R649 S650 H686 I702 L705 | S648-Y652 WeakPolarHBondContact O-CD2 3.3Å; S648-Y652 WeakPolarHBondContact O-CE2 2.75Å; R649-Y652 PolarHBondContact O-N 2.88Å; S650-Y652 PolarHBondContact O-N 2.88Å; Y652-H686 PolarHBondContact O-NE2 3.04Å; Y652-I702 WeakPolarHBondContact O-CG2 3.38Å; Y652-L705 WeakPolarHBondContact CE1-O 3.41Å; Y652-L705 PolarHBondContact OH-O 3.21Å |
| 653 | L | 80.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | trans | -89.2 | 129.5 | -177.4 | -62.4 | 175.9 | 0 | 0 | 0 | 111 | R349 I353 S650 D655 M656 Y657 | R349-L653 HydrophobicContact CG-CD1 4.29Å; R349-L653 HydrophobicContact CG-CD2 4.22Å; I353-L653 HydrophobicContact CD1-CD2 4.07Å; I353-L653 HydrophobicContact CG1-CD2 3.33Å; S650-L653 WeakPolarHBondContact O-CB 3.47Å; S650-L653 PolarHBondContact O-N 2.85Å; L653-D655 PolarHBondContact O-N 3.38Å; L653-M656 HydrophobicContact CB-CG 4.17Å; L653-M656 PolarHBondContact O-N 3.11Å; L653-Y657 VanDerWaalsContact O-CD2 3.3Å; L653-Y657 WeakPolarHBondContact O-CD2 3.29Å; L653-Y657 WeakPolarHBondContact O-CE2 3.38Å | ||
| 654 | R | 81.6 | Confident | 84.7 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -60.4 | -35.8 | 177.5 | -173.9 | 176.5 | 62.6 | -153.5 | -4.4 | 112.4 | M656 Y657 V681 A683 I702 | R654-M656 PolarHBondContact O-N 3.42Å; R654-M656 VanDerWaalsContact O-N 3.13Å; R654-Y657 PolarHBondContact O-N 3.03Å; R654-Y657 VanDerWaalsContact O-N 3.09Å; R654-V681 HydrophobicContact CG-CG1 3.71Å; R654-A683 PolarHBondContact NH1-O 2.92Å; R654-I702 HydrophobicContact CB-CD1 4.15Å; R654-I702 HydrophobicContact CG-CD1 4.18Å |
| 655 | D | 79 | Confident | 84.9 | Confident | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -67.4 | -17.6 | -172.1 | -52.2 | -31.7 | 0 | 0 | 0 | 113.5 | L653 Y657 R658 | L653-D655 PolarHBondContact O-N 3.38Å; D655-Y657 VanDerWaalsContact C-N 3.26Å; D655-Y657 PolarHBondContact O-N 3.34Å; D655-R658 PolarHBondContact O-NH1 3.32Å; D655-R658 PolarHBondContact O-NH2 3.16Å |
| 656 | M | 83.1 | Confident | 85.3 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 17% | 0.172 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -74.7 | -17.4 | 176.6 | -62.6 | -56.8 | -60.7 | 0 | 0 | 113 | V644 L646 S650 L653 R654 L711 | V644-M656 HydrophobicContact CG1-CE 3.86Å; L646-M656 HydrophobicContact CD2-CB 4.05Å; L646-M656 HydrophobicContact CD2-CE 3.98Å; L646-M656 HydrophobicContact CD2-CG 4.17Å; S650-M656 VanDerWaalsContact O-CG 3.31Å; S650-M656 WeakPolarHBondContact O-CG 3.17Å; L653-M656 HydrophobicContact CB-CG 4.17Å; L653-M656 PolarHBondContact O-N 3.11Å; R654-M656 PolarHBondContact O-N 3.42Å; R654-M656 VanDerWaalsContact O-N 3.13Å; M656-L711 WeakPolarHBondContact O-CD2 3.48Å |
| 657 | Y | 88.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | trans | -104.2 | 138 | -175 | -58.3 | -80.6 | 0 | 0 | 0 | 110.7 | R651 L653 R654 D655 M663 L688 I702 L705 L711 | R651-Y657 PolarHBondContact O-OH 2.91Å; L653-Y657 VanDerWaalsContact O-CD2 3.3Å; L653-Y657 WeakPolarHBondContact O-CD2 3.29Å; L653-Y657 WeakPolarHBondContact O-CE2 3.38Å; R654-Y657 PolarHBondContact O-N 3.03Å; R654-Y657 VanDerWaalsContact O-N 3.09Å; D655-Y657 VanDerWaalsContact C-N 3.26Å; D655-Y657 PolarHBondContact O-N 3.34Å; Y657-M663 HydrophobicContact CD1-CE 4.48Å; Y657-M663 HydrophobicContact CD1-SD 3.92Å; Y657-M663 HydrophobicContact CE1-CE 3.75Å; Y657-M663 HydrophobicContact CE1-SD 3.79Å; Y657-L688 HydrophobicContact CD1-CD1 3.56Å; Y657-L688 HydrophobicContact CD1-CD2 4.44Å; Y657-L688 HydrophobicContact CD2-CD1 4.19Å; Y657-L688 HydrophobicContact CD2-CD2 4.41Å; Y657-L688 HydrophobicContact CE1-CD1 3.85Å; Y657-L688 HydrophobicContact CE2-CD1 4.44Å; Y657-L688 HydrophobicContact CG-CD1 3.76Å; Y657-L688 HydrophobicContact CG-CD2 3.93Å; Y657-L688 HydrophobicContact CG-CG 4.48Å; Y657-I702 HydrophobicContact CD2-CD1 4.46Å; Y657-I702 HydrophobicContact CE2-CG2 4.21Å; Y657-L705 HydrophobicContact CE1-CD1 4.22Å; Y657-L705 HydrophobicContact CE2-CD1 4.2Å; Y657-L705 WeakPolarHBondContact OH-CD1 3.4Å; Y657-L711 HydrophobicContact CD1-CD1 4.02Å; Y657-L711 HydrophobicContact CD1-CD2 4.18Å; Y657-L711 HydrophobicContact CE1-CD1 4.15Å; Y657-L711 HydrophobicContact CE1-CD2 4.11Å | ||
| 658 | R | 86.9 | Confident | 86 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | trans | -133.4 | 147.1 | 174.6 | -65.7 | -70 | 179.9 | -92.3 | -0.8 | 110.5 | D655 G660 M661 | D655-R658 PolarHBondContact O-NH1 3.32Å; D655-R658 PolarHBondContact O-NH2 3.16Å; R658-G660 PolarHBondContact O-N 2.92Å; R658-M661 HydrophobicContact CB-CE 3.99Å; R658-M661 HydrophobicContact CB-CG 4.04Å; R658-M661 HydrophobicContact CB-SD 4.05Å; R658-M661 HydrophobicContact CG-CE 3.96Å; R658-M661 HydrophobicContact CG-SD 4.47Å; R658-M661 WeakPolarHBondContact O-CB 3.33Å; R658-M661 PolarHBondContact O-N 3.44Å; R658-M661 VanDerWaalsContact O-N 3.15Å | ||
| 659 | P | 89.9 | Confident | 86.5 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.7 | 166.2 | -24 | 34.9 | 0 | 0 | 0 | 110.6 | T678 V681 | P659-T678 CarbonylContact C-O 3.52Å; P659-V681 HydrophobicContact CG-CG2 4.45Å |
| 660 | G | 90.6 | Very high | 87 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -15.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R658 T678 P714 | R658-G660 PolarHBondContact O-N 2.92Å; G660-T678 PolarHBondContact N-O 2.9Å; G660-P714 WeakPolarHBondContact O-CG 3.34Å |
| 661 | M | 93 | Very high | 87.3 | Confident | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | trans | -67 | 149.5 | 176.6 | -72.5 | -171.5 | 168.3 | 0 | 0 | 112.2 | R658 T678 L711 | R658-M661 HydrophobicContact CB-CE 3.99Å; R658-M661 HydrophobicContact CB-CG 4.04Å; R658-M661 HydrophobicContact CB-SD 4.05Å; R658-M661 HydrophobicContact CG-CE 3.96Å; R658-M661 HydrophobicContact CG-SD 4.47Å; R658-M661 WeakPolarHBondContact O-CB 3.33Å; R658-M661 PolarHBondContact O-N 3.44Å; R658-M661 VanDerWaalsContact O-N 3.15Å; M661-T678 WeakPolarHBondContact O-CB 3.47Å; M661-T678 PolarHBondContact O-N 3.36Å; M661-T678 PolarHBondContact O-OG1 2.93Å; M661-L711 HydrophobicContact CB-CD1 3.95Å; M661-L711 HydrophobicContact SD-CD1 4.01Å; M661-L711 HydrophobicContact SD-CD2 4.1Å; M661-L711 HydrophobicContact SD-CG 4.26Å | ||
| 662 | V | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.7 | -178.4 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | L641 R675 Y676 V677 F712 P714 P771 | L641-V662 HydrophobicContact CD1-CG1 4.19Å; L641-V662 HydrophobicContact CD2-CB 4.11Å; L641-V662 HydrophobicContact CD2-CG1 4.4Å; L641-V662 HydrophobicContact CD2-CG2 3.82Å; V662-R675 HydrophobicContact CG1-CG 3.59Å; V662-Y676 CarbonylContact C-O 3.52Å; V662-Y676 WeakPolarHBondContact CA-O 3.46Å; V662-Y676 WeakPolarHBondContact CG1-O 3.23Å; V662-V677 HydrophobicContact CG2-CG2 4.35Å; V662-F712 HydrophobicContact CB-CB 4.19Å; V662-F712 PolarHBondContact N-O 3.5Å; V662-F712 PolarHBondContact O-N 2.99Å; V662-P714 HydrophobicContact CG2-CB 4.4Å; V662-P714 HydrophobicContact CG2-CG 4.3Å; V662-P771 HydrophobicContact CG2-CB 3.64Å |
| 663 | M | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140 | 175.7 | -69.2 | -175.4 | 67.9 | 0 | 0 | 110.1 | Y657 Y676 L688 L690 L705 W709 S710 L711 | Y657-M663 HydrophobicContact CD1-CE 4.48Å; Y657-M663 HydrophobicContact CD1-SD 3.92Å; Y657-M663 HydrophobicContact CE1-CE 3.75Å; Y657-M663 HydrophobicContact CE1-SD 3.79Å; M663-Y676 PolarHBondContact N-O 3.48Å; M663-Y676 PolarHBondContact O-N 3.31Å; M663-L688 HydrophobicContact CE-CD1 4.32Å; M663-L688 HydrophobicContact SD-CD1 3.82Å; M663-L690 HydrophobicContact SD-CD2 3.81Å; M663-L705 HydrophobicContact CE-CD1 4.23Å; M663-L705 HydrophobicContact CE-CD2 4.03Å; M663-W709 HydrophobicContact CB-CE3 4.08Å; M663-W709 HydrophobicContact CB-CZ3 4.07Å; M663-W709 HydrophobicContact CE-CD2 4.16Å; M663-W709 HydrophobicContact CE-CE3 3.62Å; M663-W709 HydrophobicContact CE-CZ3 4.16Å; M663-S710 VanDerWaalsContact CA-O 3.29Å; M663-S710 WeakPolarHBondContact CA-O 3.37Å; M663-L711 HydrophobicContact CG-CD1 3.59Å; M663-L711 HydrophobicContact SD-CD1 4.33Å |
| 664 | E | 93 | Very high | 87.9 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.9 | 172.8 | -70.7 | -176.1 | 167.4 | 0 | 0 | 110 | H673 D674 R675 W709 S710 F712 K776 | E664-H673 HydrophobicContact CB-CB 4.15Å; E664-H673 HydrophobicContact CG-CB 4.31Å; E664-H673 IonicContact OE2-CG 3.64Å; E664-H673 IonicContact OE2-ND1 3.6Å; E664-D674 WeakPolarHBondContact CA-O 3.31Å; E664-R675 HydrophobicContact CG-CB 4.1Å; E664-R675 HydrophobicContact CG-CG 4Å; E664-R675 IonicContact OE1-CZ 2.98Å; E664-R675 IonicContact OE1-NE 3.53Å; E664-R675 PolarHBondContact OE1-NE 3.25Å; E664-R675 IonicContact OE1-NH2 3.14Å; E664-R675 PolarHBondContact OE1-NH2 3.11Å; E664-W709 CarbonylContact O-C 3.46Å; E664-W709 WeakPolarHBondContact O-CA 3.19Å; E664-S710 PolarHBondContact N-O 3.23Å; E664-S710 PolarHBondContact O-N 3.06Å; E664-F712 HydrophobicContact CB-CE2 4.1Å; E664-F712 HydrophobicContact CG-CD2 4.29Å; E664-F712 HydrophobicContact CG-CE2 3.89Å; E664-F712 WeakPolarHBondContact OE2-CE2 2.93Å; E664-K776 VanDerWaalsContact OE1-CE 3.31Å; E664-K776 WeakPolarHBondContact OE1-CE 3.44Å; E664-K776 IonicContact OE1-NZ 2.84Å; E664-K776 PolarHBondContact OE1-NZ 3.13Å; E664-K776 VanDerWaalsContact OE2-CE 3.23Å; E664-K776 WeakPolarHBondContact OE2-CE 3.14Å; E664-K776 IonicContact OE2-NZ 3.93Å; E664-K776 PolarHBondContact OE2-NZ 3.09Å |
| 665 | Q | 92.9 | Very high | 88.5 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.1 | 169.8 | -168.8 | 176.3 | 11.2 | 0 | 0 | 109 | N667 H673 D674 W709 | Q665-N667 PolarHBondContact O-N 3.47Å; Q665-H673 WeakPolarHBondContact O-CA 3.34Å; Q665-D674 PolarHBondContact N-O 3.28Å; Q665-D674 PolarHBondContact O-N 3.18Å; Q665-W709 HydrophobicContact CB-CD2 3.99Å; Q665-W709 HydrophobicContact CB-CE3 3.91Å; Q665-W709 HydrophobicContact CB-CH2 3.83Å; Q665-W709 HydrophobicContact CB-CZ2 3.86Å; Q665-W709 HydrophobicContact CB-CZ3 3.86Å; Q665-W709 VanDerWaalsContact CD-CZ2 3.42Å; Q665-W709 HydrophobicContact CG-CD2 4.12Å; Q665-W709 HydrophobicContact CG-CH2 4.34Å; Q665-W709 HydrophobicContact CG-CZ2 3.85Å; Q665-W709 VanDerWaalsContact OE1-CZ2 3.3Å |
| 666 | W | 89.8 | Confident | 89.3 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 114.6 | 168.7 | 176 | -105.9 | 0 | 0 | 0 | 109.7 | P668 R671 H673 S708 | W666-P668 WeakPolarHBondContact O-CD 3.32Å; W666-R671 VanDerWaalsContact CH2-C 3.49Å; W666-R671 HydrophobicContact CH2-CB 3.87Å; W666-R671 VanDerWaalsContact CH2-O 3.27Å; W666-R671 WeakPolarHBondContact CH2-O 3.5Å; W666-R671 HydrophobicContact CZ2-CB 4.06Å; W666-R671 HydrophobicContact CZ2-CG 4.24Å; W666-R671 WeakPolarHBondContact CZ3-O 3.22Å; W666-H673 AromaticContact CE3-CD2 3.77Å; W666-H673 AromaticContact CE3-CE1 3.47Å; W666-H673 VanDerWaalsContact CE3-CE1 3.47Å; W666-H673 AromaticContact CE3-ND1 3.86Å; W666-H673 AromaticContact CE3-NE2 3.41Å; W666-H673 AromaticContact CZ3-CD2 3.98Å; W666-H673 AromaticContact CZ3-NE2 3.78Å; W666-S708 PolarHBondContact N-O 2.92Å |
| 667 | N | 87.4 | Confident | 89.9 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 109.9 | 175.6 | -171.9 | -24.8 | 0 | 0 | 0 | 109.4 | Q665 E669 T670 R671 S672 D674 | Q665-N667 PolarHBondContact O-N 3.47Å; N667-E669 VanDerWaalsContact C-N 3.27Å; N667-E669 PolarHBondContact O-N 3.13Å; N667-E669 PolarHBondContact OD1-N 2.87Å; N667-E669 VanDerWaalsContact OD1-N 3.09Å; N667-T670 WeakPolarHBondContact CB-OG1 3.45Å; N667-T670 VanDerWaalsContact CG-OG1 3.32Å; N667-R671 VanDerWaalsContact O-CA 3.26Å; N667-R671 WeakPolarHBondContact O-CA 3.34Å; N667-R671 PolarHBondContact O-N 3.45Å; N667-S672 PolarHBondContact N-O 2.95Å; N667-S672 PolarHBondContact O-N 3.49Å; N667-D674 PolarHBondContact ND2-OD2 3.17Å |
| 668 | P | 84.4 | Confident | 90.2 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.9 | -176.3 | 27.3 | -33.6 | 0 | 0 | 0 | 113 | W666 | W666-P668 WeakPolarHBondContact O-CD 3.32Š|
| 669 | E | 84.7 | Confident | 90.4 | Very high | 181 Ų | 181 | 59.6 Ų | 59.6 | 85% | 0.846 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -47 | -177.5 | -63.4 | -146.4 | 162.5 | 0 | 0 | 111.9 | N667 | N667-E669 VanDerWaalsContact C-N 3.27Å; N667-E669 PolarHBondContact O-N 3.13Å; N667-E669 PolarHBondContact OD1-N 2.87Å; N667-E669 VanDerWaalsContact OD1-N 3.09Å |
| 670 | T | 85.9 | Confident | 90.5 | Very high | 87 Ų | 87 | 64 Ų | 64 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -12.6 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | N667 S672 | N667-T670 WeakPolarHBondContact CB-OG1 3.45Å; N667-T670 VanDerWaalsContact CG-OG1 3.32Å; T670-S672 PolarHBondContact O-N 2.97Å; T670-S672 PolarHBondContact OG1-N 3.03Å; T670-S672 PolarHBondContact OG1-OG 3.26Å |
| 671 | R | 84 | Confident | 90.3 | Very high | 201 Ų | 201 | 64.1 Ų | 64.1 | 76% | 0.758 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.6 | -169.5 | -64.8 | 178.2 | 154.7 | 174.7 | -5.1 | 112.2 | W666 N667 | W666-R671 VanDerWaalsContact CH2-C 3.49Å; W666-R671 HydrophobicContact CH2-CB 3.87Å; W666-R671 VanDerWaalsContact CH2-O 3.27Å; W666-R671 WeakPolarHBondContact CH2-O 3.5Å; W666-R671 HydrophobicContact CZ2-CB 4.06Å; W666-R671 HydrophobicContact CZ2-CG 4.24Å; W666-R671 WeakPolarHBondContact CZ3-O 3.22Å; N667-R671 VanDerWaalsContact O-CA 3.26Å; N667-R671 WeakPolarHBondContact O-CA 3.34Å; N667-R671 PolarHBondContact O-N 3.45Å |
| 672 | S | 85 | Confident | 90 | Very high | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 167.8 | 177 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | N667 T670 | N667-S672 PolarHBondContact N-O 2.95Å; N667-S672 PolarHBondContact O-N 3.49Å; T670-S672 PolarHBondContact O-N 2.97Å; T670-S672 PolarHBondContact OG1-N 3.03Å; T670-S672 PolarHBondContact OG1-OG 3.26Å |
| 673 | H | 86.9 | Confident | 89.1 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119.2 | 169.5 | -75.4 | -77.2 | 0 | 0 | 0 | 109.3 | E664 Q665 W666 R675 | E664-H673 HydrophobicContact CB-CB 4.15Å; E664-H673 HydrophobicContact CG-CB 4.31Å; E664-H673 IonicContact OE2-CG 3.64Å; E664-H673 IonicContact OE2-ND1 3.6Å; Q665-H673 WeakPolarHBondContact O-CA 3.34Å; W666-H673 AromaticContact CE3-CD2 3.77Å; W666-H673 AromaticContact CE3-CE1 3.47Å; W666-H673 VanDerWaalsContact CE3-CE1 3.47Å; W666-H673 AromaticContact CE3-ND1 3.86Å; W666-H673 AromaticContact CE3-NE2 3.41Å; W666-H673 AromaticContact CZ3-CD2 3.98Å; W666-H673 AromaticContact CZ3-NE2 3.78Å; H673-R675 PolarHBondContact O-N 3.45Å |
| 674 | D | 90.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.4 | 172.8 | -62.3 | -30.9 | 0 | 0 | 0 | 107.8 | E664 Q665 N667 Y676 | E664-D674 WeakPolarHBondContact CA-O 3.31Å; Q665-D674 PolarHBondContact N-O 3.28Å; Q665-D674 PolarHBondContact O-N 3.18Å; N667-D674 PolarHBondContact ND2-OD2 3.17Å; D674-Y676 HydrophobicContact CB-CE2 3.83Å; D674-Y676 WeakPolarHBondContact O-CD2 3.24Å; D674-Y676 WeakPolarHBondContact O-CE2 3.28Å |
| 675 | R | 93.8 | Very high | 87.5 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130 | -170.9 | -172.5 | 178.8 | -73.5 | -178.3 | 5.2 | 111.5 | V662 E664 H673 P771 F772 A774 | V662-R675 HydrophobicContact CG1-CG 3.59Å; E664-R675 HydrophobicContact CG-CB 4.1Å; E664-R675 HydrophobicContact CG-CG 4Å; E664-R675 IonicContact OE1-CZ 2.98Å; E664-R675 IonicContact OE1-NE 3.53Å; E664-R675 PolarHBondContact OE1-NE 3.25Å; E664-R675 IonicContact OE1-NH2 3.14Å; E664-R675 PolarHBondContact OE1-NH2 3.11Å; H673-R675 PolarHBondContact O-N 3.45Å; R675-P771 WeakPolarHBondContact CD-O 3.36Å; R675-P771 PolarHBondContact NH1-O 2.87Å; R675-F772 HydrophobicContact CG-CD1 4.45Å; R675-F772 PolarHBondContact NH1-O 3Å; R675-F772 VanDerWaalsContact NH1-O 3.07Å; R675-A774 PolarHBondContact NH1-O 2.85Å; R675-A774 PolarHBondContact NH2-O 3.39Å |
| 676 | Y | 95.4 | Very high | 86.9 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 13% | 0.125 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.7 | 179.8 | -58.8 | -87.8 | 0 | 0 | 0 | 111.3 | V662 M663 D674 L690 R691 N692 Q698 W709 | V662-Y676 CarbonylContact C-O 3.52Å; V662-Y676 WeakPolarHBondContact CA-O 3.46Å; V662-Y676 WeakPolarHBondContact CG1-O 3.23Å; M663-Y676 PolarHBondContact N-O 3.48Å; M663-Y676 PolarHBondContact O-N 3.31Å; D674-Y676 HydrophobicContact CB-CE2 3.83Å; D674-Y676 WeakPolarHBondContact O-CD2 3.24Å; D674-Y676 WeakPolarHBondContact O-CE2 3.28Å; Y676-L690 HydrophobicContact CD1-CB 4.17Å; Y676-L690 HydrophobicContact CG-CB 4.25Å; Y676-L690 HydrophobicContact CG-CD1 4.43Å; Y676-R691 CarbonylContact C-O 3.41Å; Y676-R691 VanDerWaalsContact CA-O 3.28Å; Y676-R691 WeakPolarHBondContact CA-O 3.41Å; Y676-N692 HydrophobicContact CD1-CB 3.87Å; Y676-N692 HydrophobicContact CE1-CB 3.81Å; Y676-Q698 HydrophobicContact CE1-CG 4.46Å; Y676-Q698 VanDerWaalsContact CZ-NE2 3.28Å; Y676-W709 HydrophobicContact CD2-CH2 4.13Å; Y676-W709 AromaticContact CD2-CZ3 3.97Å; Y676-W709 HydrophobicContact CD2-CZ3 3.97Å; Y676-W709 HydrophobicContact CE2-CH2 4.14Å; Y676-W709 HydrophobicContact CE2-CZ3 4.37Å |
| 677 | V | 95.8 | Very high | 86.9 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.9 | 169.4 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | V662 E679 L690 R691 P771 F772 | V662-V677 HydrophobicContact CG2-CG2 4.35Å; V677-E679 PolarHBondContact O-N 3.39Å; V677-L690 CarbonylContact O-C 3.46Å; V677-L690 WeakPolarHBondContact O-CA 3.26Å; V677-R691 PolarHBondContact N-O 3.3Å; V677-R691 PolarHBondContact O-N 3.11Å; V677-P771 HydrophobicContact CG2-CB 4.28Å; V677-P771 HydrophobicContact CG2-CG 3.93Å; V677-F772 HydrophobicContact CB-CZ 4.16Å; V677-F772 HydrophobicContact CG2-CD1 4.41Å; V677-F772 HydrophobicContact CG2-CE1 3.68Å; V677-F772 HydrophobicContact CG2-CE2 4Å; V677-F772 HydrophobicContact CG2-CZ 3.45Å; V677-F772 VanDerWaalsContact CG2-CZ 3.45Å |
| 678 | T | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 114.8 | 177.1 | -37.1 | 0 | 0 | 0 | 0 | 108.3 | P659 G660 M661 V681 L688 L690 | P659-T678 CarbonylContact C-O 3.52Å; G660-T678 PolarHBondContact N-O 2.9Å; M661-T678 WeakPolarHBondContact O-CB 3.47Å; M661-T678 PolarHBondContact O-N 3.36Å; M661-T678 PolarHBondContact O-OG1 2.93Å; T678-V681 HydrophobicContact CG2-CG2 4.26Å; T678-L688 HydrophobicContact CG2-CB 4.44Å; T678-L688 HydrophobicContact CG2-CD2 4.12Å; T678-L690 HydrophobicContact CG2-CD2 4.16Å |
| 679 | E | 92.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -43.1 | -176.6 | -167.9 | 171.4 | -132.3 | 0 | 0 | 111.6 | V677 T689 R691 T697 | V677-E679 PolarHBondContact O-N 3.39Å; E679-T689 PolarHBondContact N-O 2.92Å; E679-R691 IonicContact OE1-NH1 2.85Å; E679-T697 VanDerWaalsContact OE2-CG2 3.32Å; E679-T697 WeakPolarHBondContact OE2-CG2 3.33Å |
| 680 | R | 90.9 | Very high | 88.2 | Confident | 172 Ų | 172 | 57.7 Ų | 57.7 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 146.2 | 174.6 | -82.4 | 178 | 71.6 | 122.1 | -3.8 | 111 | T689 | R680-T689 PolarHBondContact O-N 3.09Å |
| 681 | V | 87.9 | Confident | 88.6 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 108.7 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 107 | R654 P659 T678 A683 L688 | R654-V681 HydrophobicContact CG-CG1 3.71Å; P659-V681 HydrophobicContact CG-CG2 4.45Å; T678-V681 HydrophobicContact CG2-CG2 4.26Å; V681-A683 PolarHBondContact O-N 2.91Å; V681-L688 HydrophobicContact CB-CD2 4.25Å; V681-L688 HydrophobicContact CG1-CD2 3.98Å; V681-L688 HydrophobicContact CG2-CD2 3.83Å |
| 682 | T | 86.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 99.6 | -176.8 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | Q684 S685 H686 S687 | T682-Q684 PolarHBondContact O-N 3.28Å; T682-S685 WeakPolarHBondContact CG2-OG 3.44Å; T682-H686 PolarHBondContact O-N 3Å; T682-H686 VanDerWaalsContact O-N 3.13Å; T682-S687 PolarHBondContact N-O 3.08Å; T682-S687 PolarHBondContact O-N 3.24Å |
| 683 | A | 75.5 | Confident | 89.3 | Confident | 40 Ų | 40 | 50 Ų | 50 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -44.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P356 R654 V681 S685 H686 | P356-A683 WeakPolarHBondContact CD-O 3.26Å; P356-A683 HydrophobicContact CG-CB 4.12Å; P356-A683 WeakPolarHBondContact CG-O 3.48Å; R654-A683 PolarHBondContact NH1-O 2.92Å; V681-A683 PolarHBondContact O-N 2.91Å; A683-S685 PolarHBondContact O-N 3.15Å; A683-H686 PolarHBondContact O-N 3.2Å |
| 684 | Q | 75 | Confident | 89.4 | Confident | 168 Ų | 168 | 53.3 Ų | 53.3 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.4 | -174.5 | -163.2 | 176.1 | 12.3 | 0 | 0 | 113.6 | T682 | T682-Q684 PolarHBondContact O-N 3.28Š|
| 685 | S | 79.5 | Confident | 89.2 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 4.3 | 179 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | T682 A683 S687 | T682-S685 WeakPolarHBondContact CG2-OG 3.44Å; A683-S685 PolarHBondContact O-N 3.15Å; S685-S687 VanDerWaalsContact C-N 3.26Å; S685-S687 WeakPolarHBondContact CB-OG 3.3Å; S685-S687 PolarHBondContact O-N 3.08Å; S685-S687 PolarHBondContact O-OG 3Å; S685-S687 WeakPolarHBondContact OG-CB 3.36Å; S685-S687 PolarHBondContact OG-OG 3.34Å |
| 686 | H | 81.2 | Confident | 89 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 47.8 | -173.9 | -156.8 | 58.4 | 0 | 0 | 0 | 113 | Y652 T682 A683 I702 | Y652-H686 PolarHBondContact O-NE2 3.04Å; T682-H686 PolarHBondContact O-N 3Å; T682-H686 VanDerWaalsContact O-N 3.13Å; A683-H686 PolarHBondContact O-N 3.2Å; H686-I702 WeakPolarHBondContact O-CG1 3.43Å; H686-I702 PolarHBondContact O-N 3.17Å |
| 687 | S | 88.8 | Confident | 88.9 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155 | -170.5 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | T682 S685 V700 | T682-S687 PolarHBondContact N-O 3.08Å; T682-S687 PolarHBondContact O-N 3.24Å; S685-S687 VanDerWaalsContact C-N 3.26Å; S685-S687 WeakPolarHBondContact CB-OG 3.3Å; S685-S687 PolarHBondContact O-N 3.08Å; S685-S687 PolarHBondContact O-OG 3Å; S685-S687 WeakPolarHBondContact OG-CB 3.36Å; S685-S687 PolarHBondContact OG-OG 3.34Å; S687-V700 CarbonylContact C-O 3.18Å; S687-V700 WeakPolarHBondContact CA-O 3.48Å |
| 688 | L | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132 | 171.6 | -57.4 | 175.2 | 0 | 0 | 0 | 109.5 | Y657 M663 T678 V681 L690 V699 V700 I702 L705 | Y657-L688 HydrophobicContact CD1-CD1 3.56Å; Y657-L688 HydrophobicContact CD1-CD2 4.44Å; Y657-L688 HydrophobicContact CD2-CD1 4.19Å; Y657-L688 HydrophobicContact CD2-CD2 4.41Å; Y657-L688 HydrophobicContact CE1-CD1 3.85Å; Y657-L688 HydrophobicContact CE2-CD1 4.44Å; Y657-L688 HydrophobicContact CG-CD1 3.76Å; Y657-L688 HydrophobicContact CG-CD2 3.93Å; Y657-L688 HydrophobicContact CG-CG 4.48Å; M663-L688 HydrophobicContact CE-CD1 4.32Å; M663-L688 HydrophobicContact SD-CD1 3.82Å; T678-L688 HydrophobicContact CG2-CB 4.44Å; T678-L688 HydrophobicContact CG2-CD2 4.12Å; V681-L688 HydrophobicContact CB-CD2 4.25Å; V681-L688 HydrophobicContact CG1-CD2 3.98Å; V681-L688 HydrophobicContact CG2-CD2 3.83Å; L688-L690 HydrophobicContact CB-CD2 4.13Å; L688-L690 HydrophobicContact CB-CG 4.42Å; L688-V699 CarbonylContact O-C 3.56Å; L688-V699 WeakPolarHBondContact O-CA 3.23Å; L688-V700 PolarHBondContact N-O 2.69Å; L688-V700 PolarHBondContact O-N 3.24Å; L688-I702 HydrophobicContact CD1-CG1 4.18Å; L688-I702 HydrophobicContact CD2-CD1 4.15Å; L688-I702 HydrophobicContact CD2-CG1 4.23Å; L688-I702 HydrophobicContact CG-CD1 4.25Å; L688-I702 HydrophobicContact CG-CG1 3.77Å; L688-L705 HydrophobicContact CD1-CD1 4.31Å |
| 689 | T | 95.2 | Very high | 88.7 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.5 | 165.1 | -55.2 | 0 | 0 | 0 | 0 | 108.1 | E679 R680 T697 Q698 | E679-T689 PolarHBondContact N-O 2.92Å; R680-T689 PolarHBondContact O-N 3.09Å; T689-T697 HydrophobicContact CG2-CG2 4.4Å; T689-Q698 CarbonylContact C-O 3.56Å; T689-Q698 WeakPolarHBondContact CA-O 3.4Å |
| 690 | L | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.7 | -177.8 | -60.8 | -175.4 | 0 | 0 | 0 | 110.2 | M663 Y676 V677 T678 L688 T697 Q698 V700 W709 | M663-L690 HydrophobicContact SD-CD2 3.81Å; Y676-L690 HydrophobicContact CD1-CB 4.17Å; Y676-L690 HydrophobicContact CG-CB 4.25Å; Y676-L690 HydrophobicContact CG-CD1 4.43Å; V677-L690 CarbonylContact O-C 3.46Å; V677-L690 WeakPolarHBondContact O-CA 3.26Å; T678-L690 HydrophobicContact CG2-CD2 4.16Å; L688-L690 HydrophobicContact CB-CD2 4.13Å; L688-L690 HydrophobicContact CB-CG 4.42Å; L690-T697 CarbonylContact O-C 3.24Å; L690-T697 VanDerWaalsContact O-CA 3.27Å; L690-T697 WeakPolarHBondContact O-CA 3.33Å; L690-Q698 HydrophobicContact CB-CG 3.97Å; L690-Q698 PolarHBondContact N-O 3.07Å; L690-Q698 PolarHBondContact O-N 2.9Å; L690-V700 HydrophobicContact CD1-CB 4.29Å; L690-V700 HydrophobicContact CD1-CG2 3.77Å; L690-V700 HydrophobicContact CG-CG2 4.36Å; L690-W709 HydrophobicContact CD1-CH2 3.78Å; L690-W709 HydrophobicContact CD1-CZ3 3.87Å |
| 691 | R | 95.5 | Very high | 88.6 | Confident | 88 Ų | 88 | 64 Ų | 64 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | 178.7 | -171.1 | -176.7 | 71.3 | -168.5 | 3.1 | 111 | Y676 V677 E679 E696 T697 | Y676-R691 CarbonylContact C-O 3.41Å; Y676-R691 VanDerWaalsContact CA-O 3.28Å; Y676-R691 WeakPolarHBondContact CA-O 3.41Å; V677-R691 PolarHBondContact N-O 3.3Å; V677-R691 PolarHBondContact O-N 3.11Å; E679-R691 IonicContact OE1-NH1 2.85Å; R691-E696 WeakPolarHBondContact CA-O 3.44Å; R691-T697 HydrophobicContact CB-CG2 4.38Å; R691-T697 HydrophobicContact CG-CG2 4.33Å |
| 692 | N | 93.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | trans | -85 | -178.8 | 174.6 | 69.6 | 10.7 | 0 | 0 | 0 | 112.3 | Y676 Q694 G695 E696 F772 | Y676-N692 HydrophobicContact CD1-CB 3.87Å; Y676-N692 HydrophobicContact CE1-CB 3.81Å; N692-Q694 VanDerWaalsContact CG-OE1 3.27Å; N692-Q694 PolarHBondContact ND2-OE1 3.34Å; N692-Q694 PolarHBondContact O-N 2.67Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.41Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.3Å; N692-Q694 PolarHBondContact OD1-N 3.36Å; N692-Q694 VanDerWaalsContact OD1-N 3.07Å; N692-Q694 PolarHBondContact OD1-OE1 2.9Å; N692-G695 PolarHBondContact O-N 3.28Å; N692-G695 VanDerWaalsContact O-N 3.15Å; N692-G695 PolarHBondContact OD1-N 3.39Å; N692-E696 PolarHBondContact N-O 3.41Å; N692-E696 PolarHBondContact ND2-OE2 3.19Å; N692-E696 WeakPolarHBondContact OD1-CB 3.5Å; N692-E696 PolarHBondContact OD1-N 3.44Å; N692-E696 PolarHBondContact OD1-O 2.92Å; N692-F772 VanDerWaalsContact C-CE1 3.45Å; N692-F772 WeakPolarHBondContact O-CZ 3.34Å | ||
| 693 | A | 89.4 | Confident | 88.4 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 51% | 0.512 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G695 F772 | A693-G695 VanDerWaalsContact C-N 3.27Å; A693-F772 HydrophobicContact CB-CB 4.33Å; A693-F772 HydrophobicContact CB-CD1 3.87Å; A693-F772 HydrophobicContact CB-CE1 4.28Å; A693-F772 HydrophobicContact CB-CG 4Å |
| 694 | Q | 89.7 | Confident | 89 | Confident | 143 Ų | 143 | 65.6 Ų | 65.6 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.4 | 177 | -64.2 | 71.4 | 21.9 | 0 | 0 | 112.5 | N692 E696 | N692-Q694 VanDerWaalsContact CG-OE1 3.27Å; N692-Q694 PolarHBondContact ND2-OE1 3.34Å; N692-Q694 PolarHBondContact O-N 2.67Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.41Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.3Å; N692-Q694 PolarHBondContact OD1-N 3.36Å; N692-Q694 VanDerWaalsContact OD1-N 3.07Å; N692-Q694 PolarHBondContact OD1-OE1 2.9Å; Q694-E696 VanDerWaalsContact C-N 3.33Å; Q694-E696 HydrophobicContact CB-CG 4.27Å |
| 695 | G | 86.8 | Confident | 89.7 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | trans | 83.8 | 3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N692 A693 | N692-G695 PolarHBondContact O-N 3.28Å; N692-G695 VanDerWaalsContact O-N 3.15Å; N692-G695 PolarHBondContact OD1-N 3.39Å; A693-G695 VanDerWaalsContact C-N 3.27Å | ||
| 696 | E | 89 | Confident | 90.1 | Very high | 127 Ų | 127 | 58.5 Ų | 58.5 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | trans | -72.1 | 134.5 | 176.1 | -55.6 | 172.3 | 151.1 | 0 | 0 | 109.6 | R691 N692 Q694 | R691-E696 WeakPolarHBondContact CA-O 3.44Å; N692-E696 PolarHBondContact N-O 3.41Å; N692-E696 PolarHBondContact ND2-OE2 3.19Å; N692-E696 WeakPolarHBondContact OD1-CB 3.5Å; N692-E696 PolarHBondContact OD1-N 3.44Å; N692-E696 PolarHBondContact OD1-O 2.92Å; Q694-E696 VanDerWaalsContact C-N 3.33Å; Q694-E696 HydrophobicContact CB-CG 4.27Å | ||
| 697 | T | 92.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.8 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | E679 T689 L690 R691 | E679-T697 VanDerWaalsContact OE2-CG2 3.32Å; E679-T697 WeakPolarHBondContact OE2-CG2 3.33Å; T689-T697 HydrophobicContact CG2-CG2 4.4Å; L690-T697 CarbonylContact O-C 3.24Å; L690-T697 VanDerWaalsContact O-CA 3.27Å; L690-T697 WeakPolarHBondContact O-CA 3.33Å; R691-T697 HydrophobicContact CB-CG2 4.38Å; R691-T697 HydrophobicContact CG-CG2 4.33Å |
| 698 | Q | 93.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.6 | 171.1 | 65.6 | 173.5 | -3.3 | 0 | 0 | 110.1 | Y676 T689 L690 V700 | Y676-Q698 HydrophobicContact CE1-CG 4.46Å; Y676-Q698 VanDerWaalsContact CZ-NE2 3.28Å; T689-Q698 CarbonylContact C-O 3.56Å; T689-Q698 WeakPolarHBondContact CA-O 3.4Å; L690-Q698 HydrophobicContact CB-CG 3.97Å; L690-Q698 PolarHBondContact N-O 3.07Å; L690-Q698 PolarHBondContact O-N 2.9Å; Q698-V700 HydrophobicContact CG-CG2 4.15Å |
| 699 | V | 93.1 | Very high | 90.4 | Very high | 103 Ų | 103 | 64 Ų | 64 | 62% | 0.624 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.9 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | L688 | L688-V699 CarbonylContact O-C 3.56Å; L688-V699 WeakPolarHBondContact O-CA 3.23Å |
| 700 | V | 92.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.1 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | S687 L688 L690 Q698 L705 | S687-V700 CarbonylContact C-O 3.18Å; S687-V700 WeakPolarHBondContact CA-O 3.48Å; L688-V700 PolarHBondContact N-O 2.69Å; L688-V700 PolarHBondContact O-N 3.24Å; L690-V700 HydrophobicContact CD1-CB 4.29Å; L690-V700 HydrophobicContact CD1-CG2 3.77Å; L690-V700 HydrophobicContact CG-CG2 4.36Å; Q698-V700 HydrophobicContact CG-CG2 4.15Å; V700-L705 HydrophobicContact CG1-CD2 3.94Å |
| 701 | R | 87.9 | Confident | 90.1 | Very high | 170 Ų | 170 | 65.1 Ų | 65.1 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.1 | 172.6 | -69.9 | -168.3 | -173.9 | -156 | 3 | 109.4 | S703 S704 | R701-S703 PolarHBondContact O-N 2.96Å; R701-S704 PolarHBondContact O-N 3.13Å; R701-S704 PolarHBondContact O-OG 2.88Å |
| 702 | I | 88 | Confident | 90 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -62.1 | -34.5 | 179.4 | -65.5 | 170.3 | 0 | 0 | 0 | 110.5 | Y652 R654 Y657 H686 L688 S704 L705 | Y652-I702 WeakPolarHBondContact O-CG2 3.38Å; R654-I702 HydrophobicContact CB-CD1 4.15Å; R654-I702 HydrophobicContact CG-CD1 4.18Å; Y657-I702 HydrophobicContact CD2-CD1 4.46Å; Y657-I702 HydrophobicContact CE2-CG2 4.21Å; H686-I702 WeakPolarHBondContact O-CG1 3.43Å; H686-I702 PolarHBondContact O-N 3.17Å; L688-I702 HydrophobicContact CD1-CG1 4.18Å; L688-I702 HydrophobicContact CD2-CD1 4.15Å; L688-I702 HydrophobicContact CD2-CG1 4.23Å; L688-I702 HydrophobicContact CG-CD1 4.25Å; L688-I702 HydrophobicContact CG-CG1 3.77Å; I702-S704 PolarHBondContact O-N 2.91Å; I702-L705 HydrophobicContact CG2-CD1 4.31Å; I702-L705 WeakPolarHBondContact O-CB 3.39Å; I702-L705 WeakPolarHBondContact O-CG 3.38Å; I702-L705 PolarHBondContact O-N 3.26Å |
| 703 | S | 82.1 | Confident | 89.9 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -65.1 | -19.6 | 176.1 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | R701 | R701-S703 PolarHBondContact O-N 2.96Š|
| 704 | S | 87.7 | Confident | 90 | Very high | 76 Ų | 76 | 64.6 Ų | 64.6 | 53% | 0.531 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -88.9 | 0.2 | 176.3 | 57 | 0 | 0 | 0 | 0 | 114 | R701 I702 | R701-S704 PolarHBondContact O-N 3.13Å; R701-S704 PolarHBondContact O-OG 2.88Å; I702-S704 PolarHBondContact O-N 2.91Å |
| 705 | L | 90.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | trans | -72.7 | 142.7 | 177.7 | -61.8 | 175.4 | 0 | 0 | 0 | 111.1 | R651 Y652 Y657 M663 L688 V700 I702 W709 | R651-L705 HydrophobicContact CG-CB 4.16Å; Y652-L705 WeakPolarHBondContact CE1-O 3.41Å; Y652-L705 PolarHBondContact OH-O 3.21Å; Y657-L705 HydrophobicContact CE1-CD1 4.22Å; Y657-L705 HydrophobicContact CE2-CD1 4.2Å; Y657-L705 WeakPolarHBondContact OH-CD1 3.4Å; M663-L705 HydrophobicContact CE-CD1 4.23Å; M663-L705 HydrophobicContact CE-CD2 4.03Å; L688-L705 HydrophobicContact CD1-CD1 4.31Å; V700-L705 HydrophobicContact CG1-CD2 3.94Å; I702-L705 HydrophobicContact CG2-CD1 4.31Å; I702-L705 WeakPolarHBondContact O-CB 3.39Å; I702-L705 WeakPolarHBondContact O-CG 3.38Å; I702-L705 PolarHBondContact O-N 3.26Å; L705-W709 HydrophobicContact CD2-CD2 3.95Å; L705-W709 HydrophobicContact CD2-CG 3.94Å | ||
| 706 | D | 89 | Confident | 90.1 | Very high | 75 Ų | 75 | 66 Ų | 66 | 40% | 0.401 | 35% | 0.352 | S | S | . | . | trans | -131.1 | -175 | 178.2 | 68.5 | 12.8 | 0 | 0 | 0 | 111.1 | R651 S708 W709 | R651-D706 VanDerWaalsContact CD-O 3.3Å; R651-D706 WeakPolarHBondContact CD-O 3.34Å; R651-D706 PolarHBondContact NH1-O 3.19Å; D706-S708 PolarHBondContact O-N 3.04Å; D706-S708 VanDerWaalsContact O-N 3.13Å; D706-S708 WeakPolarHBondContact OD1-CB 3.37Å; D706-S708 PolarHBondContact OD1-N 3.04Å; D706-S708 PolarHBondContact OD1-OG 3.47Å; D706-W709 PolarHBondContact O-N 2.75Å | ||
| 707 | S | 86.4 | Confident | 90.1 | Very high | 113 Ų | 113 | 60.8 Ų | 60.8 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.8 | -179.2 | 55.7 | 0 | 0 | 0 | 0 | 115 | W709 | S707-W709 PolarHBondContact O-N 3.26Š|
| 708 | S | 89 | Confident | 90.1 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.3 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | W666 D706 | W666-S708 PolarHBondContact N-O 2.92Å; D706-S708 PolarHBondContact O-N 3.04Å; D706-S708 VanDerWaalsContact O-N 3.13Å; D706-S708 WeakPolarHBondContact OD1-CB 3.37Å; D706-S708 PolarHBondContact OD1-N 3.04Å; D706-S708 PolarHBondContact OD1-OG 3.47Å |
| 709 | W | 92 | Very high | 90.1 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 138.1 | -178.7 | -69.4 | 86 | 0 | 0 | 0 | 112.7 | R651 M663 E664 Q665 Y676 L690 L705 D706 S707 | R651-W709 PolarHBondContact NH1-O 2.89Å; M663-W709 HydrophobicContact CB-CE3 4.08Å; M663-W709 HydrophobicContact CB-CZ3 4.07Å; M663-W709 HydrophobicContact CE-CD2 4.16Å; M663-W709 HydrophobicContact CE-CE3 3.62Å; M663-W709 HydrophobicContact CE-CZ3 4.16Å; E664-W709 CarbonylContact O-C 3.46Å; E664-W709 WeakPolarHBondContact O-CA 3.19Å; Q665-W709 HydrophobicContact CB-CD2 3.99Å; Q665-W709 HydrophobicContact CB-CE3 3.91Å; Q665-W709 HydrophobicContact CB-CH2 3.83Å; Q665-W709 HydrophobicContact CB-CZ2 3.86Å; Q665-W709 HydrophobicContact CB-CZ3 3.86Å; Q665-W709 VanDerWaalsContact CD-CZ2 3.42Å; Q665-W709 HydrophobicContact CG-CD2 4.12Å; Q665-W709 HydrophobicContact CG-CH2 4.34Å; Q665-W709 HydrophobicContact CG-CZ2 3.85Å; Q665-W709 VanDerWaalsContact OE1-CZ2 3.3Å; Y676-W709 HydrophobicContact CD2-CH2 4.13Å; Y676-W709 AromaticContact CD2-CZ3 3.97Å; Y676-W709 HydrophobicContact CD2-CZ3 3.97Å; Y676-W709 HydrophobicContact CE2-CH2 4.14Å; Y676-W709 HydrophobicContact CE2-CZ3 4.37Å; L690-W709 HydrophobicContact CD1-CH2 3.78Å; L690-W709 HydrophobicContact CD1-CZ3 3.87Å; L705-W709 HydrophobicContact CD2-CD2 3.95Å; L705-W709 HydrophobicContact CD2-CG 3.94Å; D706-W709 PolarHBondContact O-N 2.75Å; S707-W709 PolarHBondContact O-N 3.26Å |
| 710 | S | 91.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148 | 170.3 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | M663 E664 | M663-S710 VanDerWaalsContact CA-O 3.29Å; M663-S710 WeakPolarHBondContact CA-O 3.37Å; E664-S710 PolarHBondContact N-O 3.23Å; E664-S710 PolarHBondContact O-N 3.06Å |
| 711 | L | 93.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.6 | 178.8 | -177.6 | 67.6 | 0 | 0 | 0 | 109.5 | V644 L646 M656 Y657 M661 M663 | V644-L711 HydrophobicContact CB-CB 4.29Å; V644-L711 HydrophobicContact CB-CD2 3.94Å; V644-L711 HydrophobicContact CB-CG 4.01Å; V644-L711 HydrophobicContact CG1-CD2 3.93Å; V644-L711 HydrophobicContact CG2-CD2 4.43Å; V644-L711 HydrophobicContact CG2-CG 4.31Å; V644-L711 PolarHBondContact N-O 3.21Å; L646-L711 HydrophobicContact CD1-CB 3.58Å; L646-L711 HydrophobicContact CD1-CD2 4.16Å; L646-L711 HydrophobicContact CD2-CD2 4.13Å; L646-L711 HydrophobicContact CG-CB 4.16Å; L646-L711 HydrophobicContact CG-CD2 4.34Å; M656-L711 WeakPolarHBondContact O-CD2 3.48Å; Y657-L711 HydrophobicContact CD1-CD1 4.02Å; Y657-L711 HydrophobicContact CD1-CD2 4.18Å; Y657-L711 HydrophobicContact CE1-CD1 4.15Å; Y657-L711 HydrophobicContact CE1-CD2 4.11Å; M661-L711 HydrophobicContact CB-CD1 3.95Å; M661-L711 HydrophobicContact SD-CD1 4.01Å; M661-L711 HydrophobicContact SD-CD2 4.1Å; M661-L711 HydrophobicContact SD-CG 4.26Å; M663-L711 HydrophobicContact CG-CD1 3.59Å; M663-L711 HydrophobicContact SD-CD1 4.33Å |
| 712 | F | 93.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.1 | -178.4 | -57.9 | -84.1 | 0 | 0 | 0 | 110.9 | L641 S642 P643 V662 E664 K776 | L641-F712 HydrophobicContact CB-CB 4.05Å; L641-F712 HydrophobicContact CB-CD1 4.11Å; L641-F712 HydrophobicContact CB-CG 4.21Å; L641-F712 HydrophobicContact CD1-CB 4.42Å; L641-F712 HydrophobicContact CD1-CG 4.39Å; L641-F712 HydrophobicContact CD2-CB 4.26Å; L641-F712 HydrophobicContact CG-CB 4.47Å; S642-F712 CarbonylContact O-C 3.5Å; S642-F712 VanDerWaalsContact O-CA 3.3Å; S642-F712 WeakPolarHBondContact O-CA 3.43Å; P643-F712 HydrophobicContact CB-CD1 3.96Å; P643-F712 HydrophobicContact CB-CE1 3.89Å; V662-F712 HydrophobicContact CB-CB 4.19Å; V662-F712 PolarHBondContact N-O 3.5Å; V662-F712 PolarHBondContact O-N 2.99Å; E664-F712 HydrophobicContact CB-CE2 4.1Å; E664-F712 HydrophobicContact CG-CD2 4.29Å; E664-F712 HydrophobicContact CG-CE2 3.89Å; E664-F712 WeakPolarHBondContact OE2-CE2 2.93Å; F712-K776 HydrophobicContact CE1-CD 4.35Å; F712-K776 HydrophobicContact CZ-CD 4.28Å |
| 713 | R | 90.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.5 | 168.8 | -172.6 | 165.9 | 55.3 | -166.7 | -4.8 | 108.8 | S642 V644 E715 E1320 | S642-R713 PolarHBondContact N-O 3.36Å; S642-R713 PolarHBondContact O-N 2.69Å; V644-R713 HydrophobicContact CG2-CB 4.29Å; R713-E715 HydrophobicContact CG-CG 4.25Å; R713-E715 IonicContact CZ-OE1 2.89Å; R713-E715 IonicContact NE-OE1 2.85Å; R713-E715 PolarHBondContact NE-OE1 2.9Å; R713-E715 IonicContact NH2-OE1 3.29Å; R713-E715 PolarHBondContact NH2-OE1 2.91Å; R713-E715 VanDerWaalsContact NH2-OE1 3.12Å; R713-E1320 IonicContact NH1-OE2 3.74Å |
| 714 | P | 92.2 | Very high | 91 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.6 | 172.7 | 29.7 | -31.1 | 0 | 0 | 0 | 109.6 | T639 A640 L641 G660 V662 | T639-P714 HydrophobicContact CG2-CB 3.98Å; A640-P714 WeakPolarHBondContact O-CA 3.19Å; L641-P714 HydrophobicContact CD2-CB 4.13Å; G660-P714 WeakPolarHBondContact O-CG 3.34Å; V662-P714 HydrophobicContact CG2-CB 4.4Å; V662-P714 HydrophobicContact CG2-CG 4.3Å |
| 715 | E | 88.6 | Confident | 91.2 | Very high | 78 Ų | 78 | 39.7 Ų | 39.7 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.7 | 178.8 | -64.7 | -163.1 | -166.7 | 0 | 0 | 111 | T639 A640 R713 | T639-E715 WeakPolarHBondContact CA-O 3.44Å; A640-E715 PolarHBondContact N-O 2.96Å; A640-E715 PolarHBondContact O-N 3.44Å; R713-E715 HydrophobicContact CG-CG 4.25Å; R713-E715 IonicContact CZ-OE1 2.89Å; R713-E715 IonicContact NE-OE1 2.85Å; R713-E715 PolarHBondContact NE-OE1 2.9Å; R713-E715 IonicContact NH2-OE1 3.29Å; R713-E715 PolarHBondContact NH2-OE1 2.91Å; R713-E715 VanDerWaalsContact NH2-OE1 3.12Å |
| 716 | K | 89.3 | Confident | 91.1 | Very high | 137 Ų | 137 | 40.6 Ų | 40.6 | 60% | 0.596 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 119 | 173.9 | -66 | -63.7 | -175.9 | -175.2 | 0 | 108.2 | T637 T639 | T637-K716 HydrophobicContact CG2-CB 4.27Å; T637-K716 HydrophobicContact CG2-CD 4.31Å; T639-K716 PolarHBondContact OG1-NZ 2.82Å |
| 717 | M | 89.8 | Confident | 91.2 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.6 | -176.5 | -167.9 | 179.6 | 89 | 0 | 0 | 109.2 | M638 A640 V719 L725 | M638-M717 HydrophobicContact CE-CE 4.23Å; M638-M717 PolarHBondContact N-O 3.36Å; M638-M717 PolarHBondContact O-N 3.17Å; A640-M717 HydrophobicContact CB-CB 4.28Å; A640-M717 HydrophobicContact CB-SD 4.31Å; M717-V719 HydrophobicContact CE-CG2 3.5Å; M717-V719 VanDerWaalsContact CE-CG2 3.5Å; M717-L725 HydrophobicContact CE-CD1 4.04Å; M717-L725 HydrophobicContact CE-CD2 3.37Å; M717-L725 HydrophobicContact CE-CG 4.34Å; M717-L725 HydrophobicContact SD-CD2 4.19Å |
| 718 | P | 92 | Very high | 91.2 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 29% | 0.292 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.7 | 171.5 | 23.9 | -20 | 0 | 0 | 0 | 109.3 | R622 V636 | R622-P718 PolarHBondContact NH1-O 3.23Å; R622-P718 PolarHBondContact NH2-O 3.18Å; V636-P718 CarbonylContact O-C 3.48Å |
| 719 | V | 93 | Very high | 90.9 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.5 | -178.4 | -173.7 | 0 | 0 | 0 | 0 | 109 | E635 V636 M717 E723 V744 V747 M752 | E635-V719 WeakPolarHBondContact CA-O 3.36Å; V636-V719 PolarHBondContact N-O 2.79Å; V636-V719 PolarHBondContact O-N 2.92Å; M717-V719 HydrophobicContact CE-CG2 3.5Å; M717-V719 VanDerWaalsContact CE-CG2 3.5Å; V719-E723 HydrophobicContact CG1-CB 4.09Å; V719-E723 HydrophobicContact CG1-CG 4.28Å; V719-V744 HydrophobicContact CG1-CG1 4.4Å; V719-V744 HydrophobicContact CG1-CG2 4Å; V719-V747 HydrophobicContact CB-CG2 4.37Å; V719-V747 HydrophobicContact CG1-CB 4.37Å; V719-V747 HydrophobicContact CG1-CG1 4.45Å; V719-V747 HydrophobicContact CG1-CG2 4.12Å; V719-M752 HydrophobicContact CG1-SD 3.82Å |
| 720 | A | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -123.7 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L631 P634 E635 G722 E723 | L631-A720 HydrophobicContact CD1-CB 4.03Å; L631-A720 HydrophobicContact CD2-CB 4.08Å; L631-A720 HydrophobicContact CG-CB 3.77Å; P634-A720 WeakPolarHBondContact O-CB 3.32Å; E635-A720 HydrophobicContact CG-CB 4.49Å; A720-G722 PolarHBondContact O-N 2.68Å; A720-E723 PolarHBondContact N-OE2 3.49Å; A720-E723 WeakPolarHBondContact O-CB 3.31Å; A720-E723 PolarHBondContact O-N 3.35Å | ||
| 721 | D | 93 | Very high | 90.2 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 31% | 0.305 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 135.5 | 169.5 | -60.3 | -25.7 | 0 | 0 | 0 | 109.7 | L631 G632 E723 S746 V747 | L631-D721 VanDerWaalsContact CD1-O 3.3Å; L631-D721 WeakPolarHBondContact CD1-O 3.46Å; G632-D721 PolarHBondContact N-O 3.01Å; D721-E723 VanDerWaalsContact C-N 3.31Å; D721-S746 WeakPolarHBondContact OD1-CA 3.34Å; D721-V747 PolarHBondContact OD1-N 3.45Å |
| 722 | G | 90.4 | Very high | 89.5 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A720 R724 V744 | A720-G722 PolarHBondContact O-N 2.68Å; G722-R724 PolarHBondContact O-N 3.28Å; G722-V744 VanDerWaalsContact CA-O 3.22Å; G722-V744 WeakPolarHBondContact CA-O 3.37Å; G722-V744 PolarHBondContact N-O 2.77Å |
| 723 | E | 93.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -60 | 136.2 | -178.3 | -162.4 | 75.9 | -132.6 | 0 | 0 | 111.7 | R622 L631 V719 A720 D721 L725 Q743 V744 W781 | R622-E723 IonicContact CZ-OE1 3.1Å; R622-E723 IonicContact CZ-OE2 3.35Å; R622-E723 IonicContact NE-OE1 3.06Å; R622-E723 IonicContact NE-OE2 2.86Å; R622-E723 IonicContact NH1-OE1 3.4Å; R622-E723 IonicContact NH1-OE2 2.69Å; R622-E723 IonicContact NH2-OE2 3.67Å; L631-E723 HydrophobicContact CD1-CB 4.3Å; V719-E723 HydrophobicContact CG1-CB 4.09Å; V719-E723 HydrophobicContact CG1-CG 4.28Å; A720-E723 PolarHBondContact N-OE2 3.49Å; A720-E723 WeakPolarHBondContact O-CB 3.31Å; A720-E723 PolarHBondContact O-N 3.35Å; D721-E723 VanDerWaalsContact C-N 3.31Å; E723-L725 HydrophobicContact CB-CD2 4.49Å; E723-L725 HydrophobicContact CG-CD2 3.62Å; E723-L725 HydrophobicContact CG-CG 4.27Å; E723-Q743 WeakPolarHBondContact O-CA 3.3Å; E723-V744 HydrophobicContact CB-CB 4.07Å; E723-V744 HydrophobicContact CB-CG2 3.86Å; E723-V744 PolarHBondContact O-N 3.25Å; E723-W781 VanDerWaalsContact OE1-CD1 3.31Å; E723-W781 PolarHBondContact OE1-NE1 3.27Å | ||
| 724 | R | 92 | Very high | 88.3 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.1 | 174.4 | -176.5 | 180 | -80 | -158.9 | -0.6 | 109 | G722 R741 G780 W781 | G722-R724 PolarHBondContact O-N 3.28Å; R724-R741 HydrophobicContact CG-CG 3.72Å; R724-G780 VanDerWaalsContact CD-O 3.24Å; R724-G780 WeakPolarHBondContact CD-O 3.36Å; R724-G780 VanDerWaalsContact O-CA 3.29Å; R724-G780 WeakPolarHBondContact O-CA 3.49Å; R724-G780 PolarHBondContact O-N 3.38Å; R724-W781 HydrophobicContact CB-CD2 3.85Å; R724-W781 HydrophobicContact CB-CE3 4.03Å; R724-W781 HydrophobicContact CB-CH2 3.91Å; R724-W781 HydrophobicContact CB-CZ2 3.7Å; R724-W781 HydrophobicContact CB-CZ3 4.08Å |
| 725 | L | 91.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 145.1 | -177.8 | -56.7 | -179 | 0 | 0 | 0 | 111.2 | M717 E723 R741 L742 V744 M752 L777 | M717-L725 HydrophobicContact CE-CD1 4.04Å; M717-L725 HydrophobicContact CE-CD2 3.37Å; M717-L725 HydrophobicContact CE-CG 4.34Å; M717-L725 HydrophobicContact SD-CD2 4.19Å; E723-L725 HydrophobicContact CB-CD2 4.49Å; E723-L725 HydrophobicContact CG-CD2 3.62Å; E723-L725 HydrophobicContact CG-CG 4.27Å; L725-R741 CarbonylContact O-C 3.49Å; L725-R741 WeakPolarHBondContact O-CA 3.29Å; L725-L742 HydrophobicContact CB-CB 4.32Å; L725-L742 PolarHBondContact N-O 3.04Å; L725-L742 PolarHBondContact O-N 3.33Å; L725-V744 HydrophobicContact CD1-CG2 3.73Å; L725-V744 HydrophobicContact CG-CG2 4.13Å; L725-M752 HydrophobicContact CD1-CE 3.95Å; L725-M752 HydrophobicContact CD1-SD 3.77Å; L725-L777 HydrophobicContact CD1-CD1 4.02Å |
| 726 | R | 89 | Confident | 87.4 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.2 | 173.1 | -177.4 | 166.7 | 64.2 | -119.1 | -1.8 | 109.7 | L777 E778 N779 | R726-L777 WeakPolarHBondContact O-CA 3.48Å; R726-E778 HydrophobicContact CB-CG 3.94Å; R726-E778 HydrophobicContact CG-CG 4.42Å; R726-E778 IonicContact CZ-OE1 3.66Å; R726-E778 IonicContact CZ-OE2 2.95Å; R726-E778 PolarHBondContact N-O 2.94Å; R726-E778 IonicContact NE-OE1 3.24Å; R726-E778 PolarHBondContact NE-OE1 2.88Å; R726-E778 IonicContact NH2-OE1 3.59Å; R726-E778 PolarHBondContact NH2-OE1 3.1Å; R726-E778 IonicContact NH2-OE2 3.1Å; R726-E778 PolarHBondContact NH2-OE2 2.91Å; R726-E778 PolarHBondContact O-N 3.18Å; R726-N779 PolarHBondContact NH1-O 3.39Å |
| 727 | V | 90.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.3 | 177 | 179.6 | 0 | 0 | 0 | 0 | 109 | G729 I731 V736 S737 S738 G739 D740 L742 L777 | V727-G729 WeakPolarHBondContact CG1-O 3.44Å; V727-I731 HydrophobicContact CG1-CG1 3.99Å; V727-V736 HydrophobicContact CG1-CG2 4.08Å; V727-V736 HydrophobicContact CG2-CB 4.35Å; V727-V736 HydrophobicContact CG2-CG2 4.16Å; V727-S737 WeakPolarHBondContact CB-O 3.33Å; V727-S737 WeakPolarHBondContact CG1-O 3.4Å; V727-S738 CarbonylContact O-C 3.6Å; V727-S738 WeakPolarHBondContact O-CA 3.36Å; V727-G739 PolarHBondContact O-N 3.4Å; V727-D740 HydrophobicContact CB-CB 4.33Å; V727-D740 HydrophobicContact CG2-CB 4.26Å; V727-D740 PolarHBondContact N-O 2.78Å; V727-L742 HydrophobicContact CG2-CD1 3.76Å; V727-L742 HydrophobicContact CG2-CG 3.84Å; V727-L777 HydrophobicContact CB-CD2 4.49Å; V727-L777 HydrophobicContact CG2-CD2 3.94Å |
| 728 | T | 87.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | trans | -99.2 | -17.5 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | L641 S738 K776 E778 | L641-T728 PolarHBondContact O-OG1 3.43Å; T728-S738 WeakPolarHBondContact O-CB 3.11Å; T728-S738 PolarHBondContact O-OG 3.09Å; T728-K776 PolarHBondContact N-O 3.2Å; T728-K776 PolarHBondContact OG1-O 3.37Å; T728-E778 HydrophobicContact CG2-CB 4.07Å; T728-E778 HydrophobicContact CG2-CG 3.54Å; T728-E778 WeakPolarHBondContact CG2-OE1 3.27Å | ||
| 729 | G | 83.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -159 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V727 I731 | V727-G729 WeakPolarHBondContact CG1-O 3.44Å; G729-I731 PolarHBondContact O-N 3.3Å |
| 730 | K | 82.9 | Confident | 85 | Confident | 160 Ų | 160 | 47.8 Ų | 47.8 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 125.9 | 178.4 | -78.3 | -175.9 | 177.1 | 178.3 | 0 | 110.7 | ||
| 731 | I | 84.4 | Confident | 84.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 127 | 173.8 | -57.4 | -70.7 | 0 | 0 | 0 | 108.4 | V727 G729 G733 L734 V736 L765 L775 K776 L777 | V727-I731 HydrophobicContact CG1-CG1 3.99Å; G729-I731 PolarHBondContact O-N 3.3Å; I731-G733 PolarHBondContact O-N 3.14Å; I731-L734 HydrophobicContact CB-CB 4.26Å; I731-L734 HydrophobicContact CB-CD1 4.37Å; I731-L734 HydrophobicContact CG2-CB 4.39Å; I731-L734 HydrophobicContact CG2-CD1 3.97Å; I731-L734 HydrophobicContact CG2-CG 4.36Å; I731-L734 PolarHBondContact O-N 3.31Å; I731-V736 HydrophobicContact CB-CG2 3.86Å; I731-V736 HydrophobicContact CG1-CG2 3.84Å; I731-L765 HydrophobicContact CG2-CD1 4.36Å; I731-L765 HydrophobicContact CG2-CD2 3.88Å; I731-L775 HydrophobicContact CD1-CB 4.31Å; I731-L775 HydrophobicContact CG2-CD2 4.3Å; I731-K776 HydrophobicContact CD1-CB 4.22Å; I731-L777 HydrophobicContact CD1-CD2 3.8Å; I731-L777 HydrophobicContact CD1-CG 3.96Å; I731-L777 HydrophobicContact CG1-CD2 4.34Å |
| 732 | P | 78.7 | Confident | 84.5 | Confident | 106 Ų | 106 | 48.3 Ų | 48.3 | 69% | 0.688 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.2 | 175.6 | -25.3 | 34.4 | 0 | 0 | 0 | 111.9 | L734 | P732-L734 PolarHBondContact O-N 3.4Š|
| 733 | G | 77.4 | Confident | 84.5 | Confident | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | I731 | I731-G733 PolarHBondContact O-N 3.14Š|
| 734 | L | 81.9 | Confident | 84.5 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -117.8 | 142.5 | 177.4 | -71.6 | -178.8 | 0 | 0 | 0 | 112.1 | I731 P732 V736 V754 V756 R759 A763 L765 | I731-L734 HydrophobicContact CB-CB 4.26Å; I731-L734 HydrophobicContact CB-CD1 4.37Å; I731-L734 HydrophobicContact CG2-CB 4.39Å; I731-L734 HydrophobicContact CG2-CD1 3.97Å; I731-L734 HydrophobicContact CG2-CG 4.36Å; I731-L734 PolarHBondContact O-N 3.31Å; P732-L734 PolarHBondContact O-N 3.4Å; L734-V736 HydrophobicContact CB-CG1 4.29Å; L734-V736 HydrophobicContact CB-CG2 3.71Å; L734-V736 HydrophobicContact CD1-CG2 4.41Å; L734-V736 PolarHBondContact O-N 3.12Å; L734-V754 HydrophobicContact CD1-CG2 4.32Å; L734-V756 HydrophobicContact CD2-CG2 4.15Å; L734-R759 VanDerWaalsContact CD2-NH1 3.29Å; L734-A763 HydrophobicContact CD2-CB 3.56Å; L734-L765 HydrophobicContact CD1-CD1 3.87Å; L734-L765 HydrophobicContact CD1-CD2 3.8Å; L734-L765 HydrophobicContact CD1-CG 4.18Å; L734-L765 HydrophobicContact CG-CD2 4.21Å |
| 735 | R | 81.1 | Confident | 84.4 | Confident | 258 Ų | 258 | 53.1 Ų | 53.1 | 97% | 0.974 | 30% | 0.299 | S | S | * | . | trans | -87.1 | 50.2 | 175.7 | -149.2 | 177.1 | -173.1 | 167.5 | 1.3 | 111.1 | ||||
| 736 | V | 81.7 | Confident | 84.4 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | trans | -113.7 | 147.2 | -179 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | V727 I731 L734 D740 L742 V756 | V727-V736 HydrophobicContact CG1-CG2 4.08Å; V727-V736 HydrophobicContact CG2-CB 4.35Å; V727-V736 HydrophobicContact CG2-CG2 4.16Å; I731-V736 HydrophobicContact CB-CG2 3.86Å; I731-V736 HydrophobicContact CG1-CG2 3.84Å; L734-V736 HydrophobicContact CB-CG1 4.29Å; L734-V736 HydrophobicContact CB-CG2 3.71Å; L734-V736 HydrophobicContact CD1-CG2 4.41Å; L734-V736 PolarHBondContact O-N 3.12Å; V736-D740 WeakPolarHBondContact CA-OD2 3.39Å; V736-D740 HydrophobicContact CB-CB 4.36Å; V736-L742 HydrophobicContact CG1-CD2 4.25Å; V736-V756 HydrophobicContact CG1-CG1 3.69Å; V736-V756 HydrophobicContact CG1-CG2 4.46Å | ||
| 737 | S | 78.1 | Confident | 84.6 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | trans | -114.8 | 164.5 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | V727 G739 D740 | V727-S737 WeakPolarHBondContact CB-O 3.33Å; V727-S737 WeakPolarHBondContact CG1-O 3.4Å; S737-G739 PolarHBondContact O-N 3.13Å; S737-D740 PolarHBondContact N-OD2 3.5Å; S737-D740 WeakPolarHBondContact O-CB 3.36Å; S737-D740 PolarHBondContact O-N 3.3Å; S737-D740 VanDerWaalsContact O-N 3.14Å | ||
| 738 | S | 76.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.2 | 171.7 | -171 | 0 | 0 | 0 | 0 | 110.4 | V727 T728 | V727-S738 CarbonylContact O-C 3.6Å; V727-S738 WeakPolarHBondContact O-CA 3.36Å; T728-S738 WeakPolarHBondContact O-CB 3.11Å; T728-S738 PolarHBondContact O-OG 3.09Å |
| 739 | G | 76.1 | Confident | 84.8 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -10.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R478 V727 S737 | R478-G739 PolarHBondContact NH2-O 2.84Å; V727-G739 PolarHBondContact O-N 3.4Å; S737-G739 PolarHBondContact O-N 3.13Å |
| 740 | D | 82.9 | Confident | 84.9 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | trans | -71.6 | 154.3 | 176.2 | -68.4 | -14.6 | 0 | 0 | 0 | 111.3 | V727 V736 S737 | V727-D740 HydrophobicContact CB-CB 4.33Å; V727-D740 HydrophobicContact CG2-CB 4.26Å; V727-D740 PolarHBondContact N-O 2.78Å; V736-D740 WeakPolarHBondContact CA-OD2 3.39Å; V736-D740 HydrophobicContact CB-CB 4.36Å; S737-D740 PolarHBondContact N-OD2 3.5Å; S737-D740 WeakPolarHBondContact O-CB 3.36Å; S737-D740 PolarHBondContact O-N 3.3Å; S737-D740 VanDerWaalsContact O-N 3.14Å | ||
| 741 | R | 85.5 | Confident | 85.3 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 25% | 0.249 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.4 | -178.6 | -169.8 | -179.5 | -77.9 | 164.2 | -1.2 | 110 | R724 L725 P757 E783 | R724-R741 HydrophobicContact CG-CG 3.72Å; L725-R741 CarbonylContact O-C 3.49Å; L725-R741 WeakPolarHBondContact O-CA 3.29Å; R741-P757 WeakPolarHBondContact O-CD 3.48Å; R741-P757 WeakPolarHBondContact O-CG 3.45Å; R741-E783 IonicContact NH2-OE1 3.11Å; R741-E783 PolarHBondContact NH2-OE1 2.94Å; R741-E783 VanDerWaalsContact NH2-OE1 3.12Å |
| 742 | L | 89.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.8 | 175 | -61.1 | 176.1 | 0 | 0 | 0 | 109.5 | L725 V727 V736 V756 L777 | L725-L742 HydrophobicContact CB-CB 4.32Å; L725-L742 PolarHBondContact N-O 3.04Å; L725-L742 PolarHBondContact O-N 3.33Å; V727-L742 HydrophobicContact CG2-CD1 3.76Å; V727-L742 HydrophobicContact CG2-CG 3.84Å; V736-L742 HydrophobicContact CG1-CD2 4.25Å; L742-V756 HydrophobicContact CD2-CB 4.34Å; L742-V756 HydrophobicContact CD2-CG1 4.4Å; L742-V756 HydrophobicContact CD2-CG2 3.75Å; L742-L777 HydrophobicContact CD1-CD2 3.92Å |
| 743 | Q | 90.4 | Very high | 86.4 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.7 | 167.4 | -95.4 | -170.6 | -25.9 | 0 | 0 | 110.1 | E723 V754 V755 | E723-Q743 WeakPolarHBondContact O-CA 3.3Å; Q743-V754 CarbonylContact O-C 3.46Å; Q743-V754 VanDerWaalsContact O-CA 3.25Å; Q743-V754 WeakPolarHBondContact O-CA 3.21Å; Q743-V755 HydrophobicContact CB-CB 4.4Å; Q743-V755 PolarHBondContact N-O 3.49Å; Q743-V755 PolarHBondContact O-N 3.43Å |
| 744 | V | 93.1 | Very high | 87 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.6 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | V719 G722 E723 L725 V747 M752 V754 | V719-V744 HydrophobicContact CG1-CG1 4.4Å; V719-V744 HydrophobicContact CG1-CG2 4Å; G722-V744 VanDerWaalsContact CA-O 3.22Å; G722-V744 WeakPolarHBondContact CA-O 3.37Å; G722-V744 PolarHBondContact N-O 2.77Å; E723-V744 HydrophobicContact CB-CB 4.07Å; E723-V744 HydrophobicContact CB-CG2 3.86Å; E723-V744 PolarHBondContact O-N 3.25Å; L725-V744 HydrophobicContact CD1-CG2 3.73Å; L725-V744 HydrophobicContact CG-CG2 4.13Å; V744-V747 HydrophobicContact CG1-CB 4.04Å; V744-M752 HydrophobicContact CB-CG 4.45Å; V744-M752 HydrophobicContact CB-SD 4.47Å; V744-M752 HydrophobicContact CG1-CG 3.7Å; V744-M752 HydrophobicContact CG1-SD 4.19Å; V744-M752 HydrophobicContact CG2-CG 3.99Å; V744-M752 HydrophobicContact CG2-SD 3.44Å; V744-M752 WeakPolarHBondContact CG2-SD 3.31Å; V744-V754 HydrophobicContact CG2-CG1 4.33Å |
| 745 | A | 90.7 | Very high | 87.4 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T753 V755 | A745-T753 HydrophobicContact CB-CG2 4.37Å; A745-T753 PolarHBondContact N-O 3.32Å; A745-V755 HydrophobicContact CB-CG2 4.19Å |
| 746 | S | 92 | Very high | 87.6 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 141.8 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | D721 T753 | D721-S746 WeakPolarHBondContact OD1-CA 3.34Å; S746-T753 PolarHBondContact O-N 2.88Å; S746-T753 WeakPolarHBondContact OG-CB 3.2Å; S746-T753 PolarHBondContact OG-OG1 2.89Å; S746-T753 VanDerWaalsContact OG-OG1 3.14Å |
| 747 | V | 93 | Very high | 87.4 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.3 | 173.7 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | V636 V719 D721 V744 M752 V767 | V636-V747 HydrophobicContact CB-CG2 3.98Å; V636-V747 HydrophobicContact CG2-CG1 4.19Å; V636-V747 HydrophobicContact CG2-CG2 4.08Å; V719-V747 HydrophobicContact CB-CG2 4.37Å; V719-V747 HydrophobicContact CG1-CB 4.37Å; V719-V747 HydrophobicContact CG1-CG1 4.45Å; V719-V747 HydrophobicContact CG1-CG2 4.12Å; D721-V747 PolarHBondContact OD1-N 3.45Å; V744-V747 HydrophobicContact CG1-CB 4.04Å; V747-M752 HydrophobicContact CB-CG 4.43Å; V747-M752 HydrophobicContact CG2-CB 4.2Å; V747-M752 HydrophobicContact CG2-CG 4.24Å; V747-V767 HydrophobicContact CG2-CG2 4.23Å |
| 748 | S | 92.1 | Very high | 87.4 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | trans | -127.8 | 174.1 | 168.2 | 73.9 | 0 | 0 | 0 | 0 | 110.2 | D750 A751 | S748-D750 PolarHBondContact O-N 3.47Å; S748-D750 PolarHBondContact OG-N 2.88Å; S748-A751 PolarHBondContact N-O 2.82Å; S748-A751 PolarHBondContact OG-N 2.77Å; S748-A751 PolarHBondContact OG-O 3.46Å | ||
| 749 | E | 88.4 | Confident | 87.5 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -59.2 | -26.7 | 176 | -67.3 | -64.9 | 155.7 | 0 | 0 | 113.1 | ||
| 750 | D | 86.6 | Confident | 87.5 | Confident | 135 Ų | 135 | 59.5 Ų | 59.5 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -96.9 | -37.6 | -176.8 | -59.4 | -45.5 | 0 | 0 | 0 | 113 | S748 V767 | S748-D750 PolarHBondContact O-N 3.47Å; S748-D750 PolarHBondContact OG-N 2.88Å; D750-V767 PolarHBondContact O-N 2.93Å; D750-V767 VanDerWaalsContact O-N 3.12Å |
| 751 | A | 91.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 149 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S748 T764 L765 | S748-A751 PolarHBondContact N-O 2.82Å; S748-A751 PolarHBondContact OG-N 2.77Å; S748-A751 PolarHBondContact OG-O 3.46Å; A751-T764 HydrophobicContact CB-CG2 3.77Å; A751-L765 WeakPolarHBondContact CA-O 3.49Å |
| 752 | M | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.4 | 177.1 | -176.9 | -179.9 | 58.6 | 0 | 0 | 109.7 | V719 L725 V744 V747 V754 L765 V767 L775 L777 | V719-M752 HydrophobicContact CG1-SD 3.82Å; L725-M752 HydrophobicContact CD1-CE 3.95Å; L725-M752 HydrophobicContact CD1-SD 3.77Å; V744-M752 HydrophobicContact CB-CG 4.45Å; V744-M752 HydrophobicContact CB-SD 4.47Å; V744-M752 HydrophobicContact CG1-CG 3.7Å; V744-M752 HydrophobicContact CG1-SD 4.19Å; V744-M752 HydrophobicContact CG2-CG 3.99Å; V744-M752 HydrophobicContact CG2-SD 3.44Å; V744-M752 WeakPolarHBondContact CG2-SD 3.31Å; V747-M752 HydrophobicContact CB-CG 4.43Å; V747-M752 HydrophobicContact CG2-CB 4.2Å; V747-M752 HydrophobicContact CG2-CG 4.24Å; M752-V754 HydrophobicContact CE-CG1 3.68Å; M752-V754 HydrophobicContact CG-CG1 3.93Å; M752-V754 HydrophobicContact SD-CG1 4.07Å; M752-L765 HydrophobicContact CE-CB 4.24Å; M752-L765 HydrophobicContact CE-CD1 3.98Å; M752-L765 PolarHBondContact N-O 3.05Å; M752-L765 PolarHBondContact O-N 2.86Å; M752-V767 HydrophobicContact CB-CG2 3.72Å; M752-L775 HydrophobicContact CE-CD1 4.24Å; M752-L777 HydrophobicContact CE-CD1 4.08Å |
| 753 | T | 92.8 | Very high | 87.4 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.6 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | A745 S746 P762 A763 | A745-T753 HydrophobicContact CB-CG2 4.37Å; A745-T753 PolarHBondContact N-O 3.32Å; S746-T753 PolarHBondContact O-N 2.88Å; S746-T753 WeakPolarHBondContact OG-CB 3.2Å; S746-T753 PolarHBondContact OG-OG1 2.89Å; S746-T753 VanDerWaalsContact OG-OG1 3.14Å; T753-P762 HydrophobicContact CG2-CB 3.51Å; T753-A763 CarbonylContact C-O 3.55Å; T753-A763 WeakPolarHBondContact CA-O 3.13Å |
| 754 | V | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.3 | -178.1 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | L734 Q743 V744 M752 P762 A763 L765 | L734-V754 HydrophobicContact CD1-CG2 4.32Å; Q743-V754 CarbonylContact O-C 3.46Å; Q743-V754 VanDerWaalsContact O-CA 3.25Å; Q743-V754 WeakPolarHBondContact O-CA 3.21Å; V744-V754 HydrophobicContact CG2-CG1 4.33Å; M752-V754 HydrophobicContact CE-CG1 3.68Å; M752-V754 HydrophobicContact CG-CG1 3.93Å; M752-V754 HydrophobicContact SD-CG1 4.07Å; V754-P762 WeakPolarHBondContact O-CA 3.39Å; V754-A763 HydrophobicContact CG2-CB 4.13Å; V754-A763 WeakPolarHBondContact CG2-O 3.32Å; V754-A763 PolarHBondContact N-O 2.81Å; V754-A763 PolarHBondContact O-N 3.39Å; V754-L765 HydrophobicContact CG1-CD1 4.14Å; V754-L765 HydrophobicContact CG2-CD1 3.8Å; V754-L765 HydrophobicContact CG2-CG 4.1Å |
| 755 | V | 90 | Very high | 87.2 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.2 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | Q743 A745 | Q743-V755 HydrophobicContact CB-CB 4.4Å; Q743-V755 PolarHBondContact N-O 3.49Å; Q743-V755 PolarHBondContact O-N 3.43Å; A745-V755 HydrophobicContact CB-CG2 4.19Å |
| 756 | V | 85.2 | Confident | 87.2 | Confident | 19 Ų | 19 | 65 Ų | 65 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 127.1 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | L734 V736 L742 G758 R759 | L734-V756 HydrophobicContact CD2-CG2 4.15Å; V736-V756 HydrophobicContact CG1-CG1 3.69Å; V736-V756 HydrophobicContact CG1-CG2 4.46Å; L742-V756 HydrophobicContact CD2-CB 4.34Å; L742-V756 HydrophobicContact CD2-CG1 4.4Å; L742-V756 HydrophobicContact CD2-CG2 3.75Å; V756-G758 PolarHBondContact O-N 2.73Å; V756-R759 HydrophobicContact CB-CB 3.95Å; V756-R759 WeakPolarHBondContact O-CB 3.32Å; V756-R759 PolarHBondContact O-N 2.84Å |
| 757 | P | 77.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 125.8 | 175.3 | -25.5 | 33.7 | 0 | 0 | 0 | 111.5 | R741 | R741-P757 WeakPolarHBondContact O-CD 3.48Å; R741-P757 WeakPolarHBondContact O-CG 3.45Å |
| 758 | G | 78 | Confident | 87 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 98% | 0.979 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 0.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V756 | V756-G758 PolarHBondContact O-N 2.73Š|
| 759 | R | 78.6 | Confident | 86.8 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | trans | -105.7 | 126.9 | 171.7 | -169.6 | -178.1 | 172.9 | 159.3 | 1.6 | 109.7 | L734 V756 E761 | L734-R759 VanDerWaalsContact CD2-NH1 3.29Å; V756-R759 HydrophobicContact CB-CB 3.95Å; V756-R759 WeakPolarHBondContact O-CB 3.32Å; V756-R759 PolarHBondContact O-N 2.84Å; R759-E761 VanDerWaalsContact CD-O 3.31Å; R759-E761 WeakPolarHBondContact CD-O 3.15Å; R759-E761 WeakPolarHBondContact CG-O 3.27Å; R759-E761 PolarHBondContact NE-O 2.94Å; R759-E761 VanDerWaalsContact NE-O 3.1Å | ||
| 760 | A | 75.9 | Confident | 86.9 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 90% | 0.901 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -71.5 | -36.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 761 | E | 82.4 | Confident | 87.1 | Confident | 144 Ų | 144 | 57 Ų | 57 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -102 | 130.5 | -176 | -149 | 172.5 | -155 | 0 | 0 | 110.8 | R759 | R759-E761 VanDerWaalsContact CD-O 3.31Å; R759-E761 WeakPolarHBondContact CD-O 3.15Å; R759-E761 WeakPolarHBondContact CG-O 3.27Å; R759-E761 PolarHBondContact NE-O 2.94Å; R759-E761 VanDerWaalsContact NE-O 3.1Å |
| 762 | P | 85.6 | Confident | 87.1 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | trans | -58.6 | 151.7 | 175.4 | -20.3 | 31 | 0 | 0 | 0 | 111.9 | T753 V754 | T753-P762 HydrophobicContact CG2-CB 3.51Å; V754-P762 WeakPolarHBondContact O-CA 3.39Å | ||
| 763 | A | 87.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | L734 T753 V754 | L734-A763 HydrophobicContact CD2-CB 3.56Å; T753-A763 CarbonylContact C-O 3.55Å; T753-A763 WeakPolarHBondContact CA-O 3.13Å; V754-A763 HydrophobicContact CG2-CB 4.13Å; V754-A763 WeakPolarHBondContact CG2-O 3.32Å; V754-A763 PolarHBondContact N-O 2.81Å; V754-A763 PolarHBondContact O-N 3.39Å |
| 764 | T | 90.1 | Very high | 86.8 | Confident | 101 Ų | 101 | 60 Ų | 60 | 62% | 0.62 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128 | 176.4 | -49 | 0 | 0 | 0 | 0 | 110 | A751 | A751-T764 HydrophobicContact CB-CG2 3.77Å |
| 765 | L | 90.5 | Very high | 86.8 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.6 | 175.6 | -66.1 | 178.3 | 0 | 0 | 0 | 109.9 | I731 L734 A751 M752 V754 L775 | I731-L765 HydrophobicContact CG2-CD1 4.36Å; I731-L765 HydrophobicContact CG2-CD2 3.88Å; L734-L765 HydrophobicContact CD1-CD1 3.87Å; L734-L765 HydrophobicContact CD1-CD2 3.8Å; L734-L765 HydrophobicContact CD1-CG 4.18Å; L734-L765 HydrophobicContact CG-CD2 4.21Å; A751-L765 WeakPolarHBondContact CA-O 3.49Å; M752-L765 HydrophobicContact CE-CB 4.24Å; M752-L765 HydrophobicContact CE-CD1 3.98Å; M752-L765 PolarHBondContact N-O 3.05Å; M752-L765 PolarHBondContact O-N 2.86Å; V754-L765 HydrophobicContact CG1-CD1 4.14Å; V754-L765 HydrophobicContact CG2-CD1 3.8Å; V754-L765 HydrophobicContact CG2-CG 4.1Å; L765-L775 HydrophobicContact CB-CD1 4.06Å; L765-L775 HydrophobicContact CD1-CD1 4.19Å |
| 766 | P | 90.3 | Very high | 87 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 142.5 | 177.4 | 29.6 | -34 | 0 | 0 | 0 | 111.2 | ||
| 767 | V | 90.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | trans | -101.9 | 130.3 | 168.5 | 177.5 | 0 | 0 | 0 | 0 | 108 | V636 M638 V747 D750 M752 | V636-V767 HydrophobicContact CG1-CG1 3.77Å; M638-V767 HydrophobicContact CB-CG1 3.96Å; M638-V767 HydrophobicContact CG-CG1 3.91Å; M638-V767 HydrophobicContact SD-CB 4.28Å; M638-V767 HydrophobicContact SD-CG1 4.12Å; M638-V767 HydrophobicContact SD-CG2 4.2Å; V747-V767 HydrophobicContact CG2-CG2 4.23Å; D750-V767 PolarHBondContact O-N 2.93Å; D750-V767 VanDerWaalsContact O-N 3.12Å; M752-V767 HydrophobicContact CB-CG2 3.72Å | ||
| 768 | S | 89.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | trans | -152.2 | 151.7 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | M638 T639 S770 T773 | M638-S768 VanDerWaalsContact CG-O 3.3Å; M638-S768 WeakPolarHBondContact CG-O 3.27Å; T639-S768 PolarHBondContact N-O 3.07Å; S768-S770 PolarHBondContact OG-N 3.3Å; S768-T773 VanDerWaalsContact CB-OG1 3.3Å; S768-T773 WeakPolarHBondContact CB-OG1 3.5Å; S768-T773 PolarHBondContact OG-OG1 3.25Å | ||
| 769 | D | 88.9 | Confident | 88.3 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -91.5 | -7.8 | 173.5 | 65.7 | -21.9 | 0 | 0 | 0 | 113.5 | T639 | T639-D769 WeakPolarHBondContact OG1-CA 3.41Å; T639-D769 PolarHBondContact OG1-O 3.35Å |
| 770 | S | 90.7 | Very high | 88.7 | Confident | 36 Ų | 36 | 47 Ų | 47 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | trans | -88.1 | 135.2 | -177.5 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | S768 F772 T773 A774 | S768-S770 PolarHBondContact OG-N 3.3Å; S770-F772 PolarHBondContact O-N 3.43Å; S770-F772 PolarHBondContact OG-N 3.49Å; S770-T773 PolarHBondContact O-N 3.41Å; S770-T773 PolarHBondContact O-OG1 2.81Å; S770-A774 WeakPolarHBondContact O-CB 3.48Å; S770-A774 PolarHBondContact O-N 3.12Å | ||
| 771 | P | 90.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 42 Ų | 42 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -22.6 | 175.7 | 25.1 | -32.9 | 0 | 0 | 0 | 113.2 | V662 R675 V677 | V662-P771 HydrophobicContact CG2-CB 3.64Å; R675-P771 WeakPolarHBondContact CD-O 3.36Å; R675-P771 PolarHBondContact NH1-O 2.87Å; V677-P771 HydrophobicContact CG2-CB 4.28Å; V677-P771 HydrophobicContact CG2-CG 3.93Å |
| 772 | F | 90.9 | Very high | 90 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 20% | 0.197 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.6 | -178.5 | -64.1 | -73 | 0 | 0 | 0 | 113.4 | R675 V677 N692 A693 S770 | R675-F772 HydrophobicContact CG-CD1 4.45Å; R675-F772 PolarHBondContact NH1-O 3Å; R675-F772 VanDerWaalsContact NH1-O 3.07Å; V677-F772 HydrophobicContact CB-CZ 4.16Å; V677-F772 HydrophobicContact CG2-CD1 4.41Å; V677-F772 HydrophobicContact CG2-CE1 3.68Å; V677-F772 HydrophobicContact CG2-CE2 4Å; V677-F772 HydrophobicContact CG2-CZ 3.45Å; V677-F772 VanDerWaalsContact CG2-CZ 3.45Å; N692-F772 VanDerWaalsContact C-CE1 3.45Å; N692-F772 WeakPolarHBondContact O-CZ 3.34Å; A693-F772 HydrophobicContact CB-CB 4.33Å; A693-F772 HydrophobicContact CB-CD1 3.87Å; A693-F772 HydrophobicContact CB-CE1 4.28Å; A693-F772 HydrophobicContact CB-CG 4Å; S770-F772 PolarHBondContact O-N 3.43Å; S770-F772 PolarHBondContact OG-N 3.49Å |
| 773 | T | 89 | Confident | 90.1 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 46% | 0.46 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -3.2 | 177.7 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | S768 S770 | S768-T773 VanDerWaalsContact CB-OG1 3.3Å; S768-T773 WeakPolarHBondContact CB-OG1 3.5Å; S768-T773 PolarHBondContact OG-OG1 3.25Å; S770-T773 PolarHBondContact O-N 3.41Å; S770-T773 PolarHBondContact O-OG1 2.81Å |
| 774 | A | 90.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | trans | -57.3 | 138.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T639 L641 R675 S770 | T639-A774 HydrophobicContact CG2-CB 4.35Å; T639-A774 VanDerWaalsContact O-CB 3.25Å; T639-A774 WeakPolarHBondContact O-CB 3.45Å; L641-A774 HydrophobicContact CD1-CB 4.26Å; L641-A774 HydrophobicContact CD2-CB 3.96Å; L641-A774 HydrophobicContact CG-CB 3.71Å; R675-A774 PolarHBondContact NH1-O 2.85Å; R675-A774 PolarHBondContact NH2-O 3.39Å; S770-A774 WeakPolarHBondContact O-CB 3.48Å; S770-A774 PolarHBondContact O-N 3.12Å | ||
| 775 | L | 92.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -85.2 | 149.8 | 179.4 | -61 | 175.3 | 0 | 0 | 0 | 111 | M638 A640 L641 I731 M752 L765 L777 | M638-L775 HydrophobicContact CE-CB 4.49Å; M638-L775 HydrophobicContact CE-CD1 4.05Å; M638-L775 HydrophobicContact SD-CD1 4.02Å; A640-L775 CarbonylContact C-O 3.53Å; A640-L775 WeakPolarHBondContact CA-O 3.49Å; L641-L775 PolarHBondContact N-O 2.89Å; I731-L775 HydrophobicContact CD1-CB 4.31Å; I731-L775 HydrophobicContact CG2-CD2 4.3Å; M752-L775 HydrophobicContact CE-CD1 4.24Å; L765-L775 HydrophobicContact CB-CD1 4.06Å; L765-L775 HydrophobicContact CD1-CD1 4.19Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 HydrophobicContact CB-CD1 3.78Å; L775-L777 HydrophobicContact CB-CG 3.92Å; L775-L777 HydrophobicContact CD1-CD1 3.79Å; L775-L777 HydrophobicContact CG-CD1 4.45Å; L775-L777 PolarHBondContact O-N 2.91Å |
| 776 | K | 92.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -86.9 | 68.4 | 177.9 | -63 | 174.6 | -176.7 | 174.1 | 0 | 110.1 | L641 E664 F712 T728 I731 | L641-K776 HydrophobicContact CB-CG 4.39Å; E664-K776 VanDerWaalsContact OE1-CE 3.31Å; E664-K776 WeakPolarHBondContact OE1-CE 3.44Å; E664-K776 IonicContact OE1-NZ 2.84Å; E664-K776 PolarHBondContact OE1-NZ 3.13Å; E664-K776 VanDerWaalsContact OE2-CE 3.23Å; E664-K776 WeakPolarHBondContact OE2-CE 3.14Å; E664-K776 IonicContact OE2-NZ 3.93Å; E664-K776 PolarHBondContact OE2-NZ 3.09Å; F712-K776 HydrophobicContact CE1-CD 4.35Å; F712-K776 HydrophobicContact CZ-CD 4.28Å; T728-K776 PolarHBondContact N-O 3.2Å; T728-K776 PolarHBondContact OG1-O 3.37Å; I731-K776 HydrophobicContact CD1-CB 4.22Å |
| 777 | L | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.2 | -174.6 | -62.2 | 174.4 | 0 | 0 | 0 | 110.3 | M638 A640 L725 R726 V727 I731 L742 M752 L775 | M638-L777 HydrophobicContact CE-CD1 4.39Å; A640-L777 WeakPolarHBondContact CB-O 3.42Å; L725-L777 HydrophobicContact CD1-CD1 4.02Å; R726-L777 WeakPolarHBondContact O-CA 3.48Å; V727-L777 HydrophobicContact CB-CD2 4.49Å; V727-L777 HydrophobicContact CG2-CD2 3.94Å; I731-L777 HydrophobicContact CD1-CD2 3.8Å; I731-L777 HydrophobicContact CD1-CG 3.96Å; I731-L777 HydrophobicContact CG1-CD2 4.34Å; L742-L777 HydrophobicContact CD1-CD2 3.92Å; M752-L777 HydrophobicContact CE-CD1 4.08Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 HydrophobicContact CB-CD1 3.78Å; L775-L777 HydrophobicContact CB-CG 3.92Å; L775-L777 HydrophobicContact CD1-CD1 3.79Å; L775-L777 HydrophobicContact CG-CD1 4.45Å; L775-L777 PolarHBondContact O-N 2.91Å |
| 778 | E | 89.5 | Confident | 88.8 | Confident | 57 Ų | 57 | 30.6 Ų | 30.6 | 27% | 0.266 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 175.1 | 168.7 | 67.2 | -175.4 | 158 | 0 | 0 | 109.7 | R726 T728 G780 | R726-E778 HydrophobicContact CB-CG 3.94Å; R726-E778 HydrophobicContact CG-CG 4.42Å; R726-E778 IonicContact CZ-OE1 3.66Å; R726-E778 IonicContact CZ-OE2 2.95Å; R726-E778 PolarHBondContact N-O 2.94Å; R726-E778 IonicContact NE-OE1 3.24Å; R726-E778 PolarHBondContact NE-OE1 2.88Å; R726-E778 IonicContact NH2-OE1 3.59Å; R726-E778 PolarHBondContact NH2-OE1 3.1Å; R726-E778 IonicContact NH2-OE2 3.1Å; R726-E778 PolarHBondContact NH2-OE2 2.91Å; R726-E778 PolarHBondContact O-N 3.18Å; T728-E778 HydrophobicContact CG2-CB 4.07Å; T728-E778 HydrophobicContact CG2-CG 3.54Å; T728-E778 WeakPolarHBondContact CG2-OE1 3.27Å; E778-G780 PolarHBondContact O-N 3.39Å |
| 779 | N | 86.6 | Confident | 88.5 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.9 | 176.6 | -179.8 | 20.1 | 0 | 0 | 0 | 112 | T618 R726 W781 | T618-N779 WeakPolarHBondContact CB-ND2 3.49Å; T618-N779 WeakPolarHBondContact CG2-ND2 3.42Å; T618-N779 PolarHBondContact OG1-ND2 2.72Å; R726-N779 PolarHBondContact NH1-O 3.39Å; N779-W781 PolarHBondContact OD1-N 2.82Å |
| 780 | G | 88.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -103.6 | 3.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R724 E778 | R724-G780 VanDerWaalsContact CD-O 3.24Å; R724-G780 WeakPolarHBondContact CD-O 3.36Å; R724-G780 VanDerWaalsContact O-CA 3.29Å; R724-G780 WeakPolarHBondContact O-CA 3.49Å; R724-G780 PolarHBondContact O-N 3.38Å; E778-G780 PolarHBondContact O-N 3.39Å | ||
| 781 | W | 91.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -76.4 | -46.8 | 179.1 | -65.2 | 114.9 | 0 | 0 | 0 | 113.7 | F594 V598 I621 L625 L631 E723 R724 N779 | F594-W781 AromaticContact CE1-CE3 3.88Å; F594-W781 HydrophobicContact CE1-CE3 3.88Å; F594-W781 HydrophobicContact CE1-CZ3 4.37Å; F594-W781 HydrophobicContact CZ-CE3 4.06Å; V598-W781 HydrophobicContact CG1-CZ3 4.27Å; V598-W781 HydrophobicContact CG2-CZ3 4.49Å; I621-W781 HydrophobicContact CG2-CB 4.39Å; I621-W781 HydrophobicContact CG2-CG 4.45Å; L625-W781 HydrophobicContact CD1-CD2 4.02Å; L625-W781 HydrophobicContact CD1-CE3 3.96Å; L625-W781 HydrophobicContact CD1-CH2 3.73Å; L625-W781 HydrophobicContact CD1-CZ2 3.79Å; L625-W781 HydrophobicContact CD1-CZ3 3.81Å; L631-W781 HydrophobicContact CD1-CZ2 4.21Å; E723-W781 VanDerWaalsContact OE1-CD1 3.31Å; E723-W781 PolarHBondContact OE1-NE1 3.27Å; R724-W781 HydrophobicContact CB-CD2 3.85Å; R724-W781 HydrophobicContact CB-CE3 4.03Å; R724-W781 HydrophobicContact CB-CH2 3.91Å; R724-W781 HydrophobicContact CB-CZ2 3.7Å; R724-W781 HydrophobicContact CB-CZ3 4.08Å; N779-W781 PolarHBondContact OD1-N 2.82Å |
| 782 | V | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.2 | -175.9 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | A606 V608 Q614 L617 I621 | A606-V782 HydrophobicContact CB-CG2 4.28Å; A606-V782 WeakPolarHBondContact O-CA 3.41Å; V608-V782 HydrophobicContact CG2-CG1 3.73Å; Q614-V782 HydrophobicContact CB-CG1 4.5Å; Q614-V782 HydrophobicContact CG-CB 3.96Å; Q614-V782 HydrophobicContact CG-CG1 3.84Å; Q614-V782 PolarHBondContact NE2-O 3.35Å; L617-V782 HydrophobicContact CB-CG2 4.44Å; L617-V782 HydrophobicContact CD2-CG1 4.08Å; L617-V782 HydrophobicContact CD2-CG2 4.17Å; L617-V782 HydrophobicContact CG-CG2 4.15Å; I621-V782 HydrophobicContact CD1-CG2 3.7Å |
| 783 | E | 89.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 169.6 | -179.4 | -51.1 | -171.7 | 176.2 | 0 | 0 | 111.6 | R478 V605 A606 Q607 V608 R741 H787 S788 | R478-E783 IonicContact NH1-OE2 2.73Å; V605-E783 HydrophobicContact CG1-CG 4.37Å; A606-E783 PolarHBondContact O-N 3.34Å; Q607-E783 VanDerWaalsContact CA-O 3.23Å; Q607-E783 WeakPolarHBondContact CA-O 3.3Å; Q607-E783 HydrophobicContact CG-CB 4.37Å; V608-E783 PolarHBondContact N-O 3.37Å; V608-E783 VanDerWaalsContact N-O 3.09Å; R741-E783 IonicContact NH2-OE1 3.11Å; R741-E783 PolarHBondContact NH2-OE1 2.94Å; R741-E783 VanDerWaalsContact NH2-OE1 3.12Å; E783-H787 HydrophobicContact CB-CB 4.06Å; E783-H787 IonicContact OE2-CE1 3.68Å; E783-H787 IonicContact OE2-CG 3.8Å; E783-H787 IonicContact OE2-ND1 3.35Å; E783-H787 PolarHBondContact OE2-ND1 3.07Å; E783-S788 VanDerWaalsContact CD-OG 3.3Å; E783-S788 PolarHBondContact OE1-OG 2.83Å; E783-S788 PolarHBondContact OE2-OG 3.31Å |
| 784 | T | 86.8 | Confident | 87.5 | Confident | 68 Ų | 68 | 25 Ų | 25 | 42% | 0.417 | 15% | 0.145 | S | C | . | . | trans | -76.9 | 154.3 | 171.2 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | G786 H787 | T784-G786 PolarHBondContact O-N 3.33Å; T784-H787 WeakPolarHBondContact O-CB 3.28Å; T784-H787 PolarHBondContact O-N 3.14Å | ||
| 785 | P | 85.7 | Confident | 87.7 | Confident | 41 Ų | 41 | 24.7 Ų | 24.7 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.5 | -177.4 | -27.5 | 37.3 | 0 | 0 | 0 | 112 | V608 H787 T808 L812 | V608-P785 WeakPolarHBondContact O-CD 3.14Å; P785-H787 VanDerWaalsContact C-N 3.31Å; P785-H787 PolarHBondContact O-N 3.28Å; P785-T808 HydrophobicContact CB-CG2 4.33Å; P785-L812 HydrophobicContact CB-CD2 3.94Å |
| 786 | G | 80.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 6.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T784 S788 G811 R814 S815 | T784-G786 PolarHBondContact O-N 3.33Å; G786-S788 VanDerWaalsContact C-N 3.29Å; G786-S788 PolarHBondContact O-N 3.49Å; G786-G811 WeakPolarHBondContact CA-O 3.32Å; G786-R814 PolarHBondContact O-NE 3.39Å; G786-R814 PolarHBondContact O-NH2 3.09Å; G786-S815 WeakPolarHBondContact CA-OG 3.37Å |
| 787 | H | 83.7 | Confident | 87.9 | Confident | 64 Ų | 64 | 23.4 Ų | 23.4 | 30% | 0.296 | 14% | 0.137 | S | C | . | . | trans | -64.2 | -31 | 179 | -179.8 | -94.4 | 0 | 0 | 0 | 113.7 | R478 E783 T784 P785 | R478-H787 WeakPolarHBondContact CD-O 3.43Å; R478-H787 PolarHBondContact NH1-ND1 3.41Å; R478-H787 PolarHBondContact NH1-O 3.14Å; E783-H787 HydrophobicContact CB-CB 4.06Å; E783-H787 IonicContact OE2-CE1 3.68Å; E783-H787 IonicContact OE2-CG 3.8Å; E783-H787 IonicContact OE2-ND1 3.35Å; E783-H787 PolarHBondContact OE2-ND1 3.07Å; T784-H787 WeakPolarHBondContact O-CB 3.28Å; T784-H787 PolarHBondContact O-N 3.14Å; P785-H787 VanDerWaalsContact C-N 3.31Å; P785-H787 PolarHBondContact O-N 3.28Å | ||
| 788 | S | 84.2 | Confident | 88 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | trans | -88.5 | 157.8 | 176 | -80.3 | 0 | 0 | 0 | 0 | 113.6 | R478 E783 G786 S815 | R478-S788 VanDerWaalsContact NH1-CA 3.26Å; R478-S788 PolarHBondContact NH1-OG 3.35Å; E783-S788 VanDerWaalsContact CD-OG 3.3Å; E783-S788 PolarHBondContact OE1-OG 2.83Å; E783-S788 PolarHBondContact OE2-OG 3.31Å; G786-S788 VanDerWaalsContact C-N 3.29Å; G786-S788 PolarHBondContact O-N 3.49Å; S788-S815 PolarHBondContact N-OG 2.93Å; S788-S815 VanDerWaalsContact O-CA 3.31Å; S788-S815 WeakPolarHBondContact O-CA 3.44Å; S788-S815 PolarHBondContact O-OG 3.12Å | ||
| 789 | V | 83.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 21 Ų | 21 | 19% | 0.188 | 13% | 0.126 | C | C | . | . | trans | -132.8 | 112.5 | 174 | -171 | 0 | 0 | 0 | 0 | 107.3 | A449 R478 N482 R814 | A449-V789 HydrophobicContact CB-CG1 3.65Å; R478-V789 HydrophobicContact CB-CG2 3.93Å; R478-V789 HydrophobicContact CG-CG2 4.28Å; N482-V789 HydrophobicContact CB-CG1 3.76Å; V789-R814 WeakPolarHBondContact CA-O 3.4Å; V789-R814 HydrophobicContact CG1-CG 4.39Å; V789-R814 HydrophobicContact CG2-CG 4.02Å | ||
| 790 | S | 83.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | trans | -150.9 | 151.7 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | E603 S792 A793 R814 | E603-S790 PolarHBondContact OE2-OG 3.41Å; S790-S792 PolarHBondContact OG-N 3.31Å; S790-A793 WeakPolarHBondContact OG-CB 3.49Å; S790-A793 PolarHBondContact OG-N 2.81Å; S790-R814 PolarHBondContact N-O 3.36Å | ||
| 791 | D | 79 | Confident | 86.9 | Confident | 62 Ų | 62 | 22.3 Ų | 22.3 | 33% | 0.332 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -91.7 | -19.3 | 178.8 | -58.5 | -46.2 | 0 | 0 | 0 | 113.5 | R453 R817 | R453-D791 IonicContact CZ-OD1 3.86Å; R453-D791 IonicContact CZ-OD2 2.66Å; R453-D791 IonicContact NH1-OD1 3.97Å; R453-D791 IonicContact NH1-OD2 3.57Å; R453-D791 PolarHBondContact NH1-OD2 3.19Å; R453-D791 VanDerWaalsContact NH1-OD2 3.08Å; R453-D791 IonicContact NH2-OD1 2.83Å; R453-D791 PolarHBondContact NH2-OD1 2.75Å; R453-D791 IonicContact NH2-OD2 3.27Å; R453-D791 PolarHBondContact NH2-OD2 2.73Å; D791-R817 WeakPolarHBondContact O-CB 3.42Å |
| 792 | S | 84.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 30.1 Ų | 30.1 | 59% | 0.594 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -128.3 | -10.5 | -168.5 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | S790 | S790-S792 PolarHBondContact OG-N 3.31Š|
| 793 | A | 88.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 149.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | E603 V605 S790 G816 R817 D818 | E603-A793 HydrophobicContact CB-CB 4Å; E603-A793 CarbonylContact O-C 3.58Å; E603-A793 WeakPolarHBondContact O-CA 3.39Å; V605-A793 HydrophobicContact CG2-CB 4.4Å; S790-A793 WeakPolarHBondContact OG-CB 3.49Å; S790-A793 PolarHBondContact OG-N 2.81Å; A793-G816 CarbonylContact O-C 3.6Å; A793-G816 WeakPolarHBondContact O-CA 3.29Å; A793-R817 PolarHBondContact O-N 3.2Å; A793-D818 PolarHBondContact O-N 3.38Å |
| 794 | T | 93.2 | Very high | 84.3 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.6 | 166.7 | -51.3 | 0 | 0 | 0 | 0 | 108.9 | E603 S604 V605 F796 D818 R820 | E603-T794 PolarHBondContact O-N 2.57Å; S604-T794 WeakPolarHBondContact CA-O 3.49Å; V605-T794 PolarHBondContact N-O 2.97Å; T794-F796 HydrophobicContact CG2-CD2 4.31Å; T794-F796 HydrophobicContact CG2-CE2 3.65Å; T794-F796 HydrophobicContact CG2-CZ 3.83Å; T794-D818 CarbonylContact C-O 3.6Å; T794-D818 WeakPolarHBondContact CA-O 3.35Å; T794-D818 HydrophobicContact CG2-CB 4.19Å; T794-R820 HydrophobicContact CG2-CG 4.4Å |
| 795 | V | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.8 | -177.5 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | V605 Q607 A797 L812 D818 V819 R820 | V605-V795 WeakPolarHBondContact O-CA 3.39Å; Q607-V795 HydrophobicContact CG-CG1 4.41Å; V795-A797 HydrophobicContact CG1-CB 4.3Å; V795-L812 HydrophobicContact CG1-CD2 4.17Å; V795-D818 PolarHBondContact N-O 2.87Å; V795-V819 HydrophobicContact CB-CG2 4.32Å; V795-V819 HydrophobicContact CG2-CG2 4.5Å; V795-R820 PolarHBondContact O-N 3.25Å |
| 796 | F | 95.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 101 | 174.2 | -64.5 | -95.6 | 0 | 0 | 0 | 108.6 | L590 D593 F594 S597 V605 A606 Q607 T794 R820 Y822 | L590-F796 HydrophobicContact CD2-CB 3.92Å; L590-F796 HydrophobicContact CG-CB 4.24Å; D593-F796 HydrophobicContact CB-CD1 4.22Å; D593-F796 HydrophobicContact CB-CE1 3.71Å; F594-F796 HydrophobicContact CB-CD1 4.41Å; F594-F796 HydrophobicContact CB-CD2 4.39Å; F594-F796 HydrophobicContact CB-CG 4.23Å; F594-F796 HydrophobicContact CD2-CB 4.48Å; F594-F796 AromaticContact CD2-CD2 3.71Å; F594-F796 HydrophobicContact CD2-CD2 3.71Å; F594-F796 HydrophobicContact CD2-CE2 4.19Å; F594-F796 HydrophobicContact CD2-CG 4.21Å; S597-F796 WeakPolarHBondContact OG-CE2 3.39Å; V605-F796 PolarHBondContact O-N 2.96Å; A606-F796 CarbonylContact C-O 3.46Å; A606-F796 VanDerWaalsContact CA-O 3.28Å; A606-F796 WeakPolarHBondContact CA-O 3.5Å; Q607-F796 PolarHBondContact N-O 2.78Å; T794-F796 HydrophobicContact CG2-CD2 4.31Å; T794-F796 HydrophobicContact CG2-CE2 3.65Å; T794-F796 HydrophobicContact CG2-CZ 3.83Å; F796-R820 HydrophobicContact CD1-CB 4.38Å; F796-Y822 HydrophobicContact CD1-CE2 4.05Å |
| 797 | A | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q607 V795 V799 L812 R820 L821 Y822 | Q607-A797 VanDerWaalsContact O-CA 3.24Å; Q607-A797 WeakPolarHBondContact O-CA 3.38Å; V795-A797 HydrophobicContact CG1-CB 4.3Å; A797-V799 HydrophobicContact CB-CG2 4.47Å; A797-L812 HydrophobicContact CB-CD1 3.66Å; A797-L812 HydrophobicContact CB-CD2 3.62Å; A797-L812 HydrophobicContact CB-CG 4.28Å; A797-R820 PolarHBondContact N-O 3.3Å; A797-L821 CarbonylContact O-C 3.44Å; A797-L821 WeakPolarHBondContact O-CA 3.31Å; A797-Y822 PolarHBondContact O-N 3.29Å |
| 798 | S | 92.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117 | 161.7 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | Q607 V608 Y822 | Q607-S798 PolarHBondContact O-N 2.85Å; V608-S798 WeakPolarHBondContact CA-O 3.43Å; S798-Y822 PolarHBondContact OG-O 2.86Å |
| 799 | V | 85.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | trans | -114.3 | 135.4 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | A797 A803 M804 T808 L812 L821 | A797-V799 HydrophobicContact CB-CG2 4.47Å; V799-A803 HydrophobicContact CG1-CB 3.64Å; V799-A803 WeakPolarHBondContact CG1-O 3.38Å; V799-M804 WeakPolarHBondContact O-CE 3.37Å; V799-T808 HydrophobicContact CG1-CG2 3.79Å; V799-T808 HydrophobicContact CG2-CG2 4.11Å; V799-L812 HydrophobicContact CG2-CD1 4.04Å; V799-L821 HydrophobicContact CG2-CD1 4.38Å | ||
| 800 | T | 81.2 | Confident | 83.1 | Confident | 38 Ų | 38 | 25.9 Ų | 25.9 | 23% | 0.233 | 15% | 0.149 | C | C | . | . | trans | -62.4 | 151.7 | 174.1 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | S609 M802 A803 M804 E1360 | S609-T800 WeakPolarHBondContact OG-CG2 3.35Å; S609-T800 PolarHBondContact OG-N 3.14Å; S609-T800 PolarHBondContact OG-OG1 3.34Å; T800-M802 PolarHBondContact O-N 2.95Å; T800-M802 VanDerWaalsContact O-N 3.1Å; T800-A803 CarbonylContact O-C 3.51Å; T800-A803 PolarHBondContact O-N 2.7Å; T800-M804 PolarHBondContact O-N 3.34Å; T800-E1360 WeakPolarHBondContact CA-OE1 3.42Å; T800-E1360 WeakPolarHBondContact CB-OE1 3.25Å | ||
| 801 | Q | 75.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.1 | 179.4 | -67.9 | -172.3 | 12.8 | 0 | 0 | 114.1 | S824 L825 K833 E1360 | Q801-S824 WeakPolarHBondContact CG-OG 3.4Å; Q801-S824 PolarHBondContact NE2-OG 2.94Å; Q801-L825 HydrophobicContact CG-CD1 3.95Å; Q801-L825 HydrophobicContact CG-CD2 4.48Å; Q801-L825 HydrophobicContact CG-CG 4.02Å; Q801-L825 VanDerWaalsContact NE2-CD2 3.26Å; Q801-K833 PolarHBondContact O-NZ 3.26Å; Q801-E1360 WeakPolarHBondContact CB-OE1 3.39Å; Q801-E1360 WeakPolarHBondContact CG-OE1 3.45Å; Q801-E1360 PolarHBondContact N-OE1 2.66Å |
| 802 | M | 69.5 | Low | 83.6 | Confident | 169 Ų | 169 | 22.4 Ų | 22.4 | 83% | 0.833 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -31.5 | 177 | -68.4 | -175.2 | 73.2 | 0 | 0 | 112.4 | T800 M804 | T800-M802 PolarHBondContact O-N 2.95Å; T800-M802 VanDerWaalsContact O-N 3.1Å; M802-M804 VanDerWaalsContact C-N 3.34Å |
| 803 | A | 72.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 19 Ų | 19 | 17% | 0.165 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -93.1 | 5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V799 T800 D805 T808 | V799-A803 HydrophobicContact CG1-CB 3.64Å; V799-A803 WeakPolarHBondContact CG1-O 3.38Å; T800-A803 CarbonylContact O-C 3.51Å; T800-A803 PolarHBondContact O-N 2.7Å; A803-D805 PolarHBondContact O-N 3.06Å; A803-T808 WeakPolarHBondContact O-CB 3.49Å; A803-T808 PolarHBondContact O-OG1 3.26Å |
| 804 | M | 77 | Confident | 83.5 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | trans | -83.9 | 82.6 | -177 | -162.9 | 175 | -70.4 | 0 | 0 | 110.1 | V799 T800 M802 L821 S823 L825 T830 K833 L834 | V799-M804 WeakPolarHBondContact O-CE 3.37Å; T800-M804 PolarHBondContact O-N 3.34Å; M802-M804 VanDerWaalsContact C-N 3.34Å; M804-L821 HydrophobicContact CE-CD2 4.43Å; M804-S823 WeakPolarHBondContact CE-OG 3.39Å; M804-L825 HydrophobicContact SD-CD1 4.23Å; M804-T830 HydrophobicContact SD-CG2 3.75Å; M804-K833 HydrophobicContact CB-CB 4.46Å; M804-K833 HydrophobicContact CB-CD 4.42Å; M804-K833 HydrophobicContact CG-CB 4.17Å; M804-K833 CarbonylContact O-C 3.55Å; M804-K833 HydrophobicContact SD-CB 4.33Å; M804-K833 HydrophobicContact SD-CD 4.41Å; M804-L834 HydrophobicContact CG-CD2 4.26Å; M804-L834 HydrophobicContact CG-CG 4.16Å | ||
| 805 | D | 75.1 | Confident | 83.3 | Confident | 22 Ų | 22 | 18.8 Ų | 18.8 | 12% | 0.118 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -138.4 | 171.2 | 180 | 62.9 | 17.3 | 0 | 0 | 0 | 111.4 | A803 A807 T808 L809 P838 | A803-D805 PolarHBondContact O-N 3.06Å; D805-A807 PolarHBondContact O-N 3.07Å; D805-A807 PolarHBondContact OD1-N 2.79Å; D805-T808 PolarHBondContact O-N 3.41Å; D805-T808 VanDerWaalsContact OD1-CB 3.26Å; D805-T808 WeakPolarHBondContact OD1-CB 3.33Å; D805-T808 PolarHBondContact OD1-N 2.9Å; D805-T808 PolarHBondContact OD1-OG1 3.23Å; D805-L809 PolarHBondContact O-N 3.25Å; D805-P838 HydrophobicContact CB-CG 4.37Å; D805-P838 WeakPolarHBondContact OD2-CB 3.46Å; D805-P838 WeakPolarHBondContact OD2-CG 3.34Å |
| 806 | N | 77.9 | Confident | 83 | Confident | 24 Ų | 24 | 19 Ų | 19 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.5 | -32 | -179.3 | -160.2 | -12.6 | 0 | 0 | 0 | 111.5 | T808 L809 N810 L834 R836 H837 | N806-T808 VanDerWaalsContact C-N 3.33Å; N806-T808 PolarHBondContact O-N 2.97Å; N806-L809 PolarHBondContact O-N 3.03Å; N806-N810 PolarHBondContact O-N 3.16Å; N806-N810 PolarHBondContact O-ND2 2.78Å; N806-N810 PolarHBondContact OD1-ND2 2.92Å; N806-L834 VanDerWaalsContact CA-O 3.24Å; N806-L834 WeakPolarHBondContact CA-O 3.31Å; N806-L834 VanDerWaalsContact CB-O 3.26Å; N806-L834 WeakPolarHBondContact CB-O 3.25Å; N806-L834 PolarHBondContact N-O 2.87Å; N806-R836 WeakPolarHBondContact CB-O 3.48Å; N806-R836 PolarHBondContact N-O 2.87Å; N806-H837 PolarHBondContact ND2-CE1 3.29Å |
| 807 | A | 78.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G545 R547 D805 N810 G811 P838 | G545-A807 VanDerWaalsContact O-CA 3.22Å; G545-A807 WeakPolarHBondContact O-CA 3.48Å; G545-A807 WeakPolarHBondContact O-CB 3.28Å; R547-A807 HydrophobicContact CB-CB 4.4Å; D805-A807 PolarHBondContact O-N 3.07Å; D805-A807 PolarHBondContact OD1-N 2.79Å; A807-N810 PolarHBondContact O-N 2.71Å; A807-G811 PolarHBondContact O-N 2.99Å; A807-P838 HydrophobicContact CB-CG 3.34Å |
| 808 | T | 80.4 | Confident | 82.1 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.2 | -37.6 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | P785 V799 A803 D805 N806 N810 G811 L812 | P785-T808 HydrophobicContact CB-CG2 4.33Å; V799-T808 HydrophobicContact CG1-CG2 3.79Å; V799-T808 HydrophobicContact CG2-CG2 4.11Å; A803-T808 WeakPolarHBondContact O-CB 3.49Å; A803-T808 PolarHBondContact O-OG1 3.26Å; D805-T808 PolarHBondContact O-N 3.41Å; D805-T808 VanDerWaalsContact OD1-CB 3.26Å; D805-T808 WeakPolarHBondContact OD1-CB 3.33Å; D805-T808 PolarHBondContact OD1-N 2.9Å; D805-T808 PolarHBondContact OD1-OG1 3.23Å; N806-T808 VanDerWaalsContact C-N 3.33Å; N806-T808 PolarHBondContact O-N 2.97Å; T808-N810 PolarHBondContact O-N 3.41Å; T808-G811 CarbonylContact O-C 3.21Å; T808-G811 WeakPolarHBondContact O-CA 3.32Å; T808-G811 PolarHBondContact O-N 2.75Å; T808-G811 VanDerWaalsContact O-N 3.09Å; T808-L812 WeakPolarHBondContact O-CG 3.18Å; T808-L812 PolarHBondContact O-N 3.06Å |
| 809 | L | 83.9 | Confident | 82 | Confident | 24 Ų | 24 | 27 Ų | 27 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 171 | -166 | 148.7 | 0 | 0 | 0 | 111.8 | A575 D805 N806 G811 L812 A813 L834 | A575-L809 HydrophobicContact CB-CD1 3.92Å; D805-L809 PolarHBondContact O-N 3.25Å; N806-L809 PolarHBondContact O-N 3.03Å; L809-G811 VanDerWaalsContact C-N 3.26Å; L809-G811 PolarHBondContact O-N 3.29Å; L809-L812 PolarHBondContact O-N 3.32Å; L809-A813 WeakPolarHBondContact O-CB 3.38Å; L809-A813 PolarHBondContact O-N 2.83Å; L809-L834 HydrophobicContact CB-CD2 4.02Å; L809-L834 HydrophobicContact CD1-CD1 4.29Å; L809-L834 HydrophobicContact CD1-CD2 3.7Å; L809-L834 HydrophobicContact CD1-CG 4.4Å; L809-L834 HydrophobicContact CG-CD2 4.44Å |
| 810 | N | 82.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -30.9 | 173.3 | -64.3 | -34.4 | 0 | 0 | 0 | 112.4 | Q446 G545 Q546 Q572 N806 A807 T808 R814 | Q446-N810 PolarHBondContact NE2-ND2 3.18Å; G545-N810 PolarHBondContact O-ND2 3.13Å; Q546-N810 HydrophobicContact CG-CB 4.22Å; Q546-N810 PolarHBondContact NE2-O 3.09Å; Q546-N810 VanDerWaalsContact NE2-O 3.16Å; Q572-N810 PolarHBondContact NE2-OD1 2.9Å; N806-N810 PolarHBondContact O-N 3.16Å; N806-N810 PolarHBondContact O-ND2 2.78Å; N806-N810 PolarHBondContact OD1-ND2 2.92Å; A807-N810 PolarHBondContact O-N 2.71Å; T808-N810 PolarHBondContact O-N 3.41Å; N810-R814 PolarHBondContact O-N 2.81Å |
| 811 | G | 84.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -50.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G786 A807 T808 L809 R814 | G786-G811 WeakPolarHBondContact CA-O 3.32Å; A807-G811 PolarHBondContact O-N 2.99Å; T808-G811 CarbonylContact O-C 3.21Å; T808-G811 WeakPolarHBondContact O-CA 3.32Å; T808-G811 PolarHBondContact O-N 2.75Å; T808-G811 VanDerWaalsContact O-N 3.09Å; L809-G811 VanDerWaalsContact C-N 3.26Å; L809-G811 PolarHBondContact O-N 3.29Å; G811-R814 VanDerWaalsContact O-CB 3.24Å; G811-R814 WeakPolarHBondContact O-CB 3.2Å; G811-R814 PolarHBondContact O-N 2.99Å |
| 812 | L | 87.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 178.9 | -65.5 | 175.6 | 0 | 0 | 0 | 112 | Q607 P785 V795 A797 V799 T808 L809 R814 S815 V819 L821 | Q607-L812 HydrophobicContact CB-CD2 4.29Å; P785-L812 HydrophobicContact CB-CD2 3.94Å; V795-L812 HydrophobicContact CG1-CD2 4.17Å; A797-L812 HydrophobicContact CB-CD1 3.66Å; A797-L812 HydrophobicContact CB-CD2 3.62Å; A797-L812 HydrophobicContact CB-CG 4.28Å; V799-L812 HydrophobicContact CG2-CD1 4.04Å; T808-L812 WeakPolarHBondContact O-CG 3.18Å; T808-L812 PolarHBondContact O-N 3.06Å; L809-L812 PolarHBondContact O-N 3.32Å; L812-R814 PolarHBondContact O-N 2.98Å; L812-R814 VanDerWaalsContact O-N 3.12Å; L812-S815 WeakPolarHBondContact O-CA 3.28Å; L812-S815 WeakPolarHBondContact O-CB 3.47Å; L812-S815 PolarHBondContact O-N 3.2Å; L812-V819 HydrophobicContact CB-CG1 4.03Å; L812-V819 HydrophobicContact CB-CG2 4.29Å; L812-V819 HydrophobicContact CD1-CG1 3.96Å; L812-L821 HydrophobicContact CD1-CD1 4.07Å |
| 813 | A | 86.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 20 Ų | 20 | 12% | 0.116 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G448 L809 S815 | G448-A813 VanDerWaalsContact CA-O 3.24Å; G448-A813 WeakPolarHBondContact CA-O 3.39Å; L809-A813 WeakPolarHBondContact O-CB 3.38Å; L809-A813 PolarHBondContact O-N 2.83Å; A813-S815 VanDerWaalsContact C-N 3.29Å |
| 814 | R | 86.5 | Confident | 85.2 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -32.4 | 168.6 | -173.6 | 173.3 | 81.1 | 156.3 | 12.3 | 111.7 | D476 Q516 G786 V789 S790 N810 G811 L812 | D476-R814 IonicContact OD2-CZ 2.6Å; D476-R814 IonicContact OD2-NH1 3.39Å; D476-R814 PolarHBondContact OD2-NH1 3.41Å; D476-R814 IonicContact OD2-NH2 3.08Å; D476-R814 PolarHBondContact OD2-NH2 3.33Å; D476-R814 VanDerWaalsContact OD2-NH2 3.14Å; Q516-R814 VanDerWaalsContact NE2-CD 3.33Å; G786-R814 PolarHBondContact O-NE 3.39Å; G786-R814 PolarHBondContact O-NH2 3.09Å; V789-R814 WeakPolarHBondContact CA-O 3.4Å; V789-R814 HydrophobicContact CG1-CG 4.39Å; V789-R814 HydrophobicContact CG2-CG 4.02Å; S790-R814 PolarHBondContact N-O 3.36Å; N810-R814 PolarHBondContact O-N 2.81Å; G811-R814 VanDerWaalsContact O-CB 3.24Å; G811-R814 WeakPolarHBondContact O-CB 3.2Å; G811-R814 PolarHBondContact O-N 2.99Å; L812-R814 PolarHBondContact O-N 2.98Å; L812-R814 VanDerWaalsContact O-N 3.12Å |
| 815 | S | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -84.4 | -12 | -173.2 | -60.9 | 0 | 0 | 0 | 0 | 114.3 | Q607 G786 S788 L812 A813 | Q607-S815 VanDerWaalsContact NE2-CB 3.33Å; Q607-S815 PolarHBondContact NE2-OG 2.96Å; G786-S815 WeakPolarHBondContact CA-OG 3.37Å; S788-S815 PolarHBondContact N-OG 2.93Å; S788-S815 VanDerWaalsContact O-CA 3.31Å; S788-S815 WeakPolarHBondContact O-CA 3.44Å; S788-S815 PolarHBondContact O-OG 3.12Å; L812-S815 WeakPolarHBondContact O-CA 3.28Å; L812-S815 WeakPolarHBondContact O-CB 3.47Å; L812-S815 PolarHBondContact O-N 3.2Å; A813-S815 VanDerWaalsContact C-N 3.29Å |
| 816 | G | 87.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | trans | 172.9 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A793 | A793-G816 CarbonylContact O-C 3.6Å; A793-G816 WeakPolarHBondContact O-CA 3.29Å | ||
| 817 | R | 82.2 | Confident | 86.1 | Confident | 116 Ų | 116 | 27.4 Ų | 27.4 | 44% | 0.438 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -84.9 | -38.9 | -174.6 | -179 | 178.3 | -179.3 | 152.1 | 7.8 | 113.5 | E571 D791 A793 | E571-R817 IonicContact OE1-NH2 3.34Å; E571-R817 PolarHBondContact OE1-NH2 2.81Å; E571-R817 IonicContact OE2-CZ 3.15Å; E571-R817 IonicContact OE2-NH2 3.31Å; E571-R817 PolarHBondContact OE2-NH2 2.75Å; D791-R817 WeakPolarHBondContact O-CB 3.42Å; A793-R817 PolarHBondContact O-N 3.2Å |
| 818 | D | 88.7 | Confident | 86.1 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 113.5 | 179.3 | -176.6 | 33.4 | 0 | 0 | 0 | 109.6 | A793 T794 V795 R820 | A793-D818 PolarHBondContact O-N 3.38Å; T794-D818 CarbonylContact C-O 3.6Å; T794-D818 WeakPolarHBondContact CA-O 3.35Å; T794-D818 HydrophobicContact CG2-CB 4.19Å; V795-D818 PolarHBondContact N-O 2.87Å; D818-R820 IonicContact OD2-NE 2.68Å |
| 819 | V | 90.2 | Very high | 85.9 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.4 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | A575 T576 V795 L812 | A575-V819 CarbonylContact C-O 3.58Å; A575-V819 VanDerWaalsContact CA-O 3.29Å; A575-V819 WeakPolarHBondContact CA-O 3.49Å; A575-V819 HydrophobicContact CB-CB 4.05Å; A575-V819 HydrophobicContact CB-CG1 4.04Å; T576-V819 PolarHBondContact N-O 3.41Å; V795-V819 HydrophobicContact CB-CG2 4.32Å; V795-V819 HydrophobicContact CG2-CG2 4.5Å; L812-V819 HydrophobicContact CB-CG1 4.03Å; L812-V819 HydrophobicContact CB-CG2 4.29Å; L812-V819 HydrophobicContact CD1-CG1 3.96Å |
| 820 | R | 94.1 | Very high | 85.8 | Confident | 76 Ų | 76 | 32.5 Ų | 32.5 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.5 | 171.2 | -60.6 | -171.2 | -175.4 | -171.2 | 4.9 | 109.3 | T576 I578 T794 V795 F796 A797 D818 Y822 | T576-R820 CarbonylContact O-C 3.18Å; T576-R820 WeakPolarHBondContact O-CA 3.3Å; I578-R820 HydrophobicContact CD1-CB 4.44Å; T794-R820 HydrophobicContact CG2-CG 4.4Å; V795-R820 PolarHBondContact O-N 3.25Å; F796-R820 HydrophobicContact CD1-CB 4.38Å; A797-R820 PolarHBondContact N-O 3.3Å; D818-R820 IonicContact OD2-NE 2.68Å; R820-Y822 HydrophobicContact CB-CE2 4.05Å |
| 821 | L | 92.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 114 | -175.1 | -170.1 | 142.5 | 0 | 0 | 0 | 110.2 | T576 I578 A797 V799 M804 L812 T830 L834 | T576-L821 PolarHBondContact O-N 3.43Å; I578-L821 PolarHBondContact N-O 3.01Å; A797-L821 CarbonylContact O-C 3.44Å; A797-L821 WeakPolarHBondContact O-CA 3.31Å; V799-L821 HydrophobicContact CG2-CD1 4.38Å; M804-L821 HydrophobicContact CE-CD2 4.43Å; L812-L821 HydrophobicContact CD1-CD1 4.07Å; L821-T830 HydrophobicContact CD2-CG2 3.77Å; L821-L834 HydrophobicContact CD1-CD1 4.38Å; L821-L834 HydrophobicContact CD1-CD2 4.12Å |
| 822 | Y | 93 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.3 | 176.8 | -63.7 | -101.4 | 0 | 0 | 0 | 109.2 | I578 R586 R589 L590 D593 F796 A797 S798 R820 | I578-Y822 HydrophobicContact CB-CD1 3.9Å; I578-Y822 HydrophobicContact CB-CE1 4.06Å; I578-Y822 HydrophobicContact CB-CG 4.38Å; I578-Y822 HydrophobicContact CD1-CD1 4.19Å; I578-Y822 HydrophobicContact CD1-CE1 3.54Å; I578-Y822 HydrophobicContact CD1-CE2 3.99Å; I578-Y822 VanDerWaalsContact CD1-CZ 3.42Å; I578-Y822 HydrophobicContact CG1-CE1 4.41Å; I578-Y822 HydrophobicContact CG2-CD1 3.8Å; I578-Y822 HydrophobicContact CG2-CE1 3.86Å; I578-Y822 CarbonylContact O-C 3.58Å; I578-Y822 VanDerWaalsContact O-CA 3.3Å; I578-Y822 WeakPolarHBondContact O-CA 3.44Å; R586-Y822 HydrophobicContact CG-CD1 4.44Å; R586-Y822 HydrophobicContact CG-CG 4.48Å; R589-Y822 HydrophobicContact CG-CE1 4.13Å; L590-Y822 HydrophobicContact CB-CD1 4.13Å; L590-Y822 HydrophobicContact CB-CD2 4.13Å; L590-Y822 HydrophobicContact CB-CE1 4.1Å; L590-Y822 HydrophobicContact CB-CE2 4.12Å; L590-Y822 HydrophobicContact CB-CG 4.15Å; L590-Y822 HydrophobicContact CD1-CD2 3.7Å; L590-Y822 HydrophobicContact CD1-CE2 4.23Å; L590-Y822 HydrophobicContact CD1-CG 4.07Å; L590-Y822 HydrophobicContact CG-CD2 3.75Å; L590-Y822 HydrophobicContact CG-CE2 3.76Å; L590-Y822 HydrophobicContact CG-CG 4.23Å; D593-Y822 VanDerWaalsContact CB-OH 3.29Å; D593-Y822 WeakPolarHBondContact CB-OH 3.47Å; D593-Y822 PolarHBondContact OD2-OH 3.06Å; F796-Y822 HydrophobicContact CD1-CE2 4.05Å; A797-Y822 PolarHBondContact O-N 3.29Å; S798-Y822 PolarHBondContact OG-O 2.86Å; R820-Y822 HydrophobicContact CB-CE2 4.05Å |
| 823 | S | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.1 | -171.9 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | I578 E580 M804 L825 T830 | I578-S823 PolarHBondContact O-N 3Å; E580-S823 CarbonylContact C-O 3.54Å; E580-S823 PolarHBondContact N-O 3.4Å; E580-S823 VanDerWaalsContact O-O 3.11Å; M804-S823 WeakPolarHBondContact CE-OG 3.39Å; S823-L825 VanDerWaalsContact C-N 3.26Å; S823-L825 PolarHBondContact OG-N 3.35Å; S823-T830 WeakPolarHBondContact CB-OG1 3.38Å; S823-T830 PolarHBondContact OG-OG1 3.03Å |
| 824 | S | 84.6 | Confident | 84.2 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -74.7 | -16.7 | 167.5 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | R586 Q801 R1359 | R586-S824 VanDerWaalsContact NH2-CB 3.3Å; Q801-S824 WeakPolarHBondContact CG-OG 3.4Å; Q801-S824 PolarHBondContact NE2-OG 2.94Å; S824-R1359 VanDerWaalsContact CB-O 3.29Å; S824-R1359 WeakPolarHBondContact CB-O 3.35Å |
| 825 | L | 81.5 | Confident | 83.5 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.12 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -96 | 162.2 | -179.4 | -61.5 | 171.8 | 0 | 0 | 0 | 110.3 | S579 Q801 M804 S823 R829 T830 K833 | S579-L825 VanDerWaalsContact CB-O 3.24Å; S579-L825 WeakPolarHBondContact CB-O 3.32Å; S579-L825 PolarHBondContact OG-O 3.48Å; Q801-L825 HydrophobicContact CG-CD1 3.95Å; Q801-L825 HydrophobicContact CG-CD2 4.48Å; Q801-L825 HydrophobicContact CG-CG 4.02Å; Q801-L825 VanDerWaalsContact NE2-CD2 3.26Å; M804-L825 HydrophobicContact SD-CD1 4.23Å; S823-L825 VanDerWaalsContact C-N 3.26Å; S823-L825 PolarHBondContact OG-N 3.35Å; L825-R829 HydrophobicContact CD1-CG 4.48Å; L825-T830 PolarHBondContact O-OG1 3.41Å; L825-K833 HydrophobicContact CD1-CD 3.76Å |
| 826 | D | 82.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | trans | -63.1 | 164.4 | 168 | 63.6 | 65.6 | 0 | 0 | 0 | 112 | T828 R829 T830 | D826-T828 PolarHBondContact O-N 2.99Å; D826-T828 PolarHBondContact OD1-N 2.69Å; D826-T828 PolarHBondContact OD1-OG1 3.49Å; D826-R829 PolarHBondContact O-N 3.33Å; D826-R829 WeakPolarHBondContact OD1-CB 3.39Å; D826-R829 PolarHBondContact OD1-N 3.45Å; D826-T830 VanDerWaalsContact O-CB 3.24Å; D826-T830 WeakPolarHBondContact O-CB 3.5Å; D826-T830 PolarHBondContact O-N 3.4Å; D826-T830 PolarHBondContact O-OG1 3.42Å | ||
| 827 | E | 84 | Confident | 81 | Confident | 123 Ų | 123 | 50.5 Ų | 50.5 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | -173.3 | -175.3 | 173.8 | -175.1 | 0 | 0 | 112 | I577 S579 R829 T830 A831 | I577-E827 HydrophobicContact CB-CG 4.12Å; I577-E827 HydrophobicContact CD1-CG 4.35Å; I577-E827 HydrophobicContact CG2-CB 4.4Å; I577-E827 HydrophobicContact CG2-CG 4.14Å; S579-E827 WeakPolarHBondContact OG-CA 3.17Å; S579-E827 PolarHBondContact OG-N 2.94Å; E827-R829 PolarHBondContact O-N 2.78Å; E827-T830 PolarHBondContact O-N 2.91Å; E827-A831 WeakPolarHBondContact O-CB 3.3Å; E827-A831 PolarHBondContact O-N 3Å |
| 828 | T | 79 | Confident | 79.6 | Confident | 107 Ų | 107 | 46.9 Ų | 46.9 | 66% | 0.656 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.2 | -45.3 | -179.3 | 45.3 | 0 | 0 | 0 | 0 | 112.3 | D826 A831 E832 | D826-T828 PolarHBondContact O-N 2.99Å; D826-T828 PolarHBondContact OD1-N 2.69Å; D826-T828 PolarHBondContact OD1-OG1 3.49Å; T828-A831 PolarHBondContact O-N 3.1Å; T828-E832 PolarHBondContact O-N 3.33Å |
| 829 | R | 75.5 | Confident | 77.8 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76 | -31.5 | -178.4 | -162 | 166.6 | -174.2 | 146.5 | 4 | 111.8 | L825 D826 E827 K833 D1046 | L825-R829 HydrophobicContact CD1-CG 4.48Å; D826-R829 PolarHBondContact O-N 3.33Å; D826-R829 WeakPolarHBondContact OD1-CB 3.39Å; D826-R829 PolarHBondContact OD1-N 3.45Å; E827-R829 PolarHBondContact O-N 2.78Å; R829-K833 PolarHBondContact O-N 3.25Å; R829-D1046 IonicContact NH1-OD1 2.8Å; R829-D1046 IonicContact NH1-OD2 3.12Å |
| 830 | T | 81.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 169.8 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | I577 M804 L821 S823 L825 D826 E827 K833 L834 | I577-T830 HydrophobicContact CD1-CG2 3.97Å; I577-T830 HydrophobicContact CG1-CG2 4.12Å; I577-T830 HydrophobicContact CG2-CG2 3.66Å; M804-T830 HydrophobicContact SD-CG2 3.75Å; L821-T830 HydrophobicContact CD2-CG2 3.77Å; S823-T830 WeakPolarHBondContact CB-OG1 3.38Å; S823-T830 PolarHBondContact OG-OG1 3.03Å; L825-T830 PolarHBondContact O-OG1 3.41Å; D826-T830 VanDerWaalsContact O-CB 3.24Å; D826-T830 WeakPolarHBondContact O-CB 3.5Å; D826-T830 PolarHBondContact O-N 3.4Å; D826-T830 PolarHBondContact O-OG1 3.42Å; E827-T830 PolarHBondContact O-N 2.91Å; T830-K833 PolarHBondContact O-N 2.9Å; T830-L834 HydrophobicContact CG2-CD1 3.65Å; T830-L834 HydrophobicContact CG2-CG 4.38Å; T830-L834 WeakPolarHBondContact O-CB 3.42Å; T830-L834 WeakPolarHBondContact O-CD1 3.38Å; T830-L834 VanDerWaalsContact O-CG 3.29Å; T830-L834 WeakPolarHBondContact O-CG 3.35Å; T830-L834 PolarHBondContact O-N 3.1Å |
| 831 | A | 80.7 | Confident | 74.8 | Confident | 48 Ų | 48 | 48 Ų | 48 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I577 E827 T828 K833 L834 A835 | I577-A831 HydrophobicContact CD1-CB 4.22Å; E827-A831 WeakPolarHBondContact O-CB 3.3Å; E827-A831 PolarHBondContact O-N 3Å; T828-A831 PolarHBondContact O-N 3.1Å; A831-K833 VanDerWaalsContact C-N 3.3Å; A831-K833 PolarHBondContact O-N 2.91Å; A831-L834 PolarHBondContact O-N 3.2Å; A831-A835 WeakPolarHBondContact O-CB 3.47Å; A831-A835 PolarHBondContact O-N 3.3Å |
| 832 | E | 75.5 | Confident | 74 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 174.1 | -77.9 | -170.2 | 156.8 | 0 | 0 | 112.1 | T828 R836 R1026 | T828-E832 PolarHBondContact O-N 3.33Å; E832-R836 WeakPolarHBondContact O-CG 3.32Å; E832-R1026 IonicContact OE1-CZ 3.87Å; E832-R1026 IonicContact OE1-NH1 3.45Å; E832-R1026 PolarHBondContact OE1-NH1 2.76Å; E832-R1026 IonicContact OE1-NH2 3.77Å; E832-R1026 PolarHBondContact OE1-NH2 3.47Å; E832-R1026 IonicContact OE2-CZ 2.8Å; E832-R1026 IonicContact OE2-NH1 3.68Å; E832-R1026 IonicContact OE2-NH2 2.78Å; E832-R1026 PolarHBondContact OE2-NH2 3.18Å; E832-R1026 VanDerWaalsContact OE2-NH2 3.13Å |
| 833 | K | 74.5 | Confident | 73.3 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.4 | -42.4 | 177.5 | -84 | -163.4 | 170.3 | -164.2 | 0 | 112.7 | Q801 M804 L825 R829 T830 A831 A835 R836 | Q801-K833 PolarHBondContact O-NZ 3.26Å; M804-K833 HydrophobicContact CB-CB 4.46Å; M804-K833 HydrophobicContact CB-CD 4.42Å; M804-K833 HydrophobicContact CG-CB 4.17Å; M804-K833 CarbonylContact O-C 3.55Å; M804-K833 HydrophobicContact SD-CB 4.33Å; M804-K833 HydrophobicContact SD-CD 4.41Å; L825-K833 HydrophobicContact CD1-CD 3.76Å; R829-K833 PolarHBondContact O-N 3.25Å; T830-K833 PolarHBondContact O-N 2.9Å; A831-K833 VanDerWaalsContact C-N 3.3Å; A831-K833 PolarHBondContact O-N 2.91Å; K833-A835 VanDerWaalsContact C-N 3.27Å; K833-A835 PolarHBondContact O-N 3.4Å; K833-R836 VanDerWaalsContact O-CB 3.26Å; K833-R836 WeakPolarHBondContact O-CB 3.5Å; K833-R836 WeakPolarHBondContact O-CG 3.32Å; K833-R836 PolarHBondContact O-N 3.18Å; K833-R836 VanDerWaalsContact O-N 3.07Å |
| 834 | L | 77.3 | Confident | 73.1 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -30 | 178.8 | -78.3 | 164.7 | 0 | 0 | 0 | 113 | I577 M804 N806 L809 L821 T830 A831 R836 | I577-L834 HydrophobicContact CD1-CD1 4.04Å; I577-L834 HydrophobicContact CG1-CD1 4.32Å; M804-L834 HydrophobicContact CG-CD2 4.26Å; M804-L834 HydrophobicContact CG-CG 4.16Å; N806-L834 VanDerWaalsContact CA-O 3.24Å; N806-L834 WeakPolarHBondContact CA-O 3.31Å; N806-L834 VanDerWaalsContact CB-O 3.26Å; N806-L834 WeakPolarHBondContact CB-O 3.25Å; N806-L834 PolarHBondContact N-O 2.87Å; L809-L834 HydrophobicContact CB-CD2 4.02Å; L809-L834 HydrophobicContact CD1-CD1 4.29Å; L809-L834 HydrophobicContact CD1-CD2 3.7Å; L809-L834 HydrophobicContact CD1-CG 4.4Å; L809-L834 HydrophobicContact CG-CD2 4.44Å; L821-L834 HydrophobicContact CD1-CD1 4.38Å; L821-L834 HydrophobicContact CD1-CD2 4.12Å; T830-L834 HydrophobicContact CG2-CD1 3.65Å; T830-L834 HydrophobicContact CG2-CG 4.38Å; T830-L834 WeakPolarHBondContact O-CB 3.42Å; T830-L834 WeakPolarHBondContact O-CD1 3.38Å; T830-L834 VanDerWaalsContact O-CG 3.29Å; T830-L834 WeakPolarHBondContact O-CG 3.35Å; T830-L834 PolarHBondContact O-N 3.1Å; A831-L834 PolarHBondContact O-N 3.2Å; L834-R836 PolarHBondContact O-N 3.49Å |
| 835 | A | 73.2 | Confident | 72.8 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A831 K833 H837 | A831-A835 WeakPolarHBondContact O-CB 3.47Å; A831-A835 PolarHBondContact O-N 3.3Å; K833-A835 VanDerWaalsContact C-N 3.27Å; K833-A835 PolarHBondContact O-N 3.4Å; A835-H837 PolarHBondContact O-N 3.03Å |
| 836 | R | 64.5 | Low | 72.6 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | trans | -72.2 | 130.4 | -177.2 | -59.8 | -178 | -176 | -153.7 | -3.5 | 111.1 | N806 E832 K833 L834 | N806-R836 WeakPolarHBondContact CB-O 3.48Å; N806-R836 PolarHBondContact N-O 2.87Å; E832-R836 WeakPolarHBondContact O-CG 3.32Å; K833-R836 VanDerWaalsContact O-CB 3.26Å; K833-R836 WeakPolarHBondContact O-CB 3.5Å; K833-R836 WeakPolarHBondContact O-CG 3.32Å; K833-R836 PolarHBondContact O-N 3.18Å; K833-R836 VanDerWaalsContact O-N 3.07Å; L834-R836 PolarHBondContact O-N 3.49Å | ||
| 837 | H | 57 | Low | 72.7 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | trans | -83.8 | 123.9 | 169.8 | -73.1 | -75.1 | 0 | 0 | 0 | 108.5 | N806 A835 S839 | N806-H837 PolarHBondContact ND2-CE1 3.29Å; A835-H837 PolarHBondContact O-N 3.03Å; H837-S839 PolarHBondContact O-N 3.09Å | ||
| 838 | P | 53 | Low | 72.7 | Confident | 40 Ų | 40 | 45 Ų | 45 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | trans | -71.4 | 105.1 | 173.3 | 26.5 | -28.5 | 0 | 0 | 0 | 108.5 | D805 A807 F840 | D805-P838 HydrophobicContact CB-CG 4.37Å; D805-P838 WeakPolarHBondContact OD2-CB 3.46Å; D805-P838 WeakPolarHBondContact OD2-CG 3.34Å; A807-P838 HydrophobicContact CB-CG 3.34Å; P838-F840 HydrophobicContact CB-CD2 4.4Å; P838-F840 HydrophobicContact CB-CE2 3.89Å; P838-F840 HydrophobicContact CG-CE2 4.43Å; P838-F840 PolarHBondContact O-N 3.12Å | ||
| 839 | S | 52 | Low | 72.7 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | trans | -93.4 | 100.9 | 178.2 | 31.6 | 0 | 0 | 0 | 0 | 109.4 | H837 T841 S1063 | H837-S839 PolarHBondContact O-N 3.09Å; S839-T841 PolarHBondContact O-N 2.97Å; S839-S1063 WeakPolarHBondContact CB-O 3.34Å; S839-S1063 WeakPolarHBondContact O-CA 3.37Å; S839-S1063 VanDerWaalsContact OG-CB 3.27Å; S839-S1063 WeakPolarHBondContact OG-CB 3.43Å; S839-S1063 PolarHBondContact OG-O 3.22Å | ||
| 840 | F | 57.5 | Low | 72.7 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | trans | -79.9 | 103.8 | 170.8 | -68.4 | -90.3 | 0 | 0 | 0 | 108.4 | R547 T548 S552 M555 P838 | R547-F840 HydrophobicContact CG-CE2 3.98Å; R547-F840 HydrophobicContact CG-CZ 3.83Å; T548-F840 WeakPolarHBondContact OG1-CD2 3.22Å; T548-F840 VanDerWaalsContact OG1-CE2 3.29Å; T548-F840 WeakPolarHBondContact OG1-CE2 3.33Å; T548-F840 WeakPolarHBondContact OG1-CG 3.45Å; S552-F840 PolarHBondContact OG-O 3.38Å; M555-F840 WeakPolarHBondContact CE-O 3.11Å; P838-F840 HydrophobicContact CB-CD2 4.4Å; P838-F840 HydrophobicContact CB-CE2 3.89Å; P838-F840 HydrophobicContact CG-CE2 4.43Å; P838-F840 PolarHBondContact O-N 3.12Å | ||
| 841 | T | 62.8 | Low | 72.6 | Confident | 45 Ų | 45 | 49 Ų | 49 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | trans | -68.4 | 140.5 | 170.9 | 46.6 | 0 | 0 | 0 | 0 | 110 | S839 Q846 R1062 | S839-T841 PolarHBondContact O-N 2.97Å; T841-Q846 PolarHBondContact O-NE2 2.95Å; T841-Q846 WeakPolarHBondContact OG1-CG 3.16Å; T841-Q846 PolarHBondContact OG1-NE2 3.44Å; T841-R1062 WeakPolarHBondContact CG2-O 3.24Å; T841-R1062 PolarHBondContact OG1-O 3.44Å | ||
| 842 | V | 76.9 | Confident | 72.7 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | trans | -68.3 | 151.4 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | E396 M555 A556 S844 E845 Q846 | E396-V842 VanDerWaalsContact CD-CB 3.48Å; E396-V842 HydrophobicContact CG-CB 4.46Å; E396-V842 VanDerWaalsContact OE1-CB 3.26Å; E396-V842 WeakPolarHBondContact OE1-CB 3.44Å; E396-V842 WeakPolarHBondContact OE1-CG2 3.47Å; E396-V842 WeakPolarHBondContact OE2-CB 3.29Å; M555-V842 HydrophobicContact CB-CG1 3.87Å; M555-V842 HydrophobicContact CG-CG1 4.02Å; A556-V842 HydrophobicContact CB-CG1 4.3Å; V842-S844 VanDerWaalsContact C-N 3.25Å; V842-S844 PolarHBondContact O-N 3.27Å; V842-E845 HydrophobicContact CG2-CB 3.91Å; V842-E845 HydrophobicContact CG2-CG 3.62Å; V842-E845 PolarHBondContact O-N 3.38Å; V842-Q846 PolarHBondContact O-N 2.81Å | ||
| 843 | V | 78.3 | Confident | 73.2 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -31.1 | -173.7 | -106.3 | 0 | 0 | 0 | 0 | 111.4 | V339 T388 H392 E396 E845 Q846 I847 | V339-V843 HydrophobicContact CG1-CB 4.35Å; V339-V843 HydrophobicContact CG1-CG1 3.3Å; V339-V843 HydrophobicContact CG1-CG2 4.11Å; T388-V843 HydrophobicContact CG2-CG1 4.43Å; H392-V843 HydrophobicContact CB-CG2 4.29Å; E396-V843 VanDerWaalsContact OE2-CG2 3.26Å; E396-V843 WeakPolarHBondContact OE2-CG2 3.49Å; E396-V843 PolarHBondContact OE2-N 2.7Å; V843-E845 VanDerWaalsContact C-N 3.33Å; V843-E845 PolarHBondContact O-N 3.34Å; V843-Q846 PolarHBondContact O-N 3.14Å; V843-I847 WeakPolarHBondContact O-CG1 3.47Å; V843-I847 PolarHBondContact O-N 3.15Å |
| 844 | S | 83.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | E396 V842 I847 K848 | E396-S844 VanDerWaalsContact OE1-CB 3.25Å; E396-S844 WeakPolarHBondContact OE1-CB 3.48Å; E396-S844 PolarHBondContact OE1-OG 3.42Å; E396-S844 PolarHBondContact OE2-N 3.47Å; V842-S844 VanDerWaalsContact C-N 3.25Å; V842-S844 PolarHBondContact O-N 3.27Å; S844-I847 PolarHBondContact O-N 2.93Å; S844-K848 VanDerWaalsContact O-CG 3.31Å; S844-K848 WeakPolarHBondContact O-CG 3.31Å; S844-K848 PolarHBondContact O-N 3.39Å; S844-K848 VanDerWaalsContact O-N 3.11Å |
| 845 | E | 79.3 | Confident | 74.3 | Confident | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 177.5 | -71.5 | -53.3 | 136.6 | 0 | 0 | 112.3 | V842 V843 I847 K848 A849 | V842-E845 HydrophobicContact CG2-CB 3.91Å; V842-E845 HydrophobicContact CG2-CG 3.62Å; V842-E845 PolarHBondContact O-N 3.38Å; V843-E845 VanDerWaalsContact C-N 3.33Å; V843-E845 PolarHBondContact O-N 3.34Å; E845-I847 VanDerWaalsContact C-N 3.33Å; E845-I847 PolarHBondContact O-N 3.49Å; E845-K848 PolarHBondContact O-N 3.4Å; E845-K848 IonicContact OE1-NZ 3.2Å; E845-K848 PolarHBondContact OE1-NZ 3.45Å; E845-A849 VanDerWaalsContact O-CB 3.24Å; E845-A849 WeakPolarHBondContact O-CB 2.98Å; E845-A849 PolarHBondContact O-N 2.91Å |
| 846 | Q | 76.7 | Confident | 75 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 23% | 0.229 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174 | -66.7 | 175.6 | 1.3 | 0 | 0 | 112 | T841 V842 V843 R850 | T841-Q846 PolarHBondContact O-NE2 2.95Å; T841-Q846 WeakPolarHBondContact OG1-CG 3.16Å; T841-Q846 PolarHBondContact OG1-NE2 3.44Å; V842-Q846 PolarHBondContact O-N 2.81Å; V843-Q846 PolarHBondContact O-N 3.14Å; Q846-R850 VanDerWaalsContact O-CB 3.23Å; Q846-R850 WeakPolarHBondContact O-CB 3.27Å; Q846-R850 PolarHBondContact O-N 3.39Å; Q846-R850 VanDerWaalsContact O-N 3.16Å |
| 847 | I | 83.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 177.6 | -66.3 | 163.5 | 0 | 0 | 0 | 110.2 | I378 L380 T388 V393 V843 S844 E845 R850 A851 L856 A859 I860 | I378-I847 HydrophobicContact CG2-CD1 4.19Å; L380-I847 HydrophobicContact CD2-CG1 3.84Å; T388-I847 HydrophobicContact CG2-CD1 4.04Å; V393-I847 HydrophobicContact CG2-CD1 3.89Å; V843-I847 WeakPolarHBondContact O-CG1 3.47Å; V843-I847 PolarHBondContact O-N 3.15Å; S844-I847 PolarHBondContact O-N 2.93Å; E845-I847 VanDerWaalsContact C-N 3.33Å; E845-I847 PolarHBondContact O-N 3.49Å; I847-R850 PolarHBondContact O-N 3.48Å; I847-A851 WeakPolarHBondContact O-CB 3.12Å; I847-A851 PolarHBondContact O-N 2.86Å; I847-L856 HydrophobicContact CB-CD1 4.1Å; I847-L856 HydrophobicContact CD1-CD1 4.27Å; I847-L856 HydrophobicContact CG2-CD1 4.1Å; I847-A859 HydrophobicContact CG2-CB 3.96Å; I847-I860 HydrophobicContact CD1-CG1 4.42Å; I847-I860 HydrophobicContact CG2-CG1 3.93Å |
| 848 | K | 84.8 | Confident | 77.8 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.6 | -55.5 | 177.9 | -73.2 | 173.5 | -174.3 | -178.9 | 0 | 112.5 | S844 E845 R850 A851 G852 E853 T854 L856 | S844-K848 VanDerWaalsContact O-CG 3.31Å; S844-K848 WeakPolarHBondContact O-CG 3.31Å; S844-K848 PolarHBondContact O-N 3.39Å; S844-K848 VanDerWaalsContact O-N 3.11Å; E845-K848 PolarHBondContact O-N 3.4Å; E845-K848 IonicContact OE1-NZ 3.2Å; E845-K848 PolarHBondContact OE1-NZ 3.45Å; K848-R850 PolarHBondContact O-N 3.44Å; K848-A851 PolarHBondContact O-N 2.88Å; K848-A851 VanDerWaalsContact O-N 3.14Å; K848-G852 PolarHBondContact O-N 3.18Å; K848-E853 CarbonylContact C-O 3.48Å; K848-E853 WeakPolarHBondContact CA-O 3.13Å; K848-E853 WeakPolarHBondContact CB-O 3.39Å; K848-E853 WeakPolarHBondContact CG-O 3.19Å; K848-E853 PolarHBondContact O-N 3.18Å; K848-E853 VanDerWaalsContact O-N 3.15Å; K848-T854 VanDerWaalsContact CD-O 3.28Å; K848-T854 WeakPolarHBondContact CD-O 3.45Å; K848-T854 WeakPolarHBondContact CE-O 3.45Å; K848-L856 HydrophobicContact CG-CD1 4.39Å |
| 849 | A | 78.1 | Confident | 79.4 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.9 | -35.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | E845 | E845-A849 VanDerWaalsContact O-CB 3.24Å; E845-A849 WeakPolarHBondContact O-CB 2.98Å; E845-A849 PolarHBondContact O-N 2.91Å |
| 850 | R | 76.5 | Confident | 81.2 | Confident | 131 Ų | 131 | 52.8 Ų | 52.8 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.1 | -31.8 | 179.4 | -164.4 | -179.5 | -79.7 | -131.5 | -5.1 | 113.6 | L380 Q846 I847 K848 Q863 | L380-R850 WeakPolarHBondContact O-CD 3.39Å; L380-R850 VanDerWaalsContact O-CZ 3.27Å; L380-R850 PolarHBondContact O-NE 3.08Å; L380-R850 PolarHBondContact O-NH1 3.38Å; Q846-R850 VanDerWaalsContact O-CB 3.23Å; Q846-R850 WeakPolarHBondContact O-CB 3.27Å; Q846-R850 PolarHBondContact O-N 3.39Å; Q846-R850 VanDerWaalsContact O-N 3.16Å; I847-R850 PolarHBondContact O-N 3.48Å; K848-R850 PolarHBondContact O-N 3.44Å; R850-Q863 PolarHBondContact O-NE2 2.87Å |
| 851 | A | 79.5 | Confident | 82.8 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.9 | -14.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I847 K848 E853 A859 Q863 | I847-A851 WeakPolarHBondContact O-CB 3.12Å; I847-A851 PolarHBondContact O-N 2.86Å; K848-A851 PolarHBondContact O-N 2.88Å; K848-A851 VanDerWaalsContact O-N 3.14Å; A851-E853 PolarHBondContact O-N 3.35Å; A851-A859 HydrophobicContact CB-CB 3.59Å; A851-Q863 HydrophobicContact CB-CG 4.28Å |
| 852 | G | 82.3 | Confident | 84 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 17.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K848 | K848-G852 PolarHBondContact O-N 3.18Š|
| 853 | E | 86.9 | Confident | 84.5 | Confident | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | trans | -129.9 | 143.1 | -173.2 | -171.6 | 51.7 | 132.1 | 0 | 0 | 112.7 | K848 A851 T858 A859 L862 | K848-E853 CarbonylContact C-O 3.48Å; K848-E853 WeakPolarHBondContact CA-O 3.13Å; K848-E853 WeakPolarHBondContact CB-O 3.39Å; K848-E853 WeakPolarHBondContact CG-O 3.19Å; K848-E853 PolarHBondContact O-N 3.18Å; K848-E853 VanDerWaalsContact O-N 3.15Å; A851-E853 PolarHBondContact O-N 3.35Å; E853-T858 WeakPolarHBondContact CG-OG1 3.22Å; E853-A859 HydrophobicContact CB-CB 4.47Å; E853-L862 HydrophobicContact CB-CD1 4.23Å | ||
| 854 | T | 85.2 | Confident | 84.9 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 64% | 0.644 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -81.3 | -33 | -171.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | K848 | K848-T854 VanDerWaalsContact CD-O 3.28Å; K848-T854 WeakPolarHBondContact CD-O 3.45Å; K848-T854 WeakPolarHBondContact CE-O 3.45Å |
| 855 | L | 89.3 | Confident | 85.1 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 60% | 0.602 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -84.8 | 128.7 | 178.2 | -73.8 | 172.4 | 0 | 0 | 0 | 110.2 | T858 A859 | L855-T858 VanDerWaalsContact CB-OG1 3.24Å; L855-T858 WeakPolarHBondContact CB-OG1 3.49Å; L855-T858 PolarHBondContact O-OG1 3.17Å; L855-A859 VanDerWaalsContact O-CB 3.26Å; L855-A859 WeakPolarHBondContact O-CB 3.38Å; L855-A859 PolarHBondContact O-N 2.95Å |
| 856 | L | 87.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | -173.1 | -178.6 | 61.6 | 0 | 0 | 0 | 112.8 | V393 L397 I847 K848 A859 I860 | V393-L856 HydrophobicContact CG1-CD2 3.88Å; L397-L856 HydrophobicContact CD1-CD2 4.08Å; L397-L856 HydrophobicContact CD2-CD2 4.01Å; L397-L856 HydrophobicContact CG-CD2 4.32Å; I847-L856 HydrophobicContact CB-CD1 4.1Å; I847-L856 HydrophobicContact CD1-CD1 4.27Å; I847-L856 HydrophobicContact CG2-CD1 4.1Å; K848-L856 HydrophobicContact CG-CD1 4.39Å; L856-A859 PolarHBondContact O-N 3.1Å; L856-I860 HydrophobicContact CD1-CD1 4.13Å; L856-I860 HydrophobicContact CD1-CG1 4.28Å; L856-I860 HydrophobicContact CG-CD1 3.93Å; L856-I860 HydrophobicContact CG-CG1 4.49Å; L856-I860 VanDerWaalsContact O-CG1 3.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.47Å; L856-I860 PolarHBondContact O-N 3.05Å |
| 857 | E | 88.8 | Confident | 85.8 | Confident | 168 Ų | 168 | 58.1 Ų | 58.1 | 79% | 0.785 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | -178.6 | -68.8 | 179.7 | 177.7 | 0 | 0 | 111.9 | I860 S861 | E857-I860 PolarHBondContact O-N 3.3Å; E857-S861 PolarHBondContact O-N 2.85Å |
| 858 | T | 90 | Very high | 86 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | E853 L855 I860 S861 L862 | E853-T858 WeakPolarHBondContact CG-OG1 3.22Å; L855-T858 VanDerWaalsContact CB-OG1 3.24Å; L855-T858 WeakPolarHBondContact CB-OG1 3.49Å; L855-T858 PolarHBondContact O-OG1 3.17Å; T858-I860 PolarHBondContact O-N 2.82Å; T858-S861 WeakPolarHBondContact CA-OG 3.39Å; T858-S861 PolarHBondContact O-N 3.1Å; T858-S861 PolarHBondContact O-OG 2.8Å; T858-L862 WeakPolarHBondContact O-CB 3.5Å; T858-L862 WeakPolarHBondContact O-CG 3.43Å; T858-L862 PolarHBondContact O-N 3.39Å |
| 859 | A | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I847 A851 E853 L855 L856 L862 Q863 | I847-A859 HydrophobicContact CG2-CB 3.96Å; A851-A859 HydrophobicContact CB-CB 3.59Å; E853-A859 HydrophobicContact CB-CB 4.47Å; L855-A859 VanDerWaalsContact O-CB 3.26Å; L855-A859 WeakPolarHBondContact O-CB 3.38Å; L855-A859 PolarHBondContact O-N 2.95Å; L856-A859 PolarHBondContact O-N 3.1Å; A859-L862 PolarHBondContact O-N 3.27Å; A859-Q863 WeakPolarHBondContact O-CG 3.26Å; A859-Q863 PolarHBondContact O-N 3.26Å |
| 860 | I | 89.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 175 | -68.3 | 166.2 | 0 | 0 | 0 | 110.4 | E375 I378 V393 I847 L856 E857 T858 L862 Q863 K864 | E375-I860 HydrophobicContact CG-CG2 4.26Å; I378-I860 HydrophobicContact CD1-CD1 4.01Å; I378-I860 HydrophobicContact CD1-CG1 4.28Å; I378-I860 HydrophobicContact CD1-CG2 4.35Å; I378-I860 HydrophobicContact CG1-CG2 4.3Å; I378-I860 HydrophobicContact CG2-CG1 4.35Å; I378-I860 HydrophobicContact CG2-CG2 4.24Å; V393-I860 HydrophobicContact CG1-CD1 4.44Å; I847-I860 HydrophobicContact CD1-CG1 4.42Å; I847-I860 HydrophobicContact CG2-CG1 3.93Å; L856-I860 HydrophobicContact CD1-CD1 4.13Å; L856-I860 HydrophobicContact CD1-CG1 4.28Å; L856-I860 HydrophobicContact CG-CD1 3.93Å; L856-I860 HydrophobicContact CG-CG1 4.49Å; L856-I860 VanDerWaalsContact O-CG1 3.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.47Å; L856-I860 PolarHBondContact O-N 3.05Å; E857-I860 PolarHBondContact O-N 3.3Å; T858-I860 PolarHBondContact O-N 2.82Å; I860-L862 VanDerWaalsContact C-N 3.32Å; I860-L862 PolarHBondContact O-N 3.19Å; I860-Q863 PolarHBondContact O-N 3.44Å; I860-K864 WeakPolarHBondContact O-CB 3.35Å; I860-K864 PolarHBondContact O-N 3.38Å |
| 861 | S | 89.7 | Confident | 87.1 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 179.8 | 74.1 | 0 | 0 | 0 | 0 | 112.6 | E857 T858 K864 A865 | E857-S861 PolarHBondContact O-N 2.85Å; T858-S861 WeakPolarHBondContact CA-OG 3.39Å; T858-S861 PolarHBondContact O-N 3.1Å; T858-S861 PolarHBondContact O-OG 2.8Å; S861-K864 PolarHBondContact O-N 3.29Å; S861-A865 WeakPolarHBondContact O-CB 3.28Å; S861-A865 PolarHBondContact O-N 3.04Å |
| 862 | L | 88.6 | Confident | 87.7 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 176.2 | -77.8 | 167.9 | 0 | 0 | 0 | 111.7 | E853 T858 A859 I860 K864 A865 G866 | E853-L862 HydrophobicContact CB-CD1 4.23Å; T858-L862 WeakPolarHBondContact O-CB 3.5Å; T858-L862 WeakPolarHBondContact O-CG 3.43Å; T858-L862 PolarHBondContact O-N 3.39Å; A859-L862 PolarHBondContact O-N 3.27Å; I860-L862 VanDerWaalsContact C-N 3.32Å; I860-L862 PolarHBondContact O-N 3.19Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 2.84Å; L862-A865 PolarHBondContact O-N 2.84Å; L862-G866 PolarHBondContact O-N 3Å |
| 863 | Q | 86.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 176.2 | -71.6 | -65.4 | -20.6 | 0 | 0 | 111.6 | P379 R850 A851 A859 I860 | P379-Q863 HydrophobicContact CG-CB 4.36Å; R850-Q863 PolarHBondContact O-NE2 2.87Å; A851-Q863 HydrophobicContact CB-CG 4.28Å; A859-Q863 WeakPolarHBondContact O-CG 3.26Å; A859-Q863 PolarHBondContact O-N 3.26Å; I860-Q863 PolarHBondContact O-N 3.44Å |
| 864 | K | 88.5 | Confident | 88 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 27% | 0.265 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 176.2 | 174.4 | 173.9 | 164.1 | -179.8 | 0 | 112.6 | S373 E375 I860 S861 L862 G866 L867 | S373-K864 WeakPolarHBondContact O-CE 3.26Å; S373-K864 PolarHBondContact O-NZ 2.78Å; E375-K864 HydrophobicContact CG-CD 4.05Å; E375-K864 IonicContact OE1-NZ 3.44Å; E375-K864 PolarHBondContact OE1-NZ 3.18Å; I860-K864 WeakPolarHBondContact O-CB 3.35Å; I860-K864 PolarHBondContact O-N 3.38Å; S861-K864 PolarHBondContact O-N 3.29Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 2.84Å; K864-G866 VanDerWaalsContact C-N 3.28Å; K864-G866 PolarHBondContact O-N 3.24Å; K864-L867 PolarHBondContact O-N 2.86Å |
| 865 | A | 86.3 | Confident | 88.3 | Confident | 86 Ų | 86 | 45.4 Ų | 45.4 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.8 | -26.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S861 L862 L867 | S861-A865 WeakPolarHBondContact O-CB 3.28Å; S861-A865 PolarHBondContact O-N 3.04Å; L862-A865 PolarHBondContact O-N 2.84Å; A865-L867 VanDerWaalsContact C-N 3.3Å; A865-L867 PolarHBondContact O-N 3.34Å |
| 866 | G | 85 | Confident | 88.3 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R382 L862 K864 | R382-G866 WeakPolarHBondContact CG-O 3.08Å; L862-G866 PolarHBondContact O-N 3Å; K864-G866 VanDerWaalsContact C-N 3.28Å; K864-G866 PolarHBondContact O-N 3.24Å |
| 867 | L | 86.8 | Confident | 88.1 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 138.6 | 176.4 | -77 | 176.8 | 0 | 0 | 0 | 111.7 | I372 P379 D381 K384 K864 A865 T869 | I372-L867 HydrophobicContact CG2-CD1 3.63Å; P379-L867 HydrophobicContact CB-CD1 4.31Å; P379-L867 HydrophobicContact CB-CD2 3.71Å; P379-L867 HydrophobicContact CB-CG 4.26Å; P379-L867 HydrophobicContact CG-CD1 4.01Å; P379-L867 HydrophobicContact CG-CD2 4.1Å; P379-L867 HydrophobicContact CG-CG 4.09Å; D381-L867 WeakPolarHBondContact O-CD2 3.31Å; K384-L867 HydrophobicContact CG-CD1 4.38Å; K384-L867 HydrophobicContact CG-CD2 3.59Å; K384-L867 HydrophobicContact CG-CG 4.49Å; K864-L867 PolarHBondContact O-N 2.86Å; A865-L867 VanDerWaalsContact C-N 3.3Å; A865-L867 PolarHBondContact O-N 3.34Å; L867-T869 PolarHBondContact O-N 2.82Å |
| 868 | H | 87.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 134.8 | 175.5 | -69.2 | -43.6 | 0 | 0 | 0 | 112 | R382 Q872 Q873 | R382-H868 PolarHBondContact O-CD2 3.06Å; R382-H868 VanDerWaalsContact O-CD2 3.27Å; R382-H868 PolarHBondContact O-N 3.45Å; H868-Q872 HydrophobicContact CB-CB 4.24Å; H868-Q872 HydrophobicContact CB-CG 4.38Å; H868-Q872 WeakPolarHBondContact ND1-CG 3.38Å; H868-Q872 PolarHBondContact ND1-NE2 2.8Å; H868-Q872 PolarHBondContact ND1-OE1 2.85Å; H868-Q873 HydrophobicContact CB-CB 3.97Å |
| 869 | T | 88 | Confident | 88.1 | Confident | 66 Ų | 66 | 33.3 Ų | 33.3 | 41% | 0.405 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 159.4 | 164.2 | 69.9 | 0 | 0 | 0 | 0 | 110 | L867 A871 Q872 Q873 | L867-T869 PolarHBondContact O-N 2.82Å; T869-A871 VanDerWaalsContact C-N 3.25Å; T869-A871 PolarHBondContact O-N 3.19Å; T869-Q872 PolarHBondContact O-N 2.88Å; T869-Q872 VanDerWaalsContact OG1-CB 3.29Å; T869-Q872 WeakPolarHBondContact OG1-CB 3.3Å; T869-Q872 PolarHBondContact OG1-N 3.07Å; T869-Q873 WeakPolarHBondContact O-CB 3.45Å; T869-Q873 PolarHBondContact O-N 2.83Å |
| 870 | P | 84.5 | Confident | 87.7 | Confident | 66 Ų | 66 | 35.7 Ų | 35.7 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -50.4 | -42.2 | 176.6 | -33.4 | 39.2 | 0 | 0 | 0 | 114.5 | A874 | P870-A874 PolarHBondContact O-N 2.48Å; P870-A874 VanDerWaalsContact O-N 3.13Å |
| 871 | A | 89.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.9 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T869 Q873 A874 I875 T906 L911 E914 | T869-A871 VanDerWaalsContact C-N 3.25Å; T869-A871 PolarHBondContact O-N 3.19Å; A871-Q873 VanDerWaalsContact C-N 3.33Å; A871-Q873 PolarHBondContact O-N 2.92Å; A871-A874 PolarHBondContact O-N 3.35Å; A871-I875 WeakPolarHBondContact O-CG1 3.3Å; A871-I875 PolarHBondContact O-N 2.88Å; A871-T906 HydrophobicContact CB-CG2 3.98Å; A871-L911 HydrophobicContact CB-CD2 4.06Å; A871-E914 HydrophobicContact CB-CB 4.26Å |
| 872 | Q | 91.2 | Very high | 87 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 178.6 | -168.2 | -178.3 | 13.1 | 0 | 0 | 111.7 | H868 T869 I875 H876 E914 | H868-Q872 HydrophobicContact CB-CB 4.24Å; H868-Q872 HydrophobicContact CB-CG 4.38Å; H868-Q872 WeakPolarHBondContact ND1-CG 3.38Å; H868-Q872 PolarHBondContact ND1-NE2 2.8Å; H868-Q872 PolarHBondContact ND1-OE1 2.85Å; T869-Q872 PolarHBondContact O-N 2.88Å; T869-Q872 VanDerWaalsContact OG1-CB 3.29Å; T869-Q872 WeakPolarHBondContact OG1-CB 3.3Å; T869-Q872 PolarHBondContact OG1-N 3.07Å; Q872-I875 PolarHBondContact O-N 3.45Å; Q872-H876 WeakPolarHBondContact O-CB 3.42Å; Q872-H876 PolarHBondContact O-N 3.42Å; Q872-E914 HydrophobicContact CB-CG 4.15Å |
| 873 | Q | 87.2 | Confident | 86.8 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.2 | -169.1 | -174.1 | 22.2 | 0 | 0 | 110.6 | E383 H868 T869 A871 I875 H876 L877 | E383-Q873 PolarHBondContact O-NE2 2.9Å; H868-Q873 HydrophobicContact CB-CB 3.97Å; T869-Q873 WeakPolarHBondContact O-CB 3.45Å; T869-Q873 PolarHBondContact O-N 2.83Å; A871-Q873 VanDerWaalsContact C-N 3.33Å; A871-Q873 PolarHBondContact O-N 2.92Å; Q873-I875 VanDerWaalsContact C-N 3.31Å; Q873-I875 PolarHBondContact O-N 3.27Å; Q873-H876 PolarHBondContact O-N 3.09Å; Q873-H876 VanDerWaalsContact O-N 3.16Å; Q873-L877 HydrophobicContact CG-CD1 4.27Å; Q873-L877 VanDerWaalsContact O-CG 3.24Å; Q873-L877 WeakPolarHBondContact O-CG 3.44Å; Q873-L877 PolarHBondContact O-N 2.78Å |
| 874 | A | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P870 A871 A878 F901 A902 L911 | P870-A874 PolarHBondContact O-N 2.48Å; P870-A874 VanDerWaalsContact O-N 3.13Å; A871-A874 PolarHBondContact O-N 3.35Å; A874-A878 WeakPolarHBondContact O-CB 3.4Å; A874-A878 PolarHBondContact O-N 3.39Å; A874-A878 VanDerWaalsContact O-N 3.11Å; A874-F901 HydrophobicContact CB-CB 4.35Å; A874-A902 HydrophobicContact CB-CB 3.83Å; A874-L911 HydrophobicContact CB-CD2 4.14Å |
| 875 | I | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 173.9 | -67.4 | 161 | 0 | 0 | 0 | 110.5 | A871 Q872 Q873 L877 A878 L879 L894 A898 L911 E914 I915 | A871-I875 WeakPolarHBondContact O-CG1 3.3Å; A871-I875 PolarHBondContact O-N 2.88Å; Q872-I875 PolarHBondContact O-N 3.45Å; Q873-I875 VanDerWaalsContact C-N 3.31Å; Q873-I875 PolarHBondContact O-N 3.27Å; I875-L877 VanDerWaalsContact C-N 3.29Å; I875-L877 PolarHBondContact O-N 2.97Å; I875-A878 PolarHBondContact O-N 3.23Å; I875-A878 VanDerWaalsContact O-N 3.14Å; I875-L879 HydrophobicContact CG2-CD1 4.48Å; I875-L879 WeakPolarHBondContact O-CG 3.47Å; I875-L879 PolarHBondContact O-N 2.83Å; I875-L879 VanDerWaalsContact O-N 3.12Å; I875-L894 HydrophobicContact CG2-CD1 4.24Å; I875-L894 HydrophobicContact CG2-CD2 4.18Å; I875-A898 HydrophobicContact CG1-CB 4.07Å; I875-L911 HydrophobicContact CG1-CD2 4.3Å; I875-E914 HydrophobicContact CD1-CB 3.8Å; I875-E914 HydrophobicContact CD1-CG 3.62Å; I875-I915 HydrophobicContact CD1-CG1 3.65Å; I875-I915 HydrophobicContact CG1-CG1 4.1Å |
| 876 | H | 88.1 | Confident | 85.1 | Confident | 78 Ų | 78 | 31.9 Ų | 31.9 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 179.4 | -174 | 57.7 | 0 | 0 | 0 | 112.4 | E383 Q872 Q873 P880 | E383-H876 IonicContact OE1-CD2 2.78Å; E383-H876 PolarHBondContact OE1-CD2 3.47Å; E383-H876 IonicContact OE1-NE2 3.1Å; E383-H876 PolarHBondContact OE1-NE2 2.85Å; Q872-H876 WeakPolarHBondContact O-CB 3.42Å; Q872-H876 PolarHBondContact O-N 3.42Å; Q873-H876 PolarHBondContact O-N 3.09Å; Q873-H876 VanDerWaalsContact O-N 3.16Å; H876-P880 WeakPolarHBondContact O-CD 3.38Å |
| 877 | L | 84.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.7 | -33 | 175.3 | -67 | 175.5 | 0 | 0 | 0 | 113.6 | Q873 I875 F901 R1282 | Q873-L877 HydrophobicContact CG-CD1 4.27Å; Q873-L877 VanDerWaalsContact O-CG 3.24Å; Q873-L877 WeakPolarHBondContact O-CG 3.44Å; Q873-L877 PolarHBondContact O-N 2.78Å; I875-L877 VanDerWaalsContact C-N 3.29Å; I875-L877 PolarHBondContact O-N 2.97Å; L877-F901 HydrophobicContact CB-CB 4.14Å; L877-F901 HydrophobicContact CB-CD1 4.03Å; L877-F901 HydrophobicContact CB-CD2 4.15Å; L877-F901 HydrophobicContact CB-CE1 4.47Å; L877-F901 HydrophobicContact CB-CG 3.85Å; L877-F901 HydrophobicContact CD1-CB 4.13Å; L877-F901 HydrophobicContact CD1-CD1 4.22Å; L877-F901 HydrophobicContact CD1-CG 4.38Å; L877-R1282 HydrophobicContact CD1-CB 4.46Å; L877-R1282 HydrophobicContact CD2-CB 4.35Å; L877-R1282 HydrophobicContact CD2-CG 4.27Å |
| 878 | A | 88.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.1 | -31.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A874 I875 V881 L882 L894 E897 A898 F901 | A874-A878 WeakPolarHBondContact O-CB 3.4Å; A874-A878 PolarHBondContact O-N 3.39Å; A874-A878 VanDerWaalsContact O-N 3.11Å; I875-A878 PolarHBondContact O-N 3.23Å; I875-A878 VanDerWaalsContact O-N 3.14Å; A878-V881 PolarHBondContact O-N 3.32Å; A878-L882 PolarHBondContact O-N 2.79Å; A878-L894 HydrophobicContact CB-CD1 4.11Å; A878-E897 HydrophobicContact CB-CB 4.11Å; A878-E897 HydrophobicContact CB-CG 4.27Å; A878-A898 HydrophobicContact CB-CB 4.03Å; A878-F901 HydrophobicContact CB-CD2 4.1Å; A878-F901 HydrophobicContact CB-CE2 4.31Å |
| 879 | L | 88.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -53.5 | -175.5 | -79.1 | 170.1 | 0 | 0 | 0 | 113.3 | I875 V881 L882 E883 F889 L894 L924 | I875-L879 HydrophobicContact CG2-CD1 4.48Å; I875-L879 WeakPolarHBondContact O-CG 3.47Å; I875-L879 PolarHBondContact O-N 2.83Å; I875-L879 VanDerWaalsContact O-N 3.12Å; L879-V881 VanDerWaalsContact C-N 3.27Å; L879-V881 PolarHBondContact O-N 3.04Å; L879-L882 PolarHBondContact O-N 2.79Å; L879-L882 VanDerWaalsContact O-N 3.15Å; L879-E883 WeakPolarHBondContact O-CB 3.42Å; L879-E883 WeakPolarHBondContact O-CG 3.44Å; L879-E883 PolarHBondContact O-N 3.48Å; L879-F889 HydrophobicContact CD2-CE1 4.1Å; L879-F889 HydrophobicContact CD2-CE2 3.82Å; L879-F889 HydrophobicContact CD2-CZ 3.25Å; L879-L894 HydrophobicContact CD2-CD1 4.04Å; L879-L894 HydrophobicContact CG-CD1 4.28Å; L879-L924 HydrophobicContact CD1-CD2 4.22Å; L879-L924 HydrophobicContact CD2-CD2 3.98Å |
| 880 | P | 80.2 | Confident | 85.3 | Confident | 50 Ų | 50 | 26.9 Ų | 26.9 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.7 | -36.6 | 179.8 | -25.3 | 33.4 | 0 | 0 | 0 | 113.8 | H876 L882 S884 | H876-P880 WeakPolarHBondContact O-CD 3.38Å; P880-L882 VanDerWaalsContact C-N 3.35Å; P880-L882 PolarHBondContact O-N 3.36Å; P880-S884 WeakPolarHBondContact O-CB 3.49Å; P880-S884 PolarHBondContact O-N 3.07Å |
| 881 | V | 81.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 111 | A878 L879 S884 E897 F901 D1278 | A878-V881 PolarHBondContact O-N 3.32Å; L879-V881 VanDerWaalsContact C-N 3.27Å; L879-V881 PolarHBondContact O-N 3.04Å; V881-S884 PolarHBondContact O-OG 3.07Å; V881-E897 HydrophobicContact CB-CG 4.5Å; V881-E897 HydrophobicContact CG1-CG 4.32Å; V881-F901 HydrophobicContact CG2-CE2 4.36Å; V881-F901 HydrophobicContact CG2-CZ 4.06Å; V881-D1278 WeakPolarHBondContact CG2-O 3.46Å |
| 882 | L | 85.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.7 | -47.2 | 175.9 | -66.2 | 176 | 0 | 0 | 0 | 112.2 | A878 L879 P880 S884 K885 N886 F889 D893 L894 E897 | A878-L882 PolarHBondContact O-N 2.79Å; L879-L882 PolarHBondContact O-N 2.79Å; L879-L882 VanDerWaalsContact O-N 3.15Å; P880-L882 VanDerWaalsContact C-N 3.35Å; P880-L882 PolarHBondContact O-N 3.36Å; L882-S884 PolarHBondContact O-N 3.46Å; L882-K885 WeakPolarHBondContact O-CB 3.46Å; L882-K885 PolarHBondContact O-N 3.33Å; L882-N886 PolarHBondContact O-N 3.24Å; L882-F889 HydrophobicContact CB-CB 4.46Å; L882-F889 HydrophobicContact CB-CD1 4.07Å; L882-F889 HydrophobicContact CB-CG 4.12Å; L882-F889 HydrophobicContact CD1-CD2 4.12Å; L882-F889 HydrophobicContact CD1-CG 4.33Å; L882-D893 HydrophobicContact CD1-CB 4.36Å; L882-D893 HydrophobicContact CD2-CB 4.03Å; L882-L894 HydrophobicContact CD1-CB 4.1Å; L882-L894 HydrophobicContact CD1-CD1 3.83Å; L882-E897 HydrophobicContact CD1-CB 4.15Å; L882-E897 HydrophobicContact CD2-CB 4.06Å; L882-E897 HydrophobicContact CD2-CG 4.21Å; L882-E897 HydrophobicContact CG-CB 4.17Å; L882-E897 HydrophobicContact CG-CG 4.28Å |
| 883 | E | 84.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 25.8 Ų | 25.8 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.7 | -29.6 | 180 | -74.6 | -172.6 | 152 | 0 | 0 | 112.9 | L879 K885 N886 F889 S940 S943 P1115 | L879-E883 WeakPolarHBondContact O-CB 3.42Å; L879-E883 WeakPolarHBondContact O-CG 3.44Å; L879-E883 PolarHBondContact O-N 3.48Å; E883-K885 PolarHBondContact O-N 2.87Å; E883-N886 WeakPolarHBondContact CA-O 3.48Å; E883-N886 CarbonylContact O-C 3.53Å; E883-F889 HydrophobicContact CG-CD1 4.37Å; E883-F889 HydrophobicContact CG-CE1 3.73Å; E883-S940 WeakPolarHBondContact OE1-CB 3.45Å; E883-S940 PolarHBondContact OE1-OG 2.87Å; E883-S943 WeakPolarHBondContact OE1-CB 3.16Å; E883-S943 PolarHBondContact OE1-OG 2.66Å; E883-S943 PolarHBondContact OE2-OG 3.24Å; E883-P1115 HydrophobicContact CB-CB 3.75Å; E883-P1115 HydrophobicContact CB-CG 3.48Å; E883-P1115 VanDerWaalsContact CB-CG 3.48Å |
| 884 | S | 73.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.4 | 173.4 | 74.3 | 0 | 0 | 0 | 0 | 113 | P880 V881 L882 R1277 K1470 | P880-S884 WeakPolarHBondContact O-CB 3.49Å; P880-S884 PolarHBondContact O-N 3.07Å; V881-S884 PolarHBondContact O-OG 3.07Å; L882-S884 PolarHBondContact O-N 3.46Å; S884-R1277 PolarHBondContact OG-NH1 3.44Å; S884-K1470 PolarHBondContact O-NZ 3.15Å |
| 885 | K | 74.3 | Confident | 85.8 | Confident | 105 Ų | 105 | 25.5 Ų | 25.5 | 46% | 0.457 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -59.2 | 175.2 | -63.8 | 179.5 | -176.8 | 168.4 | 0 | 109.5 | L882 E883 R1277 | L882-K885 WeakPolarHBondContact O-CB 3.46Å; L882-K885 PolarHBondContact O-N 3.33Å; E883-K885 PolarHBondContact O-N 2.87Å; K885-R1277 VanDerWaalsContact CE-NH1 3.3Å |
| 886 | N | 77.5 | Confident | 85.5 | Confident | 91 Ų | 91 | 26 Ų | 26 | 49% | 0.487 | 14% | 0.137 | S | C | . | . | trans | -148 | 139.4 | 179.5 | -73.2 | -40.2 | 0 | 0 | 0 | 109.9 | L882 E883 A888 | L882-N886 PolarHBondContact O-N 3.24Å; E883-N886 WeakPolarHBondContact CA-O 3.48Å; E883-N886 CarbonylContact O-C 3.53Å; N886-A888 WeakPolarHBondContact CB-O 3.44Å; N886-A888 PolarHBondContact O-N 3.06Å | ||
| 887 | L | 83.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -62.2 | -28.4 | 176.7 | -88.8 | 165.7 | 0 | 0 | 0 | 113.7 | P1115 G1471 | L887-P1115 HydrophobicContact CD2-CB 4.19Å; L887-G1471 VanDerWaalsContact CD1-O 3.28Å; L887-G1471 WeakPolarHBondContact CD1-O 3.21Å |
| 888 | A | 87.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 22.5 Ų | 22.5 | 12% | 0.124 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -109.7 | 131.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N886 L937 L938 V939 V1476 | N886-A888 WeakPolarHBondContact CB-O 3.44Å; N886-A888 PolarHBondContact O-N 3.06Å; A888-L937 HydrophobicContact CB-CB 4.29Å; A888-L937 HydrophobicContact CB-CD1 4Å; A888-L938 WeakPolarHBondContact CA-O 3.45Å; A888-V939 HydrophobicContact CB-CG2 3.99Å; A888-V1476 HydrophobicContact CB-CG1 4.11Å; A888-V1476 HydrophobicContact CB-CG2 3.88Å |
| 889 | F | 90.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.1 | -176 | 45.3 | -92.4 | 0 | 0 | 0 | 110.1 | L879 L882 E883 L894 L937 L938 | L879-F889 HydrophobicContact CD2-CE1 4.1Å; L879-F889 HydrophobicContact CD2-CE2 3.82Å; L879-F889 HydrophobicContact CD2-CZ 3.25Å; L882-F889 HydrophobicContact CB-CB 4.46Å; L882-F889 HydrophobicContact CB-CD1 4.07Å; L882-F889 HydrophobicContact CB-CG 4.12Å; L882-F889 HydrophobicContact CD1-CD2 4.12Å; L882-F889 HydrophobicContact CD1-CG 4.33Å; E883-F889 HydrophobicContact CG-CD1 4.37Å; E883-F889 HydrophobicContact CG-CE1 3.73Å; F889-L894 HydrophobicContact CD2-CB 4.29Å; F889-L894 HydrophobicContact CE2-CB 4.3Å; F889-L894 HydrophobicContact CE2-CD1 4.42Å; F889-L894 HydrophobicContact CE2-CD2 4.22Å; F889-L937 CarbonylContact O-C 3.58Å; F889-L937 WeakPolarHBondContact O-CA 3.16Å; F889-L938 HydrophobicContact CD2-CB 4.13Å; F889-L938 HydrophobicContact CE2-CB 3.73Å; F889-L938 HydrophobicContact CE2-CD1 4.49Å; F889-L938 HydrophobicContact CZ-CB 4.35Å; F889-L938 PolarHBondContact N-O 2.75Å; F889-L938 VanDerWaalsContact N-O 3.16Å; F889-L938 PolarHBondContact O-N 3.26Å |
| 890 | S | 89.5 | Confident | 85.4 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 158.4 | 179.9 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | N199 V892 D893 L894 | N199-S890 WeakPolarHBondContact OD1-CB 3.35Å; N199-S890 PolarHBondContact OD1-OG 3.19Å; S890-V892 PolarHBondContact O-N 2.53Å; S890-V892 PolarHBondContact OG-N 3.05Å; S890-D893 PolarHBondContact O-N 3.32Å; S890-D893 PolarHBondContact OG-N 2.77Å; S890-L894 PolarHBondContact O-N 2.79Å; S890-L894 VanDerWaalsContact O-N 3.13Å |
| 891 | M | 90.3 | Very high | 85.5 | Confident | 42 Ų | 42 | 23.6 Ų | 23.6 | 21% | 0.207 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -32.3 | 170.1 | -172.7 | 175.9 | -175.4 | 0 | 0 | 112.2 | L894 L895 I915 L938 | M891-L894 PolarHBondContact O-N 3.49Å; M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CB 3.42Å; M891-L895 WeakPolarHBondContact O-CG 3.43Å; M891-L895 PolarHBondContact O-N 3.47Å; M891-I915 HydrophobicContact CE-CB 4.28Å; M891-I915 HydrophobicContact CE-CG2 3.9Å; M891-I915 HydrophobicContact CG-CG2 4.28Å; M891-L938 HydrophobicContact CB-CD1 4.03Å; M891-L938 HydrophobicContact CG-CD1 4.37Å |
| 892 | V | 89.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | Q123 A202 F203 L206 S890 L894 L895 T896 | Q123-V892 HydrophobicContact CB-CG2 3.95Å; A202-V892 HydrophobicContact CB-CG1 3.67Å; F203-V892 HydrophobicContact CD1-CG1 4.02Å; F203-V892 HydrophobicContact CD1-CG2 4.48Å; F203-V892 HydrophobicContact CE1-CB 4.45Å; F203-V892 HydrophobicContact CE1-CG1 4.06Å; F203-V892 HydrophobicContact CE1-CG2 3.75Å; F203-V892 HydrophobicContact CZ-CG2 4.16Å; L206-V892 HydrophobicContact CD1-CB 4.27Å; L206-V892 HydrophobicContact CD1-CG1 3.42Å; L206-V892 VanDerWaalsContact CD1-CG1 3.42Å; L206-V892 HydrophobicContact CD1-CG2 4.18Å; L206-V892 HydrophobicContact CG-CG1 4.04Å; S890-V892 PolarHBondContact O-N 2.53Å; S890-V892 PolarHBondContact OG-N 3.05Å; V892-L894 VanDerWaalsContact C-N 3.33Å; V892-L894 PolarHBondContact O-N 3.41Å; V892-L895 PolarHBondContact O-N 3.41Å; V892-T896 WeakPolarHBondContact O-CG2 3.46Å; V892-T896 PolarHBondContact O-N 2.86Å; V892-T896 PolarHBondContact O-OG1 3Å |
| 893 | D | 88.6 | Confident | 85 | Confident | 46 Ų | 46 | 25 Ų | 25 | 25% | 0.246 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 172 | -82.7 | -32.6 | 0 | 0 | 0 | 110.7 | A202 L882 S890 T896 E897 | A202-D893 VanDerWaalsContact CB-OD1 3.25Å; A202-D893 WeakPolarHBondContact CB-OD1 3.36Å; L882-D893 HydrophobicContact CD1-CB 4.36Å; L882-D893 HydrophobicContact CD2-CB 4.03Å; S890-D893 PolarHBondContact O-N 3.32Å; S890-D893 PolarHBondContact OG-N 2.77Å; D893-T896 PolarHBondContact O-N 2.83Å; D893-T896 PolarHBondContact O-OG1 3.06Å; D893-E897 WeakPolarHBondContact O-CB 3.29Å; D893-E897 PolarHBondContact O-N 3.07Å |
| 894 | L | 92.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.7 | -173.2 | 60.3 | 0 | 0 | 0 | 112.7 | I875 A878 L879 L882 F889 S890 M891 V892 T896 A898 I915 L924 L938 | I875-L894 HydrophobicContact CG2-CD1 4.24Å; I875-L894 HydrophobicContact CG2-CD2 4.18Å; A878-L894 HydrophobicContact CB-CD1 4.11Å; L879-L894 HydrophobicContact CD2-CD1 4.04Å; L879-L894 HydrophobicContact CG-CD1 4.28Å; L882-L894 HydrophobicContact CD1-CB 4.1Å; L882-L894 HydrophobicContact CD1-CD1 3.83Å; F889-L894 HydrophobicContact CD2-CB 4.29Å; F889-L894 HydrophobicContact CE2-CB 4.3Å; F889-L894 HydrophobicContact CE2-CD1 4.42Å; F889-L894 HydrophobicContact CE2-CD2 4.22Å; S890-L894 PolarHBondContact O-N 2.79Å; S890-L894 VanDerWaalsContact O-N 3.13Å; M891-L894 PolarHBondContact O-N 3.49Å; V892-L894 VanDerWaalsContact C-N 3.33Å; V892-L894 PolarHBondContact O-N 3.41Å; L894-T896 PolarHBondContact O-N 2.85Å; L894-A898 WeakPolarHBondContact O-CB 3.46Å; L894-A898 PolarHBondContact O-N 3.15Å; L894-I915 HydrophobicContact CB-CD1 4.36Å; L894-I915 HydrophobicContact CD2-CD1 3.83Å; L894-I915 HydrophobicContact CD2-CG1 3.85Å; L894-I915 HydrophobicContact CD2-CG2 4.31Å; L894-I915 HydrophobicContact CG-CD1 3.89Å; L894-I915 HydrophobicContact CG-CG1 4.36Å; L894-L924 HydrophobicContact CD2-CD1 3.76Å; L894-L938 HydrophobicContact CD2-CD1 3.98Å |
| 895 | L | 91.4 | Very high | 84.3 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 177.5 | -79.9 | 167.9 | 0 | 0 | 0 | 112.1 | L206 M891 V892 K899 F908 L911 I915 | L206-L895 HydrophobicContact CD2-CB 4.09Å; M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CB 3.42Å; M891-L895 WeakPolarHBondContact O-CG 3.43Å; M891-L895 PolarHBondContact O-N 3.47Å; V892-L895 PolarHBondContact O-N 3.41Å; L895-K899 WeakPolarHBondContact O-CB 3.41Å; L895-K899 PolarHBondContact O-N 3.38Å; L895-F908 HydrophobicContact CB-CD1 4.4Å; L895-F908 HydrophobicContact CD2-CD1 4.49Å; L895-L911 HydrophobicContact CD2-CB 3.94Å; L895-I915 HydrophobicContact CD2-CD1 3.63Å; L895-I915 HydrophobicContact CG-CD1 3.77Å |
| 896 | T | 87.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -42.9 | -177.5 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | A202 R205 L206 V892 D893 L894 S900 | A202-T896 WeakPolarHBondContact O-CG2 3.36Å; R205-T896 HydrophobicContact CB-CG2 3.81Å; L206-T896 HydrophobicContact CB-CG2 4.35Å; L206-T896 HydrophobicContact CD2-CG2 3.49Å; L206-T896 VanDerWaalsContact CD2-CG2 3.49Å; L206-T896 HydrophobicContact CG-CG2 3.47Å; L206-T896 VanDerWaalsContact CG-CG2 3.47Å; V892-T896 WeakPolarHBondContact O-CG2 3.46Å; V892-T896 PolarHBondContact O-N 2.86Å; V892-T896 PolarHBondContact O-OG1 3Å; D893-T896 PolarHBondContact O-N 2.83Å; D893-T896 PolarHBondContact O-OG1 3.06Å; L894-T896 PolarHBondContact O-N 2.85Å; T896-S900 PolarHBondContact O-N 3.21Å |
| 897 | E | 87.2 | Confident | 85.1 | Confident | 11 Ų | 11 | 25.4 Ų | 25.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -39.9 | -179.3 | -155.9 | 66 | -156 | 0 | 0 | 110.4 | R205 A878 V881 L882 D893 K899 S900 F901 R1283 | R205-E897 IonicContact NH1-OE2 3.85Å; R205-E897 PolarHBondContact NH1-OE2 3.18Å; A878-E897 HydrophobicContact CB-CB 4.11Å; A878-E897 HydrophobicContact CB-CG 4.27Å; V881-E897 HydrophobicContact CB-CG 4.5Å; V881-E897 HydrophobicContact CG1-CG 4.32Å; L882-E897 HydrophobicContact CD1-CB 4.15Å; L882-E897 HydrophobicContact CD2-CB 4.06Å; L882-E897 HydrophobicContact CD2-CG 4.21Å; L882-E897 HydrophobicContact CG-CB 4.17Å; L882-E897 HydrophobicContact CG-CG 4.28Å; D893-E897 WeakPolarHBondContact O-CB 3.29Å; D893-E897 PolarHBondContact O-N 3.07Å; E897-K899 PolarHBondContact O-N 2.85Å; E897-S900 WeakPolarHBondContact O-CB 3.41Å; E897-S900 PolarHBondContact O-N 3.36Å; E897-S900 VanDerWaalsContact O-N 3.11Å; E897-S900 PolarHBondContact O-OG 2.72Å; E897-F901 HydrophobicContact CG-CE2 4.27Å; E897-F901 VanDerWaalsContact O-CD2 3.25Å; E897-F901 WeakPolarHBondContact O-CD2 3.47Å; E897-R1283 IonicContact OE1-NH1 3.31Å |
| 898 | A | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I875 A878 L894 S900 F901 A902 L911 | I875-A898 HydrophobicContact CG1-CB 4.07Å; A878-A898 HydrophobicContact CB-CB 4.03Å; L894-A898 WeakPolarHBondContact O-CB 3.46Å; L894-A898 PolarHBondContact O-N 3.15Å; A898-S900 PolarHBondContact O-N 3.12Å; A898-S900 VanDerWaalsContact O-N 3.15Å; A898-F901 PolarHBondContact O-N 3.22Å; A898-A902 PolarHBondContact O-N 3.22Å; A898-A902 VanDerWaalsContact O-N 3.07Å; A898-L911 HydrophobicContact CB-CD1 4.39Å; A898-L911 HydrophobicContact CB-CD2 4.24Å |
| 899 | K | 87.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 28.4 Ų | 28.4 | 15% | 0.148 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -28.8 | 176.6 | -175.1 | 64.4 | -175.1 | 75 | 0 | 112.6 | E209 L895 E897 F901 A902 T906 F908 L911 | E209-K899 HydrophobicContact CG-CG 3.78Å; L895-K899 WeakPolarHBondContact O-CB 3.41Å; L895-K899 PolarHBondContact O-N 3.38Å; E897-K899 PolarHBondContact O-N 2.85Å; K899-F901 VanDerWaalsContact C-N 3.29Å; K899-F901 PolarHBondContact O-N 3.46Å; K899-A902 PolarHBondContact O-N 3.34Å; K899-T906 WeakPolarHBondContact CE-O 3.45Å; K899-F908 HydrophobicContact CB-CD1 4.39Å; K899-F908 HydrophobicContact CB-CE1 3.64Å; K899-F908 HydrophobicContact CB-CZ 3.87Å; K899-F908 HydrophobicContact CD-CE2 4.48Å; K899-F908 HydrophobicContact CD-CZ 4.38Å; K899-F908 HydrophobicContact CG-CE1 3.91Å; K899-F908 HydrophobicContact CG-CE2 4.13Å; K899-F908 HydrophobicContact CG-CZ 3.66Å; K899-L911 HydrophobicContact CB-CD1 3.91Å; K899-L911 HydrophobicContact CD-CD1 4Å |
| 900 | S | 81.7 | Confident | 85.3 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.4 | -19.7 | 177.6 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | T896 E897 A898 | T896-S900 PolarHBondContact O-N 3.21Å; E897-S900 WeakPolarHBondContact O-CB 3.41Å; E897-S900 PolarHBondContact O-N 3.36Å; E897-S900 VanDerWaalsContact O-N 3.11Å; E897-S900 PolarHBondContact O-OG 2.72Å; A898-S900 PolarHBondContact O-N 3.12Å; A898-S900 VanDerWaalsContact O-N 3.15Å |
| 901 | F | 82.1 | Confident | 85.5 | Confident | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -101.4 | -11.4 | 174.7 | -66.8 | -75.9 | 0 | 0 | 0 | 113.4 | A874 L877 A878 V881 E897 A898 K899 G1279 R1282 R1283 | A874-F901 HydrophobicContact CB-CB 4.35Å; L877-F901 HydrophobicContact CB-CB 4.14Å; L877-F901 HydrophobicContact CB-CD1 4.03Å; L877-F901 HydrophobicContact CB-CD2 4.15Å; L877-F901 HydrophobicContact CB-CE1 4.47Å; L877-F901 HydrophobicContact CB-CG 3.85Å; L877-F901 HydrophobicContact CD1-CB 4.13Å; L877-F901 HydrophobicContact CD1-CD1 4.22Å; L877-F901 HydrophobicContact CD1-CG 4.38Å; A878-F901 HydrophobicContact CB-CD2 4.1Å; A878-F901 HydrophobicContact CB-CE2 4.31Å; V881-F901 HydrophobicContact CG2-CE2 4.36Å; V881-F901 HydrophobicContact CG2-CZ 4.06Å; E897-F901 HydrophobicContact CG-CE2 4.27Å; E897-F901 VanDerWaalsContact O-CD2 3.25Å; E897-F901 WeakPolarHBondContact O-CD2 3.47Å; A898-F901 PolarHBondContact O-N 3.22Å; K899-F901 VanDerWaalsContact C-N 3.29Å; K899-F901 PolarHBondContact O-N 3.46Å; F901-G1279 WeakPolarHBondContact CE1-O 3.39Å; F901-R1282 HydrophobicContact CE1-CB 4.45Å; F901-R1283 HydrophobicContact CD1-CB 4.06Å; F901-R1283 HydrophobicContact CE1-CB 3.76Å |
| 902 | A | 81.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -73.5 | 150.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A874 A898 K899 T906 L911 | A874-A902 HydrophobicContact CB-CB 3.83Å; A898-A902 PolarHBondContact O-N 3.22Å; A898-A902 VanDerWaalsContact O-N 3.07Å; K899-A902 PolarHBondContact O-N 3.34Å; A902-T906 HydrophobicContact CB-CG2 4.36Å; A902-L911 HydrophobicContact CB-CD1 4.45Å |
| 903 | A | 73.3 | Confident | 85.8 | Confident | 23 Ų | 23 | 32.4 Ų | 32.4 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 153.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | G905 T906 | A903-G905 PolarHBondContact O-N 3.32Å; A903-T906 WeakPolarHBondContact CB-OG1 3.24Å; A903-T906 PolarHBondContact N-OG1 3.21Å; A903-T906 WeakPolarHBondContact O-CB 3.4Å; A903-T906 PolarHBondContact O-N 3.33Å; A903-T906 PolarHBondContact O-OG1 2.91Å |
| 904 | E | 71 | Confident | 86.2 | Confident | 143 Ų | 143 | 31.7 Ų | 31.7 | 67% | 0.668 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 134.8 | 163.1 | -66.4 | -176.3 | 170.3 | 0 | 0 | 109.9 | ||
| 905 | G | 72.6 | Confident | 86.3 | Confident | 82 Ų | 82 | 31.7 Ų | 31.7 | 85% | 0.845 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -15.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A903 G907 | A903-G905 PolarHBondContact O-N 3.32Å; G905-G907 PolarHBondContact O-N 2.77Å |
| 906 | T | 83.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | trans | -80.1 | 105.5 | 175.4 | -29.9 | 0 | 0 | 0 | 0 | 109.9 | A871 K899 A902 A903 D910 L911 | A871-T906 HydrophobicContact CB-CG2 3.98Å; K899-T906 WeakPolarHBondContact CE-O 3.45Å; A902-T906 HydrophobicContact CB-CG2 4.36Å; A903-T906 WeakPolarHBondContact CB-OG1 3.24Å; A903-T906 PolarHBondContact N-OG1 3.21Å; A903-T906 WeakPolarHBondContact O-CB 3.4Å; A903-T906 PolarHBondContact O-N 3.33Å; A903-T906 PolarHBondContact O-OG1 2.91Å; T906-D910 HydrophobicContact CG2-CB 4.2Å; T906-L911 HydrophobicContact CG2-CD2 4.26Å; T906-L911 HydrophobicContact CG2-CG 4.35Å | ||
| 907 | G | 85.5 | Confident | 86.7 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | trans | -81.5 | 166 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G905 A909 D910 L911 | G905-G907 PolarHBondContact O-N 2.77Å; G907-A909 PolarHBondContact O-N 2.93Å; G907-D910 PolarHBondContact N-OD2 2.81Å; G907-D910 VanDerWaalsContact N-OD2 3.08Å; G907-D910 PolarHBondContact O-N 2.93Å; G907-L911 PolarHBondContact O-N 3.39Å | ||
| 908 | F | 88 | Confident | 87.1 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -27.3 | 170.8 | -77.3 | -70.7 | 0 | 0 | 0 | 113.2 | F119 L206 E209 K210 L895 K899 G912 | F119-F908 HydrophobicContact CE1-CB 4.15Å; F119-F908 HydrophobicContact CE1-CD2 4.22Å; F119-F908 HydrophobicContact CE1-CG 4.05Å; F119-F908 HydrophobicContact CE2-CB 4.21Å; F119-F908 HydrophobicContact CZ-CB 3.55Å; F119-F908 HydrophobicContact CZ-CD1 4.47Å; F119-F908 HydrophobicContact CZ-CD2 4.45Å; F119-F908 AromaticContact CZ-CG 3.94Å; F119-F908 HydrophobicContact CZ-CG 3.94Å; L206-F908 HydrophobicContact CD2-CD1 3.98Å; L206-F908 HydrophobicContact CD2-CE1 3.56Å; L206-F908 HydrophobicContact CD2-CZ 4.05Å; E209-F908 HydrophobicContact CB-CE2 3.84Å; E209-F908 HydrophobicContact CB-CZ 3.75Å; E209-F908 HydrophobicContact CG-CE2 3.87Å; E209-F908 HydrophobicContact CG-CZ 3.78Å; K210-F908 HydrophobicContact CB-CD2 4.45Å; K210-F908 HydrophobicContact CB-CE2 4.35Å; K210-F908 HydrophobicContact CD-CD2 4.35Å; L895-F908 HydrophobicContact CB-CD1 4.4Å; L895-F908 HydrophobicContact CD2-CD1 4.49Å; K899-F908 HydrophobicContact CB-CD1 4.39Å; K899-F908 HydrophobicContact CB-CE1 3.64Å; K899-F908 HydrophobicContact CB-CZ 3.87Å; K899-F908 HydrophobicContact CD-CE2 4.48Å; K899-F908 HydrophobicContact CD-CZ 4.38Å; K899-F908 HydrophobicContact CG-CE1 3.91Å; K899-F908 HydrophobicContact CG-CE2 4.13Å; K899-F908 HydrophobicContact CG-CZ 3.66Å; F908-G912 PolarHBondContact O-N 3.02Å |
| 909 | A | 86.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 38.1 Ų | 38.1 | 66% | 0.661 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G907 G912 G913 | G907-A909 PolarHBondContact O-N 2.93Å; A909-G912 PolarHBondContact O-N 2.67Å; A909-G913 PolarHBondContact O-N 3.14Å |
| 910 | D | 91 | Very high | 87.5 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 178.6 | -53.6 | -45.6 | 0 | 0 | 0 | 110.9 | T906 G907 G913 E914 | T906-D910 HydrophobicContact CG2-CB 4.2Å; G907-D910 PolarHBondContact N-OD2 2.81Å; G907-D910 VanDerWaalsContact N-OD2 3.08Å; G907-D910 PolarHBondContact O-N 2.93Å; D910-G913 PolarHBondContact O-N 2.9Å; D910-E914 WeakPolarHBondContact O-CB 3.17Å; D910-E914 PolarHBondContact O-N 3Å |
| 911 | L | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.8 | -66 | 172.6 | 0 | 0 | 0 | 111.2 | A871 A874 I875 L895 A898 K899 A902 T906 G907 G913 E914 I915 | A871-L911 HydrophobicContact CB-CD2 4.06Å; A874-L911 HydrophobicContact CB-CD2 4.14Å; I875-L911 HydrophobicContact CG1-CD2 4.3Å; L895-L911 HydrophobicContact CD2-CB 3.94Å; A898-L911 HydrophobicContact CB-CD1 4.39Å; A898-L911 HydrophobicContact CB-CD2 4.24Å; K899-L911 HydrophobicContact CB-CD1 3.91Å; K899-L911 HydrophobicContact CD-CD1 4Å; A902-L911 HydrophobicContact CB-CD1 4.45Å; T906-L911 HydrophobicContact CG2-CD2 4.26Å; T906-L911 HydrophobicContact CG2-CG 4.35Å; G907-L911 PolarHBondContact O-N 3.39Å; L911-G913 VanDerWaalsContact C-N 3.35Å; L911-G913 PolarHBondContact O-N 3.06Å; L911-E914 PolarHBondContact O-N 2.94Å; L911-I915 VanDerWaalsContact O-CG1 3.24Å; L911-I915 WeakPolarHBondContact O-CG1 3.5Å; L911-I915 PolarHBondContact O-N 3.2Å |
| 912 | G | 92.2 | Very high | 88.3 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F908 A909 N916 | F908-G912 PolarHBondContact O-N 3.02Å; A909-G912 PolarHBondContact O-N 2.67Å; G912-N916 WeakPolarHBondContact O-CB 3.47Å; G912-N916 VanDerWaalsContact O-CG 3.27Å; G912-N916 PolarHBondContact O-N 3.46Å; G912-N916 PolarHBondContact O-ND2 3.16Å; G912-N916 VanDerWaalsContact O-ND2 3.11Å |
| 913 | G | 94.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A909 D910 L911 N916 A917 | A909-G913 PolarHBondContact O-N 3.14Å; D910-G913 PolarHBondContact O-N 2.9Å; L911-G913 VanDerWaalsContact C-N 3.35Å; L911-G913 PolarHBondContact O-N 3.06Å; G913-N916 PolarHBondContact O-N 2.96Å; G913-A917 WeakPolarHBondContact O-CB 3.47Å; G913-A917 PolarHBondContact O-N 2.98Å |
| 914 | E | 95.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 178.7 | -176.9 | 56.5 | -148.4 | 0 | 0 | 112.5 | A871 Q872 I875 D910 L911 N916 A917 Q918 R921 | A871-E914 HydrophobicContact CB-CB 4.26Å; Q872-E914 HydrophobicContact CB-CG 4.15Å; I875-E914 HydrophobicContact CD1-CB 3.8Å; I875-E914 HydrophobicContact CD1-CG 3.62Å; D910-E914 WeakPolarHBondContact O-CB 3.17Å; D910-E914 PolarHBondContact O-N 3Å; L911-E914 PolarHBondContact O-N 2.94Å; E914-N916 VanDerWaalsContact C-N 3.33Å; E914-N916 PolarHBondContact O-N 3.23Å; E914-A917 WeakPolarHBondContact O-CB 3.34Å; E914-A917 PolarHBondContact O-N 2.9Å; E914-Q918 WeakPolarHBondContact O-CG 3.46Å; E914-Q918 PolarHBondContact O-N 2.81Å; E914-Q918 PolarHBondContact OE1-NE2 2.77Å; E914-R921 IonicContact OE1-CZ 3.13Å; E914-R921 IonicContact OE1-NH1 3.37Å; E914-R921 IonicContact OE1-NH2 3.54Å; E914-R921 PolarHBondContact OE1-NH2 3.39Å |
| 915 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 172.3 | -69.3 | 166.5 | 0 | 0 | 0 | 109.7 | I875 M891 L894 L895 L911 A917 Q918 I919 L924 L938 | I875-I915 HydrophobicContact CD1-CG1 3.65Å; I875-I915 HydrophobicContact CG1-CG1 4.1Å; M891-I915 HydrophobicContact CE-CB 4.28Å; M891-I915 HydrophobicContact CE-CG2 3.9Å; M891-I915 HydrophobicContact CG-CG2 4.28Å; L894-I915 HydrophobicContact CB-CD1 4.36Å; L894-I915 HydrophobicContact CD2-CD1 3.83Å; L894-I915 HydrophobicContact CD2-CG1 3.85Å; L894-I915 HydrophobicContact CD2-CG2 4.31Å; L894-I915 HydrophobicContact CG-CD1 3.89Å; L894-I915 HydrophobicContact CG-CG1 4.36Å; L895-I915 HydrophobicContact CD2-CD1 3.63Å; L895-I915 HydrophobicContact CG-CD1 3.77Å; L911-I915 VanDerWaalsContact O-CG1 3.24Å; L911-I915 WeakPolarHBondContact O-CG1 3.5Å; L911-I915 PolarHBondContact O-N 3.2Å; I915-A917 VanDerWaalsContact C-N 3.29Å; I915-A917 PolarHBondContact O-N 2.89Å; I915-Q918 PolarHBondContact O-N 2.81Å; I915-I919 HydrophobicContact CG2-CD1 3.93Å; I915-I919 HydrophobicContact CG2-CG1 4.46Å; I915-I919 VanDerWaalsContact O-CG1 3.32Å; I915-I919 WeakPolarHBondContact O-CG1 3.46Å; I915-I919 PolarHBondContact O-N 2.77Å; I915-L924 HydrophobicContact CG2-CD1 4.1Å; I915-L938 HydrophobicContact CG2-CD1 4.19Å |
| 916 | N | 93.9 | Very high | 91.5 | Very high | 74 Ų | 74 | 46 Ų | 46 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.7 | -73.7 | -32.9 | 0 | 0 | 0 | 112.3 | G912 G913 E914 I919 K920 | G912-N916 WeakPolarHBondContact O-CB 3.47Å; G912-N916 VanDerWaalsContact O-CG 3.27Å; G912-N916 PolarHBondContact O-N 3.46Å; G912-N916 PolarHBondContact O-ND2 3.16Å; G912-N916 VanDerWaalsContact O-ND2 3.11Å; G913-N916 PolarHBondContact O-N 2.96Å; E914-N916 VanDerWaalsContact C-N 3.33Å; E914-N916 PolarHBondContact O-N 3.23Å; N916-I919 PolarHBondContact O-N 3.08Å; N916-K920 WeakPolarHBondContact O-CG 3.33Å; N916-K920 PolarHBondContact O-N 2.92Å |
| 917 | A | 94.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G913 E914 I915 K920 R921 | G913-A917 WeakPolarHBondContact O-CB 3.47Å; G913-A917 PolarHBondContact O-N 2.98Å; E914-A917 WeakPolarHBondContact O-CB 3.34Å; E914-A917 PolarHBondContact O-N 2.9Å; I915-A917 VanDerWaalsContact C-N 3.29Å; I915-A917 PolarHBondContact O-N 2.89Å; A917-K920 PolarHBondContact O-N 3.14Å; A917-R921 WeakPolarHBondContact O-CG 3.34Å; A917-R921 PolarHBondContact O-N 3.21Å |
| 918 | Q | 94.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.1 | -75.9 | -179 | 31.2 | 0 | 0 | 112.6 | E914 I915 R921 G922 D923 L924 | E914-Q918 WeakPolarHBondContact O-CG 3.46Å; E914-Q918 PolarHBondContact O-N 2.81Å; E914-Q918 PolarHBondContact OE1-NE2 2.77Å; I915-Q918 PolarHBondContact O-N 2.81Å; Q918-R921 VanDerWaalsContact CG-NH2 3.33Å; Q918-G922 CarbonylContact O-C 3.52Å; Q918-G922 WeakPolarHBondContact O-CA 3.49Å; Q918-G922 PolarHBondContact O-N 2.85Å; Q918-D923 HydrophobicContact CB-CB 4.01Å; Q918-D923 HydrophobicContact CG-CB 4.15Å; Q918-D923 PolarHBondContact O-N 2.97Å; Q918-L924 HydrophobicContact CB-CB 4.35Å; Q918-L924 HydrophobicContact CB-CD1 3.88Å; Q918-L924 HydrophobicContact CB-CG 3.95Å; Q918-L924 PolarHBondContact O-N 2.77Å |
| 919 | I | 93.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 172 | -66.3 | 165.5 | 0 | 0 | 0 | 110.2 | I915 N916 R921 G922 L924 L938 | I915-I919 HydrophobicContact CG2-CD1 3.93Å; I915-I919 HydrophobicContact CG2-CG1 4.46Å; I915-I919 VanDerWaalsContact O-CG1 3.32Å; I915-I919 WeakPolarHBondContact O-CG1 3.46Å; I915-I919 PolarHBondContact O-N 2.77Å; N916-I919 PolarHBondContact O-N 3.08Å; I919-R921 PolarHBondContact O-N 2.81Å; I919-G922 WeakPolarHBondContact O-CA 3.48Å; I919-G922 PolarHBondContact O-N 2.91Å; I919-L924 WeakPolarHBondContact CA-O 3.29Å; I919-L924 HydrophobicContact CG1-CB 4.05Å; I919-L938 HydrophobicContact CD1-CD2 3.68Å; I919-L938 HydrophobicContact CG1-CD2 3.9Å |
| 920 | K | 94.2 | Very high | 91.1 | Very high | 186 Ų | 186 | 47.9 Ų | 47.9 | 81% | 0.809 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64 | -38.8 | 178.5 | -73.7 | 176.7 | -178.4 | -176.9 | 0 | 113.4 | N916 A917 | N916-K920 WeakPolarHBondContact O-CG 3.33Å; N916-K920 PolarHBondContact O-N 2.92Å; A917-K920 PolarHBondContact O-N 3.14Å |
| 921 | R | 91.8 | Very high | 90.3 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 48% | 0.475 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.2 | -16.8 | 173.3 | -67.5 | -171.1 | -58.7 | -114.1 | -0.8 | 112.5 | E914 A917 Q918 I919 D923 | E914-R921 IonicContact OE1-CZ 3.13Å; E914-R921 IonicContact OE1-NH1 3.37Å; E914-R921 IonicContact OE1-NH2 3.54Å; E914-R921 PolarHBondContact OE1-NH2 3.39Å; A917-R921 WeakPolarHBondContact O-CG 3.34Å; A917-R921 PolarHBondContact O-N 3.21Å; Q918-R921 VanDerWaalsContact CG-NH2 3.33Å; I919-R921 PolarHBondContact O-N 2.81Å; R921-D923 IonicContact CZ-OD2 3.65Å; R921-D923 IonicContact NE-OD2 3.82Å; R921-D923 PolarHBondContact NE-OD2 3.4Å; R921-D923 IonicContact NH2-OD2 3.57Å |
| 922 | G | 89.3 | Confident | 89.4 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 6.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q918 I919 L924 R941 | Q918-G922 CarbonylContact O-C 3.52Å; Q918-G922 WeakPolarHBondContact O-CA 3.49Å; Q918-G922 PolarHBondContact O-N 2.85Å; I919-G922 WeakPolarHBondContact O-CA 3.48Å; I919-G922 PolarHBondContact O-N 2.91Å; G922-L924 PolarHBondContact O-N 2.78Å; G922-R941 PolarHBondContact O-NE 2.81Å; G922-R941 PolarHBondContact O-NH2 2.82Å |
| 923 | D | 88.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -59.3 | -33 | 173.2 | -60.2 | -38.1 | 0 | 0 | 0 | 111.5 | Q918 R921 R941 | Q918-D923 HydrophobicContact CB-CB 4.01Å; Q918-D923 HydrophobicContact CG-CB 4.15Å; Q918-D923 PolarHBondContact O-N 2.97Å; R921-D923 IonicContact CZ-OD2 3.65Å; R921-D923 IonicContact NE-OD2 3.82Å; R921-D923 PolarHBondContact NE-OD2 3.4Å; R921-D923 IonicContact NH2-OD2 3.57Å; D923-R941 WeakPolarHBondContact O-CB 3.43Å; D923-R941 PolarHBondContact O-N 2.87Å |
| 924 | L | 92.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.1 | 168 | -66.2 | 174.6 | 0 | 0 | 0 | 108.6 | L879 L894 I915 Q918 I919 G922 | L879-L924 HydrophobicContact CD1-CD2 4.22Å; L879-L924 HydrophobicContact CD2-CD2 3.98Å; L894-L924 HydrophobicContact CD2-CD1 3.76Å; I915-L924 HydrophobicContact CG2-CD1 4.1Å; Q918-L924 HydrophobicContact CB-CB 4.35Å; Q918-L924 HydrophobicContact CB-CD1 3.88Å; Q918-L924 HydrophobicContact CB-CG 3.95Å; Q918-L924 PolarHBondContact O-N 2.77Å; I919-L924 WeakPolarHBondContact CA-O 3.29Å; I919-L924 HydrophobicContact CG1-CB 4.05Å; G922-L924 PolarHBondContact O-N 2.78Å |
| 925 | L | 92.1 | Very high | 87.7 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.183 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.3 | 179.6 | -61.5 | 168.2 | 0 | 0 | 0 | 108.7 | L938 V939 Y944 F1477 | L925-L938 WeakPolarHBondContact O-CA 3.23Å; L925-V939 PolarHBondContact N-O 2.83Å; L925-V939 PolarHBondContact O-N 2.87Å; L925-Y944 HydrophobicContact CD1-CD1 3.78Å; L925-Y944 HydrophobicContact CD1-CG 3.9Å; L925-F1477 HydrophobicContact CB-CE1 3.76Å; L925-F1477 HydrophobicContact CB-CE2 4.13Å; L925-F1477 HydrophobicContact CB-CZ 3.22Å; L925-F1477 HydrophobicContact CD1-CE1 4.42Å; L925-F1477 HydrophobicContact CD1-CE2 3.9Å; L925-F1477 HydrophobicContact CD1-CZ 3.76Å; L925-F1477 HydrophobicContact CG-CZ 4.12Å |
| 926 | Y | 91 | Very high | 87.2 | Confident | 99 Ų | 99 | 51 Ų | 51 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.3 | -179.5 | -177.7 | -109.6 | 0 | 0 | 0 | 111.3 | D928 L938 | Y926-D928 WeakPolarHBondContact CD1-OD1 3.4Å; Y926-D928 WeakPolarHBondContact CE1-OD1 3.48Å; Y926-L938 HydrophobicContact CD2-CD2 3.75Å; Y926-L938 HydrophobicContact CG-CD2 4.47Å |
| 927 | V | 87.5 | Confident | 86.9 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 110.3 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | A930 L937 V1476 F1477 | V927-A930 HydrophobicContact CG1-CB 4.01Å; V927-L937 PolarHBondContact N-O 2.64Å; V927-L937 PolarHBondContact O-N 2.8Å; V927-V1476 HydrophobicContact CB-CG1 4.39Å; V927-V1476 HydrophobicContact CG1-CG1 4.35Å; V927-V1476 HydrophobicContact CG2-CG1 4.16Å; V927-F1477 HydrophobicContact CG2-CD1 3.6Å; V927-F1477 HydrophobicContact CG2-CE1 3.11Å; V927-F1477 HydrophobicContact CG2-CE2 4.44Å; V927-F1477 HydrophobicContact CG2-CG 4.39Å; V927-F1477 HydrophobicContact CG2-CZ 3.54Å |
| 928 | D | 84.8 | Confident | 86.8 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | -53.7 | -177.6 | -60.3 | 13.4 | 0 | 0 | 0 | 111.7 | L142 Y926 T935 G936 | L142-D928 HydrophobicContact CD1-CB 4.16Å; L142-D928 WeakPolarHBondContact CD1-O 3.5Å; Y926-D928 WeakPolarHBondContact CD1-OD1 3.4Å; Y926-D928 WeakPolarHBondContact CE1-OD1 3.48Å; D928-T935 CarbonylContact O-C 3.6Å; D928-T935 VanDerWaalsContact O-CA 3.22Å; D928-T935 WeakPolarHBondContact O-CA 3.43Å; D928-T935 WeakPolarHBondContact O-CB 3.44Å; D928-G936 PolarHBondContact O-N 3Å |
| 929 | V | 82.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 114.4 | -175.7 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | T140 L142 T190 T935 | T140-V929 WeakPolarHBondContact O-CG2 3.43Å; L142-V929 HydrophobicContact CG-CG2 4.49Å; T190-V929 HydrophobicContact CG2-CG1 3.75Å; V929-T935 HydrophobicContact CB-CG2 4.5Å; V929-T935 HydrophobicContact CG1-CG2 4.29Å; V929-T935 HydrophobicContact CG2-CG2 4.06Å |
| 930 | A | 80.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 103.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V927 G932 Y933 G934 L937 V1476 | V927-A930 HydrophobicContact CG1-CB 4.01Å; A930-G932 PolarHBondContact O-N 3.46Å; A930-Y933 HydrophobicContact CB-CD2 4.22Å; A930-Y933 PolarHBondContact O-N 3.1Å; A930-G934 PolarHBondContact N-O 2.97Å; A930-G934 PolarHBondContact O-N 3.2Å; A930-L937 HydrophobicContact CB-CD1 3.85Å; A930-V1476 HydrophobicContact CB-CG1 3.85Å |
| 931 | K | 74.9 | Confident | 86 | Confident | 120 Ų | 120 | 39.7 Ų | 39.7 | 52% | 0.522 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 123.8 | 179.7 | -74.8 | -179.8 | -178.5 | 169.8 | 0 | 110.3 | T190 | T190-K931 HydrophobicContact CG2-CG 4.45Š|
| 932 | G | 73.7 | Confident | 85.7 | Confident | 31 Ų | 31 | 37 Ų | 37 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -19.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G188 A930 | G188-G932 CarbonylContact O-C 3.54Å; G188-G932 VanDerWaalsContact O-CA 3.26Å; G188-G932 WeakPolarHBondContact O-CA 3.33Å; G188-G932 PolarHBondContact O-N 3.28Å; A930-G932 PolarHBondContact O-N 3.46Å |
| 933 | Y | 78 | Confident | 85.5 | Confident | 83 Ų | 83 | 36.9 Ų | 36.9 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -50.7 | -173.9 | -63.7 | -77.9 | 0 | 0 | 0 | 112.7 | A930 G1471 D1475 V1476 | A930-Y933 HydrophobicContact CB-CD2 4.22Å; A930-Y933 PolarHBondContact O-N 3.1Å; Y933-G1471 VanDerWaalsContact OH-CA 3.25Å; Y933-G1471 WeakPolarHBondContact OH-CA 3.37Å; Y933-D1475 HydrophobicContact CE2-CB 4.19Å; Y933-D1475 WeakPolarHBondContact CE2-O 3.37Å; Y933-D1475 VanDerWaalsContact OH-CB 3.23Å; Y933-D1475 WeakPolarHBondContact OH-CB 3.33Å; Y933-V1476 HydrophobicContact CD1-CG2 4.24Å; Y933-V1476 HydrophobicContact CD2-CG2 4.02Å; Y933-V1476 HydrophobicContact CE1-CG2 4.36Å; Y933-V1476 HydrophobicContact CE2-CG2 4.11Å; Y933-V1476 HydrophobicContact CG-CG2 4.08Å |
| 934 | G | 82.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -164.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N195 A930 | N195-G934 WeakPolarHBondContact OD1-CA 3.39Å; A930-G934 PolarHBondContact N-O 2.97Å; A930-G934 PolarHBondContact O-N 3.2Å |
| 935 | T | 84.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.2 | 175.6 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | T190 N195 D928 V929 L937 | T190-T935 VanDerWaalsContact O-CG2 3.31Å; T190-T935 WeakPolarHBondContact O-CG2 3.44Å; N195-T935 PolarHBondContact ND2-OG1 3.22Å; N195-T935 VanDerWaalsContact ND2-OG1 3.14Å; N195-T935 PolarHBondContact OD1-N 2.99Å; N195-T935 VanDerWaalsContact OD1-N 3.08Å; N195-T935 PolarHBondContact OD1-OG1 3.31Å; D928-T935 CarbonylContact O-C 3.6Å; D928-T935 VanDerWaalsContact O-CA 3.22Å; D928-T935 WeakPolarHBondContact O-CA 3.43Å; D928-T935 WeakPolarHBondContact O-CB 3.44Å; V929-T935 HydrophobicContact CB-CG2 4.5Å; V929-T935 HydrophobicContact CG1-CG2 4.29Å; V929-T935 HydrophobicContact CG2-CG2 4.06Å; T935-L937 PolarHBondContact O-N 2.89Å |
| 936 | G | 84.5 | Confident | 85 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.2 | 44 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D928 | D928-G936 PolarHBondContact O-N 3Å |
| 937 | L | 88.7 | Confident | 84.9 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 148.5 | -174.9 | -60.2 | 179.4 | 0 | 0 | 0 | 111.4 | A888 F889 V927 A930 T935 V1476 | A888-L937 HydrophobicContact CB-CB 4.29Å; A888-L937 HydrophobicContact CB-CD1 4Å; F889-L937 CarbonylContact O-C 3.58Å; F889-L937 WeakPolarHBondContact O-CA 3.16Å; V927-L937 PolarHBondContact N-O 2.64Å; V927-L937 PolarHBondContact O-N 2.8Å; A930-L937 HydrophobicContact CB-CD1 3.85Å; T935-L937 PolarHBondContact O-N 2.89Å; L937-V1476 HydrophobicContact CD1-CG1 4.42Å |
| 938 | L | 91.3 | Very high | 85 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.1 | 171.9 | -63.4 | 171.9 | 0 | 0 | 0 | 109 | A888 F889 M891 L894 I915 I919 L925 Y926 | A888-L938 WeakPolarHBondContact CA-O 3.45Å; F889-L938 HydrophobicContact CD2-CB 4.13Å; F889-L938 HydrophobicContact CE2-CB 3.73Å; F889-L938 HydrophobicContact CE2-CD1 4.49Å; F889-L938 HydrophobicContact CZ-CB 4.35Å; F889-L938 PolarHBondContact N-O 2.75Å; F889-L938 VanDerWaalsContact N-O 3.16Å; F889-L938 PolarHBondContact O-N 3.26Å; M891-L938 HydrophobicContact CB-CD1 4.03Å; M891-L938 HydrophobicContact CG-CD1 4.37Å; L894-L938 HydrophobicContact CD2-CD1 3.98Å; I915-L938 HydrophobicContact CG2-CD1 4.19Å; I919-L938 HydrophobicContact CD1-CD2 3.68Å; I919-L938 HydrophobicContact CG1-CD2 3.9Å; L925-L938 WeakPolarHBondContact O-CA 3.23Å; Y926-L938 HydrophobicContact CD2-CD2 3.75Å; Y926-L938 HydrophobicContact CG-CD2 4.47Å |
| 939 | V | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.1 | 170.1 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | A888 L925 A1473 V1476 F1477 | A888-V939 HydrophobicContact CB-CG2 3.99Å; L925-V939 PolarHBondContact N-O 2.83Å; L925-V939 PolarHBondContact O-N 2.87Å; V939-A1473 HydrophobicContact CG1-CB 3.79Å; V939-V1476 HydrophobicContact CG2-CG1 4.18Å; V939-F1477 HydrophobicContact CB-CE2 3.61Å; V939-F1477 HydrophobicContact CB-CZ 3.82Å; V939-F1477 HydrophobicContact CG1-CE2 3.9Å; V939-F1477 HydrophobicContact CG2-CE2 3.68Å; V939-F1477 HydrophobicContact CG2-CZ 3.92Å |
| 940 | S | 89.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.4 | 175.9 | 80.5 | 0 | 0 | 0 | 0 | 110.7 | E883 A942 S943 Y944 | E883-S940 WeakPolarHBondContact OE1-CB 3.45Å; E883-S940 PolarHBondContact OE1-OG 2.87Å; S940-A942 PolarHBondContact O-N 2.88Å; S940-S943 PolarHBondContact O-N 3.11Å; S940-S943 VanDerWaalsContact OG-CB 3.28Å; S940-S943 WeakPolarHBondContact OG-CB 3.32Å; S940-S943 PolarHBondContact OG-N 2.71Å; S940-S943 PolarHBondContact OG-OG 3.2Å; S940-Y944 PolarHBondContact O-N 2.84Å |
| 941 | R | 87.7 | Confident | 86.1 | Confident | 89 Ų | 89 | 35.7 Ų | 35.7 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.6 | -37.9 | 172.7 | 177.1 | 171.6 | -70.1 | -147.8 | 0.8 | 111 | G922 D923 S943 Y944 E945 | G922-R941 PolarHBondContact O-NE 2.81Å; G922-R941 PolarHBondContact O-NH2 2.82Å; D923-R941 WeakPolarHBondContact O-CB 3.43Å; D923-R941 PolarHBondContact O-N 2.87Å; R941-S943 PolarHBondContact O-N 2.89Å; R941-Y944 PolarHBondContact O-N 3.46Å; R941-E945 HydrophobicContact CG-CG 3.85Å; R941-E945 WeakPolarHBondContact O-CB 3.44Å; R941-E945 WeakPolarHBondContact O-CG 3.26Å; R941-E945 PolarHBondContact O-N 2.94Å |
| 942 | A | 84.8 | Confident | 86.8 | Confident | 70 Ų | 70 | 34.4 Ų | 34.4 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.1 | -45.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S940 E945 A946 | S940-A942 PolarHBondContact O-N 2.88Å; A942-E945 PolarHBondContact O-N 3.23Å; A942-A946 WeakPolarHBondContact O-CB 3.47Å; A942-A946 PolarHBondContact O-N 3.47Å |
| 943 | S | 86.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.5 | -77.8 | 0 | 0 | 0 | 0 | 112.1 | E883 S940 R941 A946 E947 | E883-S943 WeakPolarHBondContact OE1-CB 3.16Å; E883-S943 PolarHBondContact OE1-OG 2.66Å; E883-S943 PolarHBondContact OE2-OG 3.24Å; S940-S943 PolarHBondContact O-N 3.11Å; S940-S943 VanDerWaalsContact OG-CB 3.28Å; S940-S943 WeakPolarHBondContact OG-CB 3.32Å; S940-S943 PolarHBondContact OG-N 2.71Å; S940-S943 PolarHBondContact OG-OG 3.2Å; R941-S943 PolarHBondContact O-N 2.89Å; S943-A946 PolarHBondContact O-N 2.85Å; S943-E947 PolarHBondContact O-N 2.91Å; S943-E947 VanDerWaalsContact O-N 3.12Å |
| 944 | Y | 87.7 | Confident | 88.2 | Confident | 49 Ų | 49 | 30 Ų | 30 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 176.6 | -177.6 | -110.2 | 0 | 0 | 0 | 112.5 | L925 S940 R941 E947 K948 A1473 H1474 F1477 | L925-Y944 HydrophobicContact CD1-CD1 3.78Å; L925-Y944 HydrophobicContact CD1-CG 3.9Å; S940-Y944 PolarHBondContact O-N 2.84Å; R941-Y944 PolarHBondContact O-N 3.46Å; Y944-E947 PolarHBondContact O-N 3.16Å; Y944-K948 WeakPolarHBondContact O-CB 3.44Å; Y944-K948 PolarHBondContact O-N 3.26Å; Y944-A1473 HydrophobicContact CD2-CB 4Å; Y944-H1474 AromaticContact CD2-CE1 4Å; Y944-H1474 AromaticContact CE2-CE1 3.57Å; Y944-H1474 AromaticContact CE2-ND1 3.89Å; Y944-H1474 AromaticContact CE2-NE2 3.75Å; Y944-F1477 AromaticContact CD2-CD2 3.9Å; Y944-F1477 HydrophobicContact CD2-CD2 3.9Å; Y944-F1477 HydrophobicContact CD2-CE2 4.29Å; Y944-F1477 HydrophobicContact CE2-CD2 4.04Å |
| 945 | E | 87.1 | Confident | 88.5 | Confident | 89 Ų | 89 | 33.5 Ų | 33.5 | 42% | 0.416 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.7 | -35 | 175.4 | -76.4 | -173.4 | 166.7 | 0 | 0 | 112.2 | R941 A942 K948 S949 | R941-E945 HydrophobicContact CG-CG 3.85Å; R941-E945 WeakPolarHBondContact O-CB 3.44Å; R941-E945 WeakPolarHBondContact O-CG 3.26Å; R941-E945 PolarHBondContact O-N 2.94Å; A942-E945 PolarHBondContact O-N 3.23Å; E945-K948 PolarHBondContact O-N 3.19Å; E945-S949 WeakPolarHBondContact O-CB 3.39Å; E945-S949 PolarHBondContact O-N 2.84Å |
| 946 | A | 86.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 12% | 0.124 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A942 S943 S949 I950 N1084 A1088 | A942-A946 WeakPolarHBondContact O-CB 3.47Å; A942-A946 PolarHBondContact O-N 3.47Å; S943-A946 PolarHBondContact O-N 2.85Å; A946-S949 WeakPolarHBondContact O-CB 3.48Å; A946-S949 PolarHBondContact O-N 3.06Å; A946-I950 VanDerWaalsContact O-CG1 3.31Å; A946-I950 WeakPolarHBondContact O-CG1 3.21Å; A946-I950 PolarHBondContact O-N 2.66Å; A946-N1084 HydrophobicContact CB-CB 4.12Å; A946-A1088 HydrophobicContact CB-CB 4.12Å |
| 947 | E | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 174 | -69.8 | -170.2 | -176.9 | 0 | 0 | 111.9 | S943 Y944 S949 I950 L951 N1084 L1121 T1472 A1473 H1474 | S943-E947 PolarHBondContact O-N 2.91Å; S943-E947 VanDerWaalsContact O-N 3.12Å; Y944-E947 PolarHBondContact O-N 3.16Å; E947-S949 VanDerWaalsContact C-N 3.29Å; E947-S949 PolarHBondContact O-N 2.77Å; E947-I950 PolarHBondContact O-N 3.12Å; E947-L951 WeakPolarHBondContact O-CG 3.48Å; E947-L951 PolarHBondContact O-N 2.78Å; E947-N1084 WeakPolarHBondContact CG-ND2 2.81Å; E947-N1084 PolarHBondContact OE1-ND2 3.29Å; E947-L1121 HydrophobicContact CB-CD2 3.63Å; E947-L1121 HydrophobicContact CG-CD2 3.76Å; E947-T1472 WeakPolarHBondContact OE1-CB 3.49Å; E947-A1473 PolarHBondContact OE1-N 2.9Å; E947-A1473 WeakPolarHBondContact OE2-CB 3.42Å; E947-A1473 PolarHBondContact OE2-N 3.44Å; E947-A1473 VanDerWaalsContact OE2-N 3.14Å; E947-H1474 IonicContact OE2-CE1 3.79Å; E947-H1474 IonicContact OE2-CG 3.5Å; E947-H1474 PolarHBondContact OE2-N 2.9Å; E947-H1474 IonicContact OE2-ND1 2.86Å; E947-H1474 PolarHBondContact OE2-ND1 3.41Å |
| 948 | K | 89.2 | Confident | 88.6 | Confident | 118 Ų | 118 | 38.2 Ų | 38.2 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.2 | -173.8 | 173.3 | -178.4 | 170.5 | 0 | 111.5 | Y944 E945 L951 R952 | Y944-K948 WeakPolarHBondContact O-CB 3.44Å; Y944-K948 PolarHBondContact O-N 3.26Å; E945-K948 PolarHBondContact O-N 3.19Å; K948-L951 PolarHBondContact O-N 3.27Å; K948-R952 WeakPolarHBondContact O-CB 3.28Å; K948-R952 PolarHBondContact O-N 2.92Å |
| 949 | S | 89.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | E945 A946 E947 R952 H953 | E945-S949 WeakPolarHBondContact O-CB 3.39Å; E945-S949 PolarHBondContact O-N 2.84Å; A946-S949 WeakPolarHBondContact O-CB 3.48Å; A946-S949 PolarHBondContact O-N 3.06Å; E947-S949 VanDerWaalsContact C-N 3.29Å; E947-S949 PolarHBondContact O-N 2.77Å; S949-R952 PolarHBondContact O-N 3.34Å; S949-H953 PolarHBondContact O-N 3.35Å; S949-H953 PolarHBondContact O-ND1 3.44Å; S949-H953 PolarHBondContact OG-CE1 3.26Å; S949-H953 PolarHBondContact OG-ND1 3.42Å |
| 950 | I | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 175.7 | -67 | 162.5 | 0 | 0 | 0 | 110.3 | A946 E947 R952 H953 I954 M1087 A1088 Y1091 P1118 | A946-I950 VanDerWaalsContact O-CG1 3.31Å; A946-I950 WeakPolarHBondContact O-CG1 3.21Å; A946-I950 PolarHBondContact O-N 2.66Å; E947-I950 PolarHBondContact O-N 3.12Å; I950-R952 VanDerWaalsContact C-N 3.3Å; I950-R952 PolarHBondContact O-N 3.46Å; I950-H953 PolarHBondContact O-N 3.11Å; I950-I954 HydrophobicContact CG2-CD1 3.95Å; I950-I954 VanDerWaalsContact O-CG1 3.3Å; I950-I954 WeakPolarHBondContact O-CG1 3.18Å; I950-I954 PolarHBondContact O-N 2.89Å; I950-I954 VanDerWaalsContact O-N 3.07Å; I950-M1087 HydrophobicContact CD1-CB 3.96Å; I950-M1087 HydrophobicContact CD1-CG 4.09Å; I950-M1087 HydrophobicContact CG1-CG 4.33Å; I950-A1088 HydrophobicContact CD1-CB 4.17Å; I950-A1088 HydrophobicContact CG1-CB 3.82Å; I950-Y1091 HydrophobicContact CG2-CD2 4.16Å; I950-Y1091 HydrophobicContact CG2-CE2 4.1Å; I950-P1118 HydrophobicContact CD1-CB 3.65Å |
| 951 | L | 89.6 | Confident | 88.1 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 178.9 | -65.8 | 179 | 0 | 0 | 0 | 112 | E947 K948 I954 L955 L1121 R1125 S1126 | E947-L951 WeakPolarHBondContact O-CG 3.48Å; E947-L951 PolarHBondContact O-N 2.78Å; K948-L951 PolarHBondContact O-N 3.27Å; L951-I954 PolarHBondContact O-N 3.27Å; L951-L955 WeakPolarHBondContact O-CB 3.26Å; L951-L955 PolarHBondContact O-N 3.37Å; L951-L1121 HydrophobicContact CD2-CD2 4.32Å; L951-L1121 HydrophobicContact CD2-CG 4.16Å; L951-L1121 HydrophobicContact CG-CD2 4.18Å; L951-L1121 HydrophobicContact CG-CG 4.45Å; L951-R1125 HydrophobicContact CD1-CB 4.31Å; L951-R1125 HydrophobicContact CD2-CB 4.07Å; L951-S1126 VanDerWaalsContact CD2-CB 3.49Å |
| 952 | R | 90.4 | Very high | 88 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 178.2 | -173.6 | -174 | 69.3 | -165.1 | -4.2 | 111.6 | K948 S949 I950 I954 L955 E956 | K948-R952 WeakPolarHBondContact O-CB 3.28Å; K948-R952 PolarHBondContact O-N 2.92Å; S949-R952 PolarHBondContact O-N 3.34Å; I950-R952 VanDerWaalsContact C-N 3.3Å; I950-R952 PolarHBondContact O-N 3.46Å; R952-I954 VanDerWaalsContact C-N 3.26Å; R952-I954 PolarHBondContact O-N 3.07Å; R952-L955 WeakPolarHBondContact O-CB 3.47Å; R952-L955 PolarHBondContact O-N 2.9Å; R952-E956 VanDerWaalsContact CD-OE1 3.23Å; R952-E956 WeakPolarHBondContact CD-OE1 3.33Å; R952-E956 HydrophobicContact CG-CG 4.23Å; R952-E956 WeakPolarHBondContact CG-OE1 3.47Å; R952-E956 IonicContact NE-OE1 2.84Å; R952-E956 IonicContact NE-OE2 2.98Å; R952-E956 WeakPolarHBondContact O-CB 3.47Å; R952-E956 WeakPolarHBondContact O-CG 3.4Å; R952-E956 PolarHBondContact O-N 3.24Å |
| 953 | H | 90.5 | Very high | 88 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -33.5 | 179.4 | -71.8 | 101.8 | 0 | 0 | 0 | 112.2 | S949 I950 E956 G957 F994 | S949-H953 PolarHBondContact O-N 3.35Å; S949-H953 PolarHBondContact O-ND1 3.44Å; S949-H953 PolarHBondContact OG-CE1 3.26Å; S949-H953 PolarHBondContact OG-ND1 3.42Å; I950-H953 PolarHBondContact O-N 3.11Å; H953-E956 IonicContact CD2-OE2 3.86Å; H953-G957 PolarHBondContact O-N 3.47Å; H953-F994 HydrophobicContact CB-CE2 3.99Å; H953-F994 VanDerWaalsContact O-CD2 3.25Å; H953-F994 WeakPolarHBondContact O-CD2 3.32Å; H953-F994 VanDerWaalsContact O-CE2 3.32Å; H953-F994 WeakPolarHBondContact O-CE2 3.28Å |
| 954 | I | 90.6 | Very high | 88 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 172.1 | -69.9 | 168.4 | 0 | 0 | 0 | 110.6 | I950 L951 R952 G957 K958 F994 Y1091 Q1122 A1128 | I950-I954 HydrophobicContact CG2-CD1 3.95Å; I950-I954 VanDerWaalsContact O-CG1 3.3Å; I950-I954 WeakPolarHBondContact O-CG1 3.18Å; I950-I954 PolarHBondContact O-N 2.89Å; I950-I954 VanDerWaalsContact O-N 3.07Å; L951-I954 PolarHBondContact O-N 3.27Å; R952-I954 VanDerWaalsContact C-N 3.26Å; R952-I954 PolarHBondContact O-N 3.07Å; I954-G957 PolarHBondContact O-N 2.98Å; I954-K958 PolarHBondContact O-N 3.29Å; I954-F994 HydrophobicContact CG1-CB 4.17Å; I954-Y1091 HydrophobicContact CD1-CE2 4.15Å; I954-Y1091 HydrophobicContact CG1-CD2 4.34Å; I954-Y1091 HydrophobicContact CG1-CE2 3.94Å; I954-Q1122 HydrophobicContact CD1-CB 3.6Å; I954-A1128 HydrophobicContact CG2-CB 3.67Å |
| 955 | L | 86.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -47.6 | -179.9 | -177.4 | 65.8 | 0 | 0 | 0 | 111.9 | L951 R952 G957 K958 A1127 W1621 | L951-L955 WeakPolarHBondContact O-CB 3.26Å; L951-L955 PolarHBondContact O-N 3.37Å; R952-L955 WeakPolarHBondContact O-CB 3.47Å; R952-L955 PolarHBondContact O-N 2.9Å; L955-G957 PolarHBondContact O-N 3.07Å; L955-K958 WeakPolarHBondContact O-CB 3.37Å; L955-K958 PolarHBondContact O-N 3.19Å; L955-K958 VanDerWaalsContact O-N 3.13Å; L955-A1127 HydrophobicContact CD1-CB 4.43Å; L955-W1621 HydrophobicContact CD1-CD2 4.06Å; L955-W1621 HydrophobicContact CD1-CE3 4.5Å; L955-W1621 HydrophobicContact CD1-CG 4.21Å |
| 956 | E | 87.4 | Confident | 87.4 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -21.7 | 173.8 | -70.4 | 167.4 | 176.6 | 0 | 0 | 112.1 | R952 H953 A960 | R952-E956 VanDerWaalsContact CD-OE1 3.23Å; R952-E956 WeakPolarHBondContact CD-OE1 3.33Å; R952-E956 HydrophobicContact CG-CG 4.23Å; R952-E956 WeakPolarHBondContact CG-OE1 3.47Å; R952-E956 IonicContact NE-OE1 2.84Å; R952-E956 IonicContact NE-OE2 2.98Å; R952-E956 WeakPolarHBondContact O-CB 3.47Å; R952-E956 WeakPolarHBondContact O-CG 3.4Å; R952-E956 PolarHBondContact O-N 3.24Å; H953-E956 IonicContact CD2-OE2 3.86Å; E956-A960 WeakPolarHBondContact O-CB 3.49Å |
| 957 | G | 87.1 | Confident | 87 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H953 I954 L955 E959 D992 R993 | H953-G957 PolarHBondContact O-N 3.47Å; I954-G957 PolarHBondContact O-N 2.98Å; L955-G957 PolarHBondContact O-N 3.07Å; G957-E959 PolarHBondContact O-N 2.83Å; G957-D992 WeakPolarHBondContact O-CA 3.31Å; G957-R993 PolarHBondContact O-N 3.4Å |
| 958 | K | 86.4 | Confident | 86.5 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 127.9 | 177.9 | -80.7 | -59.3 | -152.9 | 167.7 | 0 | 110.9 | I954 L955 A960 D992 A1127 D1129 | I954-K958 PolarHBondContact O-N 3.29Å; L955-K958 WeakPolarHBondContact O-CB 3.37Å; L955-K958 PolarHBondContact O-N 3.19Å; L955-K958 VanDerWaalsContact O-N 3.13Å; K958-A960 PolarHBondContact O-N 3.22Å; K958-D992 WeakPolarHBondContact CA-OD1 3.27Å; K958-D992 VanDerWaalsContact CD-CG 3.48Å; K958-D992 WeakPolarHBondContact CD-OD1 3.5Å; K958-D992 WeakPolarHBondContact CD-OD2 3.4Å; K958-D992 IonicContact NZ-OD1 2.63Å; K958-D992 IonicContact NZ-OD2 3.56Å; K958-D992 PolarHBondContact NZ-OD2 2.74Å; K958-A1127 WeakPolarHBondContact CE-O 3.43Å; K958-A1127 HydrophobicContact CG-CB 4.48Å; K958-A1127 PolarHBondContact NZ-O 2.77Å; K958-D1129 IonicContact NZ-OD1 2.85Å; K958-D1129 PolarHBondContact NZ-OD1 2.83Å; K958-D1129 IonicContact NZ-OD2 3.27Å |
| 959 | E | 86.1 | Confident | 86.1 | Confident | 116 Ų | 116 | 58.4 Ų | 58.4 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 20.3 | -178.4 | -56.7 | -175.8 | -179.3 | 0 | 0 | 114.7 | G957 V961 S991 D992 | G957-E959 PolarHBondContact O-N 2.83Å; E959-V961 PolarHBondContact O-N 2.86Å; E959-S991 CarbonylContact C-O 3.6Å; E959-S991 VanDerWaalsContact C-O 3.31Å; E959-S991 WeakPolarHBondContact CA-O 3.3Å; E959-D992 PolarHBondContact N-OD1 2.8Å |
| 960 | A | 86.3 | Confident | 85.4 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | trans | -86.4 | -5.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | E956 K958 S991 | E956-A960 WeakPolarHBondContact O-CB 3.49Å; K958-A960 PolarHBondContact O-N 3.22Å; A960-S991 PolarHBondContact N-O 3.23Å | ||
| 961 | V | 87.3 | Confident | 84.8 | Confident | 23 Ų | 23 | 68 Ų | 68 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -144.2 | 155.7 | -170.8 | -61 | 0 | 0 | 0 | 0 | 111.7 | E959 S991 D992 R993 R1100 | E959-V961 PolarHBondContact O-N 2.86Å; V961-S991 WeakPolarHBondContact CG2-O 3.26Å; V961-S991 PolarHBondContact N-O 2.84Å; V961-S991 VanDerWaalsContact N-O 3.09Å; V961-S991 CarbonylContact O-C 3.59Å; V961-S991 WeakPolarHBondContact O-CA 3.03Å; V961-S991 VanDerWaalsContact O-CB 3.27Å; V961-S991 WeakPolarHBondContact O-CB 3.34Å; V961-D992 VanDerWaalsContact CG2-C 3.48Å; V961-D992 WeakPolarHBondContact CG2-O 3.47Å; V961-R993 HydrophobicContact CG1-CB 4.14Å; V961-R993 HydrophobicContact CG1-CG 4.24Å; V961-R993 HydrophobicContact CG2-CB 4.28Å; V961-R1100 HydrophobicContact CG2-CG 4.35Å; V961-R1100 VanDerWaalsContact CG2-NH2 3.35Å |
| 962 | T | 85.7 | Confident | 84.1 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 70% | 0.699 | 35% | 0.354 | S | S | * | . | trans | -82.9 | 128.6 | -175 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | L964 R1100 | T962-L964 PolarHBondContact O-N 3.47Å; T962-R1100 VanDerWaalsContact C-NH2 3.33Å; T962-R1100 VanDerWaalsContact N-NH2 3.1Å; T962-R1100 PolarHBondContact O-NH1 3.39Å; T962-R1100 PolarHBondContact O-NH2 3.21Å | ||
| 963 | P | 85.8 | Confident | 83.5 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | trans | -45.6 | 137.5 | -179.2 | -30 | 35.9 | 0 | 0 | 0 | 114.5 | M965 E989 T990 | P963-M965 PolarHBondContact O-N 3.4Å; P963-E989 WeakPolarHBondContact CB-O 3.3Å; P963-T990 WeakPolarHBondContact CA-O 3.43Å | ||
| 964 | L | 85.6 | Confident | 83 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.9 | -30.3 | 178.5 | -66.2 | 176.4 | 0 | 0 | 0 | 111.3 | T962 L988 P1025 L1073 | T962-L964 PolarHBondContact O-N 3.47Å; L964-L988 HydrophobicContact CD1-CD2 4.37Å; L964-L988 PolarHBondContact N-O 3.35Å; L964-P1025 HydrophobicContact CD1-CG 4.34Å; L964-P1025 HydrophobicContact CD2-CB 4.19Å; L964-P1025 HydrophobicContact CD2-CG 4.04Å; L964-L1073 HydrophobicContact CD1-CD1 4.44Å; L964-L1073 HydrophobicContact CD1-CD2 3.9Å |
| 965 | M | 84 | Confident | 82.7 | Confident | 28 Ų | 28 | 81.2 Ų | 81.2 | 14% | 0.138 | 41% | 0.413 | C | S | . | . | trans | -142.8 | 140 | 171.1 | -60.3 | -171.2 | 77.2 | 0 | 0 | 109.4 | P963 R967 L988 E989 A1015 L1019 | P963-M965 PolarHBondContact O-N 3.4Å; M965-R967 VanDerWaalsContact C-N 3.33Å; M965-L988 HydrophobicContact CB-CB 4.49Å; M965-L988 PolarHBondContact N-O 2.92Å; M965-L988 HydrophobicContact SD-CD1 4.34Å; M965-E989 WeakPolarHBondContact O-CA 3.4Å; M965-A1015 HydrophobicContact SD-CB 4.15Å; M965-L1019 HydrophobicContact CE-CD2 4.37Å; M965-L1019 HydrophobicContact CG-CD1 4.28Å; M965-L1019 HydrophobicContact CG-CD2 4.16Å; M965-L1019 HydrophobicContact CG-CG 4.47Å | ||
| 966 | E | 78.7 | Confident | 82.6 | Confident | 193 Ų | 193 | 78.3 Ų | 78.3 | 90% | 0.902 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -66.4 | -36.7 | 172.3 | -70 | -173.3 | 165.6 | 0 | 0 | 112.3 | ||
| 967 | R | 79.5 | Confident | 82.7 | Confident | 206 Ų | 206 | 75.5 Ų | 75.5 | 78% | 0.777 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -153.4 | 129.3 | 179.1 | -171.6 | 173.5 | 179.1 | 174.9 | 0.7 | 111.5 | M965 | M965-R967 VanDerWaalsContact C-N 3.33Š|
| 968 | V | 79.3 | Confident | 82.6 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | trans | -75.2 | 132 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | G970 M973 L988 E989 | V968-G970 PolarHBondContact O-N 2.83Å; V968-M973 HydrophobicContact CG1-CG 4.18Å; V968-M973 HydrophobicContact CG1-SD 4.42Å; V968-L988 HydrophobicContact CG1-CD1 4.27Å; V968-L988 HydrophobicContact CG2-CB 3.75Å; V968-L988 HydrophobicContact CG2-CD1 3.62Å; V968-L988 HydrophobicContact CG2-CG 4.32Å; V968-E989 HydrophobicContact CG2-CG 3.93Å; V968-E989 PolarHBondContact N-OE1 3.37Å | ||
| 969 | P | 80.1 | Confident | 82.5 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | trans | -55.9 | 135.4 | 175.2 | -26.1 | 34.3 | 0 | 0 | 0 | 112.9 | E971 L972 M1018 | P969-E971 VanDerWaalsContact C-N 3.31Å; P969-E971 PolarHBondContact O-N 3.49Å; P969-L972 PolarHBondContact O-N 3Å; P969-M1018 HydrophobicContact CG-SD 4.29Å | ||
| 970 | G | 75.8 | Confident | 82.6 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -63.7 | -32.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | V968 L972 M973 E974 | V968-G970 PolarHBondContact O-N 2.83Å; G970-L972 VanDerWaalsContact C-N 3.35Å; G970-L972 PolarHBondContact O-N 3.11Å; G970-M973 WeakPolarHBondContact O-CB 3.49Å; G970-M973 PolarHBondContact O-N 3.4Å; G970-E974 PolarHBondContact O-N 2.84Å |
| 971 | E | 78.2 | Confident | 82.8 | Confident | 172 Ų | 172 | 74.8 Ų | 74.8 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -62.3 | -38.8 | -177.9 | -64.1 | -178 | 176.7 | 0 | 0 | 112.8 | P969 M973 | P969-E971 VanDerWaalsContact C-N 3.31Å; P969-E971 PolarHBondContact O-N 3.49Å; E971-M973 PolarHBondContact O-N 3.33Å; E971-M973 VanDerWaalsContact O-N 3.15Å |
| 972 | L | 75.5 | Confident | 82.7 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -66.1 | -16.4 | 176.8 | -72.7 | 177.9 | 0 | 0 | 0 | 112.9 | P969 G970 A1015 M1018 | P969-L972 PolarHBondContact O-N 3Å; G970-L972 VanDerWaalsContact C-N 3.35Å; G970-L972 PolarHBondContact O-N 3.11Å; L972-A1015 HydrophobicContact CD1-CB 3.79Å; L972-M1018 HydrophobicContact CD1-CE 3.69Å; L972-M1018 HydrophobicContact CD1-SD 3.67Å; L972-M1018 HydrophobicContact CD2-CE 3.7Å; L972-M1018 HydrophobicContact CG-CE 3.8Å; L972-M1018 HydrophobicContact CG-SD 4.35Å |
| 973 | M | 77.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -105.8 | -12.3 | -172.1 | -67 | -129.8 | -68.3 | 0 | 0 | 113.9 | V968 G970 E971 K975 L976 R981 R985 | V968-M973 HydrophobicContact CG1-CG 4.18Å; V968-M973 HydrophobicContact CG1-SD 4.42Å; G970-M973 WeakPolarHBondContact O-CB 3.49Å; G970-M973 PolarHBondContact O-N 3.4Å; E971-M973 PolarHBondContact O-N 3.33Å; E971-M973 VanDerWaalsContact O-N 3.15Å; M973-K975 VanDerWaalsContact C-N 3.29Å; M973-K975 PolarHBondContact O-N 3.34Å; M973-L976 HydrophobicContact CG-CD1 4.45Å; M973-L976 PolarHBondContact O-N 2.9Å; M973-L976 VanDerWaalsContact O-N 3.08Å; M973-R981 HydrophobicContact CB-CG 3.95Å; M973-R981 HydrophobicContact CE-CB 4.31Å; M973-R981 HydrophobicContact CE-CG 4.44Å; M973-R981 HydrophobicContact CG-CG 4.45Å; M973-R981 VanDerWaalsContact O-CD 3.27Å; M973-R981 WeakPolarHBondContact O-CD 3.44Å; M973-R981 HydrophobicContact SD-CB 3.83Å; M973-R981 HydrophobicContact SD-CG 3.84Å; M973-R985 HydrophobicContact CE-CG 3.68Å; M973-R985 VanDerWaalsContact CE-NH2 3.31Å; M973-R985 HydrophobicContact SD-CG 4.08Å |
| 974 | E | 80.2 | Confident | 83.1 | Confident | 166 Ų | 166 | 67.4 Ų | 67.4 | 78% | 0.776 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.4 | -171.7 | -164.8 | 177.3 | -167.4 | 0 | 0 | 113.2 | G970 | G970-E974 PolarHBondContact O-N 2.84Š|
| 975 | K | 83.3 | Confident | 83.3 | Confident | 203 Ų | 203 | 70.9 Ų | 70.9 | 88% | 0.883 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -3.9 | 179.9 | -63 | -176.9 | -178.9 | 177.1 | 0 | 114.2 | M973 | M973-K975 VanDerWaalsContact C-N 3.29Å; M973-K975 PolarHBondContact O-N 3.34Å |
| 976 | L | 85.7 | Confident | 83.6 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -89.9 | 142.7 | -176.8 | -65.1 | 177.9 | 0 | 0 | 0 | 111.2 | M973 Q980 R981 T1007 A1011 | M973-L976 HydrophobicContact CG-CD1 4.45Å; M973-L976 PolarHBondContact O-N 2.9Å; M973-L976 VanDerWaalsContact O-N 3.08Å; L976-Q980 HydrophobicContact CB-CB 3.97Å; L976-Q980 HydrophobicContact CD2-CB 4.28Å; L976-R981 HydrophobicContact CB-CG 3.57Å; L976-R981 HydrophobicContact CD1-CG 4.41Å; L976-R981 PolarHBondContact O-NE 2.76Å; L976-R981 VanDerWaalsContact O-NE 3.15Å; L976-T1007 HydrophobicContact CD2-CG2 3.97Å; L976-A1011 HydrophobicContact CD1-CB 3.71Å; L976-A1011 HydrophobicContact CD2-CB 4.23Å; L976-A1011 HydrophobicContact CG-CB 4.49Å |
| 977 | T | 87.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.129 | 31% | 0.305 | C | S | . | . | trans | -62.7 | 162.5 | 173.5 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | G979 Q980 R981 E1135 V1137 | T977-G979 VanDerWaalsContact C-N 3.29Å; T977-G979 PolarHBondContact O-N 3.29Å; T977-Q980 PolarHBondContact O-N 3.27Å; T977-Q980 WeakPolarHBondContact OG1-CB 3.47Å; T977-Q980 VanDerWaalsContact OG1-CD 3.24Å; T977-Q980 WeakPolarHBondContact OG1-CG 3.49Å; T977-Q980 PolarHBondContact OG1-N 3.13Å; T977-Q980 PolarHBondContact OG1-OE1 2.79Å; T977-R981 WeakPolarHBondContact O-CG 3.43Å; T977-R981 PolarHBondContact O-N 3.34Å; T977-E1135 WeakPolarHBondContact CB-OE2 3.31Å; T977-E1135 HydrophobicContact CG2-CB 4.46Å; T977-E1135 HydrophobicContact CG2-CG 4.29Å; T977-V1137 HydrophobicContact CG2-CG2 3.82Å | ||
| 978 | S | 85.6 | Confident | 84.6 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.2 | -45 | -179.3 | 58 | 0 | 0 | 0 | 0 | 112.7 | A982 | S978-A982 PolarHBondContact O-N 3.47Å; S978-A982 VanDerWaalsContact O-N 3.11Å |
| 979 | G | 84.2 | Confident | 85.1 | Confident | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | T977 R981 A982 A983 | T977-G979 VanDerWaalsContact C-N 3.29Å; T977-G979 PolarHBondContact O-N 3.29Å; G979-R981 PolarHBondContact O-N 3.14Å; G979-A982 PolarHBondContact O-N 2.88Å; G979-A983 PolarHBondContact O-N 3.25Å |
| 980 | Q | 88.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.7 | -73 | 168.8 | -4.1 | 0 | 0 | 111.3 | L976 T977 A982 A983 T984 V1003 Q1008 M1133 | L976-Q980 HydrophobicContact CB-CB 3.97Å; L976-Q980 HydrophobicContact CD2-CB 4.28Å; T977-Q980 PolarHBondContact O-N 3.27Å; T977-Q980 WeakPolarHBondContact OG1-CB 3.47Å; T977-Q980 VanDerWaalsContact OG1-CD 3.24Å; T977-Q980 WeakPolarHBondContact OG1-CG 3.49Å; T977-Q980 PolarHBondContact OG1-N 3.13Å; T977-Q980 PolarHBondContact OG1-OE1 2.79Å; Q980-A982 VanDerWaalsContact C-N 3.34Å; Q980-A982 PolarHBondContact O-N 3.04Å; Q980-A983 PolarHBondContact O-N 3.13Å; Q980-T984 PolarHBondContact O-N 2.82Å; Q980-T984 PolarHBondContact O-OG1 3.35Å; Q980-T984 VanDerWaalsContact O-OG1 3.13Å; Q980-V1003 PolarHBondContact NE2-O 3.21Å; Q980-Q1008 HydrophobicContact CB-CB 4.46Å; Q980-Q1008 HydrophobicContact CG-CB 4.24Å; Q980-M1133 HydrophobicContact CG-CE 3.56Å; Q980-M1133 HydrophobicContact CG-SD 4.3Å |
| 981 | R | 89.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 36% | 0.362 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.2 | -72.4 | -173.2 | -86.2 | 148.7 | -1.1 | 112.1 | M973 L976 T977 G979 A983 T984 R985 | M973-R981 HydrophobicContact CB-CG 3.95Å; M973-R981 HydrophobicContact CE-CB 4.31Å; M973-R981 HydrophobicContact CE-CG 4.44Å; M973-R981 HydrophobicContact CG-CG 4.45Å; M973-R981 VanDerWaalsContact O-CD 3.27Å; M973-R981 WeakPolarHBondContact O-CD 3.44Å; M973-R981 HydrophobicContact SD-CB 3.83Å; M973-R981 HydrophobicContact SD-CG 3.84Å; L976-R981 HydrophobicContact CB-CG 3.57Å; L976-R981 HydrophobicContact CD1-CG 4.41Å; L976-R981 PolarHBondContact O-NE 2.76Å; L976-R981 VanDerWaalsContact O-NE 3.15Å; T977-R981 WeakPolarHBondContact O-CG 3.43Å; T977-R981 PolarHBondContact O-N 3.34Å; G979-R981 PolarHBondContact O-N 3.14Å; R981-A983 VanDerWaalsContact C-N 3.33Å; R981-A983 PolarHBondContact O-N 3.41Å; R981-T984 PolarHBondContact O-N 3.42Å; R981-R985 WeakPolarHBondContact O-CB 3.18Å; R981-R985 WeakPolarHBondContact O-CG 3.44Å; R981-R985 PolarHBondContact O-N 3.33Å |
| 982 | A | 86.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S978 G979 Q980 M986 | S978-A982 PolarHBondContact O-N 3.47Å; S978-A982 VanDerWaalsContact O-N 3.11Å; G979-A982 PolarHBondContact O-N 2.88Å; Q980-A982 VanDerWaalsContact C-N 3.34Å; Q980-A982 PolarHBondContact O-N 3.04Å; A982-M986 VanDerWaalsContact O-CB 3.32Å; A982-M986 WeakPolarHBondContact O-CB 3.35Å; A982-M986 PolarHBondContact O-N 3.36Å |
| 983 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G979 Q980 R981 R985 M986 I987 V997 Q1008 A1131 M1133 | G979-A983 PolarHBondContact O-N 3.25Å; Q980-A983 PolarHBondContact O-N 3.13Å; R981-A983 VanDerWaalsContact C-N 3.33Å; R981-A983 PolarHBondContact O-N 3.41Å; A983-R985 PolarHBondContact O-N 2.81Å; A983-M986 PolarHBondContact O-N 3.42Å; A983-I987 VanDerWaalsContact O-CG1 3.32Å; A983-I987 WeakPolarHBondContact O-CG1 3.41Å; A983-I987 PolarHBondContact O-N 2.87Å; A983-V997 HydrophobicContact CB-CG1 3.94Å; A983-V997 HydrophobicContact CB-CG2 4.15Å; A983-Q1008 HydrophobicContact CB-CG 4.26Å; A983-A1131 HydrophobicContact CB-CB 3.82Å; A983-M1133 HydrophobicContact CB-CG 4.28Å; A983-M1133 HydrophobicContact CB-SD 3.8Å |
| 984 | T | 90.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | Q980 R981 I987 L988 V1012 | Q980-T984 PolarHBondContact O-N 2.82Å; Q980-T984 PolarHBondContact O-OG1 3.35Å; Q980-T984 VanDerWaalsContact O-OG1 3.13Å; R981-T984 PolarHBondContact O-N 3.42Å; T984-I987 PolarHBondContact O-N 2.92Å; T984-L988 HydrophobicContact CG2-CD1 3.86Å; T984-L988 WeakPolarHBondContact O-CG 3.5Å; T984-L988 PolarHBondContact O-N 2.83Å; T984-V1012 HydrophobicContact CG2-CG2 4.13Å |
| 985 | R | 89.5 | Confident | 89 | Confident | 101 Ų | 101 | 35.2 Ų | 35.2 | 38% | 0.381 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 172.9 | -80.5 | -169.6 | 179.2 | 145.1 | 7.6 | 112 | M973 R981 A983 I987 L988 E989 | M973-R985 HydrophobicContact CE-CG 3.68Å; M973-R985 VanDerWaalsContact CE-NH2 3.31Å; M973-R985 HydrophobicContact SD-CG 4.08Å; R981-R985 WeakPolarHBondContact O-CB 3.18Å; R981-R985 WeakPolarHBondContact O-CG 3.44Å; R981-R985 PolarHBondContact O-N 3.33Å; A983-R985 PolarHBondContact O-N 2.81Å; R985-I987 VanDerWaalsContact C-N 3.3Å; R985-I987 PolarHBondContact O-N 2.84Å; R985-L988 PolarHBondContact O-N 3.12Å; R985-E989 WeakPolarHBondContact CB-OE2 3.48Å; R985-E989 VanDerWaalsContact O-CB 3.23Å; R985-E989 WeakPolarHBondContact O-CB 3.3Å; R985-E989 WeakPolarHBondContact O-CG 3.21Å; R985-E989 PolarHBondContact O-N 3.16Å |
| 986 | M | 89.4 | Confident | 89.5 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 179.6 | -178 | 178.5 | -68.4 | 0 | 0 | 111.7 | A982 A983 L988 T990 T995 D1129 A1131 | A982-M986 VanDerWaalsContact O-CB 3.32Å; A982-M986 WeakPolarHBondContact O-CB 3.35Å; A982-M986 PolarHBondContact O-N 3.36Å; A983-M986 PolarHBondContact O-N 3.42Å; M986-L988 PolarHBondContact O-N 3.14Å; M986-T990 WeakPolarHBondContact O-CB 3.42Å; M986-T990 WeakPolarHBondContact O-CG2 3.12Å; M986-T990 PolarHBondContact O-N 3.11Å; M986-T995 HydrophobicContact CG-CG2 4.14Å; M986-D1129 HydrophobicContact CE-CB 3.9Å; M986-D1129 HydrophobicContact CG-CB 4.44Å; M986-D1129 HydrophobicContact SD-CB 3.87Å; M986-A1131 HydrophobicContact CE-CB 3.74Å; M986-A1131 HydrophobicContact SD-CB 3.8Å |
| 987 | I | 90.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | -179.5 | -67.5 | 173.3 | 0 | 0 | 0 | 112.2 | A983 T984 R985 V997 V1012 L1073 V1102 | A983-I987 VanDerWaalsContact O-CG1 3.32Å; A983-I987 WeakPolarHBondContact O-CG1 3.41Å; A983-I987 PolarHBondContact O-N 2.87Å; T984-I987 PolarHBondContact O-N 2.92Å; R985-I987 VanDerWaalsContact C-N 3.3Å; R985-I987 PolarHBondContact O-N 2.84Å; I987-V997 HydrophobicContact CD1-CG2 4.41Å; I987-V1012 HydrophobicContact CD1-CG2 3.99Å; I987-V1012 HydrophobicContact CG2-CG1 4.04Å; I987-V1012 HydrophobicContact CG2-CG2 4.35Å; I987-L1073 HydrophobicContact CG2-CD2 4.03Å; I987-V1102 HydrophobicContact CB-CG2 4.37Å; I987-V1102 HydrophobicContact CD1-CG1 3.81Å; I987-V1102 HydrophobicContact CD1-CG2 4.24Å; I987-V1102 HydrophobicContact CG1-CB 4.41Å; I987-V1102 HydrophobicContact CG1-CG1 3.8Å; I987-V1102 HydrophobicContact CG1-CG2 3.79Å; I987-V1102 HydrophobicContact CG2-CG2 3.96Å |
| 988 | L | 90.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -94.5 | -34.9 | -170.9 | -63.8 | 171.4 | 0 | 0 | 0 | 113.3 | L964 M965 V968 T984 R985 M986 V1012 A1015 V1016 | L964-L988 HydrophobicContact CD1-CD2 4.37Å; L964-L988 PolarHBondContact N-O 3.35Å; M965-L988 HydrophobicContact CB-CB 4.49Å; M965-L988 PolarHBondContact N-O 2.92Å; M965-L988 HydrophobicContact SD-CD1 4.34Å; V968-L988 HydrophobicContact CG1-CD1 4.27Å; V968-L988 HydrophobicContact CG2-CB 3.75Å; V968-L988 HydrophobicContact CG2-CD1 3.62Å; V968-L988 HydrophobicContact CG2-CG 4.32Å; T984-L988 HydrophobicContact CG2-CD1 3.86Å; T984-L988 WeakPolarHBondContact O-CG 3.5Å; T984-L988 PolarHBondContact O-N 2.83Å; R985-L988 PolarHBondContact O-N 3.12Å; M986-L988 PolarHBondContact O-N 3.14Å; L988-V1012 HydrophobicContact CD2-CG1 4.28Å; L988-A1015 HydrophobicContact CD1-CB 3.45Å; L988-A1015 VanDerWaalsContact CD1-CB 3.45Å; L988-V1016 HydrophobicContact CD2-CG2 3.88Å |
| 989 | E | 89.9 | Confident | 90.3 | Very high | 38 Ų | 38 | 21.2 Ų | 21.2 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -97.2 | -12.3 | -171.6 | -57 | 172.9 | 169.3 | 0 | 0 | 113.3 | P963 M965 V968 R985 R1630 | P963-E989 WeakPolarHBondContact CB-O 3.3Å; M965-E989 WeakPolarHBondContact O-CA 3.4Å; V968-E989 HydrophobicContact CG2-CG 3.93Å; V968-E989 PolarHBondContact N-OE1 3.37Å; R985-E989 WeakPolarHBondContact CB-OE2 3.48Å; R985-E989 VanDerWaalsContact O-CB 3.23Å; R985-E989 WeakPolarHBondContact O-CB 3.3Å; R985-E989 WeakPolarHBondContact O-CG 3.21Å; R985-E989 PolarHBondContact O-N 3.16Å; E989-R1630 IonicContact OE2-NH1 3.89Å |
| 990 | T | 87.4 | Confident | 90.4 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | trans | -75 | 144.4 | -177.2 | -167.3 | 0 | 0 | 0 | 0 | 113 | P963 M986 D992 T995 R1100 | P963-T990 WeakPolarHBondContact CA-O 3.43Å; M986-T990 WeakPolarHBondContact O-CB 3.42Å; M986-T990 WeakPolarHBondContact O-CG2 3.12Å; M986-T990 PolarHBondContact O-N 3.11Å; T990-D992 VanDerWaalsContact C-N 3.28Å; T990-D992 HydrophobicContact CG2-CB 4.25Å; T990-D992 WeakPolarHBondContact OG1-CB 3.23Å; T990-D992 PolarHBondContact OG1-N 3.14Å; T990-T995 HydrophobicContact CG2-CG2 3.77Å; T990-R1100 PolarHBondContact O-NH1 2.92Å | ||
| 991 | S | 88.1 | Confident | 90.1 | Very high | 39 Ų | 39 | 23 Ų | 23 | 27% | 0.273 | 11% | 0.109 | S | C | . | . | trans | -86.2 | 1.8 | 165.5 | 49.1 | 0 | 0 | 0 | 0 | 113 | E959 A960 V961 | E959-S991 CarbonylContact C-O 3.6Å; E959-S991 VanDerWaalsContact C-O 3.31Å; E959-S991 WeakPolarHBondContact CA-O 3.3Å; A960-S991 PolarHBondContact N-O 3.23Å; V961-S991 WeakPolarHBondContact CG2-O 3.26Å; V961-S991 PolarHBondContact N-O 2.84Å; V961-S991 VanDerWaalsContact N-O 3.09Å; V961-S991 CarbonylContact O-C 3.59Å; V961-S991 WeakPolarHBondContact O-CA 3.03Å; V961-S991 VanDerWaalsContact O-CB 3.27Å; V961-S991 WeakPolarHBondContact O-CB 3.34Å | ||
| 992 | D | 90.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | trans | -80.6 | 143.3 | 176.9 | -67.4 | -17.2 | 0 | 0 | 0 | 112.3 | G957 K958 E959 V961 T990 T995 | G957-D992 WeakPolarHBondContact O-CA 3.31Å; K958-D992 WeakPolarHBondContact CA-OD1 3.27Å; K958-D992 VanDerWaalsContact CD-CG 3.48Å; K958-D992 WeakPolarHBondContact CD-OD1 3.5Å; K958-D992 WeakPolarHBondContact CD-OD2 3.4Å; K958-D992 IonicContact NZ-OD1 2.63Å; K958-D992 IonicContact NZ-OD2 3.56Å; K958-D992 PolarHBondContact NZ-OD2 2.74Å; E959-D992 PolarHBondContact N-OD1 2.8Å; V961-D992 VanDerWaalsContact CG2-C 3.48Å; V961-D992 WeakPolarHBondContact CG2-O 3.47Å; T990-D992 VanDerWaalsContact C-N 3.28Å; T990-D992 HydrophobicContact CG2-CB 4.25Å; T990-D992 WeakPolarHBondContact OG1-CB 3.23Å; T990-D992 PolarHBondContact OG1-N 3.14Å; D992-T995 HydrophobicContact CB-CG2 4.03Å | ||
| 993 | R | 93.5 | Very high | 89.6 | Confident | 49 Ų | 49 | 16.8 Ų | 16.8 | 19% | 0.185 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -75.4 | -38.3 | 174.3 | -167.5 | 179.2 | -58.5 | 171.7 | 3.9 | 112.4 | G957 V961 G1099 R1100 A1101 | G957-R993 PolarHBondContact O-N 3.4Å; V961-R993 HydrophobicContact CG1-CB 4.14Å; V961-R993 HydrophobicContact CG1-CG 4.24Å; V961-R993 HydrophobicContact CG2-CB 4.28Å; R993-G1099 WeakPolarHBondContact CD-O 3.37Å; R993-G1099 WeakPolarHBondContact CG-O 3.44Å; R993-R1100 WeakPolarHBondContact O-CA 3.35Å; R993-A1101 PolarHBondContact O-N 3.01Å |
| 994 | F | 94.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.4 | -176.9 | -62.7 | -71.8 | 0 | 0 | 0 | 110.6 | H953 I954 Y1091 I1094 A1095 A1101 | H953-F994 HydrophobicContact CB-CE2 3.99Å; H953-F994 VanDerWaalsContact O-CD2 3.25Å; H953-F994 WeakPolarHBondContact O-CD2 3.32Å; H953-F994 VanDerWaalsContact O-CE2 3.32Å; H953-F994 WeakPolarHBondContact O-CE2 3.28Å; I954-F994 HydrophobicContact CG1-CB 4.17Å; F994-Y1091 HydrophobicContact CD1-CD1 4.03Å; F994-Y1091 HydrophobicContact CD1-CD2 4.05Å; F994-Y1091 AromaticContact CD1-CE1 3.92Å; F994-Y1091 HydrophobicContact CD1-CE1 3.92Å; F994-Y1091 AromaticContact CD1-CE2 3.95Å; F994-Y1091 HydrophobicContact CD1-CE2 3.95Å; F994-Y1091 HydrophobicContact CD1-CG 4.09Å; F994-Y1091 AromaticContact CD1-CZ 3.89Å; F994-Y1091 AromaticContact CE1-CD1 3.59Å; F994-Y1091 HydrophobicContact CE1-CD1 3.59Å; F994-Y1091 AromaticContact CE1-CD2 3.99Å; F994-Y1091 HydrophobicContact CE1-CD2 3.99Å; F994-Y1091 AromaticContact CE1-CE1 3.95Å; F994-Y1091 HydrophobicContact CE1-CE1 3.95Å; F994-Y1091 HydrophobicContact CE1-CE2 4.32Å; F994-Y1091 AromaticContact CE1-CG 3.61Å; F994-Y1091 HydrophobicContact CE1-CG 3.61Å; F994-Y1091 HydrophobicContact CG-CD2 4.46Å; F994-Y1091 HydrophobicContact CG-CE2 4.33Å; F994-Y1091 HydrophobicContact CZ-CD1 4.36Å; F994-Y1091 HydrophobicContact CZ-CD2 4.32Å; F994-Y1091 AromaticContact CZ-CG 3.97Å; F994-Y1091 HydrophobicContact CZ-CG 3.97Å; F994-I1094 HydrophobicContact CE1-CG2 4.23Å; F994-I1094 HydrophobicContact CZ-CG2 4.45Å; F994-A1095 HydrophobicContact CE2-CB 4.46Å; F994-A1095 HydrophobicContact CZ-CB 4.28Å; F994-A1101 WeakPolarHBondContact CA-O 3.46Å; F994-A1101 HydrophobicContact CD1-CB 3.69Å; F994-A1101 HydrophobicContact CE1-CB 3.78Å |
| 995 | T | 93.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.9 | 176 | 53.1 | 0 | 0 | 0 | 0 | 112 | M986 T990 D992 A1101 V1102 A1103 | M986-T995 HydrophobicContact CG-CG2 4.14Å; T990-T995 HydrophobicContact CG2-CG2 3.77Å; D992-T995 HydrophobicContact CB-CG2 4.03Å; T995-A1101 PolarHBondContact N-O 2.88Å; T995-A1101 VanDerWaalsContact N-O 3.09Å; T995-V1102 CarbonylContact O-C 3.47Å; T995-V1102 WeakPolarHBondContact O-CA 3.39Å; T995-A1103 PolarHBondContact O-N 2.8Å |
| 996 | V | 93.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.6 | -174 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | A1103 F1119 Q1122 Q1123 A1128 D1129 V1130 A1131 | V996-A1103 CarbonylContact C-O 3.43Å; V996-A1103 WeakPolarHBondContact CA-O 3.49Å; V996-F1119 HydrophobicContact CG1-CD2 4.46Å; V996-F1119 HydrophobicContact CG1-CE2 3.75Å; V996-F1119 HydrophobicContact CG1-CZ 4.23Å; V996-Q1122 HydrophobicContact CG1-CG 4.38Å; V996-Q1122 HydrophobicContact CG2-CB 4.37Å; V996-Q1122 HydrophobicContact CG2-CG 3.82Å; V996-Q1123 HydrophobicContact CG1-CG 3.8Å; V996-A1128 HydrophobicContact CG2-CB 3.85Å; V996-D1129 PolarHBondContact N-O 3.25Å; V996-V1130 HydrophobicContact CB-CG2 4.19Å; V996-V1130 HydrophobicContact CG1-CG1 4.43Å; V996-V1130 CarbonylContact O-C 3.44Å; V996-V1130 VanDerWaalsContact O-CA 3.28Å; V996-V1130 WeakPolarHBondContact O-CA 3.38Å; V996-A1131 PolarHBondContact O-N 2.92Å |
| 997 | V | 94 | Very high | 88.8 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 109.7 | 174.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | A983 I987 V1102 A1103 S1104 G1105 A1131 M1133 | A983-V997 HydrophobicContact CB-CG1 3.94Å; A983-V997 HydrophobicContact CB-CG2 4.15Å; I987-V997 HydrophobicContact CD1-CG2 4.41Å; V997-V1102 HydrophobicContact CG2-CG1 3.83Å; V997-A1103 PolarHBondContact N-O 3.16Å; V997-S1104 WeakPolarHBondContact O-CA 3.33Å; V997-G1105 PolarHBondContact O-N 3.15Å; V997-G1105 VanDerWaalsContact O-N 3.13Å; V997-A1131 WeakPolarHBondContact CA-O 3.37Å; V997-A1131 HydrophobicContact CG2-CB 4.46Å; V997-M1133 HydrophobicContact CG1-CG 4.41Å; V997-M1133 HydrophobicContact CG1-SD 3.71Å |
| 998 | Q | 92.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 112.6 | 172.3 | 173.8 | 61.9 | 18.5 | 0 | 0 | 108.4 | D1106 T1107 V1130 A1131 I1132 M1133 | Q998-D1106 PolarHBondContact NE2-OD1 3.31Å; Q998-T1107 PolarHBondContact OE1-OG1 2.82Å; Q998-V1130 HydrophobicContact CB-CG1 4.29Å; Q998-A1131 PolarHBondContact N-O 3.18Å; Q998-I1132 HydrophobicContact CB-CG1 4.43Å; Q998-I1132 CarbonylContact O-C 3.53Å; Q998-I1132 WeakPolarHBondContact O-CA 3.4Å; Q998-M1133 PolarHBondContact O-N 3.43Å |
| 999 | G | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 117.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1105 D1106 | G999-G1105 PolarHBondContact N-O 2.92Å; G999-D1106 WeakPolarHBondContact O-CB 3.4Å |
| 1000 | Y | 86.7 | Confident | 88.7 | Confident | 50 Ų | 50 | 22.8 Ų | 22.8 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | trans | -62.8 | 162 | 177.6 | -61.9 | -37.4 | 0 | 0 | 0 | 112.7 | G1002 V1003 D1106 M1133 K1134 I1151 | Y1000-G1002 PolarHBondContact O-N 3.28Å; Y1000-G1002 VanDerWaalsContact O-N 3.13Å; Y1000-V1003 VanDerWaalsContact O-CG1 3.3Å; Y1000-V1003 WeakPolarHBondContact O-CG1 3.26Å; Y1000-V1003 WeakPolarHBondContact O-CG2 3.25Å; Y1000-V1003 PolarHBondContact O-N 2.91Å; Y1000-D1106 WeakPolarHBondContact CA-OD2 3.43Å; Y1000-M1133 PolarHBondContact N-O 2.86Å; Y1000-K1134 HydrophobicContact CD2-CB 3.99Å; Y1000-K1134 HydrophobicContact CE2-CB 3.73Å; Y1000-I1151 HydrophobicContact CD1-CD1 4.35Å; Y1000-I1151 HydrophobicContact CD1-CG2 4.48Å; Y1000-I1151 HydrophobicContact CD2-CD1 3.85Å; Y1000-I1151 HydrophobicContact CE1-CG2 4.01Å; Y1000-I1151 HydrophobicContact CE2-CD1 4.38Å; Y1000-I1151 HydrophobicContact CE2-CG2 4.14Å; Y1000-I1151 HydrophobicContact CG-CD1 3.85Å | ||
| 1001 | A | 81.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 122.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1106 Y1440 | A1001-D1106 PolarHBondContact N-OD2 2.77Å; A1001-Y1440 HydrophobicContact CB-CE1 4.21Å; A1001-Y1440 WeakPolarHBondContact CB-OH 3.4Å; A1001-Y1440 PolarHBondContact N-OH 3.24Å |
| 1002 | G | 81.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 10.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y1000 G1004 V1137 R1138 | Y1000-G1002 PolarHBondContact O-N 3.28Å; Y1000-G1002 VanDerWaalsContact O-N 3.13Å; G1002-G1004 VanDerWaalsContact C-N 3.31Å; G1002-G1004 PolarHBondContact O-N 2.74Å; G1002-V1137 PolarHBondContact O-N 3.26Å; G1002-R1138 VanDerWaalsContact CA-NE 3.32Å; G1002-R1138 PolarHBondContact O-N 2.85Å |
| 1003 | V | 86.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -81.9 | -1.5 | -179 | -57.4 | 0 | 0 | 0 | 0 | 114.9 | Q980 Y1000 K1005 M1133 E1135 I1136 | Q980-V1003 PolarHBondContact NE2-O 3.21Å; Y1000-V1003 VanDerWaalsContact O-CG1 3.3Å; Y1000-V1003 WeakPolarHBondContact O-CG1 3.26Å; Y1000-V1003 WeakPolarHBondContact O-CG2 3.25Å; Y1000-V1003 PolarHBondContact O-N 2.91Å; V1003-K1005 HydrophobicContact CG2-CG 4.27Å; V1003-M1133 HydrophobicContact CB-CB 4.25Å; V1003-M1133 HydrophobicContact CB-CE 4.44Å; V1003-M1133 WeakPolarHBondContact CG1-O 3.5Å; V1003-M1133 HydrophobicContact CG2-CB 3.8Å; V1003-M1133 HydrophobicContact CG2-CE 3.66Å; V1003-E1135 WeakPolarHBondContact CA-O 3.36Å; V1003-E1135 WeakPolarHBondContact CB-O 3.46Å; V1003-I1136 HydrophobicContact CG1-CG1 4.1Å |
| 1004 | G | 83.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | trans | 87.5 | 41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1002 T1006 T1007 Q1008 | G1002-G1004 VanDerWaalsContact C-N 3.31Å; G1002-G1004 PolarHBondContact O-N 2.74Å; G1004-T1006 VanDerWaalsContact C-N 3.35Å; G1004-T1006 PolarHBondContact O-N 3.47Å; G1004-T1007 WeakPolarHBondContact O-CB 3.23Å; G1004-T1007 PolarHBondContact O-N 2.82Å; G1004-T1007 VanDerWaalsContact O-N 3.12Å; G1004-Q1008 PolarHBondContact O-N 2.79Å; G1004-Q1008 VanDerWaalsContact O-N 3.09Å | ||
| 1005 | K | 85.8 | Confident | 88.1 | Confident | 29 Ų | 29 | 21.6 Ų | 21.6 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -52.4 | -46 | 175.6 | -66.3 | -166.5 | -84.9 | 168.7 | 0 | 113.4 | V1003 T1007 Q1008 F1009 D1077 E1078 M1133 | V1003-K1005 HydrophobicContact CG2-CG 4.27Å; K1005-T1007 VanDerWaalsContact C-N 3.29Å; K1005-T1007 PolarHBondContact O-N 2.8Å; K1005-Q1008 CarbonylContact O-C 3.51Å; K1005-Q1008 WeakPolarHBondContact O-CA 3.49Å; K1005-Q1008 WeakPolarHBondContact O-CB 3.3Å; K1005-Q1008 PolarHBondContact O-N 2.75Å; K1005-F1009 PolarHBondContact O-N 3.02Å; K1005-D1077 IonicContact NZ-OD1 3.44Å; K1005-D1077 PolarHBondContact NZ-OD1 3.37Å; K1005-E1078 IonicContact NZ-OE2 2.84Å; K1005-E1078 PolarHBondContact NZ-OE2 3.25Å; K1005-M1133 HydrophobicContact CG-CE 4.31Å |
| 1006 | T | 83.2 | Confident | 87.9 | Confident | 50 Ų | 50 | 21.5 Ų | 21.5 | 31% | 0.307 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 177 | -39.1 | 0 | 0 | 0 | 0 | 112.7 | G1004 Q1008 R1010 A1043 | G1004-T1006 VanDerWaalsContact C-N 3.35Å; G1004-T1006 PolarHBondContact O-N 3.47Å; T1006-Q1008 VanDerWaalsContact C-N 3.34Å; T1006-R1010 WeakPolarHBondContact O-CB 3.46Å; T1006-R1010 PolarHBondContact O-N 3.5Å; T1006-A1043 HydrophobicContact CG2-CB 3.65Å |
| 1007 | T | 87.3 | Confident | 87.6 | Confident | 67 Ų | 67 | 25.3 Ų | 25.3 | 41% | 0.411 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 176.2 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | L976 G1004 K1005 R1010 A1011 | L976-T1007 HydrophobicContact CD2-CG2 3.97Å; G1004-T1007 WeakPolarHBondContact O-CB 3.23Å; G1004-T1007 PolarHBondContact O-N 2.82Å; G1004-T1007 VanDerWaalsContact O-N 3.12Å; K1005-T1007 VanDerWaalsContact C-N 3.29Å; K1005-T1007 PolarHBondContact O-N 2.8Å; T1007-R1010 PolarHBondContact O-N 3.27Å; T1007-A1011 PolarHBondContact O-N 3.35Å |
| 1008 | Q | 90.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.5 | 178.2 | -88 | -16.1 | 0 | 0 | 112 | Q980 A983 G1004 K1005 T1006 R1010 A1011 V1012 M1133 | Q980-Q1008 HydrophobicContact CB-CB 4.46Å; Q980-Q1008 HydrophobicContact CG-CB 4.24Å; A983-Q1008 HydrophobicContact CB-CG 4.26Å; G1004-Q1008 PolarHBondContact O-N 2.79Å; G1004-Q1008 VanDerWaalsContact O-N 3.09Å; K1005-Q1008 CarbonylContact O-C 3.51Å; K1005-Q1008 WeakPolarHBondContact O-CA 3.49Å; K1005-Q1008 WeakPolarHBondContact O-CB 3.3Å; K1005-Q1008 PolarHBondContact O-N 2.75Å; T1006-Q1008 VanDerWaalsContact C-N 3.34Å; Q1008-R1010 VanDerWaalsContact C-N 3.34Å; Q1008-R1010 PolarHBondContact O-N 3.38Å; Q1008-A1011 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1011 PolarHBondContact O-N 3.3Å; Q1008-V1012 WeakPolarHBondContact O-CG2 3.44Å; Q1008-V1012 PolarHBondContact O-N 2.97Å; Q1008-M1133 HydrophobicContact CB-CE 4.11Å; Q1008-M1133 HydrophobicContact CB-SD 4.45Å; Q1008-M1133 HydrophobicContact CG-CE 4.41Å; Q1008-M1133 HydrophobicContact CG-SD 4.1Å |
| 1009 | F | 89.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 172.9 | -67.7 | -28 | 0 | 0 | 0 | 112.6 | K1005 A1011 V1012 M1013 M1040 A1043 V1045 L1075 D1077 | K1005-F1009 PolarHBondContact O-N 3.02Å; F1009-A1011 VanDerWaalsContact C-N 3.28Å; F1009-A1011 PolarHBondContact O-N 3.22Å; F1009-V1012 WeakPolarHBondContact O-CB 3.47Å; F1009-V1012 PolarHBondContact O-N 2.75Å; F1009-M1013 PolarHBondContact O-N 3.01Å; F1009-M1040 HydrophobicContact CD2-CG 4.39Å; F1009-M1040 HydrophobicContact CE2-CG 4.16Å; F1009-A1043 HydrophobicContact CB-CB 4.18Å; F1009-V1045 HydrophobicContact CB-CG2 4.44Å; F1009-L1075 HydrophobicContact CD1-CD1 4.1Å; F1009-L1075 HydrophobicContact CE1-CD1 4.4Å; F1009-D1077 HydrophobicContact CE2-CB 4.13Å; F1009-D1077 HydrophobicContact CZ-CB 4.2Å |
| 1010 | R | 89.3 | Confident | 86.6 | Confident | 117 Ų | 117 | 34.5 Ų | 34.5 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 175 | -169 | 176.8 | -66 | 123.1 | -0.5 | 111.6 | T1006 T1007 Q1008 M1013 S1014 S1042 | T1006-R1010 WeakPolarHBondContact O-CB 3.46Å; T1006-R1010 PolarHBondContact O-N 3.5Å; T1007-R1010 PolarHBondContact O-N 3.27Å; Q1008-R1010 VanDerWaalsContact C-N 3.34Å; Q1008-R1010 PolarHBondContact O-N 3.38Å; R1010-M1013 PolarHBondContact O-N 3.08Å; R1010-S1014 WeakPolarHBondContact O-CB 3.19Å; R1010-S1014 PolarHBondContact O-N 3.22Å; R1010-S1014 PolarHBondContact O-OG 2.7Å; R1010-S1014 VanDerWaalsContact O-OG 3.05Å; R1010-S1042 PolarHBondContact NH2-O 3.19Å |
| 1011 | A | 88.3 | Confident | 86.3 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L976 T1007 Q1008 F1009 S1014 A1015 | L976-A1011 HydrophobicContact CD1-CB 3.71Å; L976-A1011 HydrophobicContact CD2-CB 4.23Å; L976-A1011 HydrophobicContact CG-CB 4.49Å; T1007-A1011 PolarHBondContact O-N 3.35Å; Q1008-A1011 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1011 PolarHBondContact O-N 3.3Å; F1009-A1011 VanDerWaalsContact C-N 3.28Å; F1009-A1011 PolarHBondContact O-N 3.22Å; A1011-S1014 PolarHBondContact O-N 2.93Å; A1011-A1015 WeakPolarHBondContact O-CB 3.43Å; A1011-A1015 PolarHBondContact O-N 3.14Å |
| 1012 | V | 89.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | T984 I987 L988 Q1008 F1009 S1014 A1015 V1016 L1073 | T984-V1012 HydrophobicContact CG2-CG2 4.13Å; I987-V1012 HydrophobicContact CD1-CG2 3.99Å; I987-V1012 HydrophobicContact CG2-CG1 4.04Å; I987-V1012 HydrophobicContact CG2-CG2 4.35Å; L988-V1012 HydrophobicContact CD2-CG1 4.28Å; Q1008-V1012 WeakPolarHBondContact O-CG2 3.44Å; Q1008-V1012 PolarHBondContact O-N 2.97Å; F1009-V1012 WeakPolarHBondContact O-CB 3.47Å; F1009-V1012 PolarHBondContact O-N 2.75Å; V1012-S1014 PolarHBondContact O-N 2.86Å; V1012-A1015 PolarHBondContact O-N 2.78Å; V1012-V1016 HydrophobicContact CG1-CG2 4.39Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.46Å; V1012-V1016 PolarHBondContact O-N 3.25Å; V1012-L1073 HydrophobicContact CG1-CD2 4.48Å |
| 1013 | M | 90.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 14% | 0.138 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.6 | -72.6 | -58 | -64.4 | 0 | 0 | 112.3 | F1009 R1010 A1015 V1016 N1017 V1027 V1045 | F1009-M1013 PolarHBondContact O-N 3.01Å; R1010-M1013 PolarHBondContact O-N 3.08Å; M1013-A1015 VanDerWaalsContact C-N 3.32Å; M1013-A1015 PolarHBondContact O-N 3.1Å; M1013-V1016 PolarHBondContact O-N 2.77Å; M1013-N1017 VanDerWaalsContact O-CB 3.31Å; M1013-N1017 WeakPolarHBondContact O-CB 3.36Å; M1013-N1017 PolarHBondContact O-N 2.87Å; M1013-N1017 PolarHBondContact O-ND2 2.9Å; M1013-V1027 HydrophobicContact CE-CB 4.46Å; M1013-V1027 HydrophobicContact SD-CB 3.72Å; M1013-V1027 HydrophobicContact SD-CG1 3.78Å; M1013-V1027 HydrophobicContact SD-CG2 3.83Å; M1013-V1045 HydrophobicContact CG-CG2 3.65Å; M1013-V1045 HydrophobicContact SD-CG2 3.94Å |
| 1014 | S | 88.5 | Confident | 86.2 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.1 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | R1010 A1011 V1012 M1018 | R1010-S1014 WeakPolarHBondContact O-CB 3.19Å; R1010-S1014 PolarHBondContact O-N 3.22Å; R1010-S1014 PolarHBondContact O-OG 2.7Å; R1010-S1014 VanDerWaalsContact O-OG 3.05Å; A1011-S1014 PolarHBondContact O-N 2.93Å; V1012-S1014 PolarHBondContact O-N 2.86Å; S1014-M1018 WeakPolarHBondContact O-CG 3.48Å; S1014-M1018 PolarHBondContact O-N 2.84Å |
| 1015 | A | 87.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M965 L972 L988 A1011 V1012 M1013 N1017 M1018 | M965-A1015 HydrophobicContact SD-CB 4.15Å; L972-A1015 HydrophobicContact CD1-CB 3.79Å; L988-A1015 HydrophobicContact CD1-CB 3.45Å; L988-A1015 VanDerWaalsContact CD1-CB 3.45Å; A1011-A1015 WeakPolarHBondContact O-CB 3.43Å; A1011-A1015 PolarHBondContact O-N 3.14Å; V1012-A1015 PolarHBondContact O-N 2.78Å; M1013-A1015 VanDerWaalsContact C-N 3.32Å; M1013-A1015 PolarHBondContact O-N 3.1Å; A1015-N1017 VanDerWaalsContact C-N 3.28Å; A1015-N1017 PolarHBondContact O-N 3.29Å; A1015-M1018 WeakPolarHBondContact O-CB 3.19Å; A1015-M1018 PolarHBondContact O-N 2.85Å |
| 1016 | V | 87.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.2 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | L988 V1012 M1013 M1018 L1019 R1024 P1025 V1027 | L988-V1016 HydrophobicContact CD2-CG2 3.88Å; V1012-V1016 HydrophobicContact CG1-CG2 4.39Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.46Å; V1012-V1016 PolarHBondContact O-N 3.25Å; M1013-V1016 PolarHBondContact O-N 2.77Å; V1016-M1018 PolarHBondContact O-N 2.9Å; V1016-L1019 WeakPolarHBondContact O-CB 3.41Å; V1016-L1019 PolarHBondContact O-N 3.42Å; V1016-L1019 VanDerWaalsContact O-N 3.08Å; V1016-R1024 HydrophobicContact CG1-CG 3.82Å; V1016-P1025 HydrophobicContact CG1-CG 3.77Å; V1016-P1025 HydrophobicContact CG2-CG 4.24Å; V1016-V1027 HydrophobicContact CG1-CG2 4.06Å; V1016-V1027 HydrophobicContact CG2-CG2 4.41Å |
| 1017 | N | 87.3 | Confident | 87.1 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.1 | 177.7 | -74.1 | -25.1 | 0 | 0 | 0 | 113.8 | M1013 A1015 L1019 R1024 | M1013-N1017 VanDerWaalsContact O-CB 3.31Å; M1013-N1017 WeakPolarHBondContact O-CB 3.36Å; M1013-N1017 PolarHBondContact O-N 2.87Å; M1013-N1017 PolarHBondContact O-ND2 2.9Å; A1015-N1017 VanDerWaalsContact C-N 3.28Å; A1015-N1017 PolarHBondContact O-N 3.29Å; N1017-L1019 VanDerWaalsContact C-N 3.32Å; N1017-R1024 PolarHBondContact O-NH2 2.76Å |
| 1018 | M | 86.3 | Confident | 87.3 | Confident | 114 Ų | 114 | 53.4 Ų | 53.4 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.9 | 170.2 | -68.2 | -179 | 177.5 | 0 | 0 | 112.8 | P969 L972 S1014 A1015 V1016 | P969-M1018 HydrophobicContact CG-SD 4.29Å; L972-M1018 HydrophobicContact CD1-CE 3.69Å; L972-M1018 HydrophobicContact CD1-SD 3.67Å; L972-M1018 HydrophobicContact CD2-CE 3.7Å; L972-M1018 HydrophobicContact CG-CE 3.8Å; L972-M1018 HydrophobicContact CG-SD 4.35Å; S1014-M1018 WeakPolarHBondContact O-CG 3.48Å; S1014-M1018 PolarHBondContact O-N 2.84Å; A1015-M1018 WeakPolarHBondContact O-CB 3.19Å; A1015-M1018 PolarHBondContact O-N 2.85Å; V1016-M1018 PolarHBondContact O-N 2.9Å |
| 1019 | L | 84.3 | Confident | 87.5 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.4 | 149.2 | 176.4 | -66.5 | 169.7 | 0 | 0 | 0 | 111.4 | M965 V1016 N1017 R1024 | M965-L1019 HydrophobicContact CE-CD2 4.37Å; M965-L1019 HydrophobicContact CG-CD1 4.28Å; M965-L1019 HydrophobicContact CG-CD2 4.16Å; M965-L1019 HydrophobicContact CG-CG 4.47Å; V1016-L1019 WeakPolarHBondContact O-CB 3.41Å; V1016-L1019 PolarHBondContact O-N 3.42Å; V1016-L1019 VanDerWaalsContact O-N 3.08Å; N1017-L1019 VanDerWaalsContact C-N 3.32Å; L1019-R1024 PolarHBondContact O-NE 2.99Å; L1019-R1024 PolarHBondContact O-NH2 3.36Å |
| 1020 | P | 84.5 | Confident | 87.7 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -55 | 146.7 | 171.9 | -20.6 | 30.9 | 0 | 0 | 0 | 111.6 | S1022 E1023 R1024 | P1020-S1022 PolarHBondContact O-N 2.78Å; P1020-S1022 VanDerWaalsContact O-N 3.12Å; P1020-E1023 PolarHBondContact O-N 3.1Å; P1020-R1024 WeakPolarHBondContact O-CB 3.12Å; P1020-R1024 PolarHBondContact O-N 3.14Å | ||
| 1021 | E | 81.4 | Confident | 87.7 | Confident | 168 Ų | 168 | 47.8 Ų | 47.8 | 79% | 0.785 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -33.4 | -178.6 | -77.2 | -171.6 | 159.1 | 0 | 0 | 113.5 | E1023 | E1021-E1023 VanDerWaalsContact C-N 3.3Å; E1021-E1023 PolarHBondContact O-N 3.22Å |
| 1022 | S | 79.1 | Confident | 87.5 | Confident | 104 Ų | 104 | 49 Ų | 49 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.2 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P1020 | P1020-S1022 PolarHBondContact O-N 2.78Å; P1020-S1022 VanDerWaalsContact O-N 3.12Å |
| 1023 | E | 80.6 | Confident | 87 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -5.6 | -178 | -66.1 | 177.1 | -177.3 | 0 | 0 | 112 | P1020 E1021 P1025 | P1020-E1023 PolarHBondContact O-N 3.1Å; E1021-E1023 VanDerWaalsContact C-N 3.3Å; E1021-E1023 PolarHBondContact O-N 3.22Å; E1023-P1025 VanDerWaalsContact O-CD 3.23Å; E1023-P1025 WeakPolarHBondContact O-CD 3.14Å |
| 1024 | R | 87.2 | Confident | 86.2 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | trans | -70.4 | 117.9 | -174.8 | -172.7 | 177.2 | -65.6 | 160.2 | 2 | 110.1 | V1016 N1017 L1019 P1020 N1071 | V1016-R1024 HydrophobicContact CG1-CG 3.82Å; N1017-R1024 PolarHBondContact O-NH2 2.76Å; L1019-R1024 PolarHBondContact O-NE 2.99Å; L1019-R1024 PolarHBondContact O-NH2 3.36Å; P1020-R1024 WeakPolarHBondContact O-CB 3.12Å; P1020-R1024 PolarHBondContact O-N 3.14Å; R1024-N1071 PolarHBondContact O-ND2 3.44Å; R1024-N1071 VanDerWaalsContact O-ND2 3.15Å | ||
| 1025 | P | 89.1 | Confident | 85.5 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | trans | -68.3 | 144.7 | 175.8 | 28 | -36.9 | 0 | 0 | 0 | 111.5 | L964 V1016 E1023 V1027 N1071 | L964-P1025 HydrophobicContact CD1-CG 4.34Å; L964-P1025 HydrophobicContact CD2-CB 4.19Å; L964-P1025 HydrophobicContact CD2-CG 4.04Å; V1016-P1025 HydrophobicContact CG1-CG 3.77Å; V1016-P1025 HydrophobicContact CG2-CG 4.24Å; E1023-P1025 VanDerWaalsContact O-CD 3.23Å; E1023-P1025 WeakPolarHBondContact O-CD 3.14Å; P1025-V1027 PolarHBondContact O-N 3.42Å; P1025-N1071 WeakPolarHBondContact CA-O 3.39Å; P1025-N1071 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 1026 | R | 89.3 | Confident | 85.2 | Confident | 113 Ų | 113 | 53.2 Ų | 53.2 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115.9 | 166.9 | -175.1 | -174.4 | 179.2 | 155.6 | 7.6 | 108.4 | E832 V1028 N1071 T1072 L1073 | E832-R1026 IonicContact OE1-CZ 3.87Å; E832-R1026 IonicContact OE1-NH1 3.45Å; E832-R1026 PolarHBondContact OE1-NH1 2.76Å; E832-R1026 IonicContact OE1-NH2 3.77Å; E832-R1026 PolarHBondContact OE1-NH2 3.47Å; E832-R1026 IonicContact OE2-CZ 2.8Å; E832-R1026 IonicContact OE2-NH1 3.68Å; E832-R1026 IonicContact OE2-NH2 2.78Å; E832-R1026 PolarHBondContact OE2-NH2 3.18Å; E832-R1026 VanDerWaalsContact OE2-NH2 3.13Å; R1026-V1028 HydrophobicContact CG-CG2 3.98Å; R1026-N1071 PolarHBondContact N-O 3.43Å; R1026-T1072 HydrophobicContact CB-CG2 4.43Å; R1026-T1072 CarbonylContact O-C 3.6Å; R1026-T1072 WeakPolarHBondContact O-CA 3.3Å; R1026-T1072 WeakPolarHBondContact O-CG2 3.43Å; R1026-L1073 PolarHBondContact O-N 2.63Å |
| 1027 | V | 93 | Very high | 84.9 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.3 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | M1013 V1016 P1025 V1045 L1073 L1075 | M1013-V1027 HydrophobicContact CE-CB 4.46Å; M1013-V1027 HydrophobicContact SD-CB 3.72Å; M1013-V1027 HydrophobicContact SD-CG1 3.78Å; M1013-V1027 HydrophobicContact SD-CG2 3.83Å; V1016-V1027 HydrophobicContact CG1-CG2 4.06Å; V1016-V1027 HydrophobicContact CG2-CG2 4.41Å; P1025-V1027 PolarHBondContact O-N 3.42Å; V1027-V1045 HydrophobicContact CG1-CG1 4.11Å; V1027-L1073 CarbonylContact C-O 3.53Å; V1027-L1073 WeakPolarHBondContact CA-O 3.15Å; V1027-L1073 HydrophobicContact CG1-CD2 4.49Å; V1027-L1073 HydrophobicContact CG2-CB 4.46Å; V1027-L1073 HydrophobicContact CG2-CD2 4.37Å; V1027-L1075 HydrophobicContact CG1-CD1 3.62Å; V1027-L1075 HydrophobicContact CG1-CG 3.94Å |
| 1028 | V | 92 | Very high | 84.5 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.6 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | R1026 L1030 D1046 T1072 L1073 F1074 L1075 | R1026-V1028 HydrophobicContact CG-CG2 3.98Å; V1028-L1030 HydrophobicContact CG1-CD2 4.32Å; V1028-D1046 CarbonylContact C-O 3.55Å; V1028-D1046 WeakPolarHBondContact CA-O 3.46Å; V1028-T1072 HydrophobicContact CG2-CG2 4.02Å; V1028-L1073 PolarHBondContact N-O 2.65Å; V1028-F1074 HydrophobicContact CB-CD1 3.88Å; V1028-F1074 HydrophobicContact CB-CE1 3.99Å; V1028-F1074 HydrophobicContact CG1-CD1 4.15Å; V1028-F1074 HydrophobicContact CG1-CE1 4.12Å; V1028-F1074 HydrophobicContact CG2-CE1 4.5Å; V1028-F1074 CarbonylContact O-C 3.49Å; V1028-F1074 VanDerWaalsContact O-CA 3.27Å; V1028-F1074 WeakPolarHBondContact O-CA 3.37Å; V1028-L1075 PolarHBondContact O-N 2.83Å |
| 1029 | G | 93.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1046 A1047 Q1048 L1075 | G1029-D1046 PolarHBondContact N-O 2.82Å; G1029-A1047 CarbonylContact O-C 3.57Å; G1029-A1047 WeakPolarHBondContact O-CA 3.25Å; G1029-A1047 WeakPolarHBondContact O-CB 3.22Å; G1029-Q1048 PolarHBondContact O-N 3.03Å; G1029-L1075 CarbonylContact C-O 3.59Å; G1029-L1075 WeakPolarHBondContact CA-O 3.32Å |
| 1030 | L | 94.3 | Very high | 84.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.6 | 174.8 | -61.4 | 178.4 | 0 | 0 | 0 | 108.9 | V1028 Q1048 L1050 F1053 F1074 L1075 L1076 D1077 | V1028-L1030 HydrophobicContact CG1-CD2 4.32Å; L1030-Q1048 WeakPolarHBondContact CA-O 3.43Å; L1030-Q1048 HydrophobicContact CD2-CG 3.9Å; L1030-L1050 HydrophobicContact CB-CD1 4.43Å; L1030-L1050 HydrophobicContact CD1-CD1 3.97Å; L1030-F1053 HydrophobicContact CD1-CD1 3.92Å; L1030-F1053 HydrophobicContact CD1-CE1 4.27Å; L1030-F1053 HydrophobicContact CD1-CG 4.2Å; L1030-F1053 HydrophobicContact CD2-CB 3.6Å; L1030-F1053 HydrophobicContact CD2-CD1 4.36Å; L1030-F1053 HydrophobicContact CD2-CD2 4.33Å; L1030-F1053 HydrophobicContact CD2-CG 3.84Å; L1030-F1074 HydrophobicContact CD1-CB 4.32Å; L1030-F1074 HydrophobicContact CD1-CD1 3.65Å; L1030-F1074 HydrophobicContact CD1-CE1 4.34Å; L1030-F1074 HydrophobicContact CD1-CG 4.27Å; L1030-F1074 HydrophobicContact CG-CD1 4.04Å; L1030-L1075 PolarHBondContact N-O 3.39Å; L1030-L1076 HydrophobicContact CB-CG 4.19Å; L1030-L1076 HydrophobicContact CD1-CG 4.28Å; L1030-L1076 CarbonylContact O-C 3.5Å; L1030-L1076 VanDerWaalsContact O-CA 3.31Å; L1030-L1076 WeakPolarHBondContact O-CA 3.46Å; L1030-D1077 PolarHBondContact O-N 3.5Å |
| 1031 | G | 89 | Confident | 84.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 149 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1033 Q1048 T1049 L1050 | G1031-T1033 VanDerWaalsContact C-N 3.33Å; G1031-Q1048 PolarHBondContact N-O 3.12Å; G1031-T1049 CarbonylContact O-C 3.51Å; G1031-T1049 WeakPolarHBondContact O-CA 3.06Å; G1031-L1050 PolarHBondContact O-N 3.42Å |
| 1032 | P | 85.2 | Confident | 84 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -70.7 | -31.9 | 173.5 | 28.1 | -35.3 | 0 | 0 | 0 | 111.7 | D1077 E1078 M1081 V1082 | P1032-D1077 WeakPolarHBondContact CD-O 3.5Å; P1032-E1078 HydrophobicContact CG-CB 3.89Å; P1032-M1081 HydrophobicContact CB-CB 3.85Å; P1032-M1081 HydrophobicContact CG-CB 3.82Å; P1032-M1081 HydrophobicContact CG-CG 4.35Å; P1032-M1081 HydrophobicContact CG-SD 3.99Å; P1032-V1082 HydrophobicContact CB-CG2 4.19Å |
| 1033 | T | 77.1 | Confident | 84.1 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -121.4 | 155.9 | -177.6 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | G1031 R1035 A1036 V1037 M1081 | G1031-T1033 VanDerWaalsContact C-N 3.33Å; T1033-R1035 PolarHBondContact O-N 3.35Å; T1033-A1036 PolarHBondContact O-N 2.85Å; T1033-A1036 PolarHBondContact OG1-N 3.42Å; T1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; T1033-V1037 PolarHBondContact O-N 2.9Å; T1033-V1037 VanDerWaalsContact O-N 3.16Å; T1033-M1081 HydrophobicContact CG2-CE 3.83Å; T1033-M1081 HydrophobicContact CG2-SD 4.06Å |
| 1034 | H | 74 | Confident | 84.2 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.1 | -27.4 | 173.5 | -74.3 | -71.8 | 0 | 0 | 0 | 113 | V1037 G1038 S1357 V1364 | H1034-V1037 PolarHBondContact O-N 3.07Å; H1034-G1038 PolarHBondContact O-N 2.75Å; H1034-S1357 PolarHBondContact CD2-OG 3.32Å; H1034-S1357 PolarHBondContact CE1-OG 3.32Å; H1034-S1357 PolarHBondContact NE2-OG 3.29Å; H1034-V1364 HydrophobicContact CB-CG1 4.36Å |
| 1035 | R | 74.4 | Confident | 84.1 | Confident | 68 Ų | 68 | 34.5 Ų | 34.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.2 | -47.6 | 176.1 | -170.8 | 174.1 | -168.8 | 139.2 | 16.8 | 111.9 | T1033 V1037 G1038 E1039 G1411 Q1413 | T1033-R1035 PolarHBondContact O-N 3.35Å; R1035-V1037 PolarHBondContact O-N 3.12Å; R1035-G1038 PolarHBondContact O-N 2.93Å; R1035-G1038 VanDerWaalsContact O-N 3.07Å; R1035-E1039 IonicContact NE-OE1 3.14Å; R1035-E1039 PolarHBondContact O-N 3.47Å; R1035-G1411 WeakPolarHBondContact CD-O 3.38Å; R1035-G1411 PolarHBondContact NH1-O 3.35Å; R1035-Q1413 WeakPolarHBondContact CD-O 3.32Å |
| 1036 | A | 79.7 | Confident | 84 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1033 E1039 M1040 | T1033-A1036 PolarHBondContact O-N 2.85Å; T1033-A1036 PolarHBondContact OG1-N 3.42Å; A1036-E1039 PolarHBondContact O-N 3.11Å; A1036-M1040 WeakPolarHBondContact O-CG 3.41Å; A1036-M1040 PolarHBondContact O-N 3.13Å |
| 1037 | V | 82.8 | Confident | 83.9 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 112 | T1033 H1034 R1035 E1039 M1040 R1041 A1047 Q1048 T1049 | T1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; T1033-V1037 PolarHBondContact O-N 2.9Å; T1033-V1037 VanDerWaalsContact O-N 3.16Å; H1034-V1037 PolarHBondContact O-N 3.07Å; R1035-V1037 PolarHBondContact O-N 3.12Å; V1037-E1039 VanDerWaalsContact C-N 3.34Å; V1037-E1039 PolarHBondContact O-N 2.91Å; V1037-M1040 HydrophobicContact CG2-CE 4.38Å; V1037-M1040 PolarHBondContact O-N 3.21Å; V1037-R1041 WeakPolarHBondContact O-CG 3.48Å; V1037-R1041 PolarHBondContact O-N 3.16Å; V1037-A1047 HydrophobicContact CG1-CB 3.92Å; V1037-A1047 WeakPolarHBondContact CG1-O 3.24Å; V1037-Q1048 VanDerWaalsContact CG2-O 3.3Å; V1037-Q1048 WeakPolarHBondContact CG2-O 3.1Å; V1037-T1049 HydrophobicContact CG2-CG2 3.98Å |
| 1038 | G | 77.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 32.4 Ų | 32.4 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | H1034 R1035 R1041 S1042 | H1034-G1038 PolarHBondContact O-N 2.75Å; R1035-G1038 PolarHBondContact O-N 2.93Å; R1035-G1038 VanDerWaalsContact O-N 3.07Å; G1038-R1041 PolarHBondContact O-N 3.21Å; G1038-S1042 WeakPolarHBondContact O-CB 3.41Å; G1038-S1042 PolarHBondContact O-N 3.04Å; G1038-S1042 PolarHBondContact O-OG 2.77Å |
| 1039 | E | 79 | Confident | 83.2 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.3 | -74.5 | 179.4 | -162.4 | 0 | 0 | 112.3 | R1035 A1036 V1037 S1042 A1043 G1414 | R1035-E1039 IonicContact NE-OE1 3.14Å; R1035-E1039 PolarHBondContact O-N 3.47Å; A1036-E1039 PolarHBondContact O-N 3.11Å; V1037-E1039 VanDerWaalsContact C-N 3.34Å; V1037-E1039 PolarHBondContact O-N 2.91Å; E1039-S1042 PolarHBondContact O-N 3.28Å; E1039-A1043 PolarHBondContact O-N 3Å; E1039-A1043 VanDerWaalsContact O-N 3.14Å; E1039-G1414 WeakPolarHBondContact OE1-CA 3.22Å |
| 1040 | M | 85.8 | Confident | 83 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 172.9 | -73.6 | -170.9 | -72.3 | 0 | 0 | 112.1 | F1009 A1036 V1037 S1042 A1043 G1044 V1045 A1047 D1077 | F1009-M1040 HydrophobicContact CD2-CG 4.39Å; F1009-M1040 HydrophobicContact CE2-CG 4.16Å; A1036-M1040 WeakPolarHBondContact O-CG 3.41Å; A1036-M1040 PolarHBondContact O-N 3.13Å; V1037-M1040 HydrophobicContact CG2-CE 4.38Å; V1037-M1040 PolarHBondContact O-N 3.21Å; M1040-S1042 VanDerWaalsContact C-N 3.29Å; M1040-S1042 PolarHBondContact O-N 3.02Å; M1040-A1043 WeakPolarHBondContact O-CA 3.47Å; M1040-A1043 VanDerWaalsContact O-CB 3.24Å; M1040-A1043 WeakPolarHBondContact O-CB 3.47Å; M1040-A1043 PolarHBondContact O-N 2.75Å; M1040-G1044 PolarHBondContact O-N 2.84Å; M1040-V1045 HydrophobicContact CB-CB 4.35Å; M1040-V1045 PolarHBondContact O-N 3.2Å; M1040-V1045 VanDerWaalsContact O-N 3.11Å; M1040-A1047 HydrophobicContact CB-CB 3.9Å; M1040-A1047 HydrophobicContact CE-CB 3.86Å; M1040-A1047 HydrophobicContact SD-CB 4.45Å; M1040-D1077 HydrophobicContact CE-CB 4.24Å; M1040-D1077 HydrophobicContact CG-CB 4.19Å; M1040-D1077 HydrophobicContact SD-CB 3.68Å |
| 1041 | R | 84.1 | Confident | 82.2 | Confident | 131 Ų | 131 | 35.7 Ų | 35.7 | 49% | 0.494 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.1 | -73.7 | 178.8 | -177.8 | -166.9 | -3.8 | 112.2 | V1037 G1038 A1043 G1044 V1045 A1047 | V1037-R1041 WeakPolarHBondContact O-CG 3.48Å; V1037-R1041 PolarHBondContact O-N 3.16Å; G1038-R1041 PolarHBondContact O-N 3.21Å; R1041-A1043 PolarHBondContact O-N 3.18Å; R1041-G1044 WeakPolarHBondContact O-CA 3.31Å; R1041-G1044 PolarHBondContact O-N 2.7Å; R1041-V1045 VanDerWaalsContact CA-O 3.27Å; R1041-V1045 WeakPolarHBondContact CA-O 3.46Å; R1041-A1047 HydrophobicContact CG-CB 4.18Å; R1041-A1047 VanDerWaalsContact CZ-O 3.31Å; R1041-A1047 PolarHBondContact NE-O 2.75Å; R1041-A1047 PolarHBondContact NH2-O 3.32Å |
| 1042 | S | 77.1 | Confident | 81.6 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 63% | 0.629 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.2 | -20.1 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | R1010 G1038 E1039 M1040 G1044 | R1010-S1042 PolarHBondContact NH2-O 3.19Å; G1038-S1042 WeakPolarHBondContact O-CB 3.41Å; G1038-S1042 PolarHBondContact O-N 3.04Å; G1038-S1042 PolarHBondContact O-OG 2.77Å; E1039-S1042 PolarHBondContact O-N 3.28Å; M1040-S1042 VanDerWaalsContact C-N 3.29Å; M1040-S1042 PolarHBondContact O-N 3.02Å; S1042-G1044 VanDerWaalsContact C-N 3.32Å |
| 1043 | A | 81.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1006 F1009 E1039 M1040 R1041 | T1006-A1043 HydrophobicContact CG2-CB 3.65Å; F1009-A1043 HydrophobicContact CB-CB 4.18Å; E1039-A1043 PolarHBondContact O-N 3Å; E1039-A1043 VanDerWaalsContact O-N 3.14Å; M1040-A1043 WeakPolarHBondContact O-CA 3.47Å; M1040-A1043 VanDerWaalsContact O-CB 3.24Å; M1040-A1043 WeakPolarHBondContact O-CB 3.47Å; M1040-A1043 PolarHBondContact O-N 2.75Å; R1041-A1043 PolarHBondContact O-N 3.18Å |
| 1044 | G | 83 | Confident | 81.9 | Confident | 52 Ų | 52 | 33.8 Ų | 33.8 | 54% | 0.536 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 10 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1040 R1041 S1042 | M1040-G1044 PolarHBondContact O-N 2.84Å; R1041-G1044 WeakPolarHBondContact O-CA 3.31Å; R1041-G1044 PolarHBondContact O-N 2.7Å; S1042-G1044 VanDerWaalsContact C-N 3.32Å |
| 1045 | V | 86.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -93.7 | 125.8 | 179 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | F1009 M1013 V1027 M1040 R1041 A1047 L1075 | F1009-V1045 HydrophobicContact CB-CG2 4.44Å; M1013-V1045 HydrophobicContact CG-CG2 3.65Å; M1013-V1045 HydrophobicContact SD-CG2 3.94Å; V1027-V1045 HydrophobicContact CG1-CG1 4.11Å; M1040-V1045 HydrophobicContact CB-CB 4.35Å; M1040-V1045 PolarHBondContact O-N 3.2Å; M1040-V1045 VanDerWaalsContact O-N 3.11Å; R1041-V1045 VanDerWaalsContact CA-O 3.27Å; R1041-V1045 WeakPolarHBondContact CA-O 3.46Å; V1045-A1047 PolarHBondContact O-N 3.28Å; V1045-L1075 HydrophobicContact CG1-CD1 4.28Å; V1045-L1075 HydrophobicContact CG2-CD1 4.18Å | ||
| 1046 | D | 85.6 | Confident | 81.6 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 35% | 0.353 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 127.5 | 168.3 | -179.2 | 24.2 | 0 | 0 | 0 | 108.7 | R829 V1028 G1029 | R829-D1046 IonicContact NH1-OD1 2.8Å; R829-D1046 IonicContact NH1-OD2 3.12Å; V1028-D1046 CarbonylContact C-O 3.55Å; V1028-D1046 WeakPolarHBondContact CA-O 3.46Å; G1029-D1046 PolarHBondContact N-O 2.82Å |
| 1047 | A | 87.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1029 V1037 M1040 R1041 V1045 | G1029-A1047 CarbonylContact O-C 3.57Å; G1029-A1047 WeakPolarHBondContact O-CA 3.25Å; G1029-A1047 WeakPolarHBondContact O-CB 3.22Å; V1037-A1047 HydrophobicContact CG1-CB 3.92Å; V1037-A1047 WeakPolarHBondContact CG1-O 3.24Å; M1040-A1047 HydrophobicContact CB-CB 3.9Å; M1040-A1047 HydrophobicContact CE-CB 3.86Å; M1040-A1047 HydrophobicContact SD-CB 4.45Å; R1041-A1047 HydrophobicContact CG-CB 4.18Å; R1041-A1047 VanDerWaalsContact CZ-O 3.31Å; R1041-A1047 PolarHBondContact NE-O 2.75Å; R1041-A1047 PolarHBondContact NH2-O 3.32Å; V1045-A1047 PolarHBondContact O-N 3.28Å |
| 1048 | Q | 85.4 | Confident | 80.4 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 170.8 | 174.8 | 65.3 | -176.9 | 11.2 | 0 | 0 | 111.5 | G1029 L1030 G1031 V1037 F1053 | G1029-Q1048 PolarHBondContact O-N 3.03Å; L1030-Q1048 WeakPolarHBondContact CA-O 3.43Å; L1030-Q1048 HydrophobicContact CD2-CG 3.9Å; G1031-Q1048 PolarHBondContact N-O 3.12Å; V1037-Q1048 VanDerWaalsContact CG2-O 3.3Å; V1037-Q1048 WeakPolarHBondContact CG2-O 3.1Å; Q1048-F1053 HydrophobicContact CG-CB 4.43Å; Q1048-F1053 VanDerWaalsContact NE2-CB 3.34Å |
| 1049 | T | 84.8 | Confident | 79.6 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 145.1 | 176.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | G1031 V1037 A1051 S1052 F1053 | G1031-T1049 CarbonylContact O-C 3.51Å; G1031-T1049 WeakPolarHBondContact O-CA 3.06Å; V1037-T1049 HydrophobicContact CG2-CG2 3.98Å; T1049-A1051 VanDerWaalsContact C-N 3.29Å; T1049-A1051 PolarHBondContact O-N 3.24Å; T1049-S1052 WeakPolarHBondContact O-CB 3.32Å; T1049-S1052 PolarHBondContact O-N 3.04Å; T1049-S1052 WeakPolarHBondContact OG1-CB 3.35Å; T1049-S1052 PolarHBondContact OG1-OG 3.26Å; T1049-F1053 PolarHBondContact O-N 3.05Å |
| 1050 | L | 89.2 | Confident | 78.8 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 179.4 | -179.8 | 63.1 | 0 | 0 | 0 | 111.8 | L1030 G1031 S1052 F1053 L1054 V1082 D1086 A1090 | L1030-L1050 HydrophobicContact CB-CD1 4.43Å; L1030-L1050 HydrophobicContact CD1-CD1 3.97Å; G1031-L1050 PolarHBondContact O-N 3.42Å; L1050-S1052 VanDerWaalsContact C-N 3.26Å; L1050-S1052 PolarHBondContact O-N 2.93Å; L1050-F1053 HydrophobicContact CD1-CD1 4.24Å; L1050-F1053 WeakPolarHBondContact O-CB 3.42Å; L1050-F1053 PolarHBondContact O-N 3.18Å; L1050-F1053 VanDerWaalsContact O-N 3.14Å; L1050-L1054 HydrophobicContact CD1-CG 4.3Å; L1050-L1054 HydrophobicContact CG-CD1 4.19Å; L1050-L1054 HydrophobicContact CG-CG 4.38Å; L1050-L1054 WeakPolarHBondContact O-CG 3.33Å; L1050-L1054 PolarHBondContact O-N 3.32Å; L1050-V1082 HydrophobicContact CD2-CB 4.32Å; L1050-V1082 HydrophobicContact CD2-CG1 3.42Å; L1050-V1082 VanDerWaalsContact CD2-CG1 3.42Å; L1050-V1082 HydrophobicContact CD2-CG2 3.86Å; L1050-D1086 HydrophobicContact CD2-CB 4.06Å; L1050-A1090 HydrophobicContact CD1-CB 3.95Å |
| 1051 | A | 77.3 | Confident | 77.6 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.6 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1049 H1055 | T1049-A1051 VanDerWaalsContact C-N 3.29Å; T1049-A1051 PolarHBondContact O-N 3.24Å; A1051-H1055 WeakPolarHBondContact O-CB 3.41Å; A1051-H1055 PolarHBondContact O-N 2.9Å |
| 1052 | S | 75.6 | Confident | 76.1 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -40.4 | 176.4 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | T1049 L1050 H1055 D1056 R1359 | T1049-S1052 WeakPolarHBondContact O-CB 3.32Å; T1049-S1052 PolarHBondContact O-N 3.04Å; T1049-S1052 WeakPolarHBondContact OG1-CB 3.35Å; T1049-S1052 PolarHBondContact OG1-OG 3.26Å; L1050-S1052 VanDerWaalsContact C-N 3.26Å; L1050-S1052 PolarHBondContact O-N 2.93Å; S1052-H1055 PolarHBondContact O-N 2.87Å; S1052-D1056 WeakPolarHBondContact O-CB 3.32Å; S1052-D1056 PolarHBondContact O-N 2.93Å; S1052-R1359 PolarHBondContact OG-NH2 3.41Å |
| 1053 | F | 87.1 | Confident | 74.8 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 173.8 | 170.4 | -107.8 | 0 | 0 | 0 | 112 | L1030 Q1048 T1049 L1050 H1055 D1056 T1057 F1069 F1074 I1094 | L1030-F1053 HydrophobicContact CD1-CD1 3.92Å; L1030-F1053 HydrophobicContact CD1-CE1 4.27Å; L1030-F1053 HydrophobicContact CD1-CG 4.2Å; L1030-F1053 HydrophobicContact CD2-CB 3.6Å; L1030-F1053 HydrophobicContact CD2-CD1 4.36Å; L1030-F1053 HydrophobicContact CD2-CD2 4.33Å; L1030-F1053 HydrophobicContact CD2-CG 3.84Å; Q1048-F1053 HydrophobicContact CG-CB 4.43Å; Q1048-F1053 VanDerWaalsContact NE2-CB 3.34Å; T1049-F1053 PolarHBondContact O-N 3.05Å; L1050-F1053 HydrophobicContact CD1-CD1 4.24Å; L1050-F1053 WeakPolarHBondContact O-CB 3.42Å; L1050-F1053 PolarHBondContact O-N 3.18Å; L1050-F1053 VanDerWaalsContact O-N 3.14Å; F1053-H1055 VanDerWaalsContact C-N 3.33Å; F1053-H1055 PolarHBondContact O-N 2.88Å; F1053-D1056 PolarHBondContact O-N 3.01Å; F1053-T1057 WeakPolarHBondContact CE2-OG1 3.32Å; F1053-T1057 WeakPolarHBondContact O-CB 3.24Å; F1053-T1057 PolarHBondContact O-N 3.28Å; F1053-T1057 PolarHBondContact O-OG1 3.13Å; F1053-F1069 HydrophobicContact CE2-CE1 4.26Å; F1053-F1069 HydrophobicContact CE2-CE2 4.43Å; F1053-F1069 AromaticContact CE2-CZ 3.81Å; F1053-F1069 HydrophobicContact CE2-CZ 3.81Å; F1053-F1069 HydrophobicContact CZ-CE2 4.05Å; F1053-F1069 AromaticContact CZ-CZ 3.88Å; F1053-F1069 HydrophobicContact CZ-CZ 3.88Å; F1053-F1074 HydrophobicContact CD2-CE1 4.2Å; F1053-F1074 AromaticContact CE2-CE1 3.61Å; F1053-F1074 HydrophobicContact CE2-CE1 3.61Å; F1053-F1074 AromaticContact CE2-CZ 3.76Å; F1053-F1074 HydrophobicContact CE2-CZ 3.76Å; F1053-F1074 AromaticContact CZ-CE1 3.88Å; F1053-F1074 HydrophobicContact CZ-CE1 3.88Å; F1053-F1074 AromaticContact CZ-CZ 3.85Å; F1053-F1074 HydrophobicContact CZ-CZ 3.85Å; F1053-I1094 HydrophobicContact CE1-CG1 4.43Å; F1053-I1094 HydrophobicContact CZ-CG1 4.35Å |
| 1054 | L | 83.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.5 | -68.2 | 178.5 | 0 | 0 | 0 | 111.2 | L1050 Q1058 D1086 R1089 A1090 L1093 | L1050-L1054 HydrophobicContact CD1-CG 4.3Å; L1050-L1054 HydrophobicContact CG-CD1 4.19Å; L1050-L1054 HydrophobicContact CG-CG 4.38Å; L1050-L1054 WeakPolarHBondContact O-CG 3.33Å; L1050-L1054 PolarHBondContact O-N 3.32Å; L1054-Q1058 WeakPolarHBondContact O-CB 3.27Å; L1054-Q1058 PolarHBondContact O-N 3.22Å; L1054-D1086 HydrophobicContact CD1-CB 3.85Å; L1054-R1089 HydrophobicContact CD2-CB 4.19Å; L1054-R1089 HydrophobicContact CD2-CG 3.98Å; L1054-A1090 HydrophobicContact CD2-CB 4.11Å; L1054-L1093 HydrophobicContact CD2-CD1 3.78Å |
| 1055 | H | 70.5 | Confident | 71.7 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -48.9 | 177.6 | -175.6 | 79.4 | 0 | 0 | 0 | 112.4 | A1051 S1052 F1053 T1057 Q1058 L1059 | A1051-H1055 WeakPolarHBondContact O-CB 3.41Å; A1051-H1055 PolarHBondContact O-N 2.9Å; S1052-H1055 PolarHBondContact O-N 2.87Å; F1053-H1055 VanDerWaalsContact C-N 3.33Å; F1053-H1055 PolarHBondContact O-N 2.88Å; H1055-T1057 PolarHBondContact O-N 3.35Å; H1055-Q1058 PolarHBondContact O-N 2.87Å; H1055-L1059 WeakPolarHBondContact O-CB 3.49Å; H1055-L1059 PolarHBondContact O-N 3.47Å |
| 1056 | D | 69.8 | Low | 70.4 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -42 | -178.7 | -70.8 | -17.3 | 0 | 0 | 0 | 111.1 | S1052 F1053 L1059 Q1060 | S1052-D1056 WeakPolarHBondContact O-CB 3.32Å; S1052-D1056 PolarHBondContact O-N 2.93Å; F1053-D1056 PolarHBondContact O-N 3.01Å; D1056-L1059 WeakPolarHBondContact O-CB 2.9Å; D1056-L1059 PolarHBondContact O-N 3.43Å; D1056-Q1060 WeakPolarHBondContact O-CG 3.24Å; D1056-Q1060 PolarHBondContact O-N 2.82Å |
| 1057 | T | 73.4 | Confident | 69.6 | Low | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 178.4 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | F1053 H1055 L1059 Q1060 Q1061 P1067 F1069 L1093 | F1053-T1057 WeakPolarHBondContact CE2-OG1 3.32Å; F1053-T1057 WeakPolarHBondContact O-CB 3.24Å; F1053-T1057 PolarHBondContact O-N 3.28Å; F1053-T1057 PolarHBondContact O-OG1 3.13Å; H1055-T1057 PolarHBondContact O-N 3.35Å; T1057-L1059 VanDerWaalsContact C-N 3.27Å; T1057-L1059 PolarHBondContact O-N 2.8Å; T1057-Q1060 WeakPolarHBondContact O-CB 3.37Å; T1057-Q1060 PolarHBondContact O-N 2.77Å; T1057-Q1061 PolarHBondContact O-N 3.07Å; T1057-P1067 HydrophobicContact CG2-CB 3.95Å; T1057-P1067 HydrophobicContact CG2-CG 3.55Å; T1057-F1069 HydrophobicContact CG2-CE2 4.27Å; T1057-F1069 HydrophobicContact CG2-CZ 3.97Å; T1057-L1093 HydrophobicContact CG2-CB 4.49Å; T1057-L1093 HydrophobicContact CG2-CD1 3.95Å; T1057-L1093 HydrophobicContact CG2-CD2 3.99Å; T1057-L1093 HydrophobicContact CG2-CG 4.37Å |
| 1058 | Q | 64.7 | Low | 69.3 | Low | 73 Ų | 73 | 51.5 Ų | 51.5 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.8 | -30.3 | 174 | -170.7 | 172.1 | 24.9 | 0 | 0 | 111.7 | L1054 H1055 R1062 | L1054-Q1058 WeakPolarHBondContact O-CB 3.27Å; L1054-Q1058 PolarHBondContact O-N 3.22Å; H1055-Q1058 PolarHBondContact O-N 2.87Å; Q1058-R1062 WeakPolarHBondContact O-CB 3.41Å; Q1058-R1062 VanDerWaalsContact O-CG 3.25Å; Q1058-R1062 WeakPolarHBondContact O-CG 3.16Å; Q1058-R1062 PolarHBondContact O-N 3.2Å; Q1058-R1062 VanDerWaalsContact O-N 3.11Å; Q1058-R1062 PolarHBondContact O-NE 3.2Å; Q1058-R1062 VanDerWaalsContact O-NE 3.14Å |
| 1059 | L | 60.4 | Low | 69.4 | Low | 80 Ų | 80 | 51.5 Ų | 51.5 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 168.9 | -162.7 | 79.4 | 0 | 0 | 0 | 110.2 | H1055 D1056 T1057 Q1061 R1062 S1063 | H1055-L1059 WeakPolarHBondContact O-CB 3.49Å; H1055-L1059 PolarHBondContact O-N 3.47Å; D1056-L1059 WeakPolarHBondContact O-CB 2.9Å; D1056-L1059 PolarHBondContact O-N 3.43Å; T1057-L1059 VanDerWaalsContact C-N 3.27Å; T1057-L1059 PolarHBondContact O-N 2.8Å; L1059-Q1061 PolarHBondContact O-N 3.03Å; L1059-R1062 PolarHBondContact O-N 3.15Å; L1059-S1063 PolarHBondContact O-N 3.22Å; L1059-S1063 PolarHBondContact O-OG 3.08Å |
| 1060 | Q | 62.9 | Low | 69.3 | Low | 32 Ų | 32 | 54.8 Ų | 54.8 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.6 | -50.1 | 176.5 | -70.5 | 173.6 | -24.2 | 0 | 0 | 112.2 | D1056 T1057 R1062 S1063 G1064 E1065 | D1056-Q1060 WeakPolarHBondContact O-CG 3.24Å; D1056-Q1060 PolarHBondContact O-N 2.82Å; T1057-Q1060 WeakPolarHBondContact O-CB 3.37Å; T1057-Q1060 PolarHBondContact O-N 2.77Å; Q1060-R1062 VanDerWaalsContact C-N 3.34Å; Q1060-R1062 PolarHBondContact O-N 3.34Å; Q1060-S1063 CarbonylContact O-C 3.54Å; Q1060-S1063 WeakPolarHBondContact O-CA 3.2Å; Q1060-S1063 VanDerWaalsContact O-CB 3.31Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.44Å; Q1060-S1063 PolarHBondContact O-N 2.93Å; Q1060-S1063 VanDerWaalsContact O-N 3.1Å; Q1060-G1064 PolarHBondContact O-N 3.24Å; Q1060-E1065 CarbonylContact C-O 3.55Å; Q1060-E1065 HydrophobicContact CB-CB 4.23Å; Q1060-E1065 WeakPolarHBondContact CG-OE2 3.36Å; Q1060-E1065 WeakPolarHBondContact O-CB 3.44Å; Q1060-E1065 PolarHBondContact O-N 3.39Å |
| 1061 | Q | 59.7 | Low | 69.3 | Low | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.7 | -73.6 | -170.8 | -29.3 | 0 | 0 | 113 | T1057 L1059 S1063 G1064 E1065 P1067 L1093 | T1057-Q1061 PolarHBondContact O-N 3.07Å; L1059-Q1061 PolarHBondContact O-N 3.03Å; Q1061-S1063 VanDerWaalsContact C-N 3.28Å; Q1061-S1063 PolarHBondContact O-N 3.2Å; Q1061-G1064 WeakPolarHBondContact O-CA 3.42Å; Q1061-G1064 PolarHBondContact O-N 2.87Å; Q1061-E1065 WeakPolarHBondContact CA-O 3.42Å; Q1061-P1067 HydrophobicContact CG-CG 3.71Å; Q1061-L1093 VanDerWaalsContact NE2-CD2 3.26Å |
| 1062 | R | 52.5 | Low | 69.9 | Low | 121 Ų | 121 | 55.6 Ų | 55.6 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 175.8 | -76.5 | -177.3 | -65.5 | 167.7 | -1.2 | 112.7 | T841 Q1058 L1059 Q1060 G1064 | T841-R1062 WeakPolarHBondContact CG2-O 3.24Å; T841-R1062 PolarHBondContact OG1-O 3.44Å; Q1058-R1062 WeakPolarHBondContact O-CB 3.41Å; Q1058-R1062 VanDerWaalsContact O-CG 3.25Å; Q1058-R1062 WeakPolarHBondContact O-CG 3.16Å; Q1058-R1062 PolarHBondContact O-N 3.2Å; Q1058-R1062 VanDerWaalsContact O-N 3.11Å; Q1058-R1062 PolarHBondContact O-NE 3.2Å; Q1058-R1062 VanDerWaalsContact O-NE 3.14Å; L1059-R1062 PolarHBondContact O-N 3.15Å; Q1060-R1062 VanDerWaalsContact C-N 3.34Å; Q1060-R1062 PolarHBondContact O-N 3.34Å; R1062-G1064 PolarHBondContact O-N 2.88Å |
| 1063 | S | 50.7 | Low | 70.8 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6 | 167.6 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | S839 L1059 Q1060 Q1061 E1065 | S839-S1063 WeakPolarHBondContact CB-O 3.34Å; S839-S1063 WeakPolarHBondContact O-CA 3.37Å; S839-S1063 VanDerWaalsContact OG-CB 3.27Å; S839-S1063 WeakPolarHBondContact OG-CB 3.43Å; S839-S1063 PolarHBondContact OG-O 3.22Å; L1059-S1063 PolarHBondContact O-N 3.22Å; L1059-S1063 PolarHBondContact O-OG 3.08Å; Q1060-S1063 CarbonylContact O-C 3.54Å; Q1060-S1063 WeakPolarHBondContact O-CA 3.2Å; Q1060-S1063 VanDerWaalsContact O-CB 3.31Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.44Å; Q1060-S1063 PolarHBondContact O-N 2.93Å; Q1060-S1063 VanDerWaalsContact O-N 3.1Å; Q1061-S1063 VanDerWaalsContact C-N 3.28Å; Q1061-S1063 PolarHBondContact O-N 3.2Å; S1063-E1065 PolarHBondContact O-N 3.04Å |
| 1064 | G | 45.7 | Very low | 71.3 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 12.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1060 Q1061 R1062 | Q1060-G1064 PolarHBondContact O-N 3.24Å; Q1061-G1064 WeakPolarHBondContact O-CA 3.42Å; Q1061-G1064 PolarHBondContact O-N 2.87Å; R1062-G1064 PolarHBondContact O-N 2.88Å |
| 1065 | E | 52.4 | Low | 71.8 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | trans | -79.5 | 129.2 | 165.7 | -62.8 | -179.3 | 169.4 | 0 | 0 | 108.5 | Q1060 Q1061 S1063 P1067 | Q1060-E1065 CarbonylContact C-O 3.55Å; Q1060-E1065 HydrophobicContact CB-CB 4.23Å; Q1060-E1065 WeakPolarHBondContact CG-OE2 3.36Å; Q1060-E1065 WeakPolarHBondContact O-CB 3.44Å; Q1060-E1065 PolarHBondContact O-N 3.39Å; Q1061-E1065 WeakPolarHBondContact CA-O 3.42Å; S1063-E1065 PolarHBondContact O-N 3.04Å; E1065-P1067 WeakPolarHBondContact O-CD 3.39Å | ||
| 1066 | T | 60.3 | Low | 72.9 | Confident | 125 Ų | 125 | 49.7 Ų | 49.7 | 77% | 0.767 | 28% | 0.276 | S | S | * | . | trans | -81.8 | 114.8 | 167.6 | 48.9 | 0 | 0 | 0 | 0 | 108.3 | D1068 | T1066-D1068 PolarHBondContact O-N 3.4Š| ||
| 1067 | P | 68.7 | Low | 74 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 13% | 0.13 | 27% | 0.268 | C | S | . | . | trans | -60.2 | 124.9 | 177.9 | -19.4 | 31.3 | 0 | 0 | 0 | 110.1 | T1057 Q1061 E1065 F1069 G1097 | T1057-P1067 HydrophobicContact CG2-CB 3.95Å; T1057-P1067 HydrophobicContact CG2-CG 3.55Å; Q1061-P1067 HydrophobicContact CG-CG 3.71Å; E1065-P1067 WeakPolarHBondContact O-CD 3.39Å; P1067-F1069 HydrophobicContact CB-CD2 4.35Å; P1067-F1069 HydrophobicContact CB-CE1 4.26Å; P1067-F1069 HydrophobicContact CB-CE2 3.63Å; P1067-F1069 HydrophobicContact CB-CZ 3.58Å; P1067-G1097 VanDerWaalsContact O-CA 3.28Å; P1067-G1097 WeakPolarHBondContact O-CA 3.3Å | ||
| 1068 | D | 80.2 | Confident | 74.8 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | trans | -105.9 | 117.1 | 173.2 | -177 | -0.7 | 0 | 0 | 0 | 109.3 | T1066 S1070 | T1066-D1068 PolarHBondContact O-N 3.4Å; D1068-S1070 VanDerWaalsContact OD1-CB 3.23Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.31Å; D1068-S1070 PolarHBondContact OD1-N 3.16Å; D1068-S1070 PolarHBondContact OD1-OG 3.46Å | ||
| 1069 | F | 87.7 | Confident | 76.1 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | trans | -121.5 | 15.5 | 179.3 | -57 | -46.1 | 0 | 0 | 0 | 112.1 | F1053 T1057 P1067 N1071 T1072 F1074 G1097 G1099 | F1053-F1069 HydrophobicContact CE2-CE1 4.26Å; F1053-F1069 HydrophobicContact CE2-CE2 4.43Å; F1053-F1069 AromaticContact CE2-CZ 3.81Å; F1053-F1069 HydrophobicContact CE2-CZ 3.81Å; F1053-F1069 HydrophobicContact CZ-CE2 4.05Å; F1053-F1069 AromaticContact CZ-CZ 3.88Å; F1053-F1069 HydrophobicContact CZ-CZ 3.88Å; T1057-F1069 HydrophobicContact CG2-CE2 4.27Å; T1057-F1069 HydrophobicContact CG2-CZ 3.97Å; P1067-F1069 HydrophobicContact CB-CD2 4.35Å; P1067-F1069 HydrophobicContact CB-CE1 4.26Å; P1067-F1069 HydrophobicContact CB-CE2 3.63Å; P1067-F1069 HydrophobicContact CB-CZ 3.58Å; F1069-N1071 PolarHBondContact O-N 3.45Å; F1069-T1072 WeakPolarHBondContact O-CB 3.16Å; F1069-T1072 PolarHBondContact O-N 3.43Å; F1069-T1072 PolarHBondContact O-OG1 3.07Å; F1069-F1074 HydrophobicContact CB-CE2 4.05Å; F1069-F1074 HydrophobicContact CD1-CE2 4.18Å; F1069-F1074 AromaticContact CD1-CZ 3.83Å; F1069-F1074 HydrophobicContact CD1-CZ 3.83Å; F1069-F1074 HydrophobicContact CD2-CE2 4.23Å; F1069-F1074 HydrophobicContact CD2-CZ 4.35Å; F1069-F1074 HydrophobicContact CE1-CZ 4.05Å; F1069-F1074 AromaticContact CG-CE2 3.9Å; F1069-F1074 HydrophobicContact CG-CE2 3.9Å; F1069-F1074 AromaticContact CG-CZ 4Å; F1069-F1074 HydrophobicContact CG-CZ 4Å; F1069-F1074 HydrophobicContact CZ-CZ 4.4Å; F1069-G1097 CarbonylContact C-O 3.59Å; F1069-G1097 VanDerWaalsContact CA-O 3.24Å; F1069-G1097 WeakPolarHBondContact CA-O 3.43Å; F1069-G1097 WeakPolarHBondContact CB-O 3.37Å; F1069-G1097 PolarHBondContact N-O 3.19Å; F1069-G1099 WeakPolarHBondContact O-CA 3.3Å; F1069-G1099 PolarHBondContact O-N 2.73Å | ||
| 1070 | S | 83.7 | Confident | 77.4 | Confident | 84 Ų | 84 | 41.4 Ų | 41.4 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.5 | -170.7 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | D1068 G1097 | D1068-S1070 VanDerWaalsContact OD1-CB 3.23Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.31Å; D1068-S1070 PolarHBondContact OD1-N 3.16Å; D1068-S1070 PolarHBondContact OD1-OG 3.46Å; S1070-G1097 PolarHBondContact N-O 3.11Å |
| 1071 | N | 87.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 38.4 | 174 | -165.1 | 26.6 | 0 | 0 | 0 | 113 | R1024 P1025 R1026 F1069 | R1024-N1071 PolarHBondContact O-ND2 3.44Å; R1024-N1071 VanDerWaalsContact O-ND2 3.15Å; P1025-N1071 WeakPolarHBondContact CA-O 3.39Å; P1025-N1071 WeakPolarHBondContact CA-OD1 3.45Å; R1026-N1071 PolarHBondContact N-O 3.43Å; F1069-N1071 PolarHBondContact O-N 3.45Å |
| 1072 | T | 91.8 | Very high | 80 | Confident | 17 Ų | 17 | 37.6 Ų | 37.6 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.5 | -178.1 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | R1026 V1028 F1069 F1074 R1100 | R1026-T1072 HydrophobicContact CB-CG2 4.43Å; R1026-T1072 CarbonylContact O-C 3.6Å; R1026-T1072 WeakPolarHBondContact O-CA 3.3Å; R1026-T1072 WeakPolarHBondContact O-CG2 3.43Å; V1028-T1072 HydrophobicContact CG2-CG2 4.02Å; F1069-T1072 WeakPolarHBondContact O-CB 3.16Å; F1069-T1072 PolarHBondContact O-N 3.43Å; F1069-T1072 PolarHBondContact O-OG1 3.07Å; T1072-F1074 HydrophobicContact CG2-CD2 4.06Å; T1072-F1074 HydrophobicContact CG2-CE1 4.11Å; T1072-F1074 HydrophobicContact CG2-CE2 3.59Å; T1072-F1074 HydrophobicContact CG2-CZ 3.63Å; T1072-R1100 PolarHBondContact O-N 3.07Å |
| 1073 | L | 94.2 | Very high | 81.7 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.3 | 171.5 | 176.6 | 65.1 | 0 | 0 | 0 | 109.7 | L964 I987 V1012 R1026 V1027 V1028 L1075 R1100 V1102 | L964-L1073 HydrophobicContact CD1-CD1 4.44Å; L964-L1073 HydrophobicContact CD1-CD2 3.9Å; I987-L1073 HydrophobicContact CG2-CD2 4.03Å; V1012-L1073 HydrophobicContact CG1-CD2 4.48Å; R1026-L1073 PolarHBondContact O-N 2.63Å; V1027-L1073 CarbonylContact C-O 3.53Å; V1027-L1073 WeakPolarHBondContact CA-O 3.15Å; V1027-L1073 HydrophobicContact CG1-CD2 4.49Å; V1027-L1073 HydrophobicContact CG2-CB 4.46Å; V1027-L1073 HydrophobicContact CG2-CD2 4.37Å; V1028-L1073 PolarHBondContact N-O 2.65Å; L1073-L1075 HydrophobicContact CD2-CD2 4.3Å; L1073-L1075 HydrophobicContact CG-CD2 4.28Å; L1073-R1100 HydrophobicContact CD1-CB 3.85Å; L1073-V1102 HydrophobicContact CD1-CG2 3.95Å |
| 1074 | F | 95.8 | Very high | 83.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.6 | 173.7 | -65.7 | -82.6 | 0 | 0 | 0 | 111.2 | V1028 L1030 F1053 F1069 T1072 L1076 I1094 R1100 A1101 V1102 | V1028-F1074 HydrophobicContact CB-CD1 3.88Å; V1028-F1074 HydrophobicContact CB-CE1 3.99Å; V1028-F1074 HydrophobicContact CG1-CD1 4.15Å; V1028-F1074 HydrophobicContact CG1-CE1 4.12Å; V1028-F1074 HydrophobicContact CG2-CE1 4.5Å; V1028-F1074 CarbonylContact O-C 3.49Å; V1028-F1074 VanDerWaalsContact O-CA 3.27Å; V1028-F1074 WeakPolarHBondContact O-CA 3.37Å; L1030-F1074 HydrophobicContact CD1-CB 4.32Å; L1030-F1074 HydrophobicContact CD1-CD1 3.65Å; L1030-F1074 HydrophobicContact CD1-CE1 4.34Å; L1030-F1074 HydrophobicContact CD1-CG 4.27Å; L1030-F1074 HydrophobicContact CG-CD1 4.04Å; F1053-F1074 HydrophobicContact CD2-CE1 4.2Å; F1053-F1074 AromaticContact CE2-CE1 3.61Å; F1053-F1074 HydrophobicContact CE2-CE1 3.61Å; F1053-F1074 AromaticContact CE2-CZ 3.76Å; F1053-F1074 HydrophobicContact CE2-CZ 3.76Å; F1053-F1074 AromaticContact CZ-CE1 3.88Å; F1053-F1074 HydrophobicContact CZ-CE1 3.88Å; F1053-F1074 AromaticContact CZ-CZ 3.85Å; F1053-F1074 HydrophobicContact CZ-CZ 3.85Å; F1069-F1074 HydrophobicContact CB-CE2 4.05Å; F1069-F1074 HydrophobicContact CD1-CE2 4.18Å; F1069-F1074 AromaticContact CD1-CZ 3.83Å; F1069-F1074 HydrophobicContact CD1-CZ 3.83Å; F1069-F1074 HydrophobicContact CD2-CE2 4.23Å; F1069-F1074 HydrophobicContact CD2-CZ 4.35Å; F1069-F1074 HydrophobicContact CE1-CZ 4.05Å; F1069-F1074 AromaticContact CG-CE2 3.9Å; F1069-F1074 HydrophobicContact CG-CE2 3.9Å; F1069-F1074 AromaticContact CG-CZ 4Å; F1069-F1074 HydrophobicContact CG-CZ 4Å; F1069-F1074 HydrophobicContact CZ-CZ 4.4Å; T1072-F1074 HydrophobicContact CG2-CD2 4.06Å; T1072-F1074 HydrophobicContact CG2-CE1 4.11Å; T1072-F1074 HydrophobicContact CG2-CE2 3.59Å; T1072-F1074 HydrophobicContact CG2-CZ 3.63Å; F1074-L1076 HydrophobicContact CB-CD1 4.17Å; F1074-I1094 HydrophobicContact CB-CD1 4.1Å; F1074-I1094 HydrophobicContact CD2-CB 4.49Å; F1074-I1094 HydrophobicContact CD2-CD1 3.76Å; F1074-I1094 HydrophobicContact CD2-CG1 3.73Å; F1074-I1094 HydrophobicContact CD2-CG2 3.99Å; F1074-I1094 HydrophobicContact CE2-CD1 4.33Å; F1074-I1094 HydrophobicContact CE2-CG1 3.83Å; F1074-I1094 HydrophobicContact CE2-CG2 4.33Å; F1074-I1094 HydrophobicContact CG-CD1 3.9Å; F1074-I1094 HydrophobicContact CG-CG1 4.32Å; F1074-I1094 HydrophobicContact CZ-CG1 4.49Å; F1074-R1100 WeakPolarHBondContact CB-O 3.07Å; F1074-R1100 WeakPolarHBondContact CD2-O 3.41Å; F1074-R1100 PolarHBondContact N-O 3.26Å; F1074-A1101 HydrophobicContact CB-CB 4.21Å; F1074-A1101 CarbonylContact O-C 3.47Å; F1074-A1101 VanDerWaalsContact O-CA 3.31Å; F1074-A1101 WeakPolarHBondContact O-CA 3.41Å; F1074-V1102 PolarHBondContact O-N 2.76Å |
| 1075 | L | 95.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 101.1 | 173 | -61.9 | 179.7 | 0 | 0 | 0 | 108.8 | F1009 V1027 V1028 G1029 L1030 V1045 L1073 D1077 V1102 | F1009-L1075 HydrophobicContact CD1-CD1 4.1Å; F1009-L1075 HydrophobicContact CE1-CD1 4.4Å; V1027-L1075 HydrophobicContact CG1-CD1 3.62Å; V1027-L1075 HydrophobicContact CG1-CG 3.94Å; V1028-L1075 PolarHBondContact O-N 2.83Å; G1029-L1075 CarbonylContact C-O 3.59Å; G1029-L1075 WeakPolarHBondContact CA-O 3.32Å; L1030-L1075 PolarHBondContact N-O 3.39Å; V1045-L1075 HydrophobicContact CG1-CD1 4.28Å; V1045-L1075 HydrophobicContact CG2-CD1 4.18Å; L1073-L1075 HydrophobicContact CD2-CD2 4.3Å; L1073-L1075 HydrophobicContact CG-CD2 4.28Å; L1075-D1077 PolarHBondContact O-N 3.13Å; L1075-V1102 HydrophobicContact CD2-CB 3.88Å; L1075-V1102 HydrophobicContact CD2-CG2 3.93Å |
| 1076 | L | 94.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 97.4 | 177.9 | -65 | 89 | 0 | 0 | 0 | 109.4 | L1030 F1074 S1079 M1087 Y1091 A1101 V1102 S1104 | L1030-L1076 HydrophobicContact CB-CG 4.19Å; L1030-L1076 HydrophobicContact CD1-CG 4.28Å; L1030-L1076 CarbonylContact O-C 3.5Å; L1030-L1076 VanDerWaalsContact O-CA 3.31Å; L1030-L1076 WeakPolarHBondContact O-CA 3.46Å; F1074-L1076 HydrophobicContact CB-CD1 4.17Å; L1076-S1079 PolarHBondContact O-OG 2.86Å; L1076-M1087 HydrophobicContact CD2-CE 4.41Å; L1076-M1087 HydrophobicContact CD2-SD 3.86Å; L1076-Y1091 HydrophobicContact CD2-CE1 4.39Å; L1076-A1101 HydrophobicContact CD1-CB 3.56Å; L1076-V1102 PolarHBondContact N-O 2.81Å; L1076-S1104 PolarHBondContact O-N 2.95Å; L1076-S1104 VanDerWaalsContact O-O 3.07Å |
| 1077 | D | 91.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 153.3 | 177.3 | -165.1 | 26.1 | 0 | 0 | 0 | 112.1 | K1005 F1009 L1030 P1032 M1040 L1075 S1079 S1104 | K1005-D1077 IonicContact NZ-OD1 3.44Å; K1005-D1077 PolarHBondContact NZ-OD1 3.37Å; F1009-D1077 HydrophobicContact CE2-CB 4.13Å; F1009-D1077 HydrophobicContact CZ-CB 4.2Å; L1030-D1077 PolarHBondContact O-N 3.5Å; P1032-D1077 WeakPolarHBondContact CD-O 3.5Å; M1040-D1077 HydrophobicContact CE-CB 4.24Å; M1040-D1077 HydrophobicContact CG-CB 4.19Å; M1040-D1077 HydrophobicContact SD-CB 3.68Å; L1075-D1077 PolarHBondContact O-N 3.13Å; D1077-S1079 PolarHBondContact O-N 2.91Å; D1077-S1104 CarbonylContact C-O 3.31Å; D1077-S1104 PolarHBondContact OD1-OG 3.43Å; D1077-S1104 VanDerWaalsContact OD1-OG 3.06Å |
| 1078 | E | 90.5 | Very high | 89.9 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40 | -178 | -143.8 | 62.8 | -164.1 | 0 | 0 | 113.8 | K1005 P1032 S1080 M1081 S1104 Q1109 Q1413 | K1005-E1078 IonicContact NZ-OE2 2.84Å; K1005-E1078 PolarHBondContact NZ-OE2 3.25Å; P1032-E1078 HydrophobicContact CG-CB 3.89Å; E1078-S1080 PolarHBondContact O-N 3.02Å; E1078-M1081 HydrophobicContact CG-CG 4.1Å; E1078-M1081 HydrophobicContact CG-SD 3.92Å; E1078-M1081 PolarHBondContact O-N 3.15Å; E1078-S1104 PolarHBondContact N-O 2.76Å; E1078-Q1109 PolarHBondContact OE1-OE1 3.27Å; E1078-Q1413 HydrophobicContact CG-CG 4.09Å; E1078-Q1413 WeakPolarHBondContact OE1-CG 3.47Å; E1078-Q1413 PolarHBondContact OE1-NE2 3.4Å |
| 1079 | S | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.5 | -16.9 | -175.6 | -70.1 | 0 | 0 | 0 | 0 | 114.6 | L1076 D1077 M1081 V1082 S1104 | L1076-S1079 PolarHBondContact O-OG 2.86Å; D1077-S1079 PolarHBondContact O-N 2.91Å; S1079-M1081 PolarHBondContact O-N 3.45Å; S1079-V1082 PolarHBondContact O-N 3.45Å; S1079-S1104 WeakPolarHBondContact CB-O 3.02Å; S1079-S1104 PolarHBondContact N-O 2.98Å; S1079-S1104 PolarHBondContact OG-O 3.44Å |
| 1080 | S | 89.4 | Confident | 90.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -64.9 | -20.2 | 172.9 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | E1078 D1106 Q1111 A1112 | E1078-S1080 PolarHBondContact O-N 3.02Å; S1080-D1106 VanDerWaalsContact CB-O 3.25Å; S1080-D1106 WeakPolarHBondContact CB-O 3.37Å; S1080-D1106 PolarHBondContact OG-O 2.7Å; S1080-D1106 VanDerWaalsContact OG-O 3.04Å; S1080-Q1111 CarbonylContact O-C 3.6Å; S1080-Q1111 WeakPolarHBondContact O-CA 3.42Å; S1080-A1112 PolarHBondContact O-N 3.07Å |
| 1081 | M | 87.2 | Confident | 91.2 | Very high | 31 Ų | 31 | 19.7 Ų | 19.7 | 15% | 0.153 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -90.2 | -0.8 | 175.8 | -56.9 | -176.7 | 74.7 | 0 | 0 | 114.2 | P1032 T1033 E1078 S1079 A1112 Q1413 | P1032-M1081 HydrophobicContact CB-CB 3.85Å; P1032-M1081 HydrophobicContact CG-CB 3.82Å; P1032-M1081 HydrophobicContact CG-CG 4.35Å; P1032-M1081 HydrophobicContact CG-SD 3.99Å; T1033-M1081 HydrophobicContact CG2-CE 3.83Å; T1033-M1081 HydrophobicContact CG2-SD 4.06Å; E1078-M1081 HydrophobicContact CG-CG 4.1Å; E1078-M1081 HydrophobicContact CG-SD 3.92Å; E1078-M1081 PolarHBondContact O-N 3.15Å; S1079-M1081 PolarHBondContact O-N 3.45Å; M1081-A1112 WeakPolarHBondContact O-CA 3.41Å; M1081-A1112 VanDerWaalsContact O-CB 3.3Å; M1081-A1112 WeakPolarHBondContact O-CB 3.35Å; M1081-Q1413 HydrophobicContact SD-CB 4.44Å; M1081-Q1413 HydrophobicContact SD-CG 4.12Å; M1081-Q1413 PolarHBondContact SD-OE1 3.41Å |
| 1082 | V | 89.3 | Confident | 91.3 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 6% | 0.055 | 10% | 0.099 | C | C | . | . | trans | -96 | 131 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | P1032 L1050 S1079 D1086 M1087 P1118 | P1032-V1082 HydrophobicContact CB-CG2 4.19Å; L1050-V1082 HydrophobicContact CD2-CB 4.32Å; L1050-V1082 HydrophobicContact CD2-CG1 3.42Å; L1050-V1082 VanDerWaalsContact CD2-CG1 3.42Å; L1050-V1082 HydrophobicContact CD2-CG2 3.86Å; S1079-V1082 PolarHBondContact O-N 3.45Å; V1082-D1086 HydrophobicContact CG1-CB 4.01Å; V1082-M1087 HydrophobicContact CB-CE 3.98Å; V1082-M1087 HydrophobicContact CG1-CB 4.07Å; V1082-M1087 HydrophobicContact CG1-CE 3.95Å; V1082-P1118 WeakPolarHBondContact O-CD 3.45Å; V1082-P1118 WeakPolarHBondContact O-CG 3.44Å | ||
| 1083 | G | 88.3 | Confident | 91.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | trans | -81.1 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1085 M1087 | G1083-T1085 PolarHBondContact O-N 3.07Å; G1083-M1087 PolarHBondContact O-N 2.87Å; G1083-M1087 VanDerWaalsContact O-N 3.14Å | ||
| 1084 | N | 88.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.011 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | -175.4 | -78.7 | -10.4 | 0 | 0 | 0 | 112.8 | A946 E947 D1086 M1087 A1088 P1115 G1116 P1118 | A946-N1084 HydrophobicContact CB-CB 4.12Å; E947-N1084 WeakPolarHBondContact CG-ND2 2.81Å; E947-N1084 PolarHBondContact OE1-ND2 3.29Å; N1084-D1086 PolarHBondContact O-N 3.01Å; N1084-M1087 PolarHBondContact O-N 2.67Å; N1084-A1088 VanDerWaalsContact O-CB 3.22Å; N1084-A1088 WeakPolarHBondContact O-CB 3.36Å; N1084-A1088 PolarHBondContact O-N 3.11Å; N1084-P1115 PolarHBondContact N-O 3.19Å; N1084-G1116 WeakPolarHBondContact ND2-CA 3.36Å; N1084-P1118 WeakPolarHBondContact OD1-CD 3.2Å |
| 1085 | T | 85.8 | Confident | 90.8 | Very high | 82 Ų | 82 | 18.4 Ų | 18.4 | 50% | 0.503 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -60.7 | -48.7 | -176.1 | -51.8 | 0 | 0 | 0 | 0 | 112.2 | G1083 R1089 | G1083-T1085 PolarHBondContact O-N 3.07Å; T1085-R1089 WeakPolarHBondContact O-CB 3.42Å; T1085-R1089 PolarHBondContact O-N 2.96Å |
| 1086 | D | 89.4 | Confident | 90.4 | Very high | 59 Ų | 59 | 22.3 Ų | 22.3 | 32% | 0.316 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69.4 | -40.2 | -178.2 | -74.2 | -11.2 | 0 | 0 | 0 | 111.4 | L1050 L1054 V1082 N1084 R1089 A1090 | L1050-D1086 HydrophobicContact CD2-CB 4.06Å; L1054-D1086 HydrophobicContact CD1-CB 3.85Å; V1082-D1086 HydrophobicContact CG1-CB 4.01Å; N1084-D1086 PolarHBondContact O-N 3.01Å; D1086-R1089 PolarHBondContact O-N 2.93Å; D1086-A1090 VanDerWaalsContact O-CB 3.26Å; D1086-A1090 WeakPolarHBondContact O-CB 3.04Å; D1086-A1090 PolarHBondContact O-N 2.78Å |
| 1087 | M | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 176.8 | -168.8 | 68.4 | 77.2 | 0 | 0 | 111.7 | I950 L1076 V1082 G1083 N1084 R1089 A1090 Y1091 P1118 | I950-M1087 HydrophobicContact CD1-CB 3.96Å; I950-M1087 HydrophobicContact CD1-CG 4.09Å; I950-M1087 HydrophobicContact CG1-CG 4.33Å; L1076-M1087 HydrophobicContact CD2-CE 4.41Å; L1076-M1087 HydrophobicContact CD2-SD 3.86Å; V1082-M1087 HydrophobicContact CB-CE 3.98Å; V1082-M1087 HydrophobicContact CG1-CB 4.07Å; V1082-M1087 HydrophobicContact CG1-CE 3.95Å; G1083-M1087 PolarHBondContact O-N 2.87Å; G1083-M1087 VanDerWaalsContact O-N 3.14Å; N1084-M1087 PolarHBondContact O-N 2.67Å; M1087-R1089 VanDerWaalsContact C-N 3.31Å; M1087-R1089 PolarHBondContact O-N 3.47Å; M1087-A1090 PolarHBondContact O-N 3.11Å; M1087-Y1091 HydrophobicContact CG-CD1 4.45Å; M1087-Y1091 HydrophobicContact CG-CE1 4.24Å; M1087-Y1091 HydrophobicContact CG-CE2 4.46Å; M1087-Y1091 PolarHBondContact O-N 2.89Å; M1087-Y1091 HydrophobicContact SD-CD1 4.05Å; M1087-Y1091 HydrophobicContact SD-CE1 3.48Å; M1087-Y1091 WeakPolarHBondContact SD-CE1 3.28Å; M1087-P1118 HydrophobicContact CB-CB 3.85Å; M1087-P1118 HydrophobicContact CB-CG 3.84Å; M1087-P1118 HydrophobicContact CE-CG 4.27Å; M1087-P1118 HydrophobicContact CG-CB 3.89Å; M1087-P1118 HydrophobicContact CG-CG 4.22Å |
| 1088 | A | 92 | Very high | 89.8 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A946 I950 N1084 A1092 | A946-A1088 HydrophobicContact CB-CB 4.12Å; I950-A1088 HydrophobicContact CD1-CB 4.17Å; I950-A1088 HydrophobicContact CG1-CB 3.82Å; N1084-A1088 VanDerWaalsContact O-CB 3.22Å; N1084-A1088 WeakPolarHBondContact O-CB 3.36Å; N1084-A1088 PolarHBondContact O-N 3.11Å; A1088-A1092 WeakPolarHBondContact O-CB 3.25Å; A1088-A1092 PolarHBondContact O-N 2.91Å |
| 1089 | R | 89.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 23.2 Ų | 23.2 | 39% | 0.392 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.7 | -168.9 | 178 | -68.1 | 177.4 | 3.3 | 111.8 | L1054 T1085 D1086 M1087 A1092 L1093 | L1054-R1089 HydrophobicContact CD2-CB 4.19Å; L1054-R1089 HydrophobicContact CD2-CG 3.98Å; T1085-R1089 WeakPolarHBondContact O-CB 3.42Å; T1085-R1089 PolarHBondContact O-N 2.96Å; D1086-R1089 PolarHBondContact O-N 2.93Å; M1087-R1089 VanDerWaalsContact C-N 3.31Å; M1087-R1089 PolarHBondContact O-N 3.47Å; R1089-A1092 PolarHBondContact O-N 2.74Å; R1089-L1093 HydrophobicContact CG-CD1 4.09Å; R1089-L1093 HydrophobicContact CG-CG 4.49Å; R1089-L1093 WeakPolarHBondContact O-CB 3.46Å; R1089-L1093 VanDerWaalsContact O-CG 3.28Å; R1089-L1093 WeakPolarHBondContact O-CG 3.23Å; R1089-L1093 PolarHBondContact O-N 3.42Å |
| 1090 | A | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1050 L1054 D1086 M1087 A1092 L1093 I1094 | L1050-A1090 HydrophobicContact CD1-CB 3.95Å; L1054-A1090 HydrophobicContact CD2-CB 4.11Å; D1086-A1090 VanDerWaalsContact O-CB 3.26Å; D1086-A1090 WeakPolarHBondContact O-CB 3.04Å; D1086-A1090 PolarHBondContact O-N 2.78Å; M1087-A1090 PolarHBondContact O-N 3.11Å; A1090-A1092 PolarHBondContact O-N 3.14Å; A1090-L1093 PolarHBondContact O-N 3.13Å; A1090-I1094 WeakPolarHBondContact O-CB 3.32Å; A1090-I1094 WeakPolarHBondContact O-CD1 3.23Å; A1090-I1094 WeakPolarHBondContact O-CG1 3.49Å; A1090-I1094 PolarHBondContact O-N 3.29Å |
| 1091 | Y | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | -179.9 | -77.8 | 14 | 0 | 0 | 0 | 112 | I950 I954 F994 L1076 M1087 I1094 A1095 A1101 Q1122 | I950-Y1091 HydrophobicContact CG2-CD2 4.16Å; I950-Y1091 HydrophobicContact CG2-CE2 4.1Å; I954-Y1091 HydrophobicContact CD1-CE2 4.15Å; I954-Y1091 HydrophobicContact CG1-CD2 4.34Å; I954-Y1091 HydrophobicContact CG1-CE2 3.94Å; F994-Y1091 HydrophobicContact CD1-CD1 4.03Å; F994-Y1091 HydrophobicContact CD1-CD2 4.05Å; F994-Y1091 AromaticContact CD1-CE1 3.92Å; F994-Y1091 HydrophobicContact CD1-CE1 3.92Å; F994-Y1091 AromaticContact CD1-CE2 3.95Å; F994-Y1091 HydrophobicContact CD1-CE2 3.95Å; F994-Y1091 HydrophobicContact CD1-CG 4.09Å; F994-Y1091 AromaticContact CD1-CZ 3.89Å; F994-Y1091 AromaticContact CE1-CD1 3.59Å; F994-Y1091 HydrophobicContact CE1-CD1 3.59Å; F994-Y1091 AromaticContact CE1-CD2 3.99Å; F994-Y1091 HydrophobicContact CE1-CD2 3.99Å; F994-Y1091 AromaticContact CE1-CE1 3.95Å; F994-Y1091 HydrophobicContact CE1-CE1 3.95Å; F994-Y1091 HydrophobicContact CE1-CE2 4.32Å; F994-Y1091 AromaticContact CE1-CG 3.61Å; F994-Y1091 HydrophobicContact CE1-CG 3.61Å; F994-Y1091 HydrophobicContact CG-CD2 4.46Å; F994-Y1091 HydrophobicContact CG-CE2 4.33Å; F994-Y1091 HydrophobicContact CZ-CD1 4.36Å; F994-Y1091 HydrophobicContact CZ-CD2 4.32Å; F994-Y1091 AromaticContact CZ-CG 3.97Å; F994-Y1091 HydrophobicContact CZ-CG 3.97Å; L1076-Y1091 HydrophobicContact CD2-CE1 4.39Å; M1087-Y1091 HydrophobicContact CG-CD1 4.45Å; M1087-Y1091 HydrophobicContact CG-CE1 4.24Å; M1087-Y1091 HydrophobicContact CG-CE2 4.46Å; M1087-Y1091 PolarHBondContact O-N 2.89Å; M1087-Y1091 HydrophobicContact SD-CD1 4.05Å; M1087-Y1091 HydrophobicContact SD-CE1 3.48Å; M1087-Y1091 WeakPolarHBondContact SD-CE1 3.28Å; Y1091-I1094 PolarHBondContact O-N 3.18Å; Y1091-A1095 WeakPolarHBondContact O-CB 3.42Å; Y1091-A1095 PolarHBondContact O-N 2.81Å; Y1091-A1101 HydrophobicContact CE1-CB 4.46Å; Y1091-Q1122 PolarHBondContact OH-OE1 3.27Å; Y1091-Q1122 VanDerWaalsContact OH-OE1 3.08Å |
| 1092 | A | 90.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 23 Ų | 23 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1088 R1089 A1090 A1096 | A1088-A1092 WeakPolarHBondContact O-CB 3.25Å; A1088-A1092 PolarHBondContact O-N 2.91Å; R1089-A1092 PolarHBondContact O-N 2.74Å; A1090-A1092 PolarHBondContact O-N 3.14Å; A1092-A1096 VanDerWaalsContact O-CB 3.23Å; A1092-A1096 WeakPolarHBondContact O-CB 3.06Å; A1092-A1096 PolarHBondContact O-N 3.27Å |
| 1093 | L | 89.1 | Confident | 90.9 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 178.8 | -70.6 | 172.5 | 0 | 0 | 0 | 112.4 | L1054 T1057 Q1061 R1089 A1090 A1096 G1097 | L1054-L1093 HydrophobicContact CD2-CD1 3.78Å; T1057-L1093 HydrophobicContact CG2-CB 4.49Å; T1057-L1093 HydrophobicContact CG2-CD1 3.95Å; T1057-L1093 HydrophobicContact CG2-CD2 3.99Å; T1057-L1093 HydrophobicContact CG2-CG 4.37Å; Q1061-L1093 VanDerWaalsContact NE2-CD2 3.26Å; R1089-L1093 HydrophobicContact CG-CD1 4.09Å; R1089-L1093 HydrophobicContact CG-CG 4.49Å; R1089-L1093 WeakPolarHBondContact O-CB 3.46Å; R1089-L1093 VanDerWaalsContact O-CG 3.28Å; R1089-L1093 WeakPolarHBondContact O-CG 3.23Å; R1089-L1093 PolarHBondContact O-N 3.42Å; A1090-L1093 PolarHBondContact O-N 3.13Å; L1093-A1096 PolarHBondContact O-N 3.21Å; L1093-G1097 PolarHBondContact O-N 3.06Å |
| 1094 | I | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 178.7 | -68.2 | 169.4 | 0 | 0 | 0 | 110.1 | F994 F1053 F1074 A1090 Y1091 G1097 G1098 G1099 A1101 | F994-I1094 HydrophobicContact CE1-CG2 4.23Å; F994-I1094 HydrophobicContact CZ-CG2 4.45Å; F1053-I1094 HydrophobicContact CE1-CG1 4.43Å; F1053-I1094 HydrophobicContact CZ-CG1 4.35Å; F1074-I1094 HydrophobicContact CB-CD1 4.1Å; F1074-I1094 HydrophobicContact CD2-CB 4.49Å; F1074-I1094 HydrophobicContact CD2-CD1 3.76Å; F1074-I1094 HydrophobicContact CD2-CG1 3.73Å; F1074-I1094 HydrophobicContact CD2-CG2 3.99Å; F1074-I1094 HydrophobicContact CE2-CD1 4.33Å; F1074-I1094 HydrophobicContact CE2-CG1 3.83Å; F1074-I1094 HydrophobicContact CE2-CG2 4.33Å; F1074-I1094 HydrophobicContact CG-CD1 3.9Å; F1074-I1094 HydrophobicContact CG-CG1 4.32Å; F1074-I1094 HydrophobicContact CZ-CG1 4.49Å; A1090-I1094 WeakPolarHBondContact O-CB 3.32Å; A1090-I1094 WeakPolarHBondContact O-CD1 3.23Å; A1090-I1094 WeakPolarHBondContact O-CG1 3.49Å; A1090-I1094 PolarHBondContact O-N 3.29Å; Y1091-I1094 PolarHBondContact O-N 3.18Å; I1094-G1097 PolarHBondContact O-N 2.97Å; I1094-G1098 PolarHBondContact O-N 2.94Å; I1094-G1098 VanDerWaalsContact O-N 3.14Å; I1094-G1099 VanDerWaalsContact CG2-C 3.49Å; I1094-G1099 WeakPolarHBondContact CG2-O 3.15Å; I1094-G1099 PolarHBondContact O-N 3.3Å; I1094-A1101 HydrophobicContact CD1-CB 4Å; I1094-A1101 HydrophobicContact CG2-CB 4.33Å |
| 1095 | A | 90.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F994 Y1091 G1097 G1098 | F994-A1095 HydrophobicContact CE2-CB 4.46Å; F994-A1095 HydrophobicContact CZ-CB 4.28Å; Y1091-A1095 WeakPolarHBondContact O-CB 3.42Å; Y1091-A1095 PolarHBondContact O-N 2.81Å; A1095-G1097 VanDerWaalsContact C-N 3.29Å; A1095-G1097 PolarHBondContact O-N 2.86Å; A1095-G1098 PolarHBondContact O-N 3.23Å; A1095-G1098 VanDerWaalsContact O-N 3.11Å |
| 1096 | A | 85.7 | Confident | 91.5 | Very high | 82 Ų | 82 | 18.5 Ų | 18.5 | 68% | 0.678 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -63.4 | -34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1092 L1093 G1098 | A1092-A1096 VanDerWaalsContact O-CB 3.23Å; A1092-A1096 WeakPolarHBondContact O-CB 3.06Å; A1092-A1096 PolarHBondContact O-N 3.27Å; L1093-A1096 PolarHBondContact O-N 3.21Å; A1096-G1098 VanDerWaalsContact C-N 3.34Å |
| 1097 | G | 85.1 | Confident | 91.4 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 7% | 0.072 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 0.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1067 F1069 S1070 L1093 I1094 A1095 G1099 | P1067-G1097 VanDerWaalsContact O-CA 3.28Å; P1067-G1097 WeakPolarHBondContact O-CA 3.3Å; F1069-G1097 CarbonylContact C-O 3.59Å; F1069-G1097 VanDerWaalsContact CA-O 3.24Å; F1069-G1097 WeakPolarHBondContact CA-O 3.43Å; F1069-G1097 WeakPolarHBondContact CB-O 3.37Å; F1069-G1097 PolarHBondContact N-O 3.19Å; S1070-G1097 PolarHBondContact N-O 3.11Å; L1093-G1097 PolarHBondContact O-N 3.06Å; I1094-G1097 PolarHBondContact O-N 2.97Å; A1095-G1097 VanDerWaalsContact C-N 3.29Å; A1095-G1097 PolarHBondContact O-N 2.86Å; G1097-G1099 VanDerWaalsContact C-N 3.3Å; G1097-G1099 PolarHBondContact O-N 3.03Å |
| 1098 | G | 88.3 | Confident | 90.9 | Very high | 31 Ų | 31 | 17.7 Ų | 17.7 | 32% | 0.32 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 15.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1094 A1095 A1096 | I1094-G1098 PolarHBondContact O-N 2.94Å; I1094-G1098 VanDerWaalsContact O-N 3.14Å; A1095-G1098 PolarHBondContact O-N 3.23Å; A1095-G1098 VanDerWaalsContact O-N 3.11Å; A1096-G1098 VanDerWaalsContact C-N 3.34Å |
| 1099 | G | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -83.1 | 170.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R993 F1069 I1094 G1097 | R993-G1099 WeakPolarHBondContact CD-O 3.37Å; R993-G1099 WeakPolarHBondContact CG-O 3.44Å; F1069-G1099 WeakPolarHBondContact O-CA 3.3Å; F1069-G1099 PolarHBondContact O-N 2.73Å; I1094-G1099 VanDerWaalsContact CG2-C 3.49Å; I1094-G1099 WeakPolarHBondContact CG2-O 3.15Å; I1094-G1099 PolarHBondContact O-N 3.3Å; G1097-G1099 VanDerWaalsContact C-N 3.3Å; G1097-G1099 PolarHBondContact O-N 3.03Å | ||
| 1100 | R | 94.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 12.9 Ų | 12.9 | 10% | 0.098 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 152.8 | 175.3 | -62.5 | 176.7 | -170.1 | -113.2 | -12.5 | 111.5 | V961 T962 T990 R993 T1072 L1073 F1074 | V961-R1100 HydrophobicContact CG2-CG 4.35Å; V961-R1100 VanDerWaalsContact CG2-NH2 3.35Å; T962-R1100 VanDerWaalsContact C-NH2 3.33Å; T962-R1100 VanDerWaalsContact N-NH2 3.1Å; T962-R1100 PolarHBondContact O-NH1 3.39Å; T962-R1100 PolarHBondContact O-NH2 3.21Å; T990-R1100 PolarHBondContact O-NH1 2.92Å; R993-R1100 WeakPolarHBondContact O-CA 3.35Å; T1072-R1100 PolarHBondContact O-N 3.07Å; L1073-R1100 HydrophobicContact CD1-CB 3.85Å; F1074-R1100 WeakPolarHBondContact CB-O 3.07Å; F1074-R1100 WeakPolarHBondContact CD2-O 3.41Å; F1074-R1100 PolarHBondContact N-O 3.26Å |
| 1101 | A | 95.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R993 F994 T995 F1074 L1076 Y1091 I1094 | R993-A1101 PolarHBondContact O-N 3.01Å; F994-A1101 WeakPolarHBondContact CA-O 3.46Å; F994-A1101 HydrophobicContact CD1-CB 3.69Å; F994-A1101 HydrophobicContact CE1-CB 3.78Å; T995-A1101 PolarHBondContact N-O 2.88Å; T995-A1101 VanDerWaalsContact N-O 3.09Å; F1074-A1101 HydrophobicContact CB-CB 4.21Å; F1074-A1101 CarbonylContact O-C 3.47Å; F1074-A1101 VanDerWaalsContact O-CA 3.31Å; F1074-A1101 WeakPolarHBondContact O-CA 3.41Å; L1076-A1101 HydrophobicContact CD1-CB 3.56Å; Y1091-A1101 HydrophobicContact CE1-CB 4.46Å; I1094-A1101 HydrophobicContact CD1-CB 4Å; I1094-A1101 HydrophobicContact CG2-CB 4.33Å |
| 1102 | V | 95.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.3 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | I987 T995 V997 L1073 F1074 L1075 L1076 | I987-V1102 HydrophobicContact CB-CG2 4.37Å; I987-V1102 HydrophobicContact CD1-CG1 3.81Å; I987-V1102 HydrophobicContact CD1-CG2 4.24Å; I987-V1102 HydrophobicContact CG1-CB 4.41Å; I987-V1102 HydrophobicContact CG1-CG1 3.8Å; I987-V1102 HydrophobicContact CG1-CG2 3.79Å; I987-V1102 HydrophobicContact CG2-CG2 3.96Å; T995-V1102 CarbonylContact O-C 3.47Å; T995-V1102 WeakPolarHBondContact O-CA 3.39Å; V997-V1102 HydrophobicContact CG2-CG1 3.83Å; L1073-V1102 HydrophobicContact CD1-CG2 3.95Å; F1074-V1102 PolarHBondContact O-N 2.76Å; L1075-V1102 HydrophobicContact CD2-CB 3.88Å; L1075-V1102 HydrophobicContact CD2-CG2 3.93Å; L1076-V1102 PolarHBondContact N-O 2.81Å |
| 1103 | A | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T995 V996 V997 F1119 Q1122 | T995-A1103 PolarHBondContact O-N 2.8Å; V996-A1103 CarbonylContact C-O 3.43Å; V996-A1103 WeakPolarHBondContact CA-O 3.49Å; V997-A1103 PolarHBondContact N-O 3.16Å; A1103-F1119 HydrophobicContact CB-CD2 4.3Å; A1103-F1119 HydrophobicContact CB-CE2 4.29Å; A1103-Q1122 VanDerWaalsContact CB-NE2 3.32Å |
| 1104 | S | 93.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 141.8 | 172.8 | 166 | 0 | 0 | 0 | 0 | 110.2 | V997 L1076 D1077 E1078 S1079 | V997-S1104 WeakPolarHBondContact O-CA 3.33Å; L1076-S1104 PolarHBondContact O-N 2.95Å; L1076-S1104 VanDerWaalsContact O-O 3.07Å; D1077-S1104 CarbonylContact C-O 3.31Å; D1077-S1104 PolarHBondContact OD1-OG 3.43Å; D1077-S1104 VanDerWaalsContact OD1-OG 3.06Å; E1078-S1104 PolarHBondContact N-O 2.76Å; S1079-S1104 WeakPolarHBondContact CB-O 3.02Å; S1079-S1104 PolarHBondContact N-O 2.98Å; S1079-S1104 PolarHBondContact OG-O 3.44Å |
| 1105 | G | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -171.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V997 G999 F1119 | V997-G1105 PolarHBondContact O-N 3.15Å; V997-G1105 VanDerWaalsContact O-N 3.13Å; G999-G1105 PolarHBondContact N-O 2.92Å; G1105-F1119 VanDerWaalsContact N-CZ 3.33Å; G1105-F1119 WeakPolarHBondContact O-CZ 3.35Å |
| 1106 | D | 90.2 | Very high | 86 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -135.6 | 113.3 | 176.5 | -168.4 | -9.5 | 0 | 0 | 0 | 110.1 | Q998 G999 Y1000 A1001 S1080 D1108 Q1109 Y1440 | Q998-D1106 PolarHBondContact NE2-OD1 3.31Å; G999-D1106 WeakPolarHBondContact O-CB 3.4Å; Y1000-D1106 WeakPolarHBondContact CA-OD2 3.43Å; A1001-D1106 PolarHBondContact N-OD2 2.77Å; S1080-D1106 VanDerWaalsContact CB-O 3.25Å; S1080-D1106 WeakPolarHBondContact CB-O 3.37Å; S1080-D1106 PolarHBondContact OG-O 2.7Å; S1080-D1106 VanDerWaalsContact OG-O 3.04Å; D1106-D1108 PolarHBondContact O-N 2.79Å; D1106-D1108 PolarHBondContact OD1-N 3.35Å; D1106-D1108 VanDerWaalsContact OD1-N 3.13Å; D1106-Q1109 HydrophobicContact CB-CB 4.2Å; D1106-Q1109 HydrophobicContact CB-CG 3.77Å; D1106-Q1109 PolarHBondContact O-N 3.36Å; D1106-Q1109 PolarHBondContact OD2-NE2 2.82Å; D1106-Y1440 WeakPolarHBondContact OD2-CE1 3.41Å; D1106-Y1440 PolarHBondContact OD2-OH 3.01Å | ||
| 1107 | T | 87.3 | Confident | 86 | Confident | 16 Ų | 16 | 16.6 Ų | 16.6 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.3 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | Q998 Q1111 R1120 Q1123 | Q998-T1107 PolarHBondContact OE1-OG1 2.82Å; T1107-Q1111 PolarHBondContact O-NE2 3.2Å; T1107-R1120 HydrophobicContact CG2-CB 3.89Å; T1107-R1120 HydrophobicContact CG2-CG 3.86Å; T1107-Q1123 PolarHBondContact OG1-NE2 2.79Å; T1107-Q1123 VanDerWaalsContact OG1-NE2 3.1Å; T1107-Q1123 PolarHBondContact OG1-OE1 3.03Å |
| 1108 | D | 84.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 16.3 Ų | 16.3 | 13% | 0.134 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.2 | -178.4 | -72.9 | -44.2 | 0 | 0 | 0 | 113.6 | D1106 R1153 F1436 Y1440 | D1106-D1108 PolarHBondContact O-N 2.79Å; D1106-D1108 PolarHBondContact OD1-N 3.35Å; D1106-D1108 VanDerWaalsContact OD1-N 3.13Å; D1108-R1153 IonicContact OD1-CZ 3.99Å; D1108-R1153 IonicContact OD1-NH2 3.01Å; D1108-R1153 PolarHBondContact OD1-NH2 2.9Å; D1108-F1436 HydrophobicContact CB-CE1 4.15Å; D1108-Y1440 HydrophobicContact CB-CD1 4.21Å; D1108-Y1440 HydrophobicContact CB-CE1 4.15Å; D1108-Y1440 WeakPolarHBondContact O-CD1 3.29Å |
| 1109 | Q | 86.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -81.8 | -179 | 173.5 | -68.9 | -173.8 | 48.8 | 0 | 0 | 111.9 | E1078 D1106 Q1111 E1437 Y1440 V1441 | E1078-Q1109 PolarHBondContact OE1-OE1 3.27Å; D1106-Q1109 HydrophobicContact CB-CB 4.2Å; D1106-Q1109 HydrophobicContact CB-CG 3.77Å; D1106-Q1109 PolarHBondContact O-N 3.36Å; D1106-Q1109 PolarHBondContact OD2-NE2 2.82Å; Q1109-Q1111 PolarHBondContact O-N 2.86Å; Q1109-Q1111 PolarHBondContact O-NE2 2.84Å; Q1109-E1437 WeakPolarHBondContact O-CG 3.48Å; Q1109-Y1440 HydrophobicContact CG-CD1 3.74Å; Q1109-Y1440 HydrophobicContact CG-CE1 3.58Å; Q1109-V1441 HydrophobicContact CB-CG2 3.95Å; Q1109-V1441 HydrophobicContact CG-CG2 4.07Å |
| 1110 | L | 81.7 | Confident | 86.4 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 6% | 0.058 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 137 | 179 | -67.5 | 163.2 | 0 | 0 | 0 | 110.7 | A1409 H1410 E1437 V1441 | L1110-A1409 HydrophobicContact CD1-CB 4.16Å; L1110-H1410 HydrophobicContact CD1-CB 4.35Å; L1110-E1437 HydrophobicContact CD2-CB 4.2Å; L1110-V1441 HydrophobicContact CB-CG2 4.39Å; L1110-V1441 HydrophobicContact CD1-CB 4.18Å; L1110-V1441 HydrophobicContact CD1-CG1 3.97Å; L1110-V1441 HydrophobicContact CD1-CG2 3.98Å; L1110-V1441 HydrophobicContact CG-CB 4.26Å; L1110-V1441 HydrophobicContact CG-CG2 3.72Å |
| 1111 | Q | 79.8 | Confident | 86.1 | Confident | 22 Ų | 22 | 16.2 Ų | 16.2 | 10% | 0.103 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 168.2 | -178.9 | -56.2 | -62.5 | -55.9 | 0 | 0 | 111.2 | S1080 T1107 Q1109 | S1080-Q1111 CarbonylContact O-C 3.6Å; S1080-Q1111 WeakPolarHBondContact O-CA 3.42Å; T1107-Q1111 PolarHBondContact O-NE2 3.2Å; Q1109-Q1111 PolarHBondContact O-N 2.86Å; Q1109-Q1111 PolarHBondContact O-NE2 2.84Å |
| 1112 | A | 77.8 | Confident | 85.9 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 3% | 0.025 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -53.8 | 140.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1080 M1081 A1114 | S1080-A1112 PolarHBondContact O-N 3.07Å; M1081-A1112 WeakPolarHBondContact O-CA 3.41Å; M1081-A1112 VanDerWaalsContact O-CB 3.3Å; M1081-A1112 WeakPolarHBondContact O-CB 3.35Å; A1112-A1114 VanDerWaalsContact C-N 3.34Å; A1112-A1114 WeakPolarHBondContact CB-O 3.25Å |
| 1113 | I | 74.2 | Confident | 85.5 | Confident | 127 Ų | 127 | 17.6 Ų | 17.6 | 65% | 0.651 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -69.8 | -40.4 | 166.5 | -60.4 | 174.5 | 0 | 0 | 0 | 109 | ||
| 1114 | A | 73.2 | Confident | 84.9 | Confident | 34 Ų | 34 | 19.9 Ų | 19.9 | 28% | 0.281 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -63.2 | 153.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1112 | A1112-A1114 VanDerWaalsContact C-N 3.34Å; A1112-A1114 WeakPolarHBondContact CB-O 3.25Å |
| 1115 | P | 76.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 20.8 Ų | 20.8 | 14% | 0.136 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -59 | 142.6 | -179.7 | -24 | 33.5 | 0 | 0 | 0 | 114.1 | E883 L887 N1084 | E883-P1115 HydrophobicContact CB-CB 3.75Å; E883-P1115 HydrophobicContact CB-CG 3.48Å; E883-P1115 VanDerWaalsContact CB-CG 3.48Å; L887-P1115 HydrophobicContact CD2-CB 4.19Å; N1084-P1115 PolarHBondContact N-O 3.19Å |
| 1116 | G | 79.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 21 Ų | 21 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | trans | 98.7 | 167.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | N1084 | N1084-G1116 WeakPolarHBondContact ND2-CA 3.36Š| ||
| 1117 | Q | 86.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | trans | -136.2 | 63.8 | 177.9 | -66 | -173.1 | -10.4 | 0 | 0 | 110.5 | F1119 R1120 L1121 K1470 T1472 | Q1117-F1119 PolarHBondContact O-N 2.77Å; Q1117-R1120 HydrophobicContact CB-CB 4.13Å; Q1117-R1120 PolarHBondContact O-N 3.29Å; Q1117-R1120 VanDerWaalsContact O-N 3.14Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.42Å; Q1117-L1121 PolarHBondContact O-N 3.39Å; Q1117-K1470 PolarHBondContact NE2-O 3.24Å; Q1117-K1470 VanDerWaalsContact NE2-O 3.14Å; Q1117-K1470 PolarHBondContact OE1-O 3.15Å; Q1117-T1472 HydrophobicContact CB-CG2 4.16Å | ||
| 1118 | P | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.9 | -33.5 | -172 | 28.1 | -36.6 | 0 | 0 | 0 | 112.3 | I950 V1082 N1084 M1087 R1120 L1121 Q1122 | I950-P1118 HydrophobicContact CD1-CB 3.65Å; V1082-P1118 WeakPolarHBondContact O-CD 3.45Å; V1082-P1118 WeakPolarHBondContact O-CG 3.44Å; N1084-P1118 WeakPolarHBondContact OD1-CD 3.2Å; M1087-P1118 HydrophobicContact CB-CB 3.85Å; M1087-P1118 HydrophobicContact CB-CG 3.84Å; M1087-P1118 HydrophobicContact CE-CG 4.27Å; M1087-P1118 HydrophobicContact CG-CB 3.89Å; M1087-P1118 HydrophobicContact CG-CG 4.22Å; P1118-R1120 PolarHBondContact O-N 2.68Å; P1118-L1121 PolarHBondContact O-N 2.9Å; P1118-Q1122 WeakPolarHBondContact O-CG 3.3Å; P1118-Q1122 PolarHBondContact O-N 2.84Å |
| 1119 | F | 92.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 178.1 | -173.3 | -111.4 | 0 | 0 | 0 | 113.4 | V996 A1103 G1105 Q1117 Q1122 Q1123 | V996-F1119 HydrophobicContact CG1-CD2 4.46Å; V996-F1119 HydrophobicContact CG1-CE2 3.75Å; V996-F1119 HydrophobicContact CG1-CZ 4.23Å; A1103-F1119 HydrophobicContact CB-CD2 4.3Å; A1103-F1119 HydrophobicContact CB-CE2 4.29Å; G1105-F1119 VanDerWaalsContact N-CZ 3.33Å; G1105-F1119 WeakPolarHBondContact O-CZ 3.35Å; Q1117-F1119 PolarHBondContact O-N 2.77Å; F1119-Q1122 WeakPolarHBondContact O-CG 3.42Å; F1119-Q1123 WeakPolarHBondContact O-CG 3.2Å; F1119-Q1123 PolarHBondContact O-NE2 3.44Å |
| 1120 | R | 88.7 | Confident | 83.5 | Confident | 54 Ų | 54 | 22.3 Ų | 22.3 | 20% | 0.204 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.8 | -46.7 | 172.2 | -177.5 | -172.5 | 177.3 | 127.8 | -7 | 110.4 | T1107 Q1117 P1118 Q1122 Q1123 T1124 Q1469 | T1107-R1120 HydrophobicContact CG2-CB 3.89Å; T1107-R1120 HydrophobicContact CG2-CG 3.86Å; Q1117-R1120 HydrophobicContact CB-CB 4.13Å; Q1117-R1120 PolarHBondContact O-N 3.29Å; Q1117-R1120 VanDerWaalsContact O-N 3.14Å; P1118-R1120 PolarHBondContact O-N 2.68Å; R1120-Q1122 VanDerWaalsContact C-N 3.3Å; R1120-Q1122 PolarHBondContact O-N 3.44Å; R1120-Q1123 WeakPolarHBondContact O-CB 3.41Å; R1120-Q1123 PolarHBondContact O-N 2.97Å; R1120-T1124 HydrophobicContact CG-CG2 4.11Å; R1120-T1124 PolarHBondContact O-N 3.34Å; R1120-T1124 PolarHBondContact O-OG1 3.37Å; R1120-T1124 VanDerWaalsContact O-OG1 3.08Å; R1120-Q1469 VanDerWaalsContact NH1-CD 3.26Å |
| 1121 | L | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -52.9 | -47.7 | -179.2 | -177.3 | 77.9 | 0 | 0 | 0 | 111.2 | E947 L951 Q1117 P1118 Q1123 T1124 R1125 T1472 H1474 | E947-L1121 HydrophobicContact CB-CD2 3.63Å; E947-L1121 HydrophobicContact CG-CD2 3.76Å; L951-L1121 HydrophobicContact CD2-CD2 4.32Å; L951-L1121 HydrophobicContact CD2-CG 4.16Å; L951-L1121 HydrophobicContact CG-CD2 4.18Å; L951-L1121 HydrophobicContact CG-CG 4.45Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.42Å; Q1117-L1121 PolarHBondContact O-N 3.39Å; P1118-L1121 PolarHBondContact O-N 2.9Å; L1121-Q1123 VanDerWaalsContact C-N 3.3Å; L1121-Q1123 PolarHBondContact O-N 3.43Å; L1121-T1124 PolarHBondContact O-N 3.19Å; L1121-R1125 HydrophobicContact CD1-CB 4.14Å; L1121-R1125 HydrophobicContact CD1-CG 3.84Å; L1121-R1125 WeakPolarHBondContact O-CA 3.46Å; L1121-R1125 WeakPolarHBondContact O-CB 3.4Å; L1121-R1125 PolarHBondContact O-N 3.31Å; L1121-T1472 HydrophobicContact CB-CG2 4.22Å; L1121-T1472 HydrophobicContact CD1-CG2 4.07Å; L1121-H1474 HydrophobicContact CD1-CB 4.11Å |
| 1122 | Q | 91.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -34.4 | 177.9 | 64.4 | -177.8 | 0.6 | 0 | 0 | 112.8 | I954 V996 Y1091 A1103 P1118 F1119 R1120 S1126 | I954-Q1122 HydrophobicContact CD1-CB 3.6Å; V996-Q1122 HydrophobicContact CG1-CG 4.38Å; V996-Q1122 HydrophobicContact CG2-CB 4.37Å; V996-Q1122 HydrophobicContact CG2-CG 3.82Å; Y1091-Q1122 PolarHBondContact OH-OE1 3.27Å; Y1091-Q1122 VanDerWaalsContact OH-OE1 3.08Å; A1103-Q1122 VanDerWaalsContact CB-NE2 3.32Å; P1118-Q1122 WeakPolarHBondContact O-CG 3.3Å; P1118-Q1122 PolarHBondContact O-N 2.84Å; F1119-Q1122 WeakPolarHBondContact O-CG 3.42Å; R1120-Q1122 VanDerWaalsContact C-N 3.3Å; R1120-Q1122 PolarHBondContact O-N 3.44Å; Q1122-S1126 VanDerWaalsContact O-CB 3.32Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.13Å; Q1122-S1126 PolarHBondContact O-N 2.95Å; Q1122-S1126 PolarHBondContact O-OG 3.06Å |
| 1123 | Q | 87.1 | Confident | 84.7 | Confident | 32 Ų | 32 | 25.3 Ų | 25.3 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.5 | -37.2 | 178.4 | -68.7 | 177.7 | 32.2 | 0 | 0 | 112.3 | V996 T1107 F1119 R1120 L1121 V1130 K1544 | V996-Q1123 HydrophobicContact CG1-CG 3.8Å; T1107-Q1123 PolarHBondContact OG1-NE2 2.79Å; T1107-Q1123 VanDerWaalsContact OG1-NE2 3.1Å; T1107-Q1123 PolarHBondContact OG1-OE1 3.03Å; F1119-Q1123 WeakPolarHBondContact O-CG 3.2Å; F1119-Q1123 PolarHBondContact O-NE2 3.44Å; R1120-Q1123 WeakPolarHBondContact O-CB 3.41Å; R1120-Q1123 PolarHBondContact O-N 2.97Å; L1121-Q1123 VanDerWaalsContact C-N 3.3Å; L1121-Q1123 PolarHBondContact O-N 3.43Å; Q1123-V1130 HydrophobicContact CG-CG1 4.45Å; Q1123-V1130 HydrophobicContact CG-CG2 4.42Å; Q1123-K1544 WeakPolarHBondContact O-CE 3.48Å; Q1123-K1544 PolarHBondContact O-NZ 3.45Å |
| 1124 | T | 81.2 | Confident | 85.3 | Confident | 48 Ų | 48 | 25.7 Ų | 25.7 | 29% | 0.294 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -97.5 | -26.5 | -170.7 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | R1120 L1121 K1480 | R1120-T1124 HydrophobicContact CG-CG2 4.11Å; R1120-T1124 PolarHBondContact O-N 3.34Å; R1120-T1124 PolarHBondContact O-OG1 3.37Å; R1120-T1124 VanDerWaalsContact O-OG1 3.08Å; L1121-T1124 PolarHBondContact O-N 3.19Å; T1124-K1480 PolarHBondContact O-NZ 3.32Å |
| 1125 | R | 80.7 | Confident | 86 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -119.2 | -23.8 | -173.2 | -61.1 | -67.6 | -176 | 145.7 | 2.8 | 114.4 | L951 L1121 D1475 E1478 N1542 | L951-R1125 HydrophobicContact CD1-CB 4.31Å; L951-R1125 HydrophobicContact CD2-CB 4.07Å; L1121-R1125 HydrophobicContact CD1-CB 4.14Å; L1121-R1125 HydrophobicContact CD1-CG 3.84Å; L1121-R1125 WeakPolarHBondContact O-CA 3.46Å; L1121-R1125 WeakPolarHBondContact O-CB 3.4Å; L1121-R1125 PolarHBondContact O-N 3.31Å; R1125-D1475 IonicContact CZ-OD1 3.27Å; R1125-D1475 IonicContact NE-OD1 2.73Å; R1125-D1475 IonicContact NH2-OD1 2.63Å; R1125-D1475 PolarHBondContact NH2-OD1 3.24Å; R1125-E1478 VanDerWaalsContact CZ-O 3.3Å; R1125-E1478 PolarHBondContact NH1-O 3.17Å; R1125-E1478 PolarHBondContact NH2-O 2.71Å; R1125-N1542 PolarHBondContact O-ND2 3.28Å |
| 1126 | S | 83.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -89.5 | 166.4 | -177.1 | 89.9 | 0 | 0 | 0 | 0 | 113.7 | L951 Q1122 A1128 K1544 | L951-S1126 VanDerWaalsContact CD2-CB 3.49Å; Q1122-S1126 VanDerWaalsContact O-CB 3.32Å; Q1122-S1126 WeakPolarHBondContact O-CB 3.13Å; Q1122-S1126 PolarHBondContact O-N 2.95Å; Q1122-S1126 PolarHBondContact O-OG 3.06Å; S1126-A1128 VanDerWaalsContact C-N 3.26Å; S1126-A1128 VanDerWaalsContact OG-CB 3.23Å; S1126-A1128 WeakPolarHBondContact OG-CB 3.32Å; S1126-A1128 PolarHBondContact OG-N 3.29Å; S1126-K1544 WeakPolarHBondContact O-CE 3.38Å |
| 1127 | A | 80.7 | Confident | 86.6 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | trans | -78.3 | -4.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L955 K958 W1621 N1622 | L955-A1127 HydrophobicContact CD1-CB 4.43Å; K958-A1127 WeakPolarHBondContact CE-O 3.43Å; K958-A1127 HydrophobicContact CG-CB 4.48Å; K958-A1127 PolarHBondContact NZ-O 2.77Å; A1127-W1621 HydrophobicContact CB-CB 3.79Å; A1127-W1621 HydrophobicContact CB-CG 4.46Å; A1127-N1622 PolarHBondContact O-ND2 2.95Å | ||
| 1128 | A | 86.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | trans | -52.9 | 141.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I954 V996 S1126 | I954-A1128 HydrophobicContact CG2-CB 3.67Å; V996-A1128 HydrophobicContact CG2-CB 3.85Å; S1126-A1128 VanDerWaalsContact C-N 3.26Å; S1126-A1128 VanDerWaalsContact OG-CB 3.23Å; S1126-A1128 WeakPolarHBondContact OG-CB 3.32Å; S1126-A1128 PolarHBondContact OG-N 3.29Å | ||
| 1129 | D | 84.9 | Confident | 86 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | trans | -69.8 | 131.5 | 169.8 | -75 | 0.5 | 0 | 0 | 0 | 110 | K958 M986 V996 N1622 | K958-D1129 IonicContact NZ-OD1 2.85Å; K958-D1129 PolarHBondContact NZ-OD1 2.83Å; K958-D1129 IonicContact NZ-OD2 3.27Å; M986-D1129 HydrophobicContact CE-CB 3.9Å; M986-D1129 HydrophobicContact CG-CB 4.44Å; M986-D1129 HydrophobicContact SD-CB 3.87Å; V996-D1129 PolarHBondContact N-O 3.25Å; D1129-N1622 PolarHBondContact OD1-ND2 3.47Å; D1129-N1622 PolarHBondContact OD1-OD1 3Å | ||
| 1130 | V | 87.6 | Confident | 85.5 | Confident | 42 Ų | 42 | 36.6 Ų | 36.6 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.5 | -177.6 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | V996 Q998 Q1123 I1132 | V996-V1130 HydrophobicContact CB-CG2 4.19Å; V996-V1130 HydrophobicContact CG1-CG1 4.43Å; V996-V1130 CarbonylContact O-C 3.44Å; V996-V1130 VanDerWaalsContact O-CA 3.28Å; V996-V1130 WeakPolarHBondContact O-CA 3.38Å; Q998-V1130 HydrophobicContact CB-CG1 4.29Å; Q1123-V1130 HydrophobicContact CG-CG1 4.45Å; Q1123-V1130 HydrophobicContact CG-CG2 4.42Å; V1130-I1132 HydrophobicContact CG1-CG1 4.26Å |
| 1131 | A | 87.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A983 M986 V996 V997 Q998 | A983-A1131 HydrophobicContact CB-CB 3.82Å; M986-A1131 HydrophobicContact CE-CB 3.74Å; M986-A1131 HydrophobicContact SD-CB 3.8Å; V996-A1131 PolarHBondContact O-N 2.92Å; V997-A1131 WeakPolarHBondContact CA-O 3.37Å; V997-A1131 HydrophobicContact CG2-CB 4.46Å; Q998-A1131 PolarHBondContact N-O 3.18Å |
| 1132 | I | 87.9 | Confident | 84.7 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 48% | 0.482 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.8 | 177.8 | -55.4 | 176.6 | 0 | 0 | 0 | 109.9 | Q998 V1130 K1134 | Q998-I1132 HydrophobicContact CB-CG1 4.43Å; Q998-I1132 CarbonylContact O-C 3.53Å; Q998-I1132 WeakPolarHBondContact O-CA 3.4Å; V1130-I1132 HydrophobicContact CG1-CG1 4.26Å; I1132-K1134 HydrophobicContact CG2-CB 4.28Å |
| 1133 | M | 89.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 94.6 | 170.2 | -70 | 171.3 | 48.2 | 0 | 0 | 108.5 | Q980 A983 V997 Q998 Y1000 V1003 K1005 Q1008 | Q980-M1133 HydrophobicContact CG-CE 3.56Å; Q980-M1133 HydrophobicContact CG-SD 4.3Å; A983-M1133 HydrophobicContact CB-CG 4.28Å; A983-M1133 HydrophobicContact CB-SD 3.8Å; V997-M1133 HydrophobicContact CG1-CG 4.41Å; V997-M1133 HydrophobicContact CG1-SD 3.71Å; Q998-M1133 PolarHBondContact O-N 3.43Å; Y1000-M1133 PolarHBondContact N-O 2.86Å; V1003-M1133 HydrophobicContact CB-CB 4.25Å; V1003-M1133 HydrophobicContact CB-CE 4.44Å; V1003-M1133 WeakPolarHBondContact CG1-O 3.5Å; V1003-M1133 HydrophobicContact CG2-CB 3.8Å; V1003-M1133 HydrophobicContact CG2-CE 3.66Å; K1005-M1133 HydrophobicContact CG-CE 4.31Å; Q1008-M1133 HydrophobicContact CB-CE 4.11Å; Q1008-M1133 HydrophobicContact CB-SD 4.45Å; Q1008-M1133 HydrophobicContact CG-CE 4.41Å; Q1008-M1133 HydrophobicContact CG-SD 4.1Å |
| 1134 | K | 86 | Confident | 84.5 | Confident | 135 Ų | 135 | 45.4 Ų | 45.4 | 59% | 0.587 | 23% | 0.229 | S | C | * | . | trans | -99.4 | -18.3 | -178 | 64 | -177.5 | 178 | -176.2 | 0 | 115 | Y1000 I1132 I1136 Y1148 | Y1000-K1134 HydrophobicContact CD2-CB 3.99Å; Y1000-K1134 HydrophobicContact CE2-CB 3.73Å; I1132-K1134 HydrophobicContact CG2-CB 4.28Å; K1134-I1136 PolarHBondContact O-N 3.3Å; K1134-Y1148 WeakPolarHBondContact O-CE1 3.41Å; K1134-Y1148 PolarHBondContact O-OH 2.63Å | ||
| 1135 | E | 87.4 | Confident | 84.8 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | trans | -81.5 | 104.9 | -173.1 | -170 | 176.9 | 168.1 | 0 | 0 | 111.2 | T977 V1003 | T977-E1135 WeakPolarHBondContact CB-OE2 3.31Å; T977-E1135 HydrophobicContact CG2-CB 4.46Å; T977-E1135 HydrophobicContact CG2-CG 4.29Å; V1003-E1135 WeakPolarHBondContact CA-O 3.36Å; V1003-E1135 WeakPolarHBondContact CB-O 3.46Å | ||
| 1136 | I | 85 | Confident | 85.2 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | trans | -75.6 | 125.1 | 178.6 | -60.6 | 176.7 | 0 | 0 | 0 | 110.2 | V1003 K1134 R1144 V1147 Y1148 I1151 | V1003-I1136 HydrophobicContact CG1-CG1 4.1Å; K1134-I1136 PolarHBondContact O-N 3.3Å; I1136-R1144 HydrophobicContact CB-CG 4.22Å; I1136-R1144 HydrophobicContact CG2-CG 4.34Å; I1136-R1144 WeakPolarHBondContact O-CD 3.23Å; I1136-V1147 HydrophobicContact CD1-CB 4.26Å; I1136-V1147 HydrophobicContact CD1-CG1 3.76Å; I1136-Y1148 HydrophobicContact CB-CE2 4.49Å; I1136-Y1148 HydrophobicContact CD1-CD1 3.94Å; I1136-Y1148 HydrophobicContact CD1-CD2 4.48Å; I1136-Y1148 HydrophobicContact CD1-CE1 3.69Å; I1136-Y1148 HydrophobicContact CD1-CE2 4.27Å; I1136-Y1148 HydrophobicContact CD1-CG 4.31Å; I1136-Y1148 HydrophobicContact CG1-CE1 3.92Å; I1136-Y1148 PolarHBondContact N-OH 3.07Å; I1136-Y1148 VanDerWaalsContact N-OH 3.07Å; I1136-I1151 HydrophobicContact CD1-CD1 3.94Å | ||
| 1137 | V | 85.2 | Confident | 85.3 | Confident | 89 Ų | 89 | 46.7 Ų | 46.7 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | trans | -115.9 | -15.9 | -176.2 | -163.2 | 0 | 0 | 0 | 0 | 112.6 | T977 G1002 | T977-V1137 HydrophobicContact CG2-CG2 3.82Å; G1002-V1137 PolarHBondContact O-N 3.26Å | ||
| 1138 | R | 82.5 | Confident | 85.7 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -74 | -44.2 | -171 | 176.5 | -170.1 | -54.3 | -175.7 | -1.4 | 113.9 | G1002 A1415 S1416 K1447 | G1002-R1138 VanDerWaalsContact CA-NE 3.32Å; G1002-R1138 PolarHBondContact O-N 2.85Å; R1138-A1415 PolarHBondContact NH1-O 3.35Å; R1138-S1416 PolarHBondContact NE-OG 3.2Å; R1138-S1416 PolarHBondContact NH1-OG 2.94Å; R1138-S1416 PolarHBondContact NH2-OG 2.95Å; R1138-K1447 HydrophobicContact CG-CG 3.81Å |
| 1139 | Q | 82.1 | Confident | 85.9 | Confident | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83.5 | 156.2 | -172.1 | -69.6 | 83.8 | -13.1 | 0 | 0 | 112.1 | L1143 R1144 V1147 S1444 K1447 | Q1139-L1143 HydrophobicContact CB-CB 4.04Å; Q1139-L1143 HydrophobicContact CG-CB 4.33Å; Q1139-R1144 HydrophobicContact CB-CB 4.45Å; Q1139-V1147 HydrophobicContact CG-CG2 4.36Å; Q1139-S1444 PolarHBondContact NE2-O 2.84Å; Q1139-K1447 WeakPolarHBondContact CA-O 3.43Å |
| 1140 | T | 81.5 | Confident | 86 | Confident | 38 Ų | 38 | 48 Ų | 48 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | trans | -58 | 154.4 | 164.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | E1142 L1143 R1144 K1447 Q1448 | T1140-E1142 PolarHBondContact O-N 2.98Å; T1140-E1142 VanDerWaalsContact O-N 3.13Å; T1140-L1143 PolarHBondContact O-N 2.8Å; T1140-R1144 WeakPolarHBondContact O-CB 3.27Å; T1140-R1144 PolarHBondContact O-N 2.77Å; T1140-K1447 PolarHBondContact N-O 3.31Å; T1140-K1447 VanDerWaalsContact N-O 3.09Å; T1140-Q1448 HydrophobicContact CG2-CG 4.27Å | ||
| 1141 | P | 80.1 | Confident | 85.8 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.3 | -35.8 | -176.6 | -27.9 | 36 | 0 | 0 | 0 | 114.5 | ||
| 1142 | E | 80.6 | Confident | 85.6 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.8 | -46.1 | -179 | -58.7 | 75.7 | -165 | 0 | 0 | 111.7 | T1140 R1144 V1165 | T1140-E1142 PolarHBondContact O-N 2.98Å; T1140-E1142 VanDerWaalsContact O-N 3.13Å; E1142-R1144 VanDerWaalsContact C-N 3.32Å; E1142-R1144 PolarHBondContact O-N 2.8Å; E1142-V1165 HydrophobicContact CB-CG2 4.09Å |
| 1143 | L | 86.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.4 | -28 | 178.2 | -72 | -177.3 | 0 | 0 | 0 | 112.7 | Q1139 T1140 E1145 A1146 V1147 L1162 V1165 M1446 Q1448 | Q1139-L1143 HydrophobicContact CB-CB 4.04Å; Q1139-L1143 HydrophobicContact CG-CB 4.33Å; T1140-L1143 PolarHBondContact O-N 2.8Å; L1143-E1145 VanDerWaalsContact C-N 3.29Å; L1143-E1145 PolarHBondContact O-N 3.01Å; L1143-A1146 WeakPolarHBondContact O-CB 3.38Å; L1143-A1146 PolarHBondContact O-N 2.98Å; L1143-A1146 VanDerWaalsContact O-N 3.12Å; L1143-V1147 WeakPolarHBondContact O-CG2 3.3Å; L1143-V1147 PolarHBondContact O-N 2.95Å; L1143-L1162 HydrophobicContact CD2-CD2 3.7Å; L1143-V1165 HydrophobicContact CD2-CB 4.26Å; L1143-V1165 HydrophobicContact CD2-CG2 3.66Å; L1143-V1165 HydrophobicContact CG-CG2 3.99Å; L1143-M1446 HydrophobicContact CD1-CG 3.93Å; L1143-Q1448 WeakPolarHBondContact CD1-O 3.32Å |
| 1144 | R | 87.7 | Confident | 85.2 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 30% | 0.302 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 179.1 | -178.3 | 172.4 | 57.3 | 75.4 | 14.8 | 112 | I1136 Q1139 T1140 E1142 V1147 Y1148 | I1136-R1144 HydrophobicContact CB-CG 4.22Å; I1136-R1144 HydrophobicContact CG2-CG 4.34Å; I1136-R1144 WeakPolarHBondContact O-CD 3.23Å; Q1139-R1144 HydrophobicContact CB-CB 4.45Å; T1140-R1144 WeakPolarHBondContact O-CB 3.27Å; T1140-R1144 PolarHBondContact O-N 2.77Å; E1142-R1144 VanDerWaalsContact C-N 3.32Å; E1142-R1144 PolarHBondContact O-N 2.8Å; R1144-V1147 PolarHBondContact O-N 3.05Å; R1144-Y1148 HydrophobicContact CG-CD2 3.87Å; R1144-Y1148 HydrophobicContact CG-CE2 3.51Å; R1144-Y1148 WeakPolarHBondContact O-CD2 3.32Å; R1144-Y1148 PolarHBondContact O-N 3Å |
| 1145 | E | 87.4 | Confident | 85.2 | Confident | 92 Ų | 92 | 49.1 Ų | 49.1 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -34.2 | 176.8 | -67.6 | -61 | 133.4 | 0 | 0 | 112.6 | L1143 Y1148 S1149 | L1143-E1145 VanDerWaalsContact C-N 3.29Å; L1143-E1145 PolarHBondContact O-N 3.01Å; E1145-Y1148 PolarHBondContact O-N 3.48Å; E1145-S1149 WeakPolarHBondContact O-CB 3.36Å; E1145-S1149 PolarHBondContact O-N 2.9Å; E1145-S1149 PolarHBondContact O-OG 2.82Å |
| 1146 | A | 88.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1143 S1149 L1150 A1158 L1162 | L1143-A1146 WeakPolarHBondContact O-CB 3.38Å; L1143-A1146 PolarHBondContact O-N 2.98Å; L1143-A1146 VanDerWaalsContact O-N 3.12Å; A1146-S1149 WeakPolarHBondContact O-CB 3.37Å; A1146-S1149 PolarHBondContact O-N 3.34Å; A1146-L1150 PolarHBondContact O-N 3.39Å; A1146-A1158 WeakPolarHBondContact O-CB 3.22Å; A1146-L1162 HydrophobicContact CB-CD2 3.78Å; A1146-L1162 HydrophobicContact CB-CG 4.15Å |
| 1147 | V | 87.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | I1136 Q1139 L1143 R1144 S1149 L1150 I1151 Y1440 | I1136-V1147 HydrophobicContact CD1-CB 4.26Å; I1136-V1147 HydrophobicContact CD1-CG1 3.76Å; Q1139-V1147 HydrophobicContact CG-CG2 4.36Å; L1143-V1147 WeakPolarHBondContact O-CG2 3.3Å; L1143-V1147 PolarHBondContact O-N 2.95Å; R1144-V1147 PolarHBondContact O-N 3.05Å; V1147-S1149 VanDerWaalsContact C-N 3.34Å; V1147-S1149 PolarHBondContact O-N 2.98Å; V1147-L1150 WeakPolarHBondContact O-CB 3.34Å; V1147-L1150 PolarHBondContact O-N 2.84Å; V1147-I1151 HydrophobicContact CG1-CD1 4.28Å; V1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; V1147-I1151 PolarHBondContact O-N 3.09Å; V1147-Y1440 HydrophobicContact CG1-CE2 4.18Å |
| 1148 | Y | 88.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 172.5 | -79.5 | -55.8 | 0 | 0 | 0 | 112.7 | K1134 I1136 R1144 E1145 L1150 I1151 N1152 | K1134-Y1148 WeakPolarHBondContact O-CE1 3.41Å; K1134-Y1148 PolarHBondContact O-OH 2.63Å; I1136-Y1148 HydrophobicContact CB-CE2 4.49Å; I1136-Y1148 HydrophobicContact CD1-CD1 3.94Å; I1136-Y1148 HydrophobicContact CD1-CD2 4.48Å; I1136-Y1148 HydrophobicContact CD1-CE1 3.69Å; I1136-Y1148 HydrophobicContact CD1-CE2 4.27Å; I1136-Y1148 HydrophobicContact CD1-CG 4.31Å; I1136-Y1148 HydrophobicContact CG1-CE1 3.92Å; I1136-Y1148 PolarHBondContact N-OH 3.07Å; I1136-Y1148 VanDerWaalsContact N-OH 3.07Å; R1144-Y1148 HydrophobicContact CG-CD2 3.87Å; R1144-Y1148 HydrophobicContact CG-CE2 3.51Å; R1144-Y1148 WeakPolarHBondContact O-CD2 3.32Å; R1144-Y1148 PolarHBondContact O-N 3Å; E1145-Y1148 PolarHBondContact O-N 3.48Å; Y1148-L1150 VanDerWaalsContact C-N 3.26Å; Y1148-L1150 PolarHBondContact O-N 3.49Å; Y1148-I1151 HydrophobicContact CD1-CD1 4.28Å; Y1148-I1151 PolarHBondContact O-N 3.43Å; Y1148-N1152 WeakPolarHBondContact O-CB 3.4Å; Y1148-N1152 VanDerWaalsContact O-CG 3.27Å; Y1148-N1152 PolarHBondContact O-N 3.23Å; Y1148-N1152 PolarHBondContact O-ND2 3.38Å |
| 1149 | S | 89.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.6 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | E1145 A1146 V1147 N1152 R1153 D1154 | E1145-S1149 WeakPolarHBondContact O-CB 3.36Å; E1145-S1149 PolarHBondContact O-N 2.9Å; E1145-S1149 PolarHBondContact O-OG 2.82Å; A1146-S1149 WeakPolarHBondContact O-CB 3.37Å; A1146-S1149 PolarHBondContact O-N 3.34Å; V1147-S1149 VanDerWaalsContact C-N 3.34Å; V1147-S1149 PolarHBondContact O-N 2.98Å; S1149-N1152 CarbonylContact O-C 3.56Å; S1149-N1152 PolarHBondContact O-N 3.47Å; S1149-R1153 PolarHBondContact O-N 3.31Å; S1149-D1154 PolarHBondContact O-N 3.13Å |
| 1150 | L | 86.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 174.7 | -166 | 57.2 | 0 | 0 | 0 | 111.5 | A1146 V1147 Y1148 N1152 R1153 V1155 A1158 F1436 Y1440 L1443 | A1146-L1150 PolarHBondContact O-N 3.39Å; V1147-L1150 WeakPolarHBondContact O-CB 3.34Å; V1147-L1150 PolarHBondContact O-N 2.84Å; Y1148-L1150 VanDerWaalsContact C-N 3.26Å; Y1148-L1150 PolarHBondContact O-N 3.49Å; L1150-N1152 PolarHBondContact O-N 3.31Å; L1150-R1153 WeakPolarHBondContact O-CA 3.35Å; L1150-R1153 PolarHBondContact O-N 2.81Å; L1150-V1155 HydrophobicContact CD1-CG2 4.41Å; L1150-A1158 HydrophobicContact CB-CB 3.99Å; L1150-A1158 HydrophobicContact CD1-CB 4.35Å; L1150-F1436 HydrophobicContact CD1-CD2 4.47Å; L1150-F1436 HydrophobicContact CD1-CE2 3.89Å; L1150-F1436 HydrophobicContact CG-CE2 4.1Å; L1150-F1436 HydrophobicContact CG-CZ 4.39Å; L1150-F1436 WeakPolarHBondContact O-CE2 3.26Å; L1150-F1436 WeakPolarHBondContact O-CZ 3.4Å; L1150-Y1440 HydrophobicContact CD2-CD2 3.86Å; L1150-Y1440 HydrophobicContact CG-CD2 4Å; L1150-L1443 HydrophobicContact CD2-CB 3.93Å; L1150-L1443 HydrophobicContact CD2-CD1 3.92Å |
| 1151 | I | 84.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.4 | -41.2 | 175.4 | -65.9 | 164.9 | 0 | 0 | 0 | 111.1 | Y1000 I1136 V1147 Y1148 R1153 Y1440 | Y1000-I1151 HydrophobicContact CD1-CD1 4.35Å; Y1000-I1151 HydrophobicContact CD1-CG2 4.48Å; Y1000-I1151 HydrophobicContact CD2-CD1 3.85Å; Y1000-I1151 HydrophobicContact CE1-CG2 4.01Å; Y1000-I1151 HydrophobicContact CE2-CD1 4.38Å; Y1000-I1151 HydrophobicContact CE2-CG2 4.14Å; Y1000-I1151 HydrophobicContact CG-CD1 3.85Å; I1136-I1151 HydrophobicContact CD1-CD1 3.94Å; V1147-I1151 HydrophobicContact CG1-CD1 4.28Å; V1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; V1147-I1151 PolarHBondContact O-N 3.09Å; Y1148-I1151 HydrophobicContact CD1-CD1 4.28Å; Y1148-I1151 PolarHBondContact O-N 3.43Å; I1151-R1153 PolarHBondContact O-N 2.96Å; I1151-Y1440 HydrophobicContact CD1-CE2 4.17Å; I1151-Y1440 HydrophobicContact CG1-CD2 4.42Å; I1151-Y1440 HydrophobicContact CG1-CE2 3.49Å; I1151-Y1440 VanDerWaalsContact CG1-CE2 3.49Å |
| 1152 | N | 83.7 | Confident | 86.9 | Confident | 122 Ų | 122 | 49.2 Ų | 49.2 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 5.5 | 178.4 | -67.2 | -36.2 | 0 | 0 | 0 | 114.3 | Y1148 S1149 L1150 D1154 | Y1148-N1152 WeakPolarHBondContact O-CB 3.4Å; Y1148-N1152 VanDerWaalsContact O-CG 3.27Å; Y1148-N1152 PolarHBondContact O-N 3.23Å; Y1148-N1152 PolarHBondContact O-ND2 3.38Å; S1149-N1152 CarbonylContact O-C 3.56Å; S1149-N1152 PolarHBondContact O-N 3.47Å; L1150-N1152 PolarHBondContact O-N 3.31Å; N1152-D1154 VanDerWaalsContact C-N 3.29Å; N1152-D1154 PolarHBondContact O-N 2.96Å |
| 1153 | R | 81.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 24.1 | -179.7 | -47.4 | -64.5 | 178.1 | 147.6 | -12.1 | 114.5 | D1108 S1149 L1150 I1151 F1436 | D1108-R1153 IonicContact OD1-CZ 3.99Å; D1108-R1153 IonicContact OD1-NH2 3.01Å; D1108-R1153 PolarHBondContact OD1-NH2 2.9Å; S1149-R1153 PolarHBondContact O-N 3.31Å; L1150-R1153 WeakPolarHBondContact O-CA 3.35Å; L1150-R1153 PolarHBondContact O-N 2.81Å; I1151-R1153 PolarHBondContact O-N 2.96Å; R1153-F1436 VanDerWaalsContact CD-CE2 3.45Å |
| 1154 | D | 87.1 | Confident | 87.5 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | trans | -100.7 | 77.4 | 173.5 | -169.2 | -9.4 | 0 | 0 | 0 | 110.1 | S1149 N1152 R1157 A1158 | S1149-D1154 PolarHBondContact O-N 3.13Å; N1152-D1154 VanDerWaalsContact C-N 3.29Å; N1152-D1154 PolarHBondContact O-N 2.96Å; D1154-R1157 HydrophobicContact CB-CB 4.23Å; D1154-R1157 PolarHBondContact O-N 3.24Å; D1154-R1157 VanDerWaalsContact OD1-CB 3.27Å; D1154-R1157 WeakPolarHBondContact OD1-CB 3.46Å; D1154-R1157 PolarHBondContact OD1-N 3.49Å; D1154-R1157 WeakPolarHBondContact OD2-CB 3.39Å; D1154-R1157 WeakPolarHBondContact OD2-CD 3.39Å; D1154-A1158 WeakPolarHBondContact O-CB 3.4Å; D1154-A1158 PolarHBondContact O-N 3.18Å | ||
| 1155 | V | 86.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | -171.3 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | L1150 R1157 A1158 L1159 T1461 I1464 N1465 | L1150-V1155 HydrophobicContact CD1-CG2 4.41Å; V1155-R1157 PolarHBondContact O-N 2.8Å; V1155-A1158 WeakPolarHBondContact O-CB 3.07Å; V1155-A1158 PolarHBondContact O-N 2.7Å; V1155-L1159 HydrophobicContact CG1-CD1 4.39Å; V1155-L1159 HydrophobicContact CG1-CG 4.43Å; V1155-L1159 WeakPolarHBondContact O-CG 3.42Å; V1155-L1159 PolarHBondContact O-N 2.77Å; V1155-T1461 HydrophobicContact CG1-CG2 4.14Å; V1155-I1464 HydrophobicContact CG1-CD1 4.17Å; V1155-I1464 HydrophobicContact CG2-CB 4.46Å; V1155-I1464 HydrophobicContact CG2-CG2 3.58Å; V1155-N1465 WeakPolarHBondContact CG2-OD1 3.47Å |
| 1156 | E | 86.8 | Confident | 87.6 | Confident | 136 Ų | 136 | 49.1 Ų | 49.1 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.3 | -47.5 | 179.2 | -70.5 | -175.6 | 179.2 | 0 | 0 | 110.8 | A1158 L1159 S1160 | E1156-A1158 VanDerWaalsContact C-N 3.3Å; E1156-A1158 PolarHBondContact O-N 3.12Å; E1156-L1159 PolarHBondContact O-N 3.36Å; E1156-S1160 PolarHBondContact O-N 3.35Å; E1156-S1160 PolarHBondContact O-OG 2.86Å |
| 1157 | R | 89.1 | Confident | 87.6 | Confident | 149 Ų | 149 | 49.3 Ų | 49.3 | 56% | 0.562 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.1 | -37.5 | 176.1 | -173.6 | 177.5 | 178.3 | 174.5 | -2.7 | 112.2 | D1154 V1155 G1161 | D1154-R1157 HydrophobicContact CB-CB 4.23Å; D1154-R1157 PolarHBondContact O-N 3.24Å; D1154-R1157 VanDerWaalsContact OD1-CB 3.27Å; D1154-R1157 WeakPolarHBondContact OD1-CB 3.46Å; D1154-R1157 PolarHBondContact OD1-N 3.49Å; D1154-R1157 WeakPolarHBondContact OD2-CB 3.39Å; D1154-R1157 WeakPolarHBondContact OD2-CD 3.39Å; V1155-R1157 PolarHBondContact O-N 2.8Å; R1157-G1161 PolarHBondContact O-N 3.17Å |
| 1158 | A | 89.3 | Confident | 87.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1146 L1150 D1154 V1155 E1156 G1161 L1162 | A1146-A1158 WeakPolarHBondContact O-CB 3.22Å; L1150-A1158 HydrophobicContact CB-CB 3.99Å; L1150-A1158 HydrophobicContact CD1-CB 4.35Å; D1154-A1158 WeakPolarHBondContact O-CB 3.4Å; D1154-A1158 PolarHBondContact O-N 3.18Å; V1155-A1158 WeakPolarHBondContact O-CB 3.07Å; V1155-A1158 PolarHBondContact O-N 2.7Å; E1156-A1158 VanDerWaalsContact C-N 3.3Å; E1156-A1158 PolarHBondContact O-N 3.12Å; A1158-G1161 WeakPolarHBondContact O-CA 3.25Å; A1158-G1161 PolarHBondContact O-N 2.9Å; A1158-G1161 VanDerWaalsContact O-N 3.11Å; A1158-L1162 WeakPolarHBondContact O-CG 3.39Å; A1158-L1162 PolarHBondContact O-N 3.06Å |
| 1159 | L | 89 | Confident | 87.3 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 179.3 | -65.3 | -179.5 | 0 | 0 | 0 | 112.4 | V1155 E1156 G1161 L1162 E1163 V1183 W1460 T1461 | V1155-L1159 HydrophobicContact CG1-CD1 4.39Å; V1155-L1159 HydrophobicContact CG1-CG 4.43Å; V1155-L1159 WeakPolarHBondContact O-CG 3.42Å; V1155-L1159 PolarHBondContact O-N 2.77Å; E1156-L1159 PolarHBondContact O-N 3.36Å; L1159-G1161 PolarHBondContact O-N 2.93Å; L1159-L1162 HydrophobicContact CD2-CD1 4.3Å; L1159-L1162 PolarHBondContact O-N 3.21Å; L1159-L1162 VanDerWaalsContact O-N 3.13Å; L1159-E1163 WeakPolarHBondContact O-CG 3.44Å; L1159-E1163 PolarHBondContact O-N 3.46Å; L1159-V1183 HydrophobicContact CD2-CG2 4.35Å; L1159-W1460 HydrophobicContact CD1-CZ3 4.09Å; L1159-W1460 HydrophobicContact CD2-CH2 4.13Å; L1159-W1460 HydrophobicContact CD2-CZ3 3.75Å; L1159-T1461 HydrophobicContact CD1-CG2 3.55Å |
| 1160 | S | 89.1 | Confident | 87.4 | Confident | 70 Ų | 70 | 56.4 Ų | 56.4 | 49% | 0.49 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 173.2 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | E1156 E1163 S1164 | E1156-S1160 PolarHBondContact O-N 3.35Å; E1156-S1160 PolarHBondContact O-OG 2.86Å; S1160-E1163 PolarHBondContact O-N 3.45Å; S1160-S1164 PolarHBondContact O-N 3.02Å |
| 1161 | G | 88.1 | Confident | 87.6 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1157 A1158 L1159 S1164 | R1157-G1161 PolarHBondContact O-N 3.17Å; A1158-G1161 WeakPolarHBondContact O-CA 3.25Å; A1158-G1161 PolarHBondContact O-N 2.9Å; A1158-G1161 VanDerWaalsContact O-N 3.11Å; L1159-G1161 PolarHBondContact O-N 2.93Å; G1161-S1164 WeakPolarHBondContact O-CB 3.44Å; G1161-S1164 PolarHBondContact O-N 3.03Å; G1161-S1164 PolarHBondContact O-OG 3.38Å |
| 1162 | L | 88.4 | Confident | 88 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.3 | -63.1 | -179.8 | 0 | 0 | 0 | 112.5 | L1143 A1146 A1158 L1159 S1164 V1165 V1183 L1443 M1446 V1450 | L1143-L1162 HydrophobicContact CD2-CD2 3.7Å; A1146-L1162 HydrophobicContact CB-CD2 3.78Å; A1146-L1162 HydrophobicContact CB-CG 4.15Å; A1158-L1162 WeakPolarHBondContact O-CG 3.39Å; A1158-L1162 PolarHBondContact O-N 3.06Å; L1159-L1162 HydrophobicContact CD2-CD1 4.3Å; L1159-L1162 PolarHBondContact O-N 3.21Å; L1159-L1162 VanDerWaalsContact O-N 3.13Å; L1162-S1164 PolarHBondContact O-N 3.16Å; L1162-V1165 PolarHBondContact O-N 3.06Å; L1162-V1183 HydrophobicContact CB-CG2 4.5Å; L1162-L1443 HydrophobicContact CD1-CD1 4.23Å; L1162-L1443 HydrophobicContact CD1-CD2 4.06Å; L1162-M1446 HydrophobicContact CD2-CE 3.71Å; L1162-V1450 HydrophobicContact CB-CG1 4.46Å; L1162-V1450 HydrophobicContact CD1-CG1 3.83Å; L1162-V1450 HydrophobicContact CD2-CG1 3.73Å; L1162-V1450 HydrophobicContact CG-CG1 4.21Å |
| 1163 | E | 89.3 | Confident | 88.3 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -23.5 | 177.1 | -74.3 | 175.5 | 172.5 | 0 | 0 | 113.9 | L1159 S1160 V1165 V1183 R1457 | L1159-E1163 WeakPolarHBondContact O-CG 3.44Å; L1159-E1163 PolarHBondContact O-N 3.46Å; S1160-E1163 PolarHBondContact O-N 3.45Å; E1163-V1165 PolarHBondContact O-N 2.96Å; E1163-V1183 HydrophobicContact CG-CB 4.2Å; E1163-V1183 HydrophobicContact CG-CG2 3.99Å; E1163-R1457 IonicContact OE1-CZ 3.05Å; E1163-R1457 IonicContact OE1-NH1 3.42Å; E1163-R1457 PolarHBondContact OE1-NH1 3.14Å; E1163-R1457 IonicContact OE1-NH2 3.81Å; E1163-R1457 PolarHBondContact OE1-NH2 2.78Å; E1163-R1457 IonicContact OE2-NH2 3.12Å |
| 1164 | S | 88.1 | Confident | 88.5 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.6 | 176.8 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | S1160 G1161 L1162 | S1160-S1164 PolarHBondContact O-N 3.02Å; G1161-S1164 WeakPolarHBondContact O-CB 3.44Å; G1161-S1164 PolarHBondContact O-N 3.03Å; G1161-S1164 PolarHBondContact O-OG 3.38Å; L1162-S1164 PolarHBondContact O-N 3.16Å |
| 1165 | V | 88.8 | Confident | 88.2 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -90.9 | 114.7 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | E1142 L1143 L1162 E1163 S1182 | E1142-V1165 HydrophobicContact CB-CG2 4.09Å; L1143-V1165 HydrophobicContact CD2-CB 4.26Å; L1143-V1165 HydrophobicContact CD2-CG2 3.66Å; L1143-V1165 HydrophobicContact CG-CG2 3.99Å; L1162-V1165 PolarHBondContact O-N 3.06Å; E1163-V1165 PolarHBondContact O-N 2.96Å; V1165-S1182 PolarHBondContact O-OG 2.7Å |
| 1166 | K | 88.9 | Confident | 88.2 | Confident | 143 Ų | 143 | 65.7 Ų | 65.7 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | trans | -76.2 | 144.1 | -174.4 | -66.2 | -173.1 | 178 | -175.2 | 0 | 112.8 | S1168 Q1169 | K1166-S1168 PolarHBondContact O-N 3.46Å; K1166-Q1169 PolarHBondContact O-N 2.86Å; K1166-Q1169 VanDerWaalsContact O-N 3.16Å | ||
| 1167 | P | 88.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -59 | -20.3 | 175.1 | -25.4 | 35.2 | 0 | 0 | 0 | 114.8 | Q1169 V1170 P1179 S1182 | P1167-Q1169 PolarHBondContact O-N 2.84Å; P1167-Q1169 VanDerWaalsContact O-N 3.17Å; P1167-V1170 PolarHBondContact O-N 3.45Å; P1167-V1170 VanDerWaalsContact O-N 3.15Å; P1167-P1179 HydrophobicContact CB-CG 3.84Å; P1167-P1179 HydrophobicContact CG-CG 4.01Å; P1167-S1182 WeakPolarHBondContact CD-OG 3.48Å |
| 1168 | S | 85.3 | Confident | 88.2 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.7 | -12.5 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | K1166 | K1166-S1168 PolarHBondContact O-N 3.46Š|
| 1169 | Q | 85.4 | Confident | 88.2 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -71 | -22.1 | 173.4 | -68.3 | -170.7 | -5.5 | 0 | 0 | 112.7 | K1166 P1167 P1171 | K1166-Q1169 PolarHBondContact O-N 2.86Å; K1166-Q1169 VanDerWaalsContact O-N 3.16Å; P1167-Q1169 PolarHBondContact O-N 2.84Å; P1167-Q1169 VanDerWaalsContact O-N 3.17Å; Q1169-P1171 WeakPolarHBondContact O-CD 3.48Å |
| 1170 | V | 90.1 | Very high | 88 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -80.7 | 122.8 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 109 | P1167 R1172 R1226 A1230 F1419 H1449 | P1167-V1170 PolarHBondContact O-N 3.45Å; P1167-V1170 VanDerWaalsContact O-N 3.15Å; V1170-R1172 PolarHBondContact O-N 3.14Å; V1170-R1226 HydrophobicContact CG1-CG 3.76Å; V1170-A1230 HydrophobicContact CG1-CB 4.49Å; V1170-F1419 HydrophobicContact CG1-CD1 4.46Å; V1170-F1419 HydrophobicContact CG1-CD2 4.32Å; V1170-F1419 HydrophobicContact CG1-CE2 4.42Å; V1170-F1419 HydrophobicContact CG1-CG 4.34Å; V1170-F1419 HydrophobicContact CG2-CD1 3.86Å; V1170-F1419 HydrophobicContact CG2-CE1 4.07Å; V1170-F1419 HydrophobicContact CG2-CG 4.37Å; V1170-H1449 HydrophobicContact CG2-CB 4.13Å; V1170-H1449 WeakPolarHBondContact CG2-ND1 3.49Å |
| 1171 | P | 92.8 | Very high | 88 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 41% | 0.409 | 38% | 0.375 | S | S | . | . | trans | -60.7 | 128.1 | 176.5 | -23 | 33.9 | 0 | 0 | 0 | 111.9 | Q1169 R1226 T1227 A1230 | Q1169-P1171 WeakPolarHBondContact O-CD 3.48Å; P1171-R1226 WeakPolarHBondContact O-CA 3.5Å; P1171-T1227 HydrophobicContact CB-CG2 3.96Å; P1171-T1227 PolarHBondContact O-N 3.21Å; P1171-T1227 VanDerWaalsContact O-N 3.1Å; P1171-A1230 HydrophobicContact CB-CB 4.23Å; P1171-A1230 HydrophobicContact CG-CB 4.4Å | ||
| 1172 | R | 91.7 | Very high | 88.2 | Confident | 46 Ų | 46 | 66 Ų | 66 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -126.5 | 156.5 | -179.3 | -69 | 179.7 | -169.8 | -100.2 | -13.2 | 111.9 | V1170 A1176 W1177 P1179 D1222 G1225 | V1170-R1172 PolarHBondContact O-N 3.14Å; R1172-A1176 HydrophobicContact CB-CB 4.47Å; R1172-W1177 PolarHBondContact NH1-O 3.08Å; R1172-P1179 VanDerWaalsContact NH2-CD 3.35Å; R1172-D1222 IonicContact CZ-OD1 3.92Å; R1172-D1222 VanDerWaalsContact CZ-OD1 3.27Å; R1172-D1222 IonicContact NH1-OD1 3.38Å; R1172-D1222 PolarHBondContact NH1-OD1 2.93Å; R1172-D1222 VanDerWaalsContact NH1-OD1 3.14Å; R1172-D1222 IonicContact NH2-OD1 2.7Å; R1172-D1222 PolarHBondContact NH2-OD1 3.26Å; R1172-D1222 IonicContact NH2-OD2 2.91Å; R1172-G1225 CarbonylContact C-O 3.54Å; R1172-G1225 VanDerWaalsContact CA-O 3.28Å; R1172-G1225 WeakPolarHBondContact CA-O 3.31Å; R1172-G1225 WeakPolarHBondContact CB-O 3.47Å |
| 1173 | L | 89.7 | Confident | 88.3 | Confident | 73 Ų | 73 | 66 Ų | 66 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | trans | -66.9 | 153 | 171 | -62.3 | 174.7 | 0 | 0 | 0 | 110.5 | G1175 A1176 G1225 T1227 | L1173-G1175 PolarHBondContact O-N 2.82Å; L1173-A1176 HydrophobicContact CB-CB 4.25Å; L1173-A1176 VanDerWaalsContact O-CB 3.25Å; L1173-A1176 WeakPolarHBondContact O-CB 3.35Å; L1173-A1176 PolarHBondContact O-N 2.93Å; L1173-A1176 VanDerWaalsContact O-N 3.17Å; L1173-G1225 PolarHBondContact N-O 3.13Å; L1173-T1227 HydrophobicContact CD2-CG2 4.48Å | ||
| 1174 | E | 86.2 | Confident | 88.4 | Confident | 202 Ų | 202 | 64.6 Ų | 64.6 | 94% | 0.944 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 131.5 | 178.8 | -169.2 | 175.8 | -179.9 | 0 | 0 | 110.9 | A1176 | E1174-A1176 PolarHBondContact O-N 2.86Š|
| 1175 | G | 82.4 | Confident | 88.4 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 85% | 0.845 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1173 | L1173-G1175 PolarHBondContact O-N 2.82Š|
| 1176 | A | 85.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | trans | -70.1 | 139.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1172 L1173 E1174 G1225 | R1172-A1176 HydrophobicContact CB-CB 4.47Å; L1173-A1176 HydrophobicContact CB-CB 4.25Å; L1173-A1176 VanDerWaalsContact O-CB 3.25Å; L1173-A1176 WeakPolarHBondContact O-CB 3.35Å; L1173-A1176 PolarHBondContact O-N 2.93Å; L1173-A1176 VanDerWaalsContact O-N 3.17Å; E1174-A1176 PolarHBondContact O-N 2.86Å; A1176-G1225 WeakPolarHBondContact CB-O 3.49Å | ||
| 1177 | W | 88.5 | Confident | 88 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -58.8 | 141.6 | 174.3 | 178.3 | 84.7 | 0 | 0 | 0 | 111.2 | R1172 P1179 P1212 A1218 R1221 D1222 Y1453 | R1172-W1177 PolarHBondContact NH1-O 3.08Å; W1177-P1179 HydrophobicContact CH2-CB 3.81Å; W1177-P1179 HydrophobicContact CZ2-CB 4.27Å; W1177-P1179 HydrophobicContact CZ3-CB 4.36Å; W1177-P1212 HydrophobicContact CD2-CG 4Å; W1177-P1212 VanDerWaalsContact CE2-CD 3.43Å; W1177-P1212 HydrophobicContact CE3-CG 4.25Å; W1177-P1212 HydrophobicContact CH2-CG 3.86Å; W1177-P1212 HydrophobicContact CZ2-CG 3.58Å; W1177-P1212 HydrophobicContact CZ3-CG 4.18Å; W1177-A1218 HydrophobicContact CH2-CB 4.24Å; W1177-R1221 HydrophobicContact CB-CG 3.97Å; W1177-R1221 HydrophobicContact CE3-CB 4.25Å; W1177-R1221 HydrophobicContact CE3-CG 4.37Å; W1177-D1222 HydrophobicContact CZ3-CB 4.18Å; W1177-Y1453 HydrophobicContact CH2-CE1 4.2Å; W1177-Y1453 WeakPolarHBondContact CZ3-OH 3.41Å | ||
| 1178 | A | 87.1 | Confident | 87.4 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | trans | -132.5 | 138.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1179 | P | 89.3 | Confident | 87.1 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -67.5 | 148.8 | 175.9 | 27.8 | -31.9 | 0 | 0 | 0 | 110.8 | P1167 R1172 W1177 Q1451 | P1167-P1179 HydrophobicContact CB-CG 3.84Å; P1167-P1179 HydrophobicContact CG-CG 4.01Å; R1172-P1179 VanDerWaalsContact NH2-CD 3.35Å; W1177-P1179 HydrophobicContact CH2-CB 3.81Å; W1177-P1179 HydrophobicContact CZ2-CB 4.27Å; W1177-P1179 HydrophobicContact CZ3-CB 4.36Å; P1179-Q1451 HydrophobicContact CG-CG 4.38Å | ||
| 1180 | E | 85.7 | Confident | 86.8 | Confident | 173 Ų | 173 | 61.1 Ų | 61.1 | 81% | 0.808 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -70.2 | -37 | 179.8 | -64.3 | -173.2 | 163.9 | 0 | 0 | 112.2 | ||
| 1181 | H | 89.3 | Confident | 86.4 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -132.4 | 151.9 | -176.6 | -62.3 | -68.8 | 0 | 0 | 0 | 111 | V1183 T1184 Q1451 | H1181-V1183 PolarHBondContact O-N 2.99Å; H1181-T1184 PolarHBondContact O-OG1 2.95Å; H1181-Q1451 PolarHBondContact O-NE2 3.31Å |
| 1182 | S | 90.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -68.8 | -15.6 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 113.9 | V1165 P1167 H1449 Q1451 V1452 | V1165-S1182 PolarHBondContact O-OG 2.7Å; P1167-S1182 WeakPolarHBondContact CD-OG 3.48Å; S1182-H1449 PolarHBondContact OG-NE2 3.15Å; S1182-Q1451 CarbonylContact O-C 3.49Å; S1182-Q1451 WeakPolarHBondContact O-CA 3.37Å; S1182-Q1451 PolarHBondContact O-NE2 3.34Å; S1182-V1452 PolarHBondContact O-N 3Å |
| 1183 | V | 91.2 | Very high | 85.4 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.5 | 168 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | L1159 L1162 E1163 H1181 V1452 | L1159-V1183 HydrophobicContact CD2-CG2 4.35Å; L1162-V1183 HydrophobicContact CB-CG2 4.5Å; E1163-V1183 HydrophobicContact CG-CB 4.2Å; E1163-V1183 HydrophobicContact CG-CG2 3.99Å; H1181-V1183 PolarHBondContact O-N 2.99Å; V1183-V1452 WeakPolarHBondContact CA-O 3.3Å; V1183-V1452 HydrophobicContact CG1-CB 4.33Å; V1183-V1452 HydrophobicContact CG2-CB 4.28Å; V1183-V1452 HydrophobicContact CG2-CG2 4.4Å |
| 1184 | T | 91.1 | Very high | 85.1 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.2 | -176.9 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | H1181 F1186 Q1451 V1452 Y1453 T1454 | H1181-T1184 PolarHBondContact O-OG1 2.95Å; T1184-F1186 HydrophobicContact CG2-CD2 3.98Å; T1184-F1186 HydrophobicContact CG2-CE2 3.58Å; T1184-Q1451 PolarHBondContact OG1-NE2 2.94Å; T1184-Q1451 VanDerWaalsContact OG1-NE2 3.13Å; T1184-V1452 PolarHBondContact N-O 3.47Å; T1184-Y1453 HydrophobicContact CG2-CD1 4.42Å; T1184-Y1453 HydrophobicContact CG2-CE1 4.33Å; T1184-Y1453 WeakPolarHBondContact O-CA 3.29Å; T1184-T1454 PolarHBondContact O-N 3.27Å |
| 1185 | E | 89.1 | Confident | 85 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.4 | 175.1 | -173.3 | 178.7 | 129.4 | 0 | 0 | 110.5 | Q1190 T1454 R1457 | E1185-Q1190 PolarHBondContact O-OE1 3.45Å; E1185-Q1190 VanDerWaalsContact O-OE1 3.13Å; E1185-T1454 CarbonylContact C-O 3.59Å; E1185-T1454 VanDerWaalsContact CA-O 3.26Å; E1185-T1454 WeakPolarHBondContact CA-O 3.41Å; E1185-T1454 HydrophobicContact CB-CG2 4.28Å; E1185-T1454 HydrophobicContact CG-CG2 4.38Å; E1185-R1457 VanDerWaalsContact OE2-CB 3.24Å; E1185-R1457 WeakPolarHBondContact OE2-CB 3.41Å; E1185-R1457 PolarHBondContact OE2-N 2.68Å; E1185-R1457 VanDerWaalsContact OE2-N 3.08Å |
| 1186 | F | 86.9 | Confident | 85.1 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | trans | -127.9 | 84.2 | 168.2 | -80.6 | -97.2 | 0 | 0 | 0 | 108.6 | T1184 L1194 P1212 L1215 A1218 Y1453 T1454 | T1184-F1186 HydrophobicContact CG2-CD2 3.98Å; T1184-F1186 HydrophobicContact CG2-CE2 3.58Å; F1186-L1194 HydrophobicContact CE1-CD1 4.42Å; F1186-P1212 HydrophobicContact CE1-CG 4.39Å; F1186-P1212 HydrophobicContact CZ-CG 3.96Å; F1186-L1215 HydrophobicContact CB-CB 3.86Å; F1186-L1215 HydrophobicContact CB-CD1 3.94Å; F1186-L1215 HydrophobicContact CB-CG 4.49Å; F1186-L1215 HydrophobicContact CD2-CD1 4.48Å; F1186-A1218 HydrophobicContact CD2-CB 4.04Å; F1186-A1218 HydrophobicContact CE1-CB 4.2Å; F1186-A1218 HydrophobicContact CE2-CB 3.43Å; F1186-A1218 VanDerWaalsContact CE2-CB 3.43Å; F1186-A1218 HydrophobicContact CZ-CB 3.54Å; F1186-Y1453 HydrophobicContact CD2-CD1 4.21Å; F1186-Y1453 HydrophobicContact CE2-CD1 4.16Å; F1186-Y1453 HydrophobicContact CE2-CE1 4.19Å; F1186-T1454 PolarHBondContact N-O 3.42Å | ||
| 1187 | S | 81.9 | Confident | 85 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 12% | 0.119 | 32% | 0.32 | C | S | . | . | trans | -78.9 | 153.7 | 173.8 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | S1189 Q1190 E1191 D1455 | S1187-S1189 PolarHBondContact O-N 2.73Å; S1187-S1189 PolarHBondContact OG-OG 2.94Å; S1187-Q1190 WeakPolarHBondContact O-CA 3.3Å; S1187-Q1190 WeakPolarHBondContact O-CB 3.38Å; S1187-Q1190 PolarHBondContact O-N 3.23Å; S1187-Q1190 WeakPolarHBondContact OG-CG 3.39Å; S1187-Q1190 PolarHBondContact OG-N 3.15Å; S1187-Q1190 PolarHBondContact OG-OE1 2.78Å; S1187-E1191 PolarHBondContact O-N 3.37Å; S1187-D1455 VanDerWaalsContact CA-O 3.23Å; S1187-D1455 WeakPolarHBondContact CA-O 3.44Å; S1187-D1455 VanDerWaalsContact CB-O 3.3Å; S1187-D1455 WeakPolarHBondContact CB-O 3.29Å | ||
| 1188 | H | 76.7 | Confident | 84.7 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -48.7 | -35.1 | 172.3 | -121.3 | 95.1 | 0 | 0 | 0 | 112.9 | A1192 E1427 | H1188-A1192 WeakPolarHBondContact O-CB 3.47Å; H1188-A1192 PolarHBondContact O-N 3.43Å; H1188-E1427 IonicContact CE1-OE1 2.88Å; H1188-E1427 IonicContact CG-OE1 3.91Å; H1188-E1427 IonicContact ND1-OE1 3.47Å; H1188-E1427 PolarHBondContact ND1-OE1 3.34Å; H1188-E1427 IonicContact ND1-OE2 2.76Å |
| 1189 | S | 77.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 177.5 | 79.9 | 0 | 0 | 0 | 0 | 113.5 | S1187 K1193 | S1187-S1189 PolarHBondContact O-N 2.73Å; S1187-S1189 PolarHBondContact OG-OG 2.94Å; S1189-K1193 WeakPolarHBondContact O-CD 3.27Å; S1189-K1193 WeakPolarHBondContact O-CG 3.39Å; S1189-K1193 PolarHBondContact O-N 3.07Å |
| 1190 | Q | 78.9 | Confident | 84.4 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -77.1 | -43.3 | 175.5 | -73.9 | 166.7 | -33.5 | 0 | 0 | 110.7 | E1185 S1187 A1192 K1193 L1194 | E1185-Q1190 PolarHBondContact O-OE1 3.45Å; E1185-Q1190 VanDerWaalsContact O-OE1 3.13Å; S1187-Q1190 WeakPolarHBondContact O-CA 3.3Å; S1187-Q1190 WeakPolarHBondContact O-CB 3.38Å; S1187-Q1190 PolarHBondContact O-N 3.23Å; S1187-Q1190 WeakPolarHBondContact OG-CG 3.39Å; S1187-Q1190 PolarHBondContact OG-N 3.15Å; S1187-Q1190 PolarHBondContact OG-OE1 2.78Å; Q1190-A1192 VanDerWaalsContact C-N 3.32Å; Q1190-A1192 PolarHBondContact O-N 2.8Å; Q1190-K1193 PolarHBondContact O-N 2.87Å; Q1190-K1193 VanDerWaalsContact O-N 3.15Å; Q1190-L1194 WeakPolarHBondContact O-CG 3.25Å; Q1190-L1194 PolarHBondContact O-N 3.29Å |
| 1191 | E | 82.1 | Confident | 84.3 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 174.6 | -63 | -172.2 | 162.8 | 0 | 0 | 110.9 | S1187 K1193 L1194 A1195 T1214 L1215 | S1187-E1191 PolarHBondContact O-N 3.37Å; E1191-K1193 VanDerWaalsContact C-N 3.35Å; E1191-K1193 PolarHBondContact O-N 3.17Å; E1191-L1194 PolarHBondContact O-N 3.12Å; E1191-A1195 WeakPolarHBondContact O-CB 3.27Å; E1191-A1195 PolarHBondContact O-N 3.05Å; E1191-T1214 WeakPolarHBondContact OE1-CA 3.33Å; E1191-L1215 PolarHBondContact OE1-N 3.43Å |
| 1192 | A | 80.7 | Confident | 84 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1188 Q1190 A1195 E1196 | H1188-A1192 WeakPolarHBondContact O-CB 3.47Å; H1188-A1192 PolarHBondContact O-N 3.43Å; Q1190-A1192 VanDerWaalsContact C-N 3.32Å; Q1190-A1192 PolarHBondContact O-N 2.8Å; A1192-A1195 PolarHBondContact O-N 2.83Å; A1192-E1196 WeakPolarHBondContact O-CB 3.32Å; A1192-E1196 PolarHBondContact O-N 3.03Å |
| 1193 | K | 83.9 | Confident | 83.7 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 176.2 | -75.5 | 169 | -173.9 | 171.4 | 0 | 112.2 | S1189 Q1190 E1191 E1196 A1197 | S1189-K1193 WeakPolarHBondContact O-CD 3.27Å; S1189-K1193 WeakPolarHBondContact O-CG 3.39Å; S1189-K1193 PolarHBondContact O-N 3.07Å; Q1190-K1193 PolarHBondContact O-N 2.87Å; Q1190-K1193 VanDerWaalsContact O-N 3.15Å; E1191-K1193 VanDerWaalsContact C-N 3.35Å; E1191-K1193 PolarHBondContact O-N 3.17Å; K1193-E1196 PolarHBondContact O-N 3.35Å; K1193-A1197 WeakPolarHBondContact O-CB 3.23Å; K1193-A1197 PolarHBondContact O-N 3.13Å |
| 1194 | L | 83 | Confident | 83.5 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 175.4 | -73 | 168.4 | 0 | 0 | 0 | 110.5 | F1186 Q1190 E1191 E1196 A1197 Q1198 F1208 M1213 | F1186-L1194 HydrophobicContact CE1-CD1 4.42Å; Q1190-L1194 WeakPolarHBondContact O-CG 3.25Å; Q1190-L1194 PolarHBondContact O-N 3.29Å; E1191-L1194 PolarHBondContact O-N 3.12Å; L1194-E1196 PolarHBondContact O-N 3.09Å; L1194-A1197 PolarHBondContact O-N 3.38Å; L1194-Q1198 PolarHBondContact O-N 2.95Å; L1194-F1208 HydrophobicContact CD2-CZ 4.44Å; L1194-M1213 VanDerWaalsContact C-CE 3.43Å; L1194-M1213 HydrophobicContact CB-CE 4.05Å; L1194-M1213 HydrophobicContact CB-SD 4.12Å; L1194-M1213 WeakPolarHBondContact O-CE 3.46Å |
| 1195 | A | 82.9 | Confident | 82.9 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E1191 A1192 A1197 Q1198 Q1199 M1213 | E1191-A1195 WeakPolarHBondContact O-CB 3.27Å; E1191-A1195 PolarHBondContact O-N 3.05Å; A1192-A1195 PolarHBondContact O-N 2.83Å; A1195-A1197 VanDerWaalsContact C-N 3.34Å; A1195-A1197 PolarHBondContact O-N 2.9Å; A1195-Q1198 PolarHBondContact O-N 3.14Å; A1195-Q1199 WeakPolarHBondContact O-CB 3.21Å; A1195-Q1199 PolarHBondContact O-N 3.2Å; A1195-M1213 HydrophobicContact CB-CE 4.3Å |
| 1196 | E | 84.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 80.9 Ų | 80.9 | 45% | 0.449 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.2 | -167.5 | -168.8 | 167.3 | 0 | 0 | 111.6 | A1192 K1193 L1194 Q1199 K1200 | A1192-E1196 WeakPolarHBondContact O-CB 3.32Å; A1192-E1196 PolarHBondContact O-N 3.03Å; K1193-E1196 PolarHBondContact O-N 3.35Å; L1194-E1196 PolarHBondContact O-N 3.09Å; E1196-Q1199 PolarHBondContact O-N 3.48Å; E1196-K1200 HydrophobicContact CG-CD 4.5Å; E1196-K1200 WeakPolarHBondContact O-CB 3.18Å; E1196-K1200 WeakPolarHBondContact O-CG 3.24Å; E1196-K1200 PolarHBondContact O-N 3.05Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.29Å; E1196-K1200 IonicContact OE1-NZ 3.11Å; E1196-K1200 PolarHBondContact OE1-NZ 2.79Å |
| 1197 | A | 83.6 | Confident | 82.2 | Confident | 43 Ų | 43 | 84.9 Ų | 84.9 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1193 L1194 A1195 K1200 A1201 F1208 | K1193-A1197 WeakPolarHBondContact O-CB 3.23Å; K1193-A1197 PolarHBondContact O-N 3.13Å; L1194-A1197 PolarHBondContact O-N 3.38Å; A1195-A1197 VanDerWaalsContact C-N 3.34Å; A1195-A1197 PolarHBondContact O-N 2.9Å; A1197-K1200 PolarHBondContact O-N 3.38Å; A1197-A1201 WeakPolarHBondContact O-CB 3.09Å; A1197-A1201 PolarHBondContact O-N 3.09Å; A1197-F1208 HydrophobicContact CB-CE2 3.97Å |
| 1198 | Q | 82.7 | Confident | 81.9 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.2 | -174.9 | -171 | 34.2 | 0 | 0 | 111.1 | L1194 A1195 K1200 A1201 M1202 F1208 M1213 | L1194-Q1198 PolarHBondContact O-N 2.95Å; A1195-Q1198 PolarHBondContact O-N 3.14Å; Q1198-K1200 VanDerWaalsContact C-N 3.32Å; Q1198-K1200 PolarHBondContact O-N 3.42Å; Q1198-A1201 PolarHBondContact O-N 3.09Å; Q1198-M1202 PolarHBondContact O-N 3.49Å; Q1198-F1208 VanDerWaalsContact CA-CD2 3.43Å; Q1198-F1208 HydrophobicContact CB-CD1 4.13Å; Q1198-F1208 HydrophobicContact CB-CD2 3.89Å; Q1198-F1208 HydrophobicContact CB-CE1 4.2Å; Q1198-F1208 HydrophobicContact CB-CE2 3.96Å; Q1198-F1208 HydrophobicContact CB-CG 3.97Å; Q1198-F1208 HydrophobicContact CB-CZ 4.11Å; Q1198-F1208 HydrophobicContact CG-CB 4.24Å; Q1198-F1208 HydrophobicContact CG-CD1 3.99Å; Q1198-F1208 HydrophobicContact CG-CD2 4.34Å; Q1198-F1208 HydrophobicContact CG-CE1 4.45Å; Q1198-F1208 HydrophobicContact CG-CG 3.93Å; Q1198-M1213 HydrophobicContact CB-CE 3.71Å; Q1198-M1213 HydrophobicContact CG-CE 4.31Å |
| 1199 | Q | 84.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.7 | -166.9 | -179.2 | 15.8 | 0 | 0 | 111.3 | A1195 E1196 M1202 Q1203 | A1195-Q1199 WeakPolarHBondContact O-CB 3.21Å; A1195-Q1199 PolarHBondContact O-N 3.2Å; E1196-Q1199 PolarHBondContact O-N 3.48Å; Q1199-M1202 PolarHBondContact O-N 2.75Å; Q1199-Q1203 WeakPolarHBondContact O-CB 3.14Å; Q1199-Q1203 VanDerWaalsContact O-CG 3.26Å; Q1199-Q1203 WeakPolarHBondContact O-CG 3.48Å; Q1199-Q1203 PolarHBondContact O-N 3.44Å |
| 1200 | K | 86.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.6 | -77.4 | 175.7 | -175.8 | 166.4 | 0 | 112.5 | E1196 A1197 Q1198 Q1203 K1204 | E1196-K1200 HydrophobicContact CG-CD 4.5Å; E1196-K1200 WeakPolarHBondContact O-CB 3.18Å; E1196-K1200 WeakPolarHBondContact O-CG 3.24Å; E1196-K1200 PolarHBondContact O-N 3.05Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.29Å; E1196-K1200 IonicContact OE1-NZ 3.11Å; E1196-K1200 PolarHBondContact OE1-NZ 2.79Å; A1197-K1200 PolarHBondContact O-N 3.38Å; Q1198-K1200 VanDerWaalsContact C-N 3.32Å; Q1198-K1200 PolarHBondContact O-N 3.42Å; K1200-Q1203 PolarHBondContact O-N 3.31Å; K1200-K1204 WeakPolarHBondContact O-CB 3.2Å; K1200-K1204 WeakPolarHBondContact O-CG 3.45Å; K1200-K1204 PolarHBondContact O-N 2.85Å |
| 1201 | A | 83.7 | Confident | 82 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1197 Q1198 Q1203 K1204 G1205 E1206 F1208 | A1197-A1201 WeakPolarHBondContact O-CB 3.09Å; A1197-A1201 PolarHBondContact O-N 3.09Å; Q1198-A1201 PolarHBondContact O-N 3.09Å; A1201-Q1203 VanDerWaalsContact C-N 3.33Å; A1201-Q1203 PolarHBondContact O-N 2.68Å; A1201-K1204 CarbonylContact O-C 3.53Å; A1201-K1204 PolarHBondContact O-N 3.23Å; A1201-K1204 VanDerWaalsContact O-N 3.12Å; A1201-G1205 PolarHBondContact O-N 3.37Å; A1201-E1206 CarbonylContact C-O 3.48Å; A1201-E1206 PolarHBondContact O-N 2.97Å; A1201-F1208 HydrophobicContact CB-CB 3.99Å; A1201-F1208 HydrophobicContact CB-CD2 4.1Å |
| 1202 | M | 82.7 | Confident | 82.2 | Confident | 146 Ų | 146 | 84.1 Ų | 84.1 | 72% | 0.719 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58 | -43.2 | 173.3 | -83.6 | -177 | 74.1 | 0 | 0 | 112.1 | Q1198 Q1199 K1204 G1205 | Q1198-M1202 PolarHBondContact O-N 3.49Å; Q1199-M1202 PolarHBondContact O-N 2.75Å; M1202-K1204 VanDerWaalsContact C-N 3.31Å; M1202-K1204 PolarHBondContact O-N 2.76Å; M1202-G1205 PolarHBondContact O-N 2.9Å |
| 1203 | Q | 84.8 | Confident | 82.4 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.6 | -32.7 | 177.1 | -75.8 | 175.2 | 7.3 | 0 | 0 | 113 | Q1199 K1200 A1201 | Q1199-Q1203 WeakPolarHBondContact O-CB 3.14Å; Q1199-Q1203 VanDerWaalsContact O-CG 3.26Å; Q1199-Q1203 WeakPolarHBondContact O-CG 3.48Å; Q1199-Q1203 PolarHBondContact O-N 3.44Å; K1200-Q1203 PolarHBondContact O-N 3.31Å; A1201-Q1203 VanDerWaalsContact C-N 3.33Å; A1201-Q1203 PolarHBondContact O-N 2.68Å |
| 1204 | K | 85.4 | Confident | 82.6 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -84.2 | -6.9 | 176.9 | -72 | 178.9 | 178.1 | -175.5 | 0 | 114 | K1200 A1201 M1202 E1206 | K1200-K1204 WeakPolarHBondContact O-CB 3.2Å; K1200-K1204 WeakPolarHBondContact O-CG 3.45Å; K1200-K1204 PolarHBondContact O-N 2.85Å; A1201-K1204 CarbonylContact O-C 3.53Å; A1201-K1204 PolarHBondContact O-N 3.23Å; A1201-K1204 VanDerWaalsContact O-N 3.12Å; M1202-K1204 VanDerWaalsContact C-N 3.31Å; M1202-K1204 PolarHBondContact O-N 2.76Å; K1204-E1206 HydrophobicContact CB-CG 4.11Å; K1204-E1206 PolarHBondContact O-N 2.66Å |
| 1205 | G | 79.9 | Confident | 82.8 | Confident | 72 Ų | 72 | 76.7 Ų | 76.7 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 17.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1201 M1202 | A1201-G1205 PolarHBondContact O-N 3.37Å; M1202-G1205 PolarHBondContact O-N 2.9Å |
| 1206 | E | 84.1 | Confident | 83.3 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 141.1 | 176.9 | -68.7 | 173.9 | 176 | 0 | 0 | 109.6 | A1201 K1204 F1208 | A1201-E1206 CarbonylContact C-O 3.48Å; A1201-E1206 PolarHBondContact O-N 2.97Å; K1204-E1206 HydrophobicContact CB-CG 4.11Å; K1204-E1206 PolarHBondContact O-N 2.66Å; E1206-F1208 PolarHBondContact O-N 3.48Å |
| 1207 | A | 75.5 | Confident | 83.6 | Confident | 102 Ų | 102 | 76 Ų | 76 | 84% | 0.843 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 117.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1208 | F | 77.3 | Confident | 84 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 135.5 | 172.5 | -173.8 | -101.1 | 0 | 0 | 0 | 109.5 | L1194 A1197 Q1198 A1201 E1206 V1211 M1213 | L1194-F1208 HydrophobicContact CD2-CZ 4.44Å; A1197-F1208 HydrophobicContact CB-CE2 3.97Å; Q1198-F1208 VanDerWaalsContact CA-CD2 3.43Å; Q1198-F1208 HydrophobicContact CB-CD1 4.13Å; Q1198-F1208 HydrophobicContact CB-CD2 3.89Å; Q1198-F1208 HydrophobicContact CB-CE1 4.2Å; Q1198-F1208 HydrophobicContact CB-CE2 3.96Å; Q1198-F1208 HydrophobicContact CB-CG 3.97Å; Q1198-F1208 HydrophobicContact CB-CZ 4.11Å; Q1198-F1208 HydrophobicContact CG-CB 4.24Å; Q1198-F1208 HydrophobicContact CG-CD1 3.99Å; Q1198-F1208 HydrophobicContact CG-CD2 4.34Å; Q1198-F1208 HydrophobicContact CG-CE1 4.45Å; Q1198-F1208 HydrophobicContact CG-CG 3.93Å; A1201-F1208 HydrophobicContact CB-CB 3.99Å; A1201-F1208 HydrophobicContact CB-CD2 4.1Å; E1206-F1208 PolarHBondContact O-N 3.48Å; F1208-V1211 HydrophobicContact CE1-CG2 3.7Å; F1208-V1211 HydrophobicContact CZ-CG2 3.98Å; F1208-M1213 HydrophobicContact CD1-SD 4.49Å; F1208-M1213 HydrophobicContact CE1-CE 4.43Å; F1208-M1213 HydrophobicContact CE1-SD 3.5Å; F1208-M1213 WeakPolarHBondContact CE1-SD 3.21Å; F1208-M1213 HydrophobicContact CZ-CE 4.49Å; F1208-M1213 HydrophobicContact CZ-SD 3.86Å |
| 1209 | P | 72.5 | Confident | 84.6 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 142.2 | 178 | 22.6 | -32.9 | 0 | 0 | 0 | 111.4 | V1211 | P1209-V1211 HydrophobicContact CB-CG1 4.36Å; P1209-V1211 HydrophobicContact CG-CG2 4.46Å; P1209-V1211 PolarHBondContact O-N 2.86Å |
| 1210 | D | 78.8 | Confident | 85.1 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | trans | -74.6 | 73.6 | 179.6 | -174.7 | 33.4 | 0 | 0 | 0 | 110.9 | R1221 | D1210-R1221 IonicContact OD1-NH2 3.49Å; D1210-R1221 PolarHBondContact OD1-NH2 2.96Å; D1210-R1221 IonicContact OD2-CZ 3.64Å; D1210-R1221 IonicContact OD2-NH2 3.87Å; D1210-R1221 PolarHBondContact OD2-NH2 3.33Å | ||
| 1211 | V | 83.3 | Confident | 85.4 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | trans | -116.3 | 147.5 | 178.4 | -66 | 0 | 0 | 0 | 0 | 110.4 | F1208 P1209 | F1208-V1211 HydrophobicContact CE1-CG2 3.7Å; F1208-V1211 HydrophobicContact CZ-CG2 3.98Å; P1209-V1211 HydrophobicContact CB-CG1 4.36Å; P1209-V1211 HydrophobicContact CG-CG2 4.46Å; P1209-V1211 PolarHBondContact O-N 2.86Å | ||
| 1212 | P | 85.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -63.7 | 138.7 | 177.6 | 26.8 | -34.3 | 0 | 0 | 0 | 111.2 | W1177 F1186 E1217 A1218 | W1177-P1212 HydrophobicContact CD2-CG 4Å; W1177-P1212 VanDerWaalsContact CE2-CD 3.43Å; W1177-P1212 HydrophobicContact CE3-CG 4.25Å; W1177-P1212 HydrophobicContact CH2-CG 3.86Å; W1177-P1212 HydrophobicContact CZ2-CG 3.58Å; W1177-P1212 HydrophobicContact CZ3-CG 4.18Å; F1186-P1212 HydrophobicContact CE1-CG 4.39Å; F1186-P1212 HydrophobicContact CZ-CG 3.96Å; P1212-E1217 HydrophobicContact CB-CB 4.25Å; P1212-E1217 HydrophobicContact CB-CG 4.02Å; P1212-A1218 HydrophobicContact CB-CB 3.91Å; P1212-A1218 HydrophobicContact CG-CB 3.91Å | ||
| 1213 | M | 85 | Confident | 86.5 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -96 | -23.7 | -175.5 | -61.1 | -66 | -73.5 | 0 | 0 | 112.9 | L1194 A1195 Q1198 F1208 E1217 | L1194-M1213 VanDerWaalsContact C-CE 3.43Å; L1194-M1213 HydrophobicContact CB-CE 4.05Å; L1194-M1213 HydrophobicContact CB-SD 4.12Å; L1194-M1213 WeakPolarHBondContact O-CE 3.46Å; A1195-M1213 HydrophobicContact CB-CE 4.3Å; Q1198-M1213 HydrophobicContact CB-CE 3.71Å; Q1198-M1213 HydrophobicContact CG-CE 4.31Å; F1208-M1213 HydrophobicContact CD1-SD 4.49Å; F1208-M1213 HydrophobicContact CE1-CE 4.43Å; F1208-M1213 HydrophobicContact CE1-SD 3.5Å; F1208-M1213 WeakPolarHBondContact CE1-SD 3.21Å; F1208-M1213 HydrophobicContact CZ-CE 4.49Å; F1208-M1213 HydrophobicContact CZ-SD 3.86Å; M1213-E1217 WeakPolarHBondContact CB-OE2 3.22Å; M1213-E1217 PolarHBondContact N-OE2 3.24Å | ||
| 1214 | T | 87.7 | Confident | 86.9 | Confident | 52 Ų | 52 | 52 Ų | 52 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -130 | 160.1 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | E1191 Y1216 E1217 A1218 | E1191-T1214 WeakPolarHBondContact OE1-CA 3.33Å; T1214-Y1216 VanDerWaalsContact C-N 3.33Å; T1214-Y1216 PolarHBondContact O-N 2.82Å; T1214-E1217 PolarHBondContact O-N 2.92Å; T1214-E1217 VanDerWaalsContact OG1-CB 3.24Å; T1214-E1217 WeakPolarHBondContact OG1-CB 3.21Å; T1214-E1217 PolarHBondContact OG1-N 2.99Å; T1214-A1218 PolarHBondContact O-N 3.26Å |
| 1215 | L | 89 | Confident | 87.2 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.1 | -45.8 | 175.7 | 177.2 | 65.2 | 0 | 0 | 0 | 112.7 | F1186 E1191 A1218 I1219 L1423 D1455 | F1186-L1215 HydrophobicContact CB-CB 3.86Å; F1186-L1215 HydrophobicContact CB-CD1 3.94Å; F1186-L1215 HydrophobicContact CB-CG 4.49Å; F1186-L1215 HydrophobicContact CD2-CD1 4.48Å; E1191-L1215 PolarHBondContact OE1-N 3.43Å; L1215-A1218 PolarHBondContact O-N 2.95Å; L1215-I1219 PolarHBondContact O-N 3.49Å; L1215-L1423 HydrophobicContact CD1-CD1 4.2Å; L1215-L1423 HydrophobicContact CD2-CD1 3.65Å; L1215-L1423 HydrophobicContact CG-CD1 3.97Å; L1215-D1455 HydrophobicContact CD2-CB 4.33Å |
| 1216 | Y | 91.7 | Very high | 87.8 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | 177.9 | -65.2 | -40.3 | 0 | 0 | 0 | 112.2 | T1214 A1218 I1219 V1220 D1243 V1246 L1247 M1250 L1423 R1430 | T1214-Y1216 VanDerWaalsContact C-N 3.33Å; T1214-Y1216 PolarHBondContact O-N 2.82Å; Y1216-A1218 VanDerWaalsContact C-N 3.27Å; Y1216-A1218 PolarHBondContact O-N 3.43Å; Y1216-I1219 PolarHBondContact O-N 2.9Å; Y1216-V1220 WeakPolarHBondContact O-CG2 3.25Å; Y1216-V1220 PolarHBondContact O-N 3.26Å; Y1216-D1243 PolarHBondContact OH-OD1 3.35Å; Y1216-V1246 HydrophobicContact CD2-CG1 3.86Å; Y1216-V1246 HydrophobicContact CE2-CG1 3.86Å; Y1216-V1246 HydrophobicContact CG-CG1 4.43Å; Y1216-L1247 HydrophobicContact CD1-CD2 3.81Å; Y1216-L1247 HydrophobicContact CD1-CG 4.12Å; Y1216-L1247 HydrophobicContact CG-CD2 4.31Å; Y1216-M1250 HydrophobicContact CD2-SD 4.49Å; Y1216-M1250 HydrophobicContact CG-SD 4.42Å; Y1216-L1423 HydrophobicContact CD1-CD2 4.39Å; Y1216-L1423 HydrophobicContact CE1-CD2 3.86Å; Y1216-R1430 VanDerWaalsContact CZ-NH2 3.3Å; Y1216-R1430 PolarHBondContact OH-NH2 3.45Å |
| 1217 | E | 91.8 | Very high | 88.3 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.1 | -172.5 | 177.1 | -162 | 0 | 0 | 111.5 | P1212 M1213 T1214 I1219 V1220 R1221 M1250 | P1212-E1217 HydrophobicContact CB-CB 4.25Å; P1212-E1217 HydrophobicContact CB-CG 4.02Å; M1213-E1217 WeakPolarHBondContact CB-OE2 3.22Å; M1213-E1217 PolarHBondContact N-OE2 3.24Å; T1214-E1217 PolarHBondContact O-N 2.92Å; T1214-E1217 VanDerWaalsContact OG1-CB 3.24Å; T1214-E1217 WeakPolarHBondContact OG1-CB 3.21Å; T1214-E1217 PolarHBondContact OG1-N 2.99Å; E1217-I1219 PolarHBondContact O-N 3.35Å; E1217-V1220 PolarHBondContact O-N 2.78Å; E1217-R1221 VanDerWaalsContact O-CB 3.23Å; E1217-R1221 WeakPolarHBondContact O-CB 3.49Å; E1217-R1221 PolarHBondContact O-N 2.82Å; E1217-M1250 HydrophobicContact CB-CE 4.46Å |
| 1218 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1177 F1186 P1212 T1214 L1215 Y1216 D1222 Y1453 | W1177-A1218 HydrophobicContact CH2-CB 4.24Å; F1186-A1218 HydrophobicContact CD2-CB 4.04Å; F1186-A1218 HydrophobicContact CE1-CB 4.2Å; F1186-A1218 HydrophobicContact CE2-CB 3.43Å; F1186-A1218 VanDerWaalsContact CE2-CB 3.43Å; F1186-A1218 HydrophobicContact CZ-CB 3.54Å; P1212-A1218 HydrophobicContact CB-CB 3.91Å; P1212-A1218 HydrophobicContact CG-CB 3.91Å; T1214-A1218 PolarHBondContact O-N 3.26Å; L1215-A1218 PolarHBondContact O-N 2.95Å; Y1216-A1218 VanDerWaalsContact C-N 3.27Å; Y1216-A1218 PolarHBondContact O-N 3.43Å; A1218-D1222 VanDerWaalsContact O-CB 3.25Å; A1218-D1222 WeakPolarHBondContact O-CB 3.47Å; A1218-D1222 PolarHBondContact O-N 2.97Å; A1218-Y1453 HydrophobicContact CB-CD1 4.14Å; A1218-Y1453 HydrophobicContact CB-CE1 3.85Å |
| 1219 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 175.7 | -68.2 | 163.3 | 0 | 0 | 0 | 111 | L1215 Y1216 E1217 D1222 Y1223 I1236 L1247 I1421 L1423 Y1453 | L1215-I1219 PolarHBondContact O-N 3.49Å; Y1216-I1219 PolarHBondContact O-N 2.9Å; E1217-I1219 PolarHBondContact O-N 3.35Å; I1219-D1222 PolarHBondContact O-N 2.87Å; I1219-Y1223 WeakPolarHBondContact O-CB 3.34Å; I1219-Y1223 PolarHBondContact O-N 3.27Å; I1219-I1236 HydrophobicContact CG2-CG2 4.19Å; I1219-L1247 HydrophobicContact CB-CD2 3.92Å; I1219-L1247 HydrophobicContact CD1-CD1 4.23Å; I1219-L1247 HydrophobicContact CD1-CD2 4.16Å; I1219-L1247 HydrophobicContact CG2-CD1 4.18Å; I1219-L1247 HydrophobicContact CG2-CD2 3.73Å; I1219-I1421 HydrophobicContact CG1-CG2 4.35Å; I1219-I1421 HydrophobicContact CG2-CG2 4.1Å; I1219-L1423 HydrophobicContact CD1-CB 3.92Å; I1219-L1423 HydrophobicContact CD1-CD1 3.9Å; I1219-L1423 HydrophobicContact CD1-CD2 4.32Å; I1219-L1423 HydrophobicContact CD1-CG 4.25Å; I1219-Y1453 HydrophobicContact CB-CD2 4.41Å; I1219-Y1453 HydrophobicContact CD1-CD2 4.33Å; I1219-Y1453 HydrophobicContact CD1-CG 4.47Å; I1219-Y1453 HydrophobicContact CG1-CD2 3.36Å; I1219-Y1453 HydrophobicContact CG1-CE2 3.95Å; I1219-Y1453 HydrophobicContact CG1-CG 3.76Å |
| 1220 | V | 95.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | -178.4 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | Y1216 E1217 D1222 Y1223 T1224 L1247 M1250 I1251 A1254 | Y1216-V1220 WeakPolarHBondContact O-CG2 3.25Å; Y1216-V1220 PolarHBondContact O-N 3.26Å; E1217-V1220 PolarHBondContact O-N 2.78Å; V1220-D1222 VanDerWaalsContact C-N 3.32Å; V1220-D1222 PolarHBondContact O-N 2.87Å; V1220-Y1223 PolarHBondContact O-N 2.79Å; V1220-T1224 HydrophobicContact CG1-CG2 4.37Å; V1220-T1224 WeakPolarHBondContact O-CG2 3.38Å; V1220-T1224 PolarHBondContact O-N 3.34Å; V1220-T1224 PolarHBondContact O-OG1 2.83Å; V1220-L1247 HydrophobicContact CG2-CD2 4.15Å; V1220-M1250 HydrophobicContact CG1-CB 4.49Å; V1220-M1250 HydrophobicContact CG2-CB 3.54Å; V1220-M1250 HydrophobicContact CG2-CE 4.25Å; V1220-M1250 HydrophobicContact CG2-SD 4.46Å; V1220-I1251 HydrophobicContact CG1-CG1 4.35Å; V1220-I1251 HydrophobicContact CG2-CG1 4.06Å; V1220-A1254 HydrophobicContact CG1-CB 3.68Å |
| 1221 | R | 92.3 | Very high | 91.1 | Very high | 99 Ų | 99 | 30.4 Ų | 30.4 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 180 | -157.1 | 77.3 | 170.9 | 168.4 | -2.2 | 111.8 | W1177 D1210 E1217 G1225 | W1177-R1221 HydrophobicContact CB-CG 3.97Å; W1177-R1221 HydrophobicContact CE3-CB 4.25Å; W1177-R1221 HydrophobicContact CE3-CG 4.37Å; D1210-R1221 IonicContact OD1-NH2 3.49Å; D1210-R1221 PolarHBondContact OD1-NH2 2.96Å; D1210-R1221 IonicContact OD2-CZ 3.64Å; D1210-R1221 IonicContact OD2-NH2 3.87Å; D1210-R1221 PolarHBondContact OD2-NH2 3.33Å; E1217-R1221 VanDerWaalsContact O-CB 3.23Å; E1217-R1221 WeakPolarHBondContact O-CB 3.49Å; E1217-R1221 PolarHBondContact O-N 2.82Å; R1221-G1225 WeakPolarHBondContact O-CA 3.39Å; R1221-G1225 PolarHBondContact O-N 2.97Å |
| 1222 | D | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -53.7 | 172.3 | -176.7 | -4.6 | 0 | 0 | 0 | 110.8 | R1172 W1177 A1218 I1219 V1220 G1225 R1226 I1421 Q1451 Y1453 | R1172-D1222 IonicContact CZ-OD1 3.92Å; R1172-D1222 VanDerWaalsContact CZ-OD1 3.27Å; R1172-D1222 IonicContact NH1-OD1 3.38Å; R1172-D1222 PolarHBondContact NH1-OD1 2.93Å; R1172-D1222 VanDerWaalsContact NH1-OD1 3.14Å; R1172-D1222 IonicContact NH2-OD1 2.7Å; R1172-D1222 PolarHBondContact NH2-OD1 3.26Å; R1172-D1222 IonicContact NH2-OD2 2.91Å; W1177-D1222 HydrophobicContact CZ3-CB 4.18Å; A1218-D1222 VanDerWaalsContact O-CB 3.25Å; A1218-D1222 WeakPolarHBondContact O-CB 3.47Å; A1218-D1222 PolarHBondContact O-N 2.97Å; I1219-D1222 PolarHBondContact O-N 2.87Å; V1220-D1222 VanDerWaalsContact C-N 3.32Å; V1220-D1222 PolarHBondContact O-N 2.87Å; D1222-G1225 PolarHBondContact O-N 2.8Å; D1222-R1226 WeakPolarHBondContact O-CG 3.25Å; D1222-R1226 PolarHBondContact O-N 2.79Å; D1222-R1226 IonicContact OD1-CZ 3.6Å; D1222-R1226 IonicContact OD1-NE 3.9Å; D1222-R1226 PolarHBondContact OD1-NE 3.36Å; D1222-R1226 IonicContact OD1-NH2 3.3Å; D1222-R1226 PolarHBondContact OD1-NH2 3.48Å; D1222-R1226 VanDerWaalsContact OD1-NH2 3.1Å; D1222-R1226 IonicContact OD2-NH2 3.88Å; D1222-R1226 PolarHBondContact OD2-NH2 2.98Å; D1222-I1421 HydrophobicContact CB-CD1 4.39Å; D1222-Q1451 WeakPolarHBondContact OD2-CG 3.44Å; D1222-Y1453 HydrophobicContact CB-CE2 4.25Å; D1222-Y1453 WeakPolarHBondContact CB-OH 3.43Å; D1222-Y1453 WeakPolarHBondContact OD2-CE2 3.37Å; D1222-Y1453 PolarHBondContact OD2-OH 2.85Å |
| 1223 | Y | 94.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -48.5 | -179.1 | -179.5 | -104.9 | 0 | 0 | 0 | 112.2 | I1219 V1220 G1225 R1226 R1231 T1234 I1236 I1251 Y1405 | I1219-Y1223 WeakPolarHBondContact O-CB 3.34Å; I1219-Y1223 PolarHBondContact O-N 3.27Å; V1220-Y1223 PolarHBondContact O-N 2.79Å; Y1223-G1225 PolarHBondContact O-N 3.05Å; Y1223-R1226 WeakPolarHBondContact O-CB 3.36Å; Y1223-R1226 PolarHBondContact O-N 3.39Å; Y1223-R1231 HydrophobicContact CD2-CG 4.42Å; Y1223-R1231 HydrophobicContact CE2-CB 3.88Å; Y1223-R1231 HydrophobicContact CE2-CG 4.15Å; Y1223-R1231 VanDerWaalsContact O-CG 3.29Å; Y1223-R1231 WeakPolarHBondContact O-CG 3.42Å; Y1223-R1231 PolarHBondContact O-NE 3.12Å; Y1223-T1234 HydrophobicContact CD2-CG2 3.98Å; Y1223-T1234 HydrophobicContact CE2-CG2 4.25Å; Y1223-I1236 HydrophobicContact CD1-CD1 4.3Å; Y1223-I1236 HydrophobicContact CD2-CD1 3.74Å; Y1223-I1236 HydrophobicContact CD2-CG1 4.19Å; Y1223-I1236 HydrophobicContact CE2-CD1 4.22Å; Y1223-I1236 HydrophobicContact CG-CD1 3.78Å; Y1223-I1251 HydrophobicContact CD1-CD1 4.08Å; Y1223-I1251 HydrophobicContact CD1-CG1 4.2Å; Y1223-I1251 HydrophobicContact CD1-CG2 3.74Å; Y1223-I1251 HydrophobicContact CE1-CG2 3.65Å; Y1223-Y1405 HydrophobicContact CE1-CD1 4.07Å |
| 1224 | T | 93 | Very high | 91.8 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.5 | -15.9 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | V1220 R1226 R1231 A1254 R1255 | V1220-T1224 HydrophobicContact CG1-CG2 4.37Å; V1220-T1224 WeakPolarHBondContact O-CG2 3.38Å; V1220-T1224 PolarHBondContact O-N 3.34Å; V1220-T1224 PolarHBondContact O-OG1 2.83Å; T1224-R1226 VanDerWaalsContact C-N 3.33Å; T1224-R1231 PolarHBondContact O-NH2 2.77Å; T1224-A1254 HydrophobicContact CG2-CB 3.77Å; T1224-R1255 HydrophobicContact CG2-CG 4.28Å |
| 1225 | G | 91.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.8 | -19.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1172 L1173 A1176 R1221 D1222 Y1223 | R1172-G1225 CarbonylContact C-O 3.54Å; R1172-G1225 VanDerWaalsContact CA-O 3.28Å; R1172-G1225 WeakPolarHBondContact CA-O 3.31Å; R1172-G1225 WeakPolarHBondContact CB-O 3.47Å; L1173-G1225 PolarHBondContact N-O 3.13Å; A1176-G1225 WeakPolarHBondContact CB-O 3.49Å; R1221-G1225 WeakPolarHBondContact O-CA 3.39Å; R1221-G1225 PolarHBondContact O-N 2.97Å; D1222-G1225 PolarHBondContact O-N 2.8Å; Y1223-G1225 PolarHBondContact O-N 3.05Å |
| 1226 | R | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 155.4 | 178.7 | -67.2 | 170 | -168.2 | -140.1 | -4.7 | 111.8 | V1170 P1171 D1222 Y1223 T1224 A1230 R1231 T1234 I1421 | V1170-R1226 HydrophobicContact CG1-CG 3.76Å; P1171-R1226 WeakPolarHBondContact O-CA 3.5Å; D1222-R1226 WeakPolarHBondContact O-CG 3.25Å; D1222-R1226 PolarHBondContact O-N 2.79Å; D1222-R1226 IonicContact OD1-CZ 3.6Å; D1222-R1226 IonicContact OD1-NE 3.9Å; D1222-R1226 PolarHBondContact OD1-NE 3.36Å; D1222-R1226 IonicContact OD1-NH2 3.3Å; D1222-R1226 PolarHBondContact OD1-NH2 3.48Å; D1222-R1226 VanDerWaalsContact OD1-NH2 3.1Å; D1222-R1226 IonicContact OD2-NH2 3.88Å; D1222-R1226 PolarHBondContact OD2-NH2 2.98Å; Y1223-R1226 WeakPolarHBondContact O-CB 3.36Å; Y1223-R1226 PolarHBondContact O-N 3.39Å; T1224-R1226 VanDerWaalsContact C-N 3.33Å; R1226-A1230 HydrophobicContact CB-CB 4.09Å; R1226-R1231 HydrophobicContact CB-CG 3.7Å; R1226-R1231 VanDerWaalsContact O-CZ 3.27Å; R1226-R1231 PolarHBondContact O-NE 3.22Å; R1226-R1231 PolarHBondContact O-NH2 3.35Å; R1226-T1234 PolarHBondContact NH1-OG1 3.18Å; R1226-I1421 VanDerWaalsContact NH2-CG1 3.34Å |
| 1227 | T | 92.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 32 Ų | 32 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | trans | -65 | 156.4 | 170.7 | 73.1 | 0 | 0 | 0 | 0 | 110.8 | P1171 L1173 E1229 A1230 R1231 | P1171-T1227 HydrophobicContact CB-CG2 3.96Å; P1171-T1227 PolarHBondContact O-N 3.21Å; P1171-T1227 VanDerWaalsContact O-N 3.1Å; L1173-T1227 HydrophobicContact CD2-CG2 4.48Å; T1227-E1229 VanDerWaalsContact C-N 3.29Å; T1227-E1229 PolarHBondContact O-N 3Å; T1227-E1229 PolarHBondContact OG1-OE2 2.89Å; T1227-A1230 PolarHBondContact O-N 2.92Å; T1227-A1230 PolarHBondContact OG1-N 2.65Å; T1227-R1231 WeakPolarHBondContact O-CG 3.34Å; T1227-R1231 PolarHBondContact O-N 3.06Å | ||
| 1228 | P | 89.3 | Confident | 92 | Very high | 70 Ų | 70 | 28.8 Ų | 28.8 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -49.7 | -47.8 | 177.8 | -29.6 | 37.1 | 0 | 0 | 0 | 113 | A1230 R1231 E1232 | P1228-A1230 PolarHBondContact O-N 2.89Å; P1228-R1231 WeakPolarHBondContact O-CB 3.43Å; P1228-R1231 PolarHBondContact O-N 3.24Å; P1228-E1232 VanDerWaalsContact O-CG 3.24Å; P1228-E1232 WeakPolarHBondContact O-CG 3.37Å; P1228-E1232 PolarHBondContact O-N 3.01Å |
| 1229 | E | 90.5 | Very high | 91.5 | Very high | 125 Ų | 125 | 29.9 Ų | 29.9 | 58% | 0.584 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -62.6 | -40.6 | 179.2 | -56 | 77.4 | -169.4 | 0 | 0 | 112 | T1227 R1231 E1232 Q1233 | T1227-E1229 VanDerWaalsContact C-N 3.29Å; T1227-E1229 PolarHBondContact O-N 3Å; T1227-E1229 PolarHBondContact OG1-OE2 2.89Å; E1229-R1231 VanDerWaalsContact C-N 3.35Å; E1229-E1232 PolarHBondContact O-N 2.89Å; E1229-Q1233 PolarHBondContact O-N 3.18Å |
| 1230 | A | 91.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1170 P1171 R1226 T1227 P1228 E1232 Q1233 T1234 F1419 | V1170-A1230 HydrophobicContact CG1-CB 4.49Å; P1171-A1230 HydrophobicContact CB-CB 4.23Å; P1171-A1230 HydrophobicContact CG-CB 4.4Å; R1226-A1230 HydrophobicContact CB-CB 4.09Å; T1227-A1230 PolarHBondContact O-N 2.92Å; T1227-A1230 PolarHBondContact OG1-N 2.65Å; P1228-A1230 PolarHBondContact O-N 2.89Å; A1230-E1232 VanDerWaalsContact C-N 3.34Å; A1230-Q1233 CarbonylContact O-C 3.44Å; A1230-Q1233 PolarHBondContact O-N 3.06Å; A1230-T1234 WeakPolarHBondContact O-CB 3.18Å; A1230-T1234 PolarHBondContact O-N 3.41Å; A1230-T1234 PolarHBondContact O-OG1 2.76Å; A1230-F1419 HydrophobicContact CB-CE2 4.17Å |
| 1231 | R | 91.4 | Very high | 90 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 173.3 | -66.4 | 175.8 | -162 | 161 | -0 | 111.3 | Y1223 T1224 R1226 T1227 P1228 E1229 Q1233 T1234 E1260 | Y1223-R1231 HydrophobicContact CD2-CG 4.42Å; Y1223-R1231 HydrophobicContact CE2-CB 3.88Å; Y1223-R1231 HydrophobicContact CE2-CG 4.15Å; Y1223-R1231 VanDerWaalsContact O-CG 3.29Å; Y1223-R1231 WeakPolarHBondContact O-CG 3.42Å; Y1223-R1231 PolarHBondContact O-NE 3.12Å; T1224-R1231 PolarHBondContact O-NH2 2.77Å; R1226-R1231 HydrophobicContact CB-CG 3.7Å; R1226-R1231 VanDerWaalsContact O-CZ 3.27Å; R1226-R1231 PolarHBondContact O-NE 3.22Å; R1226-R1231 PolarHBondContact O-NH2 3.35Å; T1227-R1231 WeakPolarHBondContact O-CG 3.34Å; T1227-R1231 PolarHBondContact O-N 3.06Å; P1228-R1231 WeakPolarHBondContact O-CB 3.43Å; P1228-R1231 PolarHBondContact O-N 3.24Å; E1229-R1231 VanDerWaalsContact C-N 3.35Å; R1231-Q1233 PolarHBondContact O-N 3.34Å; R1231-T1234 PolarHBondContact O-N 3.26Å; R1231-E1260 IonicContact CZ-OE1 3.24Å; R1231-E1260 IonicContact CZ-OE2 2.69Å; R1231-E1260 IonicContact NH1-OE1 3.75Å; R1231-E1260 PolarHBondContact NH1-OE1 3.34Å; R1231-E1260 IonicContact NH1-OE2 3.06Å; R1231-E1260 PolarHBondContact NH1-OE2 3.35Å; R1231-E1260 IonicContact NH2-OE1 3.65Å; R1231-E1260 PolarHBondContact NH2-OE1 3.31Å; R1231-E1260 IonicContact NH2-OE2 3.77Å |
| 1232 | E | 86.8 | Confident | 89.4 | Confident | 118 Ų | 118 | 35 Ų | 35 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.7 | -31.2 | 178.8 | -58.2 | -151.3 | 128.2 | 0 | 0 | 112.9 | P1228 E1229 A1230 R1351 | P1228-E1232 VanDerWaalsContact O-CG 3.24Å; P1228-E1232 WeakPolarHBondContact O-CG 3.37Å; P1228-E1232 PolarHBondContact O-N 3.01Å; E1229-E1232 PolarHBondContact O-N 2.89Å; A1230-E1232 VanDerWaalsContact C-N 3.34Å; E1232-R1351 VanDerWaalsContact CA-NH2 3.31Å; E1232-R1351 VanDerWaalsContact CB-NH2 3.26Å; E1232-R1351 PolarHBondContact O-NH1 2.91Å; E1232-R1351 IonicContact OE1-NH2 3.93Å; E1232-R1351 PolarHBondContact OE1-NH2 2.53Å |
| 1233 | Q | 90.7 | Very high | 89 | Confident | 87 Ų | 87 | 35.3 Ų | 35.3 | 41% | 0.407 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 19.4 | 178.4 | -57 | -176.8 | -7.8 | 0 | 0 | 113.4 | E1229 A1230 R1231 T1418 F1419 | E1229-Q1233 PolarHBondContact O-N 3.18Å; A1230-Q1233 CarbonylContact O-C 3.44Å; A1230-Q1233 PolarHBondContact O-N 3.06Å; R1231-Q1233 PolarHBondContact O-N 3.34Å; Q1233-T1418 PolarHBondContact O-N 3.03Å; Q1233-T1418 PolarHBondContact OE1-OG1 2.79Å; Q1233-F1419 HydrophobicContact CB-CD2 4.41Å; Q1233-F1419 PolarHBondContact O-N 3.41Å |
| 1234 | T | 92.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | Y1223 R1226 A1230 R1231 F1419 I1421 | Y1223-T1234 HydrophobicContact CD2-CG2 3.98Å; Y1223-T1234 HydrophobicContact CE2-CG2 4.25Å; R1226-T1234 PolarHBondContact NH1-OG1 3.18Å; A1230-T1234 WeakPolarHBondContact O-CB 3.18Å; A1230-T1234 PolarHBondContact O-N 3.41Å; A1230-T1234 PolarHBondContact O-OG1 2.76Å; R1231-T1234 PolarHBondContact O-N 3.26Å; T1234-F1419 WeakPolarHBondContact CA-O 3.45Å; T1234-I1421 HydrophobicContact CG2-CD1 4Å; T1234-I1421 HydrophobicContact CG2-CG1 3.93Å |
| 1235 | L | 90.5 | Very high | 88.4 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.2 | 170.5 | -173 | 66 | 0 | 0 | 0 | 111 | V1237 I1407 A1412 A1415 E1417 F1419 A1420 I1421 R1445 | L1235-V1237 HydrophobicContact CD2-CG2 3.76Å; L1235-V1237 HydrophobicContact CG-CG2 3.85Å; L1235-I1407 HydrophobicContact CD1-CG2 3.69Å; L1235-I1407 HydrophobicContact CG-CG2 4.24Å; L1235-A1412 HydrophobicContact CD2-CB 4.18Å; L1235-A1415 HydrophobicContact CD2-CB 3.73Å; L1235-E1417 HydrophobicContact CB-CB 4Å; L1235-E1417 HydrophobicContact CB-CG 3.83Å; L1235-F1419 PolarHBondContact N-O 3.19Å; L1235-A1420 CarbonylContact O-C 3.47Å; L1235-A1420 VanDerWaalsContact O-CA 3.26Å; L1235-A1420 WeakPolarHBondContact O-CA 3.5Å; L1235-I1421 PolarHBondContact O-N 3.41Å; L1235-R1445 HydrophobicContact CD2-CB 3.99Å; L1235-R1445 HydrophobicContact CD2-CG 4.29Å |
| 1236 | I | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.7 | 170.5 | -50.2 | 175.3 | 0 | 0 | 0 | 109 | I1219 Y1223 L1247 I1251 A1406 I1407 I1421 | I1219-I1236 HydrophobicContact CG2-CG2 4.19Å; Y1223-I1236 HydrophobicContact CD1-CD1 4.3Å; Y1223-I1236 HydrophobicContact CD2-CD1 3.74Å; Y1223-I1236 HydrophobicContact CD2-CG1 4.19Å; Y1223-I1236 HydrophobicContact CE2-CD1 4.22Å; Y1223-I1236 HydrophobicContact CG-CD1 3.78Å; I1236-L1247 HydrophobicContact CG2-CD1 4.27Å; I1236-I1251 HydrophobicContact CD1-CD1 3.39Å; I1236-A1406 HydrophobicContact CB-CB 3.99Å; I1236-A1406 HydrophobicContact CG2-CB 3.92Å; I1236-A1406 WeakPolarHBondContact O-CA 3.39Å; I1236-I1407 PolarHBondContact O-N 3.05Å; I1236-I1421 CarbonylContact C-O 3.55Å; I1236-I1421 WeakPolarHBondContact CA-O 3.47Å; I1236-I1421 HydrophobicContact CG1-CB 4.34Å; I1236-I1421 HydrophobicContact CG1-CD1 4.36Å; I1236-I1421 HydrophobicContact CG2-CB 4.46Å |
| 1237 | V | 90.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.3 | -176.8 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | L1235 I1407 A1409 A1412 I1421 L1423 A1442 | L1235-V1237 HydrophobicContact CD2-CG2 3.76Å; L1235-V1237 HydrophobicContact CG-CG2 3.85Å; V1237-I1407 CarbonylContact C-O 3.55Å; V1237-I1407 WeakPolarHBondContact CA-O 3.39Å; V1237-A1409 HydrophobicContact CG1-CB 4.12Å; V1237-A1412 HydrophobicContact CG1-CB 4.23Å; V1237-A1412 HydrophobicContact CG2-CB 4.03Å; V1237-I1421 PolarHBondContact N-O 3.26Å; V1237-L1423 PolarHBondContact O-N 2.82Å; V1237-A1442 HydrophobicContact CG1-CB 4.12Å |
| 1238 | T | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 164.1 | 171.5 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | L1240 D1243 L1247 A1406 I1407 T1408 A1409 L1423 | T1238-L1240 PolarHBondContact OG1-O 3.43Å; T1238-L1240 VanDerWaalsContact OG1-O 3.09Å; T1238-D1243 HydrophobicContact CG2-CB 4.2Å; T1238-L1247 HydrophobicContact CG2-CD1 3.52Å; T1238-A1406 HydrophobicContact CG2-CB 4.48Å; T1238-I1407 PolarHBondContact N-O 3.48Å; T1238-T1408 CarbonylContact O-C 3.56Å; T1238-T1408 VanDerWaalsContact O-C 3.28Å; T1238-T1408 WeakPolarHBondContact O-CA 3.24Å; T1238-A1409 PolarHBondContact O-N 3.43Å; T1238-L1423 HydrophobicContact CG2-CB 4.2Å; T1238-L1423 HydrophobicContact CG2-CD2 4.06Å |
| 1239 | H | 80.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 11% | 0.106 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -91.3 | -34.7 | 173.8 | -65.3 | -55.2 | 0 | 0 | 0 | 113 | A1409 E1424 M1433 | H1239-A1409 WeakPolarHBondContact ND1-CB 3.46Å; H1239-E1424 IonicContact CD2-OE2 3.25Å; H1239-E1424 IonicContact CE1-OE1 2.89Å; H1239-E1424 IonicContact CE1-OE2 3.96Å; H1239-E1424 IonicContact NE2-OE1 3.79Å; H1239-E1424 PolarHBondContact NE2-OE1 2.9Å; H1239-E1424 IonicContact NE2-OE2 3.55Å; H1239-E1424 PolarHBondContact NE2-OE2 3.2Å; H1239-M1433 HydrophobicContact CB-CB 3.9Å; H1239-M1433 HydrophobicContact CB-CG 4.39Å |
| 1240 | L | 80.3 | Confident | 88.6 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -101.4 | 145.2 | -175.9 | -56 | 174.5 | 0 | 0 | 0 | 111.8 | T1238 E1242 D1243 R1244 N1429 R1430 M1433 | T1238-L1240 PolarHBondContact OG1-O 3.43Å; T1238-L1240 VanDerWaalsContact OG1-O 3.09Å; L1240-E1242 VanDerWaalsContact C-N 3.25Å; L1240-E1242 PolarHBondContact O-N 2.96Å; L1240-D1243 HydrophobicContact CB-CB 4.29Å; L1240-R1244 WeakPolarHBondContact O-CB 3.16Å; L1240-R1244 PolarHBondContact O-N 3.07Å; L1240-N1429 HydrophobicContact CD1-CB 3.65Å; L1240-N1429 HydrophobicContact CD2-CB 4.29Å; L1240-R1430 HydrophobicContact CD1-CG 3.75Å; L1240-R1430 HydrophobicContact CG-CG 4.34Å; L1240-M1433 HydrophobicContact CD2-CG 4.08Å |
| 1241 | N | 78.2 | Confident | 88.7 | Confident | 59 Ų | 59 | 35.1 Ų | 35.1 | 32% | 0.316 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64 | -32.2 | 171.2 | -84 | -38.8 | 0 | 0 | 0 | 112.2 | R1244 R1245 T1408 | N1241-R1244 WeakPolarHBondContact O-CB 3.41Å; N1241-R1244 PolarHBondContact O-N 3.39Å; N1241-R1244 PolarHBondContact OD1-NE 3.39Å; N1241-R1245 WeakPolarHBondContact O-CG 3.2Å; N1241-R1245 PolarHBondContact O-N 2.88Å; N1241-R1245 VanDerWaalsContact O-N 3.09Å; N1241-T1408 VanDerWaalsContact OD1-CG2 3.25Å; N1241-T1408 WeakPolarHBondContact OD1-CG2 3.12Å |
| 1242 | E | 80.9 | Confident | 88.8 | Confident | 127 Ų | 127 | 35 Ų | 35 | 59% | 0.593 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -65.6 | -54.6 | 177.3 | -175.7 | 175.5 | -174.4 | 0 | 0 | 111.3 | L1240 R1244 R1245 V1246 | L1240-E1242 VanDerWaalsContact C-N 3.25Å; L1240-E1242 PolarHBondContact O-N 2.96Å; E1242-R1244 PolarHBondContact O-N 2.65Å; E1242-R1245 PolarHBondContact O-N 3.22Å; E1242-V1246 WeakPolarHBondContact O-CG2 2.95Å; E1242-V1246 PolarHBondContact O-N 2.84Å |
| 1243 | D | 85.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50.4 | -44 | 174.1 | -65 | -25.5 | 0 | 0 | 0 | 111.4 | Y1216 T1238 L1240 R1245 V1246 L1247 L1423 R1430 | Y1216-D1243 PolarHBondContact OH-OD1 3.35Å; T1238-D1243 HydrophobicContact CG2-CB 4.2Å; L1240-D1243 HydrophobicContact CB-CB 4.29Å; D1243-R1245 PolarHBondContact O-N 2.87Å; D1243-V1246 PolarHBondContact O-N 3.38Å; D1243-L1247 WeakPolarHBondContact O-CB 3.47Å; D1243-L1247 WeakPolarHBondContact O-CG 3.24Å; D1243-L1247 PolarHBondContact O-N 3.47Å; D1243-L1423 HydrophobicContact CB-CD2 3.85Å; D1243-R1430 IonicContact OD1-CZ 3.68Å; D1243-R1430 IonicContact OD1-NE 3.33Å; D1243-R1430 PolarHBondContact OD1-NE 2.8Å; D1243-R1430 IonicContact OD1-NH2 3.87Å; D1243-R1430 PolarHBondContact OD1-NH2 3.48Å; D1243-R1430 IonicContact OD2-CZ 3.33Å; D1243-R1430 IonicContact OD2-NE 2.8Å; D1243-R1430 PolarHBondContact OD2-NE 3.46Å; D1243-R1430 IonicContact OD2-NH2 2.96Å |
| 1244 | R | 89 | Confident | 89.2 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 179.9 | -170.2 | -176.1 | 62.3 | 65.3 | -7.9 | 112.2 | L1240 N1241 E1242 N1248 D1402 A1406 | L1240-R1244 WeakPolarHBondContact O-CB 3.16Å; L1240-R1244 PolarHBondContact O-N 3.07Å; N1241-R1244 WeakPolarHBondContact O-CB 3.41Å; N1241-R1244 PolarHBondContact O-N 3.39Å; N1241-R1244 PolarHBondContact OD1-NE 3.39Å; E1242-R1244 PolarHBondContact O-N 2.65Å; R1244-N1248 PolarHBondContact NH1-ND2 2.96Å; R1244-N1248 VanDerWaalsContact O-CB 3.25Å; R1244-N1248 WeakPolarHBondContact O-CB 3.28Å; R1244-N1248 PolarHBondContact O-N 2.68Å; R1244-N1248 PolarHBondContact O-ND2 2.98Å; R1244-D1402 IonicContact CZ-OD2 2.74Å; R1244-D1402 IonicContact NH1-OD1 3.32Å; R1244-D1402 IonicContact NH1-OD2 3.79Å; R1244-D1402 PolarHBondContact NH1-OD2 3.47Å; R1244-D1402 IonicContact NH2-OD2 3.87Å; R1244-D1402 PolarHBondContact NH2-OD2 3.23Å; R1244-A1406 WeakPolarHBondContact CD-O 3.34Å; R1244-A1406 HydrophobicContact CG-CB 3.87Å; R1244-A1406 VanDerWaalsContact CG-O 3.28Å; R1244-A1406 WeakPolarHBondContact CG-O 3.42Å |
| 1245 | R | 85.5 | Confident | 89.2 | Confident | 81 Ų | 81 | 29.5 Ų | 29.5 | 31% | 0.306 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.5 | -44.7 | 178.9 | -75.3 | -171.8 | -167.6 | 161.3 | 22.1 | 111.4 | N1241 E1242 D1243 N1248 S1249 N1272 D1342 | N1241-R1245 WeakPolarHBondContact O-CG 3.2Å; N1241-R1245 PolarHBondContact O-N 2.88Å; N1241-R1245 VanDerWaalsContact O-N 3.09Å; E1242-R1245 PolarHBondContact O-N 3.22Å; D1243-R1245 PolarHBondContact O-N 2.87Å; R1245-N1248 PolarHBondContact O-N 3.41Å; R1245-S1249 PolarHBondContact O-N 2.72Å; R1245-N1272 PolarHBondContact NH1-ND2 2.92Å; R1245-N1272 PolarHBondContact NH2-ND2 2.88Å; R1245-N1272 PolarHBondContact NH2-OD1 3.26Å; R1245-D1342 IonicContact NH1-OD2 3.65Å; R1245-D1342 PolarHBondContact NH1-OD2 3.09Å |
| 1246 | V | 89.1 | Confident | 89.2 | Confident | 53 Ų | 53 | 32.1 Ų | 32.1 | 32% | 0.321 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 177.7 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | Y1216 E1242 D1243 N1248 S1249 M1250 | Y1216-V1246 HydrophobicContact CD2-CG1 3.86Å; Y1216-V1246 HydrophobicContact CE2-CG1 3.86Å; Y1216-V1246 HydrophobicContact CG-CG1 4.43Å; E1242-V1246 WeakPolarHBondContact O-CG2 2.95Å; E1242-V1246 PolarHBondContact O-N 2.84Å; D1243-V1246 PolarHBondContact O-N 3.38Å; V1246-N1248 PolarHBondContact O-N 2.85Å; V1246-S1249 PolarHBondContact O-N 3.16Å; V1246-M1250 HydrophobicContact CG1-CG 4.44Å; V1246-M1250 HydrophobicContact CG1-SD 3.96Å; V1246-M1250 WeakPolarHBondContact O-CG 3.4Å; V1246-M1250 PolarHBondContact O-N 3.35Å |
| 1247 | L | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.7 | -76.4 | 177.2 | 0 | 0 | 0 | 112.4 | Y1216 I1219 V1220 I1236 T1238 D1243 S1249 M1250 I1251 A1406 L1423 | Y1216-L1247 HydrophobicContact CD1-CD2 3.81Å; Y1216-L1247 HydrophobicContact CD1-CG 4.12Å; Y1216-L1247 HydrophobicContact CG-CD2 4.31Å; I1219-L1247 HydrophobicContact CB-CD2 3.92Å; I1219-L1247 HydrophobicContact CD1-CD1 4.23Å; I1219-L1247 HydrophobicContact CD1-CD2 4.16Å; I1219-L1247 HydrophobicContact CG2-CD1 4.18Å; I1219-L1247 HydrophobicContact CG2-CD2 3.73Å; V1220-L1247 HydrophobicContact CG2-CD2 4.15Å; I1236-L1247 HydrophobicContact CG2-CD1 4.27Å; T1238-L1247 HydrophobicContact CG2-CD1 3.52Å; D1243-L1247 WeakPolarHBondContact O-CB 3.47Å; D1243-L1247 WeakPolarHBondContact O-CG 3.24Å; D1243-L1247 PolarHBondContact O-N 3.47Å; L1247-S1249 VanDerWaalsContact C-N 3.33Å; L1247-S1249 PolarHBondContact O-N 3.11Å; L1247-M1250 PolarHBondContact O-N 2.89Å; L1247-I1251 WeakPolarHBondContact O-CB 3.46Å; L1247-I1251 WeakPolarHBondContact O-CD1 3.4Å; L1247-I1251 WeakPolarHBondContact O-CG1 3.41Å; L1247-I1251 PolarHBondContact O-N 2.89Å; L1247-A1406 HydrophobicContact CB-CB 4.42Å; L1247-L1423 HydrophobicContact CD1-CD2 4.14Å |
| 1248 | N | 93.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 176.7 | -82.4 | -12.8 | 0 | 0 | 0 | 111.9 | R1244 R1245 V1246 I1251 H1252 L1403 Y1405 A1406 | R1244-N1248 PolarHBondContact NH1-ND2 2.96Å; R1244-N1248 VanDerWaalsContact O-CB 3.25Å; R1244-N1248 WeakPolarHBondContact O-CB 3.28Å; R1244-N1248 PolarHBondContact O-N 2.68Å; R1244-N1248 PolarHBondContact O-ND2 2.98Å; R1245-N1248 PolarHBondContact O-N 3.41Å; V1246-N1248 PolarHBondContact O-N 2.85Å; N1248-I1251 PolarHBondContact O-N 2.72Å; N1248-H1252 WeakPolarHBondContact O-CB 3.43Å; N1248-H1252 PolarHBondContact O-N 3.19Å; N1248-L1403 HydrophobicContact CB-CB 3.85Å; N1248-L1403 HydrophobicContact CB-CD1 4.18Å; N1248-L1403 PolarHBondContact ND2-O 3.01Å; N1248-Y1405 WeakPolarHBondContact OD1-CB 3.5Å; N1248-Y1405 PolarHBondContact OD1-N 3.11Å; N1248-A1406 PolarHBondContact OD1-N 3.33Å |
| 1249 | S | 91.3 | Very high | 88.6 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | R1245 V1246 L1247 I1251 H1252 D1253 | R1245-S1249 PolarHBondContact O-N 2.72Å; V1246-S1249 PolarHBondContact O-N 3.16Å; L1247-S1249 VanDerWaalsContact C-N 3.33Å; L1247-S1249 PolarHBondContact O-N 3.11Å; S1249-I1251 VanDerWaalsContact C-N 3.34Å; S1249-I1251 PolarHBondContact O-N 3.49Å; S1249-H1252 WeakPolarHBondContact O-CB 3.48Å; S1249-H1252 PolarHBondContact O-N 3.06Å; S1249-D1253 VanDerWaalsContact O-CG 3.3Å; S1249-D1253 PolarHBondContact O-N 3.47Å |
| 1250 | M | 94.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 49 Ų | 49 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 179.6 | -69.5 | -179.5 | 71.3 | 0 | 0 | 112.5 | Y1216 E1217 V1220 V1246 L1247 D1253 A1254 | Y1216-M1250 HydrophobicContact CD2-SD 4.49Å; Y1216-M1250 HydrophobicContact CG-SD 4.42Å; E1217-M1250 HydrophobicContact CB-CE 4.46Å; V1220-M1250 HydrophobicContact CG1-CB 4.49Å; V1220-M1250 HydrophobicContact CG2-CB 3.54Å; V1220-M1250 HydrophobicContact CG2-CE 4.25Å; V1220-M1250 HydrophobicContact CG2-SD 4.46Å; V1246-M1250 HydrophobicContact CG1-CG 4.44Å; V1246-M1250 HydrophobicContact CG1-SD 3.96Å; V1246-M1250 WeakPolarHBondContact O-CG 3.4Å; V1246-M1250 PolarHBondContact O-N 3.35Å; L1247-M1250 PolarHBondContact O-N 2.89Å; M1250-D1253 PolarHBondContact O-N 3.14Å; M1250-A1254 VanDerWaalsContact O-CB 3.31Å; M1250-A1254 WeakPolarHBondContact O-CB 3.39Å; M1250-A1254 PolarHBondContact O-N 3.36Å |
| 1251 | I | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 174 | -70.1 | 166.7 | 0 | 0 | 0 | 110.3 | V1220 Y1223 I1236 L1247 N1248 S1249 A1254 R1255 Y1405 | V1220-I1251 HydrophobicContact CG1-CG1 4.35Å; V1220-I1251 HydrophobicContact CG2-CG1 4.06Å; Y1223-I1251 HydrophobicContact CD1-CD1 4.08Å; Y1223-I1251 HydrophobicContact CD1-CG1 4.2Å; Y1223-I1251 HydrophobicContact CD1-CG2 3.74Å; Y1223-I1251 HydrophobicContact CE1-CG2 3.65Å; I1236-I1251 HydrophobicContact CD1-CD1 3.39Å; L1247-I1251 WeakPolarHBondContact O-CB 3.46Å; L1247-I1251 WeakPolarHBondContact O-CD1 3.4Å; L1247-I1251 WeakPolarHBondContact O-CG1 3.41Å; L1247-I1251 PolarHBondContact O-N 2.89Å; N1248-I1251 PolarHBondContact O-N 2.72Å; S1249-I1251 VanDerWaalsContact C-N 3.34Å; S1249-I1251 PolarHBondContact O-N 3.49Å; I1251-A1254 PolarHBondContact O-N 3.42Å; I1251-R1255 HydrophobicContact CG2-CG 4.47Å; I1251-R1255 VanDerWaalsContact O-CG 3.31Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 2.96Å; I1251-Y1405 HydrophobicContact CB-CD2 4.12Å; I1251-Y1405 HydrophobicContact CB-CG 4.25Å; I1251-Y1405 HydrophobicContact CD1-CG 4.42Å; I1251-Y1405 HydrophobicContact CG2-CD1 3.82Å; I1251-Y1405 HydrophobicContact CG2-CD2 3.75Å; I1251-Y1405 HydrophobicContact CG2-CE1 4.08Å; I1251-Y1405 HydrophobicContact CG2-CE2 4.03Å; I1251-Y1405 HydrophobicContact CG2-CG 3.63Å |
| 1252 | H | 93.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -51 | 174.1 | 173.4 | 88 | 0 | 0 | 0 | 110.9 | N1248 S1249 A1254 R1255 E1256 L1261 Q1265 R1345 D1350 L1403 Y1405 | N1248-H1252 WeakPolarHBondContact O-CB 3.43Å; N1248-H1252 PolarHBondContact O-N 3.19Å; S1249-H1252 WeakPolarHBondContact O-CB 3.48Å; S1249-H1252 PolarHBondContact O-N 3.06Å; H1252-A1254 VanDerWaalsContact C-N 3.31Å; H1252-A1254 PolarHBondContact O-N 3.47Å; H1252-R1255 PolarHBondContact O-N 2.81Å; H1252-R1255 VanDerWaalsContact O-N 3.15Å; H1252-E1256 WeakPolarHBondContact O-CB 3.47Å; H1252-E1256 PolarHBondContact O-N 3.25Å; H1252-L1261 WeakPolarHBondContact ND1-CD1 3.42Å; H1252-Q1265 PolarHBondContact CE1-OE1 3.29Å; H1252-Q1265 PolarHBondContact NE2-OE1 3Å; H1252-R1345 VanDerWaalsContact NE2-CB 3.32Å; H1252-R1345 WeakPolarHBondContact NE2-CB 3.26Å; H1252-D1350 IonicContact CE1-OD2 3.6Å; H1252-D1350 PolarHBondContact CE1-OD2 3.49Å; H1252-D1350 IonicContact ND1-OD1 3.47Å; H1252-D1350 PolarHBondContact ND1-OD1 3.14Å; H1252-D1350 VanDerWaalsContact ND1-OD1 3.1Å; H1252-D1350 IonicContact ND1-OD2 3.77Å; H1252-D1350 PolarHBondContact ND1-OD2 3.02Å; H1252-L1403 HydrophobicContact CB-CD1 4.09Å; H1252-Y1405 HydrophobicContact CB-CE2 4.39Å |
| 1253 | D | 92.9 | Very high | 89.5 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 177.7 | -73.1 | -33.8 | 0 | 0 | 0 | 113.2 | S1249 M1250 K1257 R1345 | S1249-D1253 VanDerWaalsContact O-CG 3.3Å; S1249-D1253 PolarHBondContact O-N 3.47Å; M1250-D1253 PolarHBondContact O-N 3.14Å; D1253-K1257 WeakPolarHBondContact O-CB 2.81Å; D1253-K1257 VanDerWaalsContact O-CG 3.26Å; D1253-K1257 WeakPolarHBondContact O-CG 3.12Å; D1253-K1257 PolarHBondContact O-N 3.22Å; D1253-R1345 IonicContact OD1-CZ 3.91Å; D1253-R1345 IonicContact OD1-NH1 3.84Å; D1253-R1345 PolarHBondContact OD1-NH1 3.14Å; D1253-R1345 IonicContact OD1-NH2 2.84Å; D1253-R1345 PolarHBondContact OD1-NH2 3.1Å; D1253-R1345 IonicContact OD2-NH2 3.51Å |
| 1254 | A | 92.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1220 T1224 M1250 I1251 H1252 A1258 | V1220-A1254 HydrophobicContact CG1-CB 3.68Å; T1224-A1254 HydrophobicContact CG2-CB 3.77Å; M1250-A1254 VanDerWaalsContact O-CB 3.31Å; M1250-A1254 WeakPolarHBondContact O-CB 3.39Å; M1250-A1254 PolarHBondContact O-N 3.36Å; I1251-A1254 PolarHBondContact O-N 3.42Å; H1252-A1254 VanDerWaalsContact C-N 3.31Å; H1252-A1254 PolarHBondContact O-N 3.47Å; A1254-A1258 WeakPolarHBondContact O-CB 3.46Å; A1254-A1258 PolarHBondContact O-N 3.19Å |
| 1255 | R | 92.3 | Very high | 89.2 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73 | -34.3 | 177.1 | -68.5 | -179.5 | 66.9 | 121.8 | 2.8 | 112.7 | T1224 I1251 H1252 A1258 G1259 E1260 L1261 | T1224-R1255 HydrophobicContact CG2-CG 4.28Å; I1251-R1255 HydrophobicContact CG2-CG 4.47Å; I1251-R1255 VanDerWaalsContact O-CG 3.31Å; I1251-R1255 WeakPolarHBondContact O-CG 3.49Å; I1251-R1255 PolarHBondContact O-N 2.96Å; H1252-R1255 PolarHBondContact O-N 2.81Å; H1252-R1255 VanDerWaalsContact O-N 3.15Å; R1255-A1258 PolarHBondContact O-N 2.66Å; R1255-G1259 PolarHBondContact O-N 2.82Å; R1255-E1260 HydrophobicContact CB-CB 4.49Å; R1255-E1260 IonicContact CZ-OE2 3.64Å; R1255-E1260 IonicContact NE-OE2 2.64Å; R1255-E1260 IonicContact NH2-OE2 3.16Å; R1255-E1260 PolarHBondContact O-N 3.41Å; R1255-L1261 HydrophobicContact CB-CD1 3.92Å; R1255-L1261 HydrophobicContact CB-CD2 4.49Å; R1255-L1261 HydrophobicContact CB-CG 3.85Å |
| 1256 | E | 90.6 | Very high | 89.3 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 171.5 | -173.1 | -173.9 | 177.2 | 0 | 0 | 110.2 | H1252 A1258 G1259 L1261 Q1265 R1345 | H1252-E1256 WeakPolarHBondContact O-CB 3.47Å; H1252-E1256 PolarHBondContact O-N 3.25Å; E1256-A1258 PolarHBondContact O-N 2.84Å; E1256-G1259 PolarHBondContact O-N 2.62Å; E1256-L1261 HydrophobicContact CB-CD1 4.2Å; E1256-Q1265 HydrophobicContact CG-CG 4.4Å; E1256-R1345 IonicContact OE2-NH1 2.81Å; E1256-R1345 PolarHBondContact OE2-NH1 2.95Å |
| 1257 | K | 89.2 | Confident | 89.4 | Confident | 184 Ų | 184 | 58.7 Ų | 58.7 | 80% | 0.8 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.4 | -33.1 | 177.4 | -74.2 | 172.6 | -176.5 | 174.4 | 0 | 113.1 | D1253 G1259 | D1253-K1257 WeakPolarHBondContact O-CB 2.81Å; D1253-K1257 VanDerWaalsContact O-CG 3.26Å; D1253-K1257 WeakPolarHBondContact O-CG 3.12Å; D1253-K1257 PolarHBondContact O-N 3.22Å; K1257-G1259 PolarHBondContact O-N 2.96Å |
| 1258 | A | 87 | Confident | 89.2 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1254 R1255 E1256 E1260 | A1254-A1258 WeakPolarHBondContact O-CB 3.46Å; A1254-A1258 PolarHBondContact O-N 3.19Å; R1255-A1258 PolarHBondContact O-N 2.66Å; E1256-A1258 PolarHBondContact O-N 2.84Å; A1258-E1260 VanDerWaalsContact C-N 3.26Å; A1258-E1260 HydrophobicContact CB-CG 3.93Å; A1258-E1260 PolarHBondContact O-N 2.93Å |
| 1259 | G | 86.4 | Confident | 89.2 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 18.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1255 E1256 K1257 | R1255-G1259 PolarHBondContact O-N 2.82Å; E1256-G1259 PolarHBondContact O-N 2.62Å; K1257-G1259 PolarHBondContact O-N 2.96Å |
| 1260 | E | 85.1 | Confident | 89.3 | Confident | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | trans | -83.8 | -21 | 179.1 | -63.3 | 179.6 | 173.8 | 0 | 0 | 112.7 | R1231 R1255 A1258 | R1231-E1260 IonicContact CZ-OE1 3.24Å; R1231-E1260 IonicContact CZ-OE2 2.69Å; R1231-E1260 IonicContact NH1-OE1 3.75Å; R1231-E1260 PolarHBondContact NH1-OE1 3.34Å; R1231-E1260 IonicContact NH1-OE2 3.06Å; R1231-E1260 PolarHBondContact NH1-OE2 3.35Å; R1231-E1260 IonicContact NH2-OE1 3.65Å; R1231-E1260 PolarHBondContact NH2-OE1 3.31Å; R1231-E1260 IonicContact NH2-OE2 3.77Å; R1255-E1260 HydrophobicContact CB-CB 4.49Å; R1255-E1260 IonicContact CZ-OE2 3.64Å; R1255-E1260 IonicContact NE-OE2 2.64Å; R1255-E1260 IonicContact NH2-OE2 3.16Å; R1255-E1260 PolarHBondContact O-N 3.41Å; A1258-E1260 VanDerWaalsContact C-N 3.26Å; A1258-E1260 HydrophobicContact CB-CG 3.93Å; A1258-E1260 PolarHBondContact O-N 2.93Å | ||
| 1261 | L | 87.3 | Confident | 89.2 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -91.3 | 158.4 | 172.2 | -63.5 | 175.7 | 0 | 0 | 0 | 110.5 | H1252 R1255 E1256 S1348 D1350 | H1252-L1261 WeakPolarHBondContact ND1-CD1 3.42Å; R1255-L1261 HydrophobicContact CB-CD1 3.92Å; R1255-L1261 HydrophobicContact CB-CD2 4.49Å; R1255-L1261 HydrophobicContact CB-CG 3.85Å; E1256-L1261 HydrophobicContact CB-CD1 4.2Å; L1261-S1348 WeakPolarHBondContact CA-O 3.39Å; L1261-D1350 HydrophobicContact CD2-CB 4.49Å |
| 1262 | G | 83.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | trans | -53.8 | 149.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1264 Q1265 S1348 | G1262-E1264 PolarHBondContact O-N 3.1Å; G1262-Q1265 PolarHBondContact O-NE2 3.23Å; G1262-S1348 PolarHBondContact N-O 3.26Å | ||
| 1263 | K | 83.2 | Confident | 88.3 | Confident | 216 Ų | 216 | 59.3 Ų | 59.3 | 94% | 0.939 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -66.2 | -24.2 | 178.4 | -67.6 | -174.8 | 179.1 | -179.2 | 0 | 113.3 | ||
| 1264 | E | 83.7 | Confident | 87.6 | Confident | 137 Ų | 137 | 57.8 Ų | 57.8 | 64% | 0.64 | 31% | 0.314 | S | S | * | . | trans | -88.9 | 119 | 175.9 | -68.4 | -176.5 | -179 | 0 | 0 | 109.3 | G1262 | G1262-E1264 PolarHBondContact O-N 3.1Š| ||
| 1265 | Q | 83.6 | Confident | 86.6 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.8 | 174.9 | -62.8 | -63.3 | -27.5 | 0 | 0 | 108.1 | H1252 E1256 G1262 V1346 | H1252-Q1265 PolarHBondContact CE1-OE1 3.29Å; H1252-Q1265 PolarHBondContact NE2-OE1 3Å; E1256-Q1265 HydrophobicContact CG-CG 4.4Å; G1262-Q1265 PolarHBondContact O-NE2 3.23Å; Q1265-V1346 VanDerWaalsContact OE1-C 3.27Å; Q1265-V1346 PolarHBondContact OE1-O 2.92Å |
| 1266 | V | 88.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.5 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | V1268 R1345 V1346 V1374 G1376 | V1266-V1268 HydrophobicContact CG1-CG2 4.24Å; V1266-V1268 PolarHBondContact O-N 3.33Å; V1266-R1345 WeakPolarHBondContact O-CA 2.85Å; V1266-V1346 PolarHBondContact N-O 3.11Å; V1266-V1346 PolarHBondContact O-N 3.41Å; V1266-V1374 HydrophobicContact CB-CG1 3.67Å; V1266-V1374 HydrophobicContact CG1-CG1 4.44Å; V1266-V1374 HydrophobicContact CG2-CB 4.5Å; V1266-V1374 HydrophobicContact CG2-CG1 3.38Å; V1266-G1376 WeakPolarHBondContact CG1-O 3.26Å |
| 1267 | M | 90.3 | Very high | 84.4 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 116.6 | 169.6 | -67.7 | -62.3 | -61.3 | 0 | 0 | 108.9 | T1343 R1345 | M1267-T1343 WeakPolarHBondContact CE-OG1 3.4Å; M1267-R1345 HydrophobicContact SD-CB 4.49Å; M1267-R1345 HydrophobicContact SD-CG 3.26Å; M1267-R1345 WeakPolarHBondContact SD-CG 3.29Å |
| 1268 | V | 90.9 | Very high | 83 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.5 | -178.6 | 166.2 | 0 | 0 | 0 | 0 | 109.9 | V1266 V1270 T1343 I1344 V1346 V1379 P1392 I1401 | V1266-V1268 HydrophobicContact CG1-CG2 4.24Å; V1266-V1268 PolarHBondContact O-N 3.33Å; V1268-V1270 HydrophobicContact CG1-CG1 4.21Å; V1268-T1343 WeakPolarHBondContact O-CA 3.49Å; V1268-I1344 HydrophobicContact CB-CG1 4.38Å; V1268-I1344 PolarHBondContact N-O 3.15Å; V1268-I1344 PolarHBondContact O-N 3.43Å; V1268-V1346 HydrophobicContact CB-CG2 4.24Å; V1268-V1346 HydrophobicContact CG2-CG2 3.44Å; V1268-V1346 VanDerWaalsContact CG2-CG2 3.44Å; V1268-V1379 HydrophobicContact CG2-CG2 4.02Å; V1268-P1392 HydrophobicContact CB-CG 4.42Å; V1268-P1392 HydrophobicContact CG1-CB 3.81Å; V1268-P1392 HydrophobicContact CG1-CG 3.36Å; V1268-P1392 HydrophobicContact CG2-CG 4.33Å; V1268-I1401 HydrophobicContact CG1-CD1 3.5Å; V1268-I1401 VanDerWaalsContact CG1-CD1 3.5Å |
| 1269 | P | 93.4 | Very high | 81.9 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.3 | 173.7 | 29.5 | -33 | 0 | 0 | 0 | 110.7 | P1392 Q1399 | P1269-P1392 HydrophobicContact CG-CB 4.34Å; P1269-Q1399 HydrophobicContact CG-CG 4.47Å |
| 1270 | V | 93.3 | Very high | 81.5 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.1 | -179.5 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | V1268 D1342 I1344 Q1399 I1401 | V1268-V1270 HydrophobicContact CG1-CG1 4.21Å; V1270-D1342 HydrophobicContact CG2-CB 3.89Å; V1270-D1342 PolarHBondContact N-O 3.35Å; V1270-D1342 PolarHBondContact O-N 3.01Å; V1270-I1344 HydrophobicContact CG1-CD1 3.69Å; V1270-I1344 HydrophobicContact CG1-CG1 3.65Å; V1270-I1344 HydrophobicContact CG1-CG2 4.39Å; V1270-I1344 HydrophobicContact CG2-CG2 4.03Å; V1270-Q1399 CarbonylContact C-O 3.54Å; V1270-Q1399 VanDerWaalsContact CA-O 3.25Å; V1270-Q1399 WeakPolarHBondContact CA-O 3.41Å; V1270-I1401 HydrophobicContact CB-CG1 4.49Å; V1270-I1401 HydrophobicContact CG1-CD1 4.03Å; V1270-I1401 HydrophobicContact CG1-CG1 3.76Å |
| 1271 | L | 92.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125 | 176.2 | -66.5 | 179.3 | 0 | 0 | 0 | 110.7 | L1294 Y1301 Y1339 P1341 Q1399 | L1271-L1294 HydrophobicContact CD2-CD1 3.7Å; L1271-Y1301 HydrophobicContact CD1-CD1 4.14Å; L1271-Y1301 HydrophobicContact CD1-CE1 3.7Å; L1271-Y1339 HydrophobicContact CB-CD1 4.35Å; L1271-Y1339 HydrophobicContact CB-CG 4.39Å; L1271-P1341 HydrophobicContact CD2-CB 4.26Å; L1271-Q1399 HydrophobicContact CB-CB 4.3Å; L1271-Q1399 HydrophobicContact CD1-CB 4.06Å; L1271-Q1399 HydrophobicContact CG-CB 3.71Å; L1271-Q1399 PolarHBondContact N-O 3.22Å |
| 1272 | N | 85.4 | Confident | 81 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.2 | 178.3 | -75.7 | -61.9 | 0 | 0 | 0 | 110.3 | R1245 A1274 Y1339 T1340 D1342 | R1245-N1272 PolarHBondContact NH1-ND2 2.92Å; R1245-N1272 PolarHBondContact NH2-ND2 2.88Å; R1245-N1272 PolarHBondContact NH2-OD1 3.26Å; N1272-A1274 PolarHBondContact O-N 2.92Å; N1272-Y1339 CarbonylContact O-C 3.54Å; N1272-Y1339 WeakPolarHBondContact O-CA 3.45Å; N1272-T1340 PolarHBondContact N-O 3.02Å; N1272-T1340 PolarHBondContact O-N 3.5Å; N1272-D1342 WeakPolarHBondContact ND2-CB 3.22Å; N1272-D1342 PolarHBondContact ND2-OD2 3.34Å |
| 1273 | T | 83.1 | Confident | 80.9 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129.4 | 174.9 | -47 | 0 | 0 | 0 | 0 | 109.6 | Y1339 | T1273-Y1339 HydrophobicContact CG2-CE1 4.43Å |
| 1274 | A | 78.7 | Confident | 80.8 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -63.9 | 139.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | N1272 I1276 L1338 | N1272-A1274 PolarHBondContact O-N 2.92Å; A1274-I1276 VanDerWaalsContact C-N 3.27Å; A1274-I1276 HydrophobicContact CB-CG1 4.36Å; A1274-I1276 HydrophobicContact CB-CG2 4.41Å; A1274-I1276 WeakPolarHBondContact O-CG1 3.37Å; A1274-I1276 PolarHBondContact O-N 3.47Å; A1274-L1338 HydrophobicContact CB-CB 3.87Å; A1274-L1338 WeakPolarHBondContact CB-O 3.4Å; A1274-L1338 PolarHBondContact N-O 3.42Å | ||
| 1275 | N | 70.5 | Confident | 80.6 | Confident | 131 Ų | 131 | 47.1 Ų | 47.1 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | trans | -79.2 | 77.9 | 179 | -68.2 | -38.7 | 0 | 0 | 0 | 109.9 | ||||
| 1276 | I | 69.9 | Low | 80.6 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | trans | -115.1 | 139.8 | -178.4 | 42.9 | 165.1 | 0 | 0 | 0 | 110.4 | A1274 L1281 T1286 L1338 | A1274-I1276 VanDerWaalsContact C-N 3.27Å; A1274-I1276 HydrophobicContact CB-CG1 4.36Å; A1274-I1276 HydrophobicContact CB-CG2 4.41Å; A1274-I1276 WeakPolarHBondContact O-CG1 3.37Å; A1274-I1276 PolarHBondContact O-N 3.47Å; I1276-L1281 HydrophobicContact CD1-CD1 3.55Å; I1276-L1281 HydrophobicContact CD1-CD2 3.59Å; I1276-L1281 HydrophobicContact CD1-CG 3.51Å; I1276-T1286 HydrophobicContact CG2-CG2 3.75Å; I1276-L1338 HydrophobicContact CD1-CB 4.19Å | ||
| 1277 | R | 66.4 | Low | 80.5 | Confident | 114 Ų | 114 | 43.9 Ų | 43.9 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | trans | -83.9 | 162.2 | 176.8 | -61.7 | 176.9 | -177.4 | -152.4 | -5.6 | 111.5 | S884 K885 G1279 E1280 | S884-R1277 PolarHBondContact OG-NH1 3.44Å; K885-R1277 VanDerWaalsContact CE-NH1 3.3Å; R1277-G1279 PolarHBondContact O-N 2.71Å; R1277-E1280 HydrophobicContact CB-CB 4.26Å; R1277-E1280 PolarHBondContact N-OE2 3.29Å; R1277-E1280 VanDerWaalsContact O-CB 3.27Å; R1277-E1280 WeakPolarHBondContact O-CB 3.26Å; R1277-E1280 PolarHBondContact O-N 3.24Å | ||
| 1278 | D | 59.3 | Low | 80.2 | Confident | 123 Ų | 123 | 42.3 Ų | 42.3 | 66% | 0.658 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131 | 171.4 | -67.2 | -27.3 | 0 | 0 | 0 | 110.4 | V881 E1280 | V881-D1278 WeakPolarHBondContact CG2-O 3.46Å; D1278-E1280 PolarHBondContact O-N 2.86Å |
| 1279 | G | 65.8 | Low | 79.8 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -17.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F901 R1277 L1281 R1282 | F901-G1279 WeakPolarHBondContact CE1-O 3.39Å; R1277-G1279 PolarHBondContact O-N 2.71Å; G1279-L1281 VanDerWaalsContact C-N 3.26Å; G1279-L1281 PolarHBondContact O-N 3.18Å; G1279-R1282 VanDerWaalsContact O-CB 3.31Å; G1279-R1282 WeakPolarHBondContact O-CB 3.34Å; G1279-R1282 PolarHBondContact O-N 2.69Å |
| 1280 | E | 76.5 | Confident | 79.4 | Confident | 37 Ų | 37 | 48 Ų | 48 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -68.1 | -27 | -176.3 | -165.2 | 167.4 | -154.2 | 0 | 0 | 112.9 | R1277 D1278 R1282 R1283 T1286 | R1277-E1280 HydrophobicContact CB-CB 4.26Å; R1277-E1280 PolarHBondContact N-OE2 3.29Å; R1277-E1280 VanDerWaalsContact O-CB 3.27Å; R1277-E1280 WeakPolarHBondContact O-CB 3.26Å; R1277-E1280 PolarHBondContact O-N 3.24Å; D1278-E1280 PolarHBondContact O-N 2.86Å; E1280-R1282 PolarHBondContact O-N 3.03Å; E1280-R1283 VanDerWaalsContact CG-NH2 3.34Å; E1280-R1283 WeakPolarHBondContact O-CB 3.4Å; E1280-R1283 PolarHBondContact O-N 3.24Å; E1280-R1283 VanDerWaalsContact O-N 3.14Å; E1280-R1283 IonicContact OE1-CZ 3.62Å; E1280-R1283 IonicContact OE1-NH2 3.89Å; E1280-R1283 PolarHBondContact OE1-NH2 3.47Å; E1280-T1286 HydrophobicContact CG-CG2 4.06Å; E1280-T1286 WeakPolarHBondContact CG-OG1 3.31Å; E1280-T1286 VanDerWaalsContact O-CB 3.3Å; E1280-T1286 WeakPolarHBondContact O-CB 3.39Å; E1280-T1286 PolarHBondContact O-OG1 2.91Å |
| 1281 | L | 80.3 | Confident | 79.1 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63 | -15 | 169.5 | -76.7 | 175.5 | 0 | 0 | 0 | 113.7 | I1276 G1279 R1283 W1287 V1336 L1338 | I1276-L1281 HydrophobicContact CD1-CD1 3.55Å; I1276-L1281 HydrophobicContact CD1-CD2 3.59Å; I1276-L1281 HydrophobicContact CD1-CG 3.51Å; G1279-L1281 VanDerWaalsContact C-N 3.26Å; G1279-L1281 PolarHBondContact O-N 3.18Å; L1281-R1283 PolarHBondContact O-N 2.85Å; L1281-W1287 HydrophobicContact CD2-CZ2 4.38Å; L1281-W1287 PolarHBondContact O-NE1 3.33Å; L1281-V1336 HydrophobicContact CD1-CB 4.38Å; L1281-V1336 WeakPolarHBondContact CD1-O 3.47Å; L1281-L1338 HydrophobicContact CD2-CD1 3.3Å; L1281-L1338 HydrophobicContact CD2-CG 3.71Å |
| 1282 | R | 81.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -81.4 | -5.9 | 175.9 | -54.3 | -140.5 | -162.1 | 151.1 | 3.8 | 113 | E383 L877 F901 G1279 E1280 P1328 | E383-R1282 IonicContact OE1-CZ 2.77Å; E383-R1282 IonicContact OE1-NH1 3.56Å; E383-R1282 PolarHBondContact OE1-NH1 2.87Å; E383-R1282 IonicContact OE1-NH2 2.7Å; E383-R1282 IonicContact OE2-CZ 2.66Å; E383-R1282 IonicContact OE2-NH1 3.82Å; E383-R1282 PolarHBondContact OE2-NH1 3.42Å; E383-R1282 IonicContact OE2-NH2 3.85Å; E383-R1282 PolarHBondContact OE2-NH2 3.13Å; L877-R1282 HydrophobicContact CD1-CB 4.46Å; L877-R1282 HydrophobicContact CD2-CB 4.35Å; L877-R1282 HydrophobicContact CD2-CG 4.27Å; F901-R1282 HydrophobicContact CE1-CB 4.45Å; G1279-R1282 VanDerWaalsContact O-CB 3.31Å; G1279-R1282 WeakPolarHBondContact O-CB 3.34Å; G1279-R1282 PolarHBondContact O-N 2.69Å; E1280-R1282 PolarHBondContact O-N 3.03Å; R1282-P1328 VanDerWaalsContact CA-O 3.3Å; R1282-P1328 WeakPolarHBondContact CA-O 3.13Å; R1282-P1328 WeakPolarHBondContact CB-O 3.38Å |
| 1283 | R | 81 | Confident | 79.1 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -98.3 | 127 | 176.7 | -172.2 | 177.4 | 62 | -153.7 | -4.8 | 110.8 | E897 F901 E1280 L1281 S1285 T1286 | E897-R1283 IonicContact OE1-NH1 3.31Å; F901-R1283 HydrophobicContact CD1-CB 4.06Å; F901-R1283 HydrophobicContact CE1-CB 3.76Å; E1280-R1283 VanDerWaalsContact CG-NH2 3.34Å; E1280-R1283 WeakPolarHBondContact O-CB 3.4Å; E1280-R1283 PolarHBondContact O-N 3.24Å; E1280-R1283 VanDerWaalsContact O-N 3.14Å; E1280-R1283 IonicContact OE1-CZ 3.62Å; E1280-R1283 IonicContact OE1-NH2 3.89Å; E1280-R1283 PolarHBondContact OE1-NH2 3.47Å; L1281-R1283 PolarHBondContact O-N 2.85Å; R1283-S1285 VanDerWaalsContact C-N 3.29Å; R1283-S1285 WeakPolarHBondContact CD-OG 3.34Å; R1283-S1285 WeakPolarHBondContact CG-OG 3.45Å; R1283-S1285 PolarHBondContact NE-OG 3.49Å; R1283-S1285 PolarHBondContact O-N 3.31Å; R1283-T1286 PolarHBondContact NE-OG1 3.15Å; R1283-T1286 PolarHBondContact NH2-OG1 3.44Å; R1283-T1286 VanDerWaalsContact O-CB 3.3Å; R1283-T1286 WeakPolarHBondContact O-CB 3.45Å; R1283-T1286 PolarHBondContact O-N 2.97Å; R1283-T1286 VanDerWaalsContact O-N 3.13Å; R1283-T1286 PolarHBondContact O-OG1 3.17Å |
| 1284 | L | 81.7 | Confident | 79.5 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55 | -41.1 | 177.7 | -87.7 | 146 | 0 | 0 | 0 | 113.4 | T1286 W1287 E1288 I1307 I1314 P1328 | L1284-T1286 PolarHBondContact O-N 3.06Å; L1284-T1286 VanDerWaalsContact O-N 3.15Å; L1284-W1287 WeakPolarHBondContact O-CA 3.44Å; L1284-W1287 WeakPolarHBondContact O-CB 3.3Å; L1284-W1287 PolarHBondContact O-N 3.41Å; L1284-E1288 PolarHBondContact O-N 2.96Å; L1284-I1307 HydrophobicContact CD2-CG2 3.89Å; L1284-I1314 HydrophobicContact CD2-CG1 4.4Å; L1284-P1328 HydrophobicContact CD2-CG 4.34Å; L1284-P1328 HydrophobicContact CG-CG 4.32Å |
| 1285 | S | 79.7 | Confident | 80 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -24.5 | -178.2 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | R1283 W1287 E1288 T1289 | R1283-S1285 VanDerWaalsContact C-N 3.29Å; R1283-S1285 WeakPolarHBondContact CD-OG 3.34Å; R1283-S1285 WeakPolarHBondContact CG-OG 3.45Å; R1283-S1285 PolarHBondContact NE-OG 3.49Å; R1283-S1285 PolarHBondContact O-N 3.31Å; S1285-W1287 VanDerWaalsContact C-N 3.33Å; S1285-E1288 WeakPolarHBondContact CA-OE2 3.45Å; S1285-E1288 PolarHBondContact O-N 3.39Å; S1285-T1289 PolarHBondContact O-N 3.04Å; S1285-T1289 PolarHBondContact O-OG1 3.46Å |
| 1286 | T | 83.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 173.1 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | I1276 E1280 R1283 L1284 T1289 H1290 | I1276-T1286 HydrophobicContact CG2-CG2 3.75Å; E1280-T1286 HydrophobicContact CG-CG2 4.06Å; E1280-T1286 WeakPolarHBondContact CG-OG1 3.31Å; E1280-T1286 VanDerWaalsContact O-CB 3.3Å; E1280-T1286 WeakPolarHBondContact O-CB 3.39Å; E1280-T1286 PolarHBondContact O-OG1 2.91Å; R1283-T1286 PolarHBondContact NE-OG1 3.15Å; R1283-T1286 PolarHBondContact NH2-OG1 3.44Å; R1283-T1286 VanDerWaalsContact O-CB 3.3Å; R1283-T1286 WeakPolarHBondContact O-CB 3.45Å; R1283-T1286 PolarHBondContact O-N 2.97Å; R1283-T1286 VanDerWaalsContact O-N 3.13Å; R1283-T1286 PolarHBondContact O-OG1 3.17Å; L1284-T1286 PolarHBondContact O-N 3.06Å; L1284-T1286 VanDerWaalsContact O-N 3.15Å; T1286-T1289 PolarHBondContact O-N 3.27Å; T1286-H1290 PolarHBondContact O-CD2 3.23Å; T1286-H1290 PolarHBondContact O-N 3.3Å |
| 1287 | W | 86.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 176.7 | -64.7 | 86.2 | 0 | 0 | 0 | 112.7 | L1281 L1284 S1285 T1289 H1290 R1291 A1295 I1304 I1307 I1314 L1316 V1336 L1338 | L1281-W1287 HydrophobicContact CD2-CZ2 4.38Å; L1281-W1287 PolarHBondContact O-NE1 3.33Å; L1284-W1287 WeakPolarHBondContact O-CA 3.44Å; L1284-W1287 WeakPolarHBondContact O-CB 3.3Å; L1284-W1287 PolarHBondContact O-N 3.41Å; S1285-W1287 VanDerWaalsContact C-N 3.33Å; W1287-T1289 VanDerWaalsContact C-N 3.28Å; W1287-T1289 PolarHBondContact O-N 3.03Å; W1287-H1290 CarbonylContact O-C 3.54Å; W1287-H1290 VanDerWaalsContact O-C 3.24Å; W1287-H1290 PolarHBondContact O-N 3.27Å; W1287-H1290 VanDerWaalsContact O-N 3.09Å; W1287-R1291 PolarHBondContact O-N 3.3Å; W1287-R1291 VanDerWaalsContact O-N 3.12Å; W1287-A1295 HydrophobicContact CH2-CB 4.34Å; W1287-A1295 HydrophobicContact CZ3-CB 4.1Å; W1287-I1304 HydrophobicContact CE3-CD1 3.74Å; W1287-I1304 HydrophobicContact CE3-CG1 4.12Å; W1287-I1304 HydrophobicContact CZ3-CD1 4.16Å; W1287-I1304 HydrophobicContact CZ3-CG1 4.17Å; W1287-I1307 HydrophobicContact CB-CD1 3.98Å; W1287-I1307 WeakPolarHBondContact O-CD1 3.41Å; W1287-I1314 HydrophobicContact CB-CD1 3.52Å; W1287-I1314 VanDerWaalsContact CD1-CD1 3.49Å; W1287-I1314 HydrophobicContact CD2-CD1 3.05Å; W1287-I1314 HydrophobicContact CD2-CG1 4.5Å; W1287-I1314 VanDerWaalsContact CE2-CD1 3.41Å; W1287-I1314 HydrophobicContact CE3-CD1 3.46Å; W1287-I1314 VanDerWaalsContact CE3-CD1 3.46Å; W1287-I1314 HydrophobicContact CE3-CG2 4.07Å; W1287-I1314 HydrophobicContact CG-CD1 3.09Å; W1287-I1314 HydrophobicContact CH2-CD1 4.33Å; W1287-I1314 HydrophobicContact CZ2-CD1 4.06Å; W1287-I1314 HydrophobicContact CZ3-CD1 4.09Å; W1287-I1314 HydrophobicContact CZ3-CG2 4.13Å; W1287-L1316 HydrophobicContact CZ3-CD2 4.08Å; W1287-V1336 HydrophobicContact CH2-CG1 3.65Å; W1287-V1336 HydrophobicContact CZ2-CG1 3.99Å; W1287-L1338 HydrophobicContact CE3-CD1 4.49Å; W1287-L1338 HydrophobicContact CE3-CD2 4.06Å; W1287-L1338 HydrophobicContact CZ3-CD2 3.9Å |
| 1288 | E | 84.1 | Confident | 81.7 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 173.3 | -66.8 | 176.8 | 149.9 | 0 | 0 | 111.6 | L1284 S1285 H1290 I1307 | L1284-E1288 PolarHBondContact O-N 2.96Å; S1285-E1288 WeakPolarHBondContact CA-OE2 3.45Å; S1285-E1288 PolarHBondContact O-N 3.39Å; E1288-H1290 PolarHBondContact O-N 3.34Å; E1288-I1307 HydrophobicContact CG-CD1 4.33Å; E1288-I1307 HydrophobicContact CG-CG2 4.34Å |
| 1289 | T | 81.9 | Confident | 82.5 | Confident | 109 Ų | 109 | 50.2 Ų | 50.2 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.9 | -21.4 | 177.4 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | S1285 T1286 W1287 | S1285-T1289 PolarHBondContact O-N 3.04Å; S1285-T1289 PolarHBondContact O-OG1 3.46Å; T1286-T1289 PolarHBondContact O-N 3.27Å; W1287-T1289 VanDerWaalsContact C-N 3.28Å; W1287-T1289 PolarHBondContact O-N 3.03Å |
| 1290 | H | 85.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 35 | -175.2 | -65.7 | -59.5 | 0 | 0 | 0 | 112.9 | T1286 W1287 E1288 D1292 A1293 I1304 L1338 | T1286-H1290 PolarHBondContact O-CD2 3.23Å; T1286-H1290 PolarHBondContact O-N 3.3Å; W1287-H1290 CarbonylContact O-C 3.54Å; W1287-H1290 VanDerWaalsContact O-C 3.24Å; W1287-H1290 PolarHBondContact O-N 3.27Å; W1287-H1290 VanDerWaalsContact O-N 3.09Å; E1288-H1290 PolarHBondContact O-N 3.34Å; H1290-D1292 PolarHBondContact O-N 3.04Å; H1290-D1292 VanDerWaalsContact O-N 3.14Å; H1290-A1293 HydrophobicContact CB-CB 4.02Å; H1290-A1293 WeakPolarHBondContact O-CB 3.47Å; H1290-A1293 PolarHBondContact O-N 3.23Å; H1290-I1304 VanDerWaalsContact O-CD1 3.27Å; H1290-I1304 WeakPolarHBondContact O-CD1 3.21Å; H1290-L1338 HydrophobicContact CB-CD1 4.13Å |
| 1291 | R | 87.3 | Confident | 83.9 | Confident | 139 Ų | 139 | 51 Ų | 51 | 53% | 0.525 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.6 | -179.3 | -90 | -175.8 | 178.2 | -162.9 | 0.7 | 114.8 | W1287 A1293 I1307 | W1287-R1291 PolarHBondContact O-N 3.3Å; W1287-R1291 VanDerWaalsContact O-N 3.12Å; R1291-A1293 VanDerWaalsContact C-N 3.3Å; R1291-I1307 HydrophobicContact CG-CD1 3.68Å |
| 1292 | D | 87.9 | Confident | 84.5 | Confident | 140 Ų | 140 | 50 Ų | 50 | 75% | 0.749 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.6 | -179.5 | -58.5 | -45 | 0 | 0 | 0 | 113.3 | H1290 P1341 | H1290-D1292 PolarHBondContact O-N 3.04Å; H1290-D1292 VanDerWaalsContact O-N 3.14Å; D1292-P1341 WeakPolarHBondContact O-CD 3.33Å |
| 1293 | A | 89.1 | Confident | 85 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 154.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1290 R1291 L1338 Y1339 | H1290-A1293 HydrophobicContact CB-CB 4.02Å; H1290-A1293 WeakPolarHBondContact O-CB 3.47Å; H1290-A1293 PolarHBondContact O-N 3.23Å; R1291-A1293 VanDerWaalsContact C-N 3.3Å; A1293-L1338 HydrophobicContact CB-CB 4.44Å; A1293-L1338 HydrophobicContact CB-CD2 3.98Å; A1293-Y1339 CarbonylContact C-O 3.59Å; A1293-Y1339 VanDerWaalsContact CA-O 3.23Å; A1293-Y1339 WeakPolarHBondContact CA-O 3.38Å; A1293-Y1339 VanDerWaalsContact CB-O 3.32Å; A1293-Y1339 WeakPolarHBondContact CB-O 3.44Å |
| 1294 | L | 91.5 | Very high | 85.5 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128 | 169.1 | -67.3 | 169.7 | 0 | 0 | 0 | 109.5 | L1271 H1302 R1303 Y1339 | L1271-L1294 HydrophobicContact CD2-CD1 3.7Å; L1294-H1302 CarbonylContact C-O 3.58Å; L1294-H1302 VanDerWaalsContact CA-O 3.25Å; L1294-H1302 WeakPolarHBondContact CA-O 3.25Å; L1294-R1303 HydrophobicContact CD2-CB 4.15Å; L1294-Y1339 PolarHBondContact N-O 3.44Å; L1294-Y1339 PolarHBondContact O-N 2.97Å |
| 1295 | A | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | W1287 V1297 H1302 L1316 V1336 T1337 L1338 | W1287-A1295 HydrophobicContact CH2-CB 4.34Å; W1287-A1295 HydrophobicContact CZ3-CB 4.1Å; A1295-V1297 HydrophobicContact CB-CG2 4.37Å; A1295-H1302 PolarHBondContact N-O 3.31Å; A1295-H1302 PolarHBondContact O-N 3.24Å; A1295-L1316 HydrophobicContact CB-CD1 3.94Å; A1295-L1316 HydrophobicContact CB-CD2 3.96Å; A1295-V1336 HydrophobicContact CB-CG1 4.28Å; A1295-T1337 CarbonylContact C-O 3.52Å; A1295-T1337 WeakPolarHBondContact CA-O 3.39Å; A1295-L1338 HydrophobicContact CB-CD2 4.14Å |
| 1296 | L | 88.4 | Confident | 86.4 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.9 | 169.4 | -178.9 | 68 | 0 | 0 | 0 | 108.8 | Y1301 T1337 Y1339 | L1296-Y1301 HydrophobicContact CB-CD1 4.32Å; L1296-Y1301 HydrophobicContact CB-CE1 4.26Å; L1296-Y1301 HydrophobicContact CD1-CD1 3.91Å; L1296-Y1301 HydrophobicContact CD1-CD2 4.25Å; L1296-Y1301 HydrophobicContact CD1-CE1 3.75Å; L1296-Y1301 HydrophobicContact CD1-CE2 4.1Å; L1296-Y1301 HydrophobicContact CD1-CG 4.13Å; L1296-Y1301 HydrophobicContact CD2-CE1 4.44Å; L1296-Y1301 HydrophobicContact CG-CE1 4.38Å; L1296-T1337 PolarHBondContact N-O 3.32Å; L1296-T1337 PolarHBondContact O-N 2.87Å; L1296-Y1339 HydrophobicContact CB-CD2 4.15Å; L1296-Y1339 HydrophobicContact CB-CE2 3.74Å; L1296-Y1339 HydrophobicContact CD2-CE2 3.92Å; L1296-Y1339 HydrophobicContact CG-CE2 4.47Å |
| 1297 | V | 81.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.7 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 107.8 | A1295 N1299 V1300 L1316 R1324 I1326 E1334 V1336 | A1295-V1297 HydrophobicContact CB-CG2 4.37Å; V1297-N1299 VanDerWaalsContact C-N 3.26Å; V1297-N1299 PolarHBondContact O-N 2.9Å; V1297-V1300 PolarHBondContact N-O 3.49Å; V1297-V1300 PolarHBondContact O-N 3.37Å; V1297-L1316 HydrophobicContact CG2-CD1 3.79Å; V1297-R1324 VanDerWaalsContact CG1-NH1 3.29Å; V1297-I1326 HydrophobicContact CG1-CD1 4.48Å; V1297-I1326 HydrophobicContact CG2-CD1 4.06Å; V1297-E1334 HydrophobicContact CG1-CB 4.45Å; V1297-V1336 HydrophobicContact CG2-CG1 4.25Å; V1297-V1336 HydrophobicContact CG2-CG2 4.05Å |
| 1298 | D | 73.1 | Confident | 86.5 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.4 | -179.2 | -58.2 | -44.5 | 0 | 0 | 0 | 113.9 | V1300 R1324 | D1298-V1300 PolarHBondContact O-N 3.31Å; D1298-R1324 IonicContact OD2-CZ 3.86Å; D1298-R1324 IonicContact OD2-NH1 3.98Å; D1298-R1324 PolarHBondContact OD2-NH1 3.19Å; D1298-R1324 IonicContact OD2-NH2 3.91Å; D1298-R1324 PolarHBondContact OD2-NH2 3.32Å |
| 1299 | N | 74.1 | Confident | 86.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 10.9 | -175.6 | -64.7 | -39 | 0 | 0 | 0 | 116.4 | V1297 | V1297-N1299 VanDerWaalsContact C-N 3.26Å; V1297-N1299 PolarHBondContact O-N 2.9Å |
| 1300 | V | 82.2 | Confident | 85.8 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 39% | 0.394 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.8 | 173.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | V1297 D1298 H1302 D1318 | V1297-V1300 PolarHBondContact N-O 3.49Å; V1297-V1300 PolarHBondContact O-N 3.37Å; D1298-V1300 PolarHBondContact O-N 3.31Å; V1300-H1302 PolarHBondContact O-CE1 3.01Å; V1300-H1302 PolarHBondContact O-ND1 3.28Å; V1300-D1318 HydrophobicContact CG1-CB 3.83Å |
| 1301 | Y | 90.6 | Very high | 85.3 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.4 | 175.3 | -64.2 | -83 | 0 | 0 | 0 | 109.7 | L1271 L1296 Y1339 Q1396 A1397 H1400 | L1271-Y1301 HydrophobicContact CD1-CD1 4.14Å; L1271-Y1301 HydrophobicContact CD1-CE1 3.7Å; L1296-Y1301 HydrophobicContact CB-CD1 4.32Å; L1296-Y1301 HydrophobicContact CB-CE1 4.26Å; L1296-Y1301 HydrophobicContact CD1-CD1 3.91Å; L1296-Y1301 HydrophobicContact CD1-CD2 4.25Å; L1296-Y1301 HydrophobicContact CD1-CE1 3.75Å; L1296-Y1301 HydrophobicContact CD1-CE2 4.1Å; L1296-Y1301 HydrophobicContact CD1-CG 4.13Å; L1296-Y1301 HydrophobicContact CD2-CE1 4.44Å; L1296-Y1301 HydrophobicContact CG-CE1 4.38Å; Y1301-Y1339 HydrophobicContact CE1-CD2 4.2Å; Y1301-Y1339 HydrophobicContact CE1-CE2 4.34Å; Y1301-Q1396 VanDerWaalsContact CB-OE1 3.23Å; Y1301-Q1396 HydrophobicContact CD2-CB 3.64Å; Y1301-Q1396 HydrophobicContact CE2-CB 3.92Å; Y1301-Q1396 HydrophobicContact CG-CB 4.11Å; Y1301-A1397 HydrophobicContact CE2-CB 4.32Å; Y1301-H1400 AromaticContact CE1-NE2 3.78Å; Y1301-H1400 AromaticContact CZ-NE2 3.6Å; Y1301-H1400 PolarHBondContact OH-CD2 2.89Å; Y1301-H1400 PolarHBondContact OH-NE2 3.11Å |
| 1302 | H | 91.8 | Very high | 85 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.8 | 177.5 | -56.6 | 74.1 | 0 | 0 | 0 | 110.2 | L1294 A1295 V1300 L1316 E1317 | L1294-H1302 CarbonylContact C-O 3.58Å; L1294-H1302 VanDerWaalsContact CA-O 3.25Å; L1294-H1302 WeakPolarHBondContact CA-O 3.25Å; A1295-H1302 PolarHBondContact N-O 3.31Å; A1295-H1302 PolarHBondContact O-N 3.24Å; V1300-H1302 PolarHBondContact O-CE1 3.01Å; V1300-H1302 PolarHBondContact O-ND1 3.28Å; H1302-L1316 HydrophobicContact CB-CB 3.76Å; H1302-L1316 HydrophobicContact CB-CD1 4.15Å; H1302-L1316 HydrophobicContact CB-CD2 4.47Å; H1302-L1316 HydrophobicContact CB-CG 4.36Å; H1302-E1317 CarbonylContact C-O 3.46Å; H1302-E1317 WeakPolarHBondContact CA-O 3.07Å |
| 1303 | R | 93.1 | Very high | 84.8 | Confident | 167 Ų | 167 | 45.7 Ų | 45.7 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 145.5 | 165.2 | -177.3 | -179 | 177.5 | -174.8 | 1.4 | 109.8 | L1294 A1305 L1316 E1317 | L1294-R1303 HydrophobicContact CD2-CB 4.15Å; R1303-A1305 PolarHBondContact O-N 3.36Å; R1303-L1316 CarbonylContact O-C 3.54Å; R1303-L1316 WeakPolarHBondContact O-CA 3.26Å; R1303-E1317 PolarHBondContact N-O 3.01Å; R1303-E1317 PolarHBondContact O-N 3.09Å |
| 1304 | I | 92.4 | Very high | 84.8 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 105.9 | 169.2 | -58.7 | 161.7 | 0 | 0 | 0 | 108.2 | W1287 H1290 I1307 I1314 L1316 L1338 | W1287-I1304 HydrophobicContact CE3-CD1 3.74Å; W1287-I1304 HydrophobicContact CE3-CG1 4.12Å; W1287-I1304 HydrophobicContact CZ3-CD1 4.16Å; W1287-I1304 HydrophobicContact CZ3-CG1 4.17Å; H1290-I1304 VanDerWaalsContact O-CD1 3.27Å; H1290-I1304 WeakPolarHBondContact O-CD1 3.21Å; I1304-I1307 HydrophobicContact CG2-CD1 4.12Å; I1304-I1307 HydrophobicContact CG2-CG1 3.81Å; I1304-I1314 HydrophobicContact CG2-CG2 4.06Å; I1304-L1316 HydrophobicContact CG1-CD2 3.9Å; I1304-L1338 HydrophobicContact CD1-CD2 4.19Å |
| 1305 | A | 90.6 | Very high | 84.7 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -30.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1303 T1315 E1317 | R1303-A1305 PolarHBondContact O-N 3.36Å; A1305-T1315 HydrophobicContact CB-CG2 4.25Å; A1305-T1315 PolarHBondContact N-O 3.46Å; A1305-E1317 HydrophobicContact CB-CB 4.06Å |
| 1306 | G | 88.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 152.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1315 | G1306-T1315 PolarHBondContact N-O 3.19Å; G1306-T1315 PolarHBondContact O-N 2.84Å |
| 1307 | I | 88.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.5 | 174.7 | -56.9 | 176.6 | 0 | 0 | 0 | 107 | L1284 W1287 E1288 R1291 I1304 | L1284-I1307 HydrophobicContact CD2-CG2 3.89Å; W1287-I1307 HydrophobicContact CB-CD1 3.98Å; W1287-I1307 WeakPolarHBondContact O-CD1 3.41Å; E1288-I1307 HydrophobicContact CG-CD1 4.33Å; E1288-I1307 HydrophobicContact CG-CG2 4.34Å; R1291-I1307 HydrophobicContact CG-CD1 3.68Å; I1304-I1307 HydrophobicContact CG2-CD1 4.12Å; I1304-I1307 HydrophobicContact CG2-CG1 3.81Å |
| 1308 | S | 84.6 | Confident | 85.1 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.3 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | D1311 G1312 L1313 | S1308-D1311 WeakPolarHBondContact CB-OD2 3.48Å; S1308-D1311 WeakPolarHBondContact OG-CB 3.48Å; S1308-D1311 VanDerWaalsContact OG-CG 3.29Å; S1308-D1311 PolarHBondContact OG-N 3.37Å; S1308-D1311 PolarHBondContact OG-OD2 3.02Å; S1308-G1312 WeakPolarHBondContact O-CA 3.36Å; S1308-G1312 PolarHBondContact O-N 3.39Å; S1308-G1312 VanDerWaalsContact O-N 3.11Å; S1308-L1313 PolarHBondContact N-O 2.99Å; S1308-L1313 PolarHBondContact O-N 2.87Å; S1308-L1313 VanDerWaalsContact O-N 3.07Å |
| 1309 | K | 77.9 | Confident | 85.5 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -48.7 | -178.9 | -175.1 | 178.8 | 172.1 | -168.1 | 0 | 110.8 | D1311 G1312 | K1309-D1311 VanDerWaalsContact C-N 3.33Å; K1309-D1311 PolarHBondContact O-N 3.07Å; K1309-G1312 PolarHBondContact O-N 2.98Å; K1309-G1312 VanDerWaalsContact O-N 3.16Å |
| 1310 | D | 73.1 | Confident | 85.5 | Confident | 122 Ų | 122 | 51.2 Ų | 51.2 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -37.7 | -177.4 | -54.8 | -20.3 | 0 | 0 | 0 | 111.6 | ||
| 1311 | D | 76 | Confident | 85.2 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.9 | 178.1 | -58.2 | -55.3 | 0 | 0 | 0 | 113.5 | I361 R365 S1308 K1309 L1313 | I361-D1311 HydrophobicContact CB-CB 4.28Å; I361-D1311 HydrophobicContact CD1-CB 3.71Å; I361-D1311 HydrophobicContact CG2-CB 4.06Å; R365-D1311 PolarHBondContact NH2-O 2.86Å; S1308-D1311 WeakPolarHBondContact CB-OD2 3.48Å; S1308-D1311 WeakPolarHBondContact OG-CB 3.48Å; S1308-D1311 VanDerWaalsContact OG-CG 3.29Å; S1308-D1311 PolarHBondContact OG-N 3.37Å; S1308-D1311 PolarHBondContact OG-OD2 3.02Å; K1309-D1311 VanDerWaalsContact C-N 3.33Å; K1309-D1311 PolarHBondContact O-N 3.07Å; D1311-L1313 HydrophobicContact CB-CB 4.45Å; D1311-L1313 HydrophobicContact CB-CD1 4.41Å; D1311-L1313 HydrophobicContact CB-CG 4.38Å; D1311-L1313 PolarHBondContact O-N 3.5Å |
| 1312 | G | 80 | Confident | 84.5 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 43.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R365 S1308 K1309 P1328 | R365-G1312 PolarHBondContact NH2-O 2.84Å; S1308-G1312 WeakPolarHBondContact O-CA 3.36Å; S1308-G1312 PolarHBondContact O-N 3.39Å; S1308-G1312 VanDerWaalsContact O-N 3.11Å; K1309-G1312 PolarHBondContact O-N 2.98Å; K1309-G1312 VanDerWaalsContact O-N 3.16Å; G1312-P1328 WeakPolarHBondContact O-CD 3.38Å |
| 1313 | L | 84.1 | Confident | 84 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.7 | -175.6 | -75.2 | 179.9 | 0 | 0 | 0 | 113.3 | L347 I361 S1308 D1311 L1325 | L347-L1313 HydrophobicContact CD2-CD1 4.47Å; L347-L1313 HydrophobicContact CD2-CD2 3.76Å; I361-L1313 HydrophobicContact CB-CD1 4.41Å; I361-L1313 HydrophobicContact CD1-CD1 3.7Å; I361-L1313 HydrophobicContact CG1-CD1 3.86Å; I361-L1313 HydrophobicContact CG2-CD1 3.69Å; I361-L1313 HydrophobicContact CG2-CG 4.33Å; S1308-L1313 PolarHBondContact N-O 2.99Å; S1308-L1313 PolarHBondContact O-N 2.87Å; S1308-L1313 VanDerWaalsContact O-N 3.07Å; D1311-L1313 HydrophobicContact CB-CB 4.45Å; D1311-L1313 HydrophobicContact CB-CD1 4.41Å; D1311-L1313 HydrophobicContact CB-CG 4.38Å; D1311-L1313 PolarHBondContact O-N 3.5Å; L1313-L1325 HydrophobicContact CD1-CD2 3.84Å |
| 1314 | I | 89.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.2 | 176.8 | -54.1 | -173.6 | 0 | 0 | 0 | 108.7 | L1284 W1287 I1304 L1316 L1325 I1326 P1328 | L1284-I1314 HydrophobicContact CD2-CG1 4.4Å; W1287-I1314 HydrophobicContact CB-CD1 3.52Å; W1287-I1314 VanDerWaalsContact CD1-CD1 3.49Å; W1287-I1314 HydrophobicContact CD2-CD1 3.05Å; W1287-I1314 HydrophobicContact CD2-CG1 4.5Å; W1287-I1314 VanDerWaalsContact CE2-CD1 3.41Å; W1287-I1314 HydrophobicContact CE3-CD1 3.46Å; W1287-I1314 VanDerWaalsContact CE3-CD1 3.46Å; W1287-I1314 HydrophobicContact CE3-CG2 4.07Å; W1287-I1314 HydrophobicContact CG-CD1 3.09Å; W1287-I1314 HydrophobicContact CH2-CD1 4.33Å; W1287-I1314 HydrophobicContact CZ2-CD1 4.06Å; W1287-I1314 HydrophobicContact CZ3-CD1 4.09Å; W1287-I1314 HydrophobicContact CZ3-CG2 4.13Å; I1304-I1314 HydrophobicContact CG2-CG2 4.06Å; I1314-L1316 HydrophobicContact CG2-CD2 3.89Å; I1314-L1316 HydrophobicContact CG2-CG 4.42Å; I1314-L1325 CarbonylContact O-C 3.28Å; I1314-L1325 WeakPolarHBondContact O-CA 3.05Å; I1314-I1326 PolarHBondContact N-O 2.93Å; I1314-I1326 PolarHBondContact O-N 2.92Å; I1314-P1328 HydrophobicContact CD1-CG 3.41Å; I1314-P1328 VanDerWaalsContact CD1-CG 3.41Å; I1314-P1328 HydrophobicContact CG1-CG 3.77Å |
| 1315 | T | 89.1 | Confident | 83.1 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.1 | 173.3 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | A1305 G1306 T1323 | A1305-T1315 HydrophobicContact CB-CG2 4.25Å; A1305-T1315 PolarHBondContact N-O 3.46Å; G1306-T1315 PolarHBondContact N-O 3.19Å; G1306-T1315 PolarHBondContact O-N 2.84Å; T1315-T1323 HydrophobicContact CG2-CG2 4.23Å |
| 1316 | L | 90.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 146.5 | 172.2 | -64.4 | -169.8 | 0 | 0 | 0 | 110 | W1287 A1295 V1297 H1302 R1303 I1304 I1314 T1323 R1324 I1326 | W1287-L1316 HydrophobicContact CZ3-CD2 4.08Å; A1295-L1316 HydrophobicContact CB-CD1 3.94Å; A1295-L1316 HydrophobicContact CB-CD2 3.96Å; V1297-L1316 HydrophobicContact CG2-CD1 3.79Å; H1302-L1316 HydrophobicContact CB-CB 3.76Å; H1302-L1316 HydrophobicContact CB-CD1 4.15Å; H1302-L1316 HydrophobicContact CB-CD2 4.47Å; H1302-L1316 HydrophobicContact CB-CG 4.36Å; R1303-L1316 CarbonylContact O-C 3.54Å; R1303-L1316 WeakPolarHBondContact O-CA 3.26Å; I1304-L1316 HydrophobicContact CG1-CD2 3.9Å; I1314-L1316 HydrophobicContact CG2-CD2 3.89Å; I1314-L1316 HydrophobicContact CG2-CG 4.42Å; L1316-T1323 CarbonylContact O-C 3.6Å; L1316-T1323 WeakPolarHBondContact O-CA 3.49Å; L1316-R1324 HydrophobicContact CB-CB 4.43Å; L1316-R1324 WeakPolarHBondContact CB-O 3.16Å; L1316-R1324 PolarHBondContact N-O 3.47Å; L1316-R1324 PolarHBondContact O-N 3.42Å; L1316-I1326 HydrophobicContact CD1-CD1 3.37Å; L1316-I1326 HydrophobicContact CD1-CG1 4.03Å; L1316-I1326 HydrophobicContact CG-CD1 4.28Å; L1316-I1326 HydrophobicContact CG-CG1 4.48Å |
| 1317 | E | 90.1 | Very high | 82.6 | Confident | 82 Ų | 82 | 45.7 Ų | 45.7 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.2 | 178 | -173.6 | -178.9 | 159.4 | 0 | 0 | 109.8 | H1302 R1303 A1305 N1322 T1323 | H1302-E1317 CarbonylContact C-O 3.46Å; H1302-E1317 WeakPolarHBondContact CA-O 3.07Å; R1303-E1317 PolarHBondContact N-O 3.01Å; R1303-E1317 PolarHBondContact O-N 3.09Å; A1305-E1317 HydrophobicContact CB-CB 4.06Å; E1317-N1322 WeakPolarHBondContact CA-O 3.42Å; E1317-T1323 HydrophobicContact CB-CG2 4.4Å; E1317-T1323 HydrophobicContact CG-CG2 4.34Å |
| 1318 | D | 87.5 | Confident | 82.3 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 177.6 | 175.7 | 73.1 | 12.8 | 0 | 0 | 0 | 112.6 | V1300 E1320 G1321 N1322 | V1300-D1318 HydrophobicContact CG1-CB 3.83Å; D1318-E1320 PolarHBondContact O-N 3.02Å; D1318-E1320 WeakPolarHBondContact OD1-CA 3.19Å; D1318-E1320 WeakPolarHBondContact OD1-CB 3.37Å; D1318-E1320 PolarHBondContact OD1-N 3.17Å; D1318-G1321 PolarHBondContact O-N 3.09Å; D1318-G1321 VanDerWaalsContact O-N 3.08Å; D1318-G1321 PolarHBondContact OD1-N 3.49Å; D1318-N1322 PolarHBondContact N-O 2.9Å; D1318-N1322 WeakPolarHBondContact OD1-CB 3.39Å; D1318-N1322 PolarHBondContact OD1-N 3.24Å; D1318-N1322 PolarHBondContact OD1-ND2 2.76Å; D1318-N1322 VanDerWaalsContact OD2-CB 3.3Å; D1318-N1322 WeakPolarHBondContact OD2-CB 3.25Å; D1318-N1322 PolarHBondContact OD2-ND2 2.98Å |
| 1319 | A | 81.2 | Confident | 81.9 | Confident | 96 Ų | 96 | 45 Ų | 45 | 79% | 0.793 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1321 | A1319-G1321 VanDerWaalsContact C-N 3.34Š|
| 1320 | E | 75.8 | Confident | 81.8 | Confident | 134 Ų | 134 | 40.9 Ų | 40.9 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -4 | 176.6 | -60.9 | 178.9 | -173.6 | 0 | 0 | 112 | R713 D1318 N1322 | R713-E1320 IonicContact NH1-OE2 3.74Å; D1318-E1320 PolarHBondContact O-N 3.02Å; D1318-E1320 WeakPolarHBondContact OD1-CA 3.19Å; D1318-E1320 WeakPolarHBondContact OD1-CB 3.37Å; D1318-E1320 PolarHBondContact OD1-N 3.17Å; E1320-N1322 PolarHBondContact OE2-ND2 2.91Å |
| 1321 | G | 75.2 | Confident | 81.7 | Confident | 27 Ų | 27 | 35.8 Ų | 35.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | 80.2 | 15.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1318 A1319 | D1318-G1321 PolarHBondContact O-N 3.09Å; D1318-G1321 VanDerWaalsContact O-N 3.08Å; D1318-G1321 PolarHBondContact OD1-N 3.49Å; A1319-G1321 VanDerWaalsContact C-N 3.34Å | ||
| 1322 | N | 76.8 | Confident | 81 | Confident | 55 Ų | 55 | 35.9 Ų | 35.9 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | trans | -76.9 | 125.9 | 172 | -52.3 | -56 | 0 | 0 | 0 | 109.2 | E1317 D1318 E1320 | E1317-N1322 WeakPolarHBondContact CA-O 3.42Å; D1318-N1322 PolarHBondContact N-O 2.9Å; D1318-N1322 WeakPolarHBondContact OD1-CB 3.39Å; D1318-N1322 PolarHBondContact OD1-N 3.24Å; D1318-N1322 PolarHBondContact OD1-ND2 2.76Å; D1318-N1322 VanDerWaalsContact OD2-CB 3.3Å; D1318-N1322 WeakPolarHBondContact OD2-CB 3.25Å; D1318-N1322 PolarHBondContact OD2-ND2 2.98Å; E1320-N1322 PolarHBondContact OE2-ND2 2.91Å | ||
| 1323 | T | 81.2 | Confident | 79.7 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.7 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | T1315 L1316 E1317 | T1315-T1323 HydrophobicContact CG2-CG2 4.23Å; L1316-T1323 CarbonylContact O-C 3.6Å; L1316-T1323 WeakPolarHBondContact O-CA 3.49Å; E1317-T1323 HydrophobicContact CB-CG2 4.4Å; E1317-T1323 HydrophobicContact CG-CG2 4.34Å |
| 1324 | R | 81.6 | Confident | 78.7 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.6 | 172.3 | 179.4 | 175.7 | 179.5 | 165.5 | -1 | 108.5 | V1297 D1298 L1316 I1326 E1334 | V1297-R1324 VanDerWaalsContact CG1-NH1 3.29Å; D1298-R1324 IonicContact OD2-CZ 3.86Å; D1298-R1324 IonicContact OD2-NH1 3.98Å; D1298-R1324 PolarHBondContact OD2-NH1 3.19Å; D1298-R1324 IonicContact OD2-NH2 3.91Å; D1298-R1324 PolarHBondContact OD2-NH2 3.32Å; L1316-R1324 HydrophobicContact CB-CB 4.43Å; L1316-R1324 WeakPolarHBondContact CB-O 3.16Å; L1316-R1324 PolarHBondContact N-O 3.47Å; L1316-R1324 PolarHBondContact O-N 3.42Å; R1324-I1326 HydrophobicContact CG-CG1 4.37Å; R1324-E1334 IonicContact CZ-OE1 3.76Å; R1324-E1334 IonicContact NE-OE1 3.52Å; R1324-E1334 VanDerWaalsContact NH2-CD 3.33Å; R1324-E1334 IonicContact NH2-OE1 2.75Å; R1324-E1334 PolarHBondContact NH2-OE1 2.9Å |
| 1325 | L | 83.8 | Confident | 77.6 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 143.9 | 168.9 | -68 | 99.7 | 0 | 0 | 0 | 109 | T344 A348 L1313 I1314 | T344-L1325 WeakPolarHBondContact CG2-O 3.35Å; A348-L1325 HydrophobicContact CB-CB 4.32Å; A348-L1325 HydrophobicContact CB-CD1 4.37Å; L1313-L1325 HydrophobicContact CD1-CD2 3.84Å; I1314-L1325 CarbonylContact O-C 3.28Å; I1314-L1325 WeakPolarHBondContact O-CA 3.05Å |
| 1326 | I | 84.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.3 | 170.9 | -66.2 | -167.6 | 0 | 0 | 0 | 108.8 | T344 V1297 I1314 L1316 R1324 A1331 E1334 V1336 | T344-I1326 HydrophobicContact CG2-CG1 4.33Å; V1297-I1326 HydrophobicContact CG1-CD1 4.48Å; V1297-I1326 HydrophobicContact CG2-CD1 4.06Å; I1314-I1326 PolarHBondContact N-O 2.93Å; I1314-I1326 PolarHBondContact O-N 2.92Å; L1316-I1326 HydrophobicContact CD1-CD1 3.37Å; L1316-I1326 HydrophobicContact CD1-CG1 4.03Å; L1316-I1326 HydrophobicContact CG-CD1 4.28Å; L1316-I1326 HydrophobicContact CG-CG1 4.48Å; R1324-I1326 HydrophobicContact CG-CG1 4.37Å; I1326-A1331 HydrophobicContact CG2-CB 3.89Å; I1326-E1334 WeakPolarHBondContact CD1-OE2 3.34Å; I1326-E1334 WeakPolarHBondContact CG1-OE2 3.43Å; I1326-V1336 HydrophobicContact CD1-CG2 4.19Å |
| 1327 | S | 84.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -99.6 | 106.6 | 165.9 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | R365 R1329 E1330 A1331 | R365-S1327 PolarHBondContact NH2-OG 2.78Å; S1327-R1329 PolarHBondContact O-N 3.33Å; S1327-R1329 VanDerWaalsContact O-N 3.14Å; S1327-E1330 WeakPolarHBondContact CB-OE2 3.43Å; S1327-E1330 PolarHBondContact O-N 3.48Å; S1327-E1330 PolarHBondContact OG-OE2 3.2Å; S1327-A1331 WeakPolarHBondContact O-CB 3.42Å; S1327-A1331 PolarHBondContact O-N 3.46Å | ||
| 1328 | P | 81.7 | Confident | 76.8 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -35.4 | -172 | -26.1 | 35.3 | 0 | 0 | 0 | 113.7 | R1282 L1284 G1312 I1314 | R1282-P1328 VanDerWaalsContact CA-O 3.3Å; R1282-P1328 WeakPolarHBondContact CA-O 3.13Å; R1282-P1328 WeakPolarHBondContact CB-O 3.38Å; L1284-P1328 HydrophobicContact CD2-CG 4.34Å; L1284-P1328 HydrophobicContact CG-CG 4.32Å; G1312-P1328 WeakPolarHBondContact O-CD 3.38Å; I1314-P1328 HydrophobicContact CD1-CG 3.41Å; I1314-P1328 VanDerWaalsContact CD1-CG 3.41Å; I1314-P1328 HydrophobicContact CG1-CG 3.77Å |
| 1329 | R | 76.8 | Confident | 76.9 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -40.1 | -176 | -178.2 | -179.7 | 173.1 | -169.7 | 3.6 | 112.6 | S1327 | S1327-R1329 PolarHBondContact O-N 3.33Å; S1327-R1329 VanDerWaalsContact O-N 3.14Å |
| 1330 | E | 75.8 | Confident | 77.4 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -3.7 | -177.1 | -59.3 | 97.8 | -145 | 0 | 0 | 113.2 | Y343 R365 S1327 V1332 | Y343-E1330 HydrophobicContact CD1-CB 3.6Å; Y343-E1330 HydrophobicContact CD1-CG 3.85Å; Y343-E1330 WeakPolarHBondContact CD1-OE2 3.36Å; Y343-E1330 HydrophobicContact CE1-CB 4.28Å; Y343-E1330 HydrophobicContact CE1-CG 4.01Å; Y343-E1330 VanDerWaalsContact CE1-OE2 3.23Å; Y343-E1330 WeakPolarHBondContact CE1-OE2 3.28Å; Y343-E1330 HydrophobicContact CG-CB 3.75Å; Y343-E1330 HydrophobicContact CG-CG 4.13Å; R365-E1330 IonicContact CZ-OE2 3.42Å; R365-E1330 VanDerWaalsContact NH1-CD 3.32Å; R365-E1330 IonicContact NH1-OE1 2.68Å; R365-E1330 PolarHBondContact NH1-OE1 3Å; R365-E1330 IonicContact NH1-OE2 3.02Å; R365-E1330 PolarHBondContact NH1-OE2 2.94Å; R365-E1330 VanDerWaalsContact NH1-OE2 3.07Å; S1327-E1330 WeakPolarHBondContact CB-OE2 3.43Å; S1327-E1330 PolarHBondContact O-N 3.48Å; S1327-E1330 PolarHBondContact OG-OE2 3.2Å; E1330-V1332 VanDerWaalsContact C-N 3.29Å; E1330-V1332 PolarHBondContact O-N 3.48Å |
| 1331 | A | 70.3 | Confident | 78.2 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | trans | -81.8 | 57.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1326 S1327 E1334 | I1326-A1331 HydrophobicContact CG2-CB 3.89Å; S1327-A1331 WeakPolarHBondContact O-CB 3.42Å; S1327-A1331 PolarHBondContact O-N 3.46Å; A1331-E1334 HydrophobicContact CB-CG 4.36Å | ||
| 1332 | V | 61.8 | Low | 78.9 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -61.8 | -45.7 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | E383 E1330 | E383-V1332 HydrophobicContact CB-CG2 3.58Å; E383-V1332 HydrophobicContact CG-CG2 4.43Å; E383-V1332 WeakPolarHBondContact OE2-CG1 3.26Å; E383-V1332 VanDerWaalsContact OE2-CG2 3.26Å; E383-V1332 WeakPolarHBondContact OE2-CG2 3.18Å; E1330-V1332 VanDerWaalsContact C-N 3.29Å; E1330-V1332 PolarHBondContact O-N 3.48Å |
| 1333 | A | 53.7 | Low | 79.6 | Confident | 57 Ų | 57 | 35.6 Ų | 35.6 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97.2 | -2.7 | -163 | 0 | 0 | 0 | 0 | 0 | 114.3 | T342 G1335 | T342-A1333 HydrophobicContact CG2-CB 4.33Å; A1333-G1335 VanDerWaalsContact C-N 3.34Å; A1333-G1335 PolarHBondContact O-N 2.88Å |
| 1334 | E | 61.3 | Low | 80.1 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -82.9 | -10.7 | -171.9 | -61 | -166.1 | 140.5 | 0 | 0 | 113.5 | T342 T344 V1297 R1324 I1326 A1331 V1336 | T342-E1334 HydrophobicContact CG2-CG 4.19Å; T342-E1334 PolarHBondContact OG1-OE1 2.7Å; T344-E1334 VanDerWaalsContact CB-OE1 3.26Å; T344-E1334 WeakPolarHBondContact CB-OE1 3.42Å; T344-E1334 WeakPolarHBondContact CG2-OE1 3.3Å; V1297-E1334 HydrophobicContact CG1-CB 4.45Å; R1324-E1334 IonicContact CZ-OE1 3.76Å; R1324-E1334 IonicContact NE-OE1 3.52Å; R1324-E1334 VanDerWaalsContact NH2-CD 3.33Å; R1324-E1334 IonicContact NH2-OE1 2.75Å; R1324-E1334 PolarHBondContact NH2-OE1 2.9Å; I1326-E1334 WeakPolarHBondContact CD1-OE2 3.34Å; I1326-E1334 WeakPolarHBondContact CG1-OE2 3.43Å; A1331-E1334 HydrophobicContact CB-CG 4.36Å; E1334-V1336 VanDerWaalsContact C-N 3.26Å; E1334-V1336 HydrophobicContact CB-CG2 4.01Å; E1334-V1336 PolarHBondContact O-N 2.78Å |
| 1335 | G | 66.7 | Low | 80.5 | Confident | 64 Ų | 64 | 35.1 Ų | 35.1 | 66% | 0.66 | 22% | 0.215 | S | C | * | . | trans | 57.7 | 37.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1333 | A1333-G1335 VanDerWaalsContact C-N 3.34Å; A1333-G1335 PolarHBondContact O-N 2.88Å | ||
| 1336 | V | 79.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | trans | -66.1 | 136.2 | -174.7 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | L1281 W1287 A1295 V1297 I1326 E1334 | L1281-V1336 HydrophobicContact CD1-CB 4.38Å; L1281-V1336 WeakPolarHBondContact CD1-O 3.47Å; W1287-V1336 HydrophobicContact CH2-CG1 3.65Å; W1287-V1336 HydrophobicContact CZ2-CG1 3.99Å; A1295-V1336 HydrophobicContact CB-CG1 4.28Å; V1297-V1336 HydrophobicContact CG2-CG1 4.25Å; V1297-V1336 HydrophobicContact CG2-CG2 4.05Å; I1326-V1336 HydrophobicContact CD1-CG2 4.19Å; E1334-V1336 VanDerWaalsContact C-N 3.26Å; E1334-V1336 HydrophobicContact CB-CG2 4.01Å; E1334-V1336 PolarHBondContact O-N 2.78Å | ||
| 1337 | T | 83.6 | Confident | 81.2 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142 | 165.2 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | A1295 L1296 Y1339 | A1295-T1337 CarbonylContact C-O 3.52Å; A1295-T1337 WeakPolarHBondContact CA-O 3.39Å; L1296-T1337 PolarHBondContact N-O 3.32Å; L1296-T1337 PolarHBondContact O-N 2.87Å; T1337-Y1339 VanDerWaalsContact OG1-CE2 3.23Å; T1337-Y1339 WeakPolarHBondContact OG1-CE2 3.43Å |
| 1338 | L | 89 | Confident | 81.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134.2 | 177.4 | -75.2 | 172.4 | 0 | 0 | 0 | 111 | A1274 I1276 L1281 W1287 H1290 A1293 A1295 I1304 | A1274-L1338 HydrophobicContact CB-CB 3.87Å; A1274-L1338 WeakPolarHBondContact CB-O 3.4Å; A1274-L1338 PolarHBondContact N-O 3.42Å; I1276-L1338 HydrophobicContact CD1-CB 4.19Å; L1281-L1338 HydrophobicContact CD2-CD1 3.3Å; L1281-L1338 HydrophobicContact CD2-CG 3.71Å; W1287-L1338 HydrophobicContact CE3-CD1 4.49Å; W1287-L1338 HydrophobicContact CE3-CD2 4.06Å; W1287-L1338 HydrophobicContact CZ3-CD2 3.9Å; H1290-L1338 HydrophobicContact CB-CD1 4.13Å; A1293-L1338 HydrophobicContact CB-CB 4.44Å; A1293-L1338 HydrophobicContact CB-CD2 3.98Å; A1295-L1338 HydrophobicContact CB-CD2 4.14Å; I1304-L1338 HydrophobicContact CD1-CD2 4.19Å |
| 1339 | Y | 91.4 | Very high | 82 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.6 | 175.1 | -64.6 | -76.2 | 0 | 0 | 0 | 111.3 | L1271 N1272 T1273 A1293 L1294 L1296 Y1301 T1337 H1400 | L1271-Y1339 HydrophobicContact CB-CD1 4.35Å; L1271-Y1339 HydrophobicContact CB-CG 4.39Å; N1272-Y1339 CarbonylContact O-C 3.54Å; N1272-Y1339 WeakPolarHBondContact O-CA 3.45Å; T1273-Y1339 HydrophobicContact CG2-CE1 4.43Å; A1293-Y1339 CarbonylContact C-O 3.59Å; A1293-Y1339 VanDerWaalsContact CA-O 3.23Å; A1293-Y1339 WeakPolarHBondContact CA-O 3.38Å; A1293-Y1339 VanDerWaalsContact CB-O 3.32Å; A1293-Y1339 WeakPolarHBondContact CB-O 3.44Å; L1294-Y1339 PolarHBondContact N-O 3.44Å; L1294-Y1339 PolarHBondContact O-N 2.97Å; L1296-Y1339 HydrophobicContact CB-CD2 4.15Å; L1296-Y1339 HydrophobicContact CB-CE2 3.74Å; L1296-Y1339 HydrophobicContact CD2-CE2 3.92Å; L1296-Y1339 HydrophobicContact CG-CE2 4.47Å; Y1301-Y1339 HydrophobicContact CE1-CD2 4.2Å; Y1301-Y1339 HydrophobicContact CE1-CE2 4.34Å; T1337-Y1339 VanDerWaalsContact OG1-CE2 3.23Å; T1337-Y1339 WeakPolarHBondContact OG1-CE2 3.43Å; Y1339-H1400 AromaticContact CD1-CE1 3.66Å; Y1339-H1400 AromaticContact CE1-CE1 3.37Å; Y1339-H1400 WeakPolarHBondContact CE1-CE1 3.48Å; Y1339-H1400 AromaticContact CE1-ND1 3.79Å; Y1339-H1400 AromaticContact CE2-CE1 3.93Å; Y1339-H1400 AromaticContact CZ-CE1 3.51Å |
| 1340 | T | 90.3 | Very high | 82.7 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.1 | 171.6 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | N1272 | N1272-T1340 PolarHBondContact N-O 3.02Å; N1272-T1340 PolarHBondContact O-N 3.5Å |
| 1341 | P | 92.1 | Very high | 83.5 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138.9 | 172.6 | 29.3 | -33.1 | 0 | 0 | 0 | 110.6 | L1271 D1292 | L1271-P1341 HydrophobicContact CD2-CB 4.26Å; D1292-P1341 WeakPolarHBondContact O-CD 3.33Å |
| 1342 | D | 90.3 | Very high | 84.5 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 34% | 0.342 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 176.2 | -179 | -156.2 | -11.6 | 0 | 0 | 0 | 109.4 | R1245 V1270 N1272 | R1245-D1342 IonicContact NH1-OD2 3.65Å; R1245-D1342 PolarHBondContact NH1-OD2 3.09Å; V1270-D1342 HydrophobicContact CG2-CB 3.89Å; V1270-D1342 PolarHBondContact N-O 3.35Å; V1270-D1342 PolarHBondContact O-N 3.01Å; N1272-D1342 WeakPolarHBondContact ND2-CB 3.22Å; N1272-D1342 PolarHBondContact ND2-OD2 3.34Å |
| 1343 | T | 91.4 | Very high | 85.8 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.1 | 175.7 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | M1267 V1268 | M1267-T1343 WeakPolarHBondContact CE-OG1 3.4Å; V1268-T1343 WeakPolarHBondContact O-CA 3.49Å |
| 1344 | I | 91.5 | Very high | 87.5 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.8 | 175.2 | 65 | 175.6 | 0 | 0 | 0 | 110.6 | V1268 V1270 V1346 M1352 L1403 | V1268-I1344 HydrophobicContact CB-CG1 4.38Å; V1268-I1344 PolarHBondContact N-O 3.15Å; V1268-I1344 PolarHBondContact O-N 3.43Å; V1270-I1344 HydrophobicContact CG1-CD1 3.69Å; V1270-I1344 HydrophobicContact CG1-CG1 3.65Å; V1270-I1344 HydrophobicContact CG1-CG2 4.39Å; V1270-I1344 HydrophobicContact CG2-CG2 4.03Å; I1344-V1346 HydrophobicContact CD1-CG1 3.89Å; I1344-V1346 HydrophobicContact CG1-CG1 4.03Å; I1344-M1352 HydrophobicContact CD1-CE 4.38Å; I1344-L1403 HydrophobicContact CD1-CG 4.42Å |
| 1345 | R | 90.9 | Very high | 88.6 | Confident | 81 Ų | 81 | 32.6 Ų | 32.6 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.6 | 166.4 | -78.5 | -176.7 | -79.6 | 134.1 | 4.3 | 110.1 | H1252 D1253 E1256 V1266 M1267 | H1252-R1345 VanDerWaalsContact NE2-CB 3.32Å; H1252-R1345 WeakPolarHBondContact NE2-CB 3.26Å; D1253-R1345 IonicContact OD1-CZ 3.91Å; D1253-R1345 IonicContact OD1-NH1 3.84Å; D1253-R1345 PolarHBondContact OD1-NH1 3.14Å; D1253-R1345 IonicContact OD1-NH2 2.84Å; D1253-R1345 PolarHBondContact OD1-NH2 3.1Å; D1253-R1345 IonicContact OD2-NH2 3.51Å; E1256-R1345 IonicContact OE2-NH1 2.81Å; E1256-R1345 PolarHBondContact OE2-NH1 2.95Å; V1266-R1345 WeakPolarHBondContact O-CA 2.85Å; M1267-R1345 HydrophobicContact SD-CB 4.49Å; M1267-R1345 HydrophobicContact SD-CG 3.26Å; M1267-R1345 WeakPolarHBondContact SD-CG 3.29Å |
| 1346 | V | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.1 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | Q1265 V1266 V1268 I1344 D1350 M1352 V1374 V1379 | Q1265-V1346 VanDerWaalsContact OE1-C 3.27Å; Q1265-V1346 PolarHBondContact OE1-O 2.92Å; V1266-V1346 PolarHBondContact N-O 3.11Å; V1266-V1346 PolarHBondContact O-N 3.41Å; V1268-V1346 HydrophobicContact CB-CG2 4.24Å; V1268-V1346 HydrophobicContact CG2-CG2 3.44Å; V1268-V1346 VanDerWaalsContact CG2-CG2 3.44Å; I1344-V1346 HydrophobicContact CD1-CG1 3.89Å; I1344-V1346 HydrophobicContact CG1-CG1 4.03Å; V1346-D1350 WeakPolarHBondContact CA-OD2 3.48Å; V1346-M1352 HydrophobicContact CG1-CE 4.16Å; V1346-M1352 HydrophobicContact CG1-SD 3.91Å; V1346-V1374 HydrophobicContact CG2-CG2 4.45Å; V1346-V1379 HydrophobicContact CG2-CG2 4.16Å |
| 1347 | G | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 167.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1349 D1350 | G1347-G1349 PolarHBondContact O-N 3.37Å; G1347-D1350 PolarHBondContact N-OD2 2.84Å; G1347-D1350 WeakPolarHBondContact O-CB 3.16Å; G1347-D1350 PolarHBondContact O-N 2.95Å; G1347-D1350 VanDerWaalsContact O-N 3.13Å |
| 1348 | S | 92.8 | Very high | 89.1 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.1 | 172.9 | -73.1 | 0 | 0 | 0 | 0 | 110.9 | L1261 G1262 T1372 A1373 | L1261-S1348 WeakPolarHBondContact CA-O 3.39Å; G1262-S1348 PolarHBondContact N-O 3.26Å; S1348-T1372 PolarHBondContact OG-O 3.07Å; S1348-A1373 WeakPolarHBondContact OG-CA 3.38Å |
| 1349 | G | 89.8 | Confident | 88.4 | Confident | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -8.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1347 V1371 | G1347-G1349 PolarHBondContact O-N 3.37Å; G1349-V1371 PolarHBondContact N-O 3.45Å |
| 1350 | D | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -67.8 | 147.8 | 174.7 | -86.4 | -48.5 | 0 | 0 | 0 | 112.3 | H1252 L1261 V1346 G1347 T1370 V1371 L1403 Y1405 | H1252-D1350 IonicContact CE1-OD2 3.6Å; H1252-D1350 PolarHBondContact CE1-OD2 3.49Å; H1252-D1350 IonicContact ND1-OD1 3.47Å; H1252-D1350 PolarHBondContact ND1-OD1 3.14Å; H1252-D1350 VanDerWaalsContact ND1-OD1 3.1Å; H1252-D1350 IonicContact ND1-OD2 3.77Å; H1252-D1350 PolarHBondContact ND1-OD2 3.02Å; L1261-D1350 HydrophobicContact CD2-CB 4.49Å; V1346-D1350 WeakPolarHBondContact CA-OD2 3.48Å; G1347-D1350 PolarHBondContact N-OD2 2.84Å; G1347-D1350 WeakPolarHBondContact O-CB 3.16Å; G1347-D1350 PolarHBondContact O-N 2.95Å; G1347-D1350 VanDerWaalsContact O-N 3.13Å; D1350-T1370 CarbonylContact O-C 3.58Å; D1350-T1370 WeakPolarHBondContact O-CA 3.47Å; D1350-V1371 HydrophobicContact CB-CB 4.43Å; D1350-V1371 HydrophobicContact CB-CG2 4.02Å; D1350-V1371 WeakPolarHBondContact O-CG2 3.4Å; D1350-V1371 PolarHBondContact O-N 3.45Å; D1350-L1403 HydrophobicContact CB-CD2 4.17Å; D1350-Y1405 WeakPolarHBondContact CA-OH 3.16Å; D1350-Y1405 PolarHBondContact OD1-OH 2.92Å | ||
| 1351 | R | 91.9 | Very high | 87.3 | Confident | 53 Ų | 53 | 36.2 Ų | 36.2 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.7 | 168.8 | -69.9 | -173.9 | 172.3 | -158.4 | -9.4 | 109.8 | E1232 W1369 L1403 A1404 Y1405 | E1232-R1351 VanDerWaalsContact CA-NH2 3.31Å; E1232-R1351 VanDerWaalsContact CB-NH2 3.26Å; E1232-R1351 PolarHBondContact O-NH1 2.91Å; E1232-R1351 IonicContact OE1-NH2 3.93Å; E1232-R1351 PolarHBondContact OE1-NH2 2.53Å; R1351-W1369 CarbonylContact C-O 3.57Å; R1351-W1369 WeakPolarHBondContact CA-O 3.4Å; R1351-L1403 WeakPolarHBondContact O-CA 3.42Å; R1351-A1404 HydrophobicContact CB-CB 4.22Å; R1351-A1404 PolarHBondContact O-N 2.94Å; R1351-Y1405 HydrophobicContact CB-CD1 4.41Å; R1351-Y1405 HydrophobicContact CB-CE1 4.18Å; R1351-Y1405 HydrophobicContact CG-CE1 4.39Å |
| 1352 | M | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 159.8 | 179.7 | -68 | -175 | 70.1 | 0 | 0 | 111.6 | I1344 V1346 V1368 W1369 V1371 V1379 L1381 I1401 D1402 L1403 | I1344-M1352 HydrophobicContact CD1-CE 4.38Å; V1346-M1352 HydrophobicContact CG1-CE 4.16Å; V1346-M1352 HydrophobicContact CG1-SD 3.91Å; M1352-V1368 CarbonylContact O-C 3.59Å; M1352-V1368 WeakPolarHBondContact O-CA 3.39Å; M1352-W1369 PolarHBondContact N-O 2.96Å; M1352-W1369 PolarHBondContact O-N 3.32Å; M1352-V1371 HydrophobicContact CG-CG2 3.72Å; M1352-V1371 HydrophobicContact SD-CG2 3.34Å; M1352-V1371 WeakPolarHBondContact SD-CG2 3.36Å; M1352-V1379 HydrophobicContact SD-CG1 4.18Å; M1352-L1381 HydrophobicContact CB-CD2 4.19Å; M1352-L1381 HydrophobicContact CG-CD2 4.49Å; M1352-L1381 HydrophobicContact SD-CD2 3.93Å; M1352-I1401 HydrophobicContact CE-CB 3.77Å; M1352-I1401 HydrophobicContact CE-CD1 3.48Å; M1352-I1401 VanDerWaalsContact CE-CD1 3.48Å; M1352-I1401 HydrophobicContact CE-CG1 4.13Å; M1352-I1401 HydrophobicContact CE-CG2 4.27Å; M1352-D1402 CarbonylContact C-O 3.3Å; M1352-D1402 VanDerWaalsContact CA-O 3.28Å; M1352-D1402 WeakPolarHBondContact CA-O 3.32Å; M1352-L1403 HydrophobicContact CG-CD2 4.42Å |
| 1353 | R | 89.3 | Confident | 86.2 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.4 | 168.7 | 64.6 | 168.3 | 154.4 | -142.1 | -30.9 | 110.8 | S1367 I1401 D1402 L1403 A1404 A1406 | R1353-S1367 VanDerWaalsContact CA-O 3.23Å; R1353-S1367 WeakPolarHBondContact CA-O 3.46Å; R1353-S1367 VanDerWaalsContact CB-O 3.31Å; R1353-S1367 WeakPolarHBondContact CB-O 3.25Å; R1353-I1401 CarbonylContact O-C 3.56Å; R1353-I1401 VanDerWaalsContact O-CA 3.25Å; R1353-I1401 WeakPolarHBondContact O-CA 3.02Å; R1353-D1402 HydrophobicContact CG-CB 4.35Å; R1353-D1402 PolarHBondContact N-O 2.83Å; R1353-D1402 PolarHBondContact O-N 2.91Å; R1353-L1403 PolarHBondContact NH2-O 2.63Å; R1353-A1404 HydrophobicContact CB-CB 4.06Å; R1353-A1404 HydrophobicContact CG-CB 4.24Å; R1353-A1406 PolarHBondContact NH2-O 3.29Å |
| 1354 | F | 88.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.9 | 163.4 | -63.4 | -75.3 | 0 | 0 | 0 | 110.6 | Y1363 N1366 W1369 L1381 I1390 H1400 I1401 | F1354-Y1363 HydrophobicContact CD1-CD1 4.35Å; F1354-Y1363 HydrophobicContact CD1-CG 4.15Å; F1354-Y1363 AromaticContact CE1-CD1 3.72Å; F1354-Y1363 HydrophobicContact CE1-CD1 3.72Å; F1354-Y1363 HydrophobicContact CE1-CD2 4.33Å; F1354-Y1363 HydrophobicContact CE1-CE1 4.11Å; F1354-Y1363 AromaticContact CE1-CG 3.91Å; F1354-Y1363 HydrophobicContact CE1-CG 3.91Å; F1354-Y1363 AromaticContact CE2-CD1 3.95Å; F1354-Y1363 HydrophobicContact CE2-CD1 3.95Å; F1354-Y1363 AromaticContact CZ-CD1 3.5Å; F1354-Y1363 HydrophobicContact CZ-CD1 3.5Å; F1354-Y1363 VanDerWaalsContact CZ-CD1 3.5Å; F1354-Y1363 AromaticContact CZ-CE1 3.88Å; F1354-Y1363 HydrophobicContact CZ-CE1 3.88Å; F1354-Y1363 HydrophobicContact CZ-CG 4.12Å; F1354-N1366 PolarHBondContact O-N 2.92Å; F1354-W1369 AromaticContact CD2-NE1 3.78Å; F1354-W1369 AromaticContact CE2-CD1 3.85Å; F1354-W1369 HydrophobicContact CE2-CG 4.47Å; F1354-W1369 AromaticContact CE2-NE1 3.57Å; F1354-L1381 HydrophobicContact CE1-CD1 4.47Å; F1354-L1381 HydrophobicContact CE2-CD1 4.19Å; F1354-L1381 HydrophobicContact CZ-CD1 3.74Å; F1354-I1390 HydrophobicContact CE1-CG2 4.22Å; F1354-I1390 HydrophobicContact CZ-CG2 4.27Å; F1354-H1400 CarbonylContact C-O 3.51Å; F1354-H1400 WeakPolarHBondContact CA-O 3.43Å; F1354-I1401 HydrophobicContact CD1-CG2 3.63Å; F1354-I1401 HydrophobicContact CE1-CG2 3.75Å |
| 1355 | T | 85.2 | Confident | 84.9 | Confident | 34 Ų | 34 | 29.1 Ų | 29.1 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -93.2 | -21.5 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | H1400 D1402 | T1355-H1400 PolarHBondContact N-O 2.86Å; T1355-H1400 VanDerWaalsContact OG1-CA 3.3Å; T1355-H1400 WeakPolarHBondContact OG1-CA 3.43Å; T1355-H1400 WeakPolarHBondContact OG1-CB 3.22Å; T1355-H1400 PolarHBondContact OG1-O 3.26Å; T1355-D1402 HydrophobicContact CG2-CB 3.86Å |
| 1356 | K | 83.3 | Confident | 84.1 | Confident | 55 Ų | 55 | 28.7 Ų | 28.7 | 24% | 0.239 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -127.6 | 144 | 179.4 | -174.4 | -174.4 | 174.7 | -171.8 | 0 | 110.6 | H1400 | K1356-H1400 HydrophobicContact CB-CB 3.79Š|
| 1357 | S | 78.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 30.2 Ų | 30.2 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | trans | -85.4 | 129.9 | 171 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | H1034 Y1363 A1365 | H1034-S1357 PolarHBondContact CD2-OG 3.32Å; H1034-S1357 PolarHBondContact CE1-OG 3.32Å; H1034-S1357 PolarHBondContact NE2-OG 3.29Å; S1357-Y1363 CarbonylContact C-O 3.47Å; S1357-Y1363 WeakPolarHBondContact CA-O 3.49Å; S1357-A1365 VanDerWaalsContact OG-CB 3.26Å; S1357-A1365 WeakPolarHBondContact OG-CB 3.42Å; S1357-A1365 PolarHBondContact OG-N 3.25Å | ||
| 1358 | D | 79.5 | Confident | 83.2 | Confident | 43 Ų | 43 | 34 Ų | 34 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -130.3 | 102.9 | 170.3 | -175.4 | -16.2 | 0 | 0 | 0 | 108 | E1360 C1361 G1362 Y1363 | D1358-E1360 VanDerWaalsContact C-N 3.26Å; D1358-E1360 PolarHBondContact O-N 3.48Å; D1358-E1360 WeakPolarHBondContact OD1-CB 3.24Å; D1358-E1360 PolarHBondContact OD1-N 3.34Å; D1358-C1361 HydrophobicContact CB-CB 4.25Å; D1358-C1361 PolarHBondContact O-N 3.4Å; D1358-C1361 PolarHBondContact OD1-N 3.24Å; D1358-C1361 PolarHBondContact OD2-SG 3.24Å; D1358-G1362 CarbonylContact O-C 3.14Å; D1358-G1362 PolarHBondContact O-N 3.1Å; D1358-Y1363 CarbonylContact C-O 3.5Å; D1358-Y1363 HydrophobicContact CB-CD2 4.25Å; D1358-Y1363 PolarHBondContact N-O 2.92Å; D1358-Y1363 PolarHBondContact O-N 3.06Å |
| 1359 | R | 73.9 | Confident | 83.1 | Confident | 93 Ų | 93 | 32.3 Ų | 32.3 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -25.7 | -176.8 | -59.6 | -179.9 | -177.2 | 159 | 4.3 | 112.5 | S824 S1052 G1362 | S824-R1359 VanDerWaalsContact CB-O 3.29Å; S824-R1359 WeakPolarHBondContact CB-O 3.35Å; S1052-R1359 PolarHBondContact OG-NH2 3.41Å; R1359-G1362 PolarHBondContact O-N 2.86Å |
| 1360 | E | 77.8 | Confident | 83.2 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -36.7 | 178.4 | -66.7 | -60.6 | 165.4 | 0 | 0 | 111.2 | R586 T800 Q801 D1358 G1362 | R586-E1360 IonicContact NH1-OE2 3.53Å; R586-E1360 PolarHBondContact NH2-O 2.97Å; T800-E1360 WeakPolarHBondContact CA-OE1 3.42Å; T800-E1360 WeakPolarHBondContact CB-OE1 3.25Å; Q801-E1360 WeakPolarHBondContact CB-OE1 3.39Å; Q801-E1360 WeakPolarHBondContact CG-OE1 3.45Å; Q801-E1360 PolarHBondContact N-OE1 2.66Å; D1358-E1360 VanDerWaalsContact C-N 3.26Å; D1358-E1360 PolarHBondContact O-N 3.48Å; D1358-E1360 WeakPolarHBondContact OD1-CB 3.24Å; D1358-E1360 PolarHBondContact OD1-N 3.34Å; E1360-G1362 VanDerWaalsContact C-N 3.32Å |
| 1361 | C | 80.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.8 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | D1358 Y1363 | D1358-C1361 HydrophobicContact CB-CB 4.25Å; D1358-C1361 PolarHBondContact O-N 3.4Å; D1358-C1361 PolarHBondContact OD1-N 3.24Å; D1358-C1361 PolarHBondContact OD2-SG 3.24Å; C1361-Y1363 HydrophobicContact CB-CD1 4.39Å; C1361-Y1363 HydrophobicContact CB-CD2 3.34Å; C1361-Y1363 HydrophobicContact CB-CE1 4.28Å; C1361-Y1363 HydrophobicContact CB-CE2 3.24Å; C1361-Y1363 HydrophobicContact CB-CG 3.92Å; C1361-Y1363 PolarHBondContact O-N 2.82Å |
| 1362 | G | 76.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | P581 D1358 R1359 E1360 R1388 | P581-G1362 WeakPolarHBondContact O-CA 3.11Å; P581-G1362 PolarHBondContact O-N 3.35Å; D1358-G1362 CarbonylContact O-C 3.14Å; D1358-G1362 PolarHBondContact O-N 3.1Å; R1359-G1362 PolarHBondContact O-N 2.86Å; E1360-G1362 VanDerWaalsContact C-N 3.32Å; G1362-R1388 VanDerWaalsContact O-CZ 3.26Å; G1362-R1388 PolarHBondContact O-NH1 3.15Å; G1362-R1388 PolarHBondContact O-NH2 3.1Å |
| 1363 | Y | 83.2 | Confident | 83.3 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 133.6 | -179.9 | -55.7 | -36.8 | 0 | 0 | 0 | 111.1 | F1354 S1357 D1358 C1361 I1390 E1398 | F1354-Y1363 HydrophobicContact CD1-CD1 4.35Å; F1354-Y1363 HydrophobicContact CD1-CG 4.15Å; F1354-Y1363 AromaticContact CE1-CD1 3.72Å; F1354-Y1363 HydrophobicContact CE1-CD1 3.72Å; F1354-Y1363 HydrophobicContact CE1-CD2 4.33Å; F1354-Y1363 HydrophobicContact CE1-CE1 4.11Å; F1354-Y1363 AromaticContact CE1-CG 3.91Å; F1354-Y1363 HydrophobicContact CE1-CG 3.91Å; F1354-Y1363 AromaticContact CE2-CD1 3.95Å; F1354-Y1363 HydrophobicContact CE2-CD1 3.95Å; F1354-Y1363 AromaticContact CZ-CD1 3.5Å; F1354-Y1363 HydrophobicContact CZ-CD1 3.5Å; F1354-Y1363 VanDerWaalsContact CZ-CD1 3.5Å; F1354-Y1363 AromaticContact CZ-CE1 3.88Å; F1354-Y1363 HydrophobicContact CZ-CE1 3.88Å; F1354-Y1363 HydrophobicContact CZ-CG 4.12Å; S1357-Y1363 CarbonylContact C-O 3.47Å; S1357-Y1363 WeakPolarHBondContact CA-O 3.49Å; D1358-Y1363 CarbonylContact C-O 3.5Å; D1358-Y1363 HydrophobicContact CB-CD2 4.25Å; D1358-Y1363 PolarHBondContact N-O 2.92Å; D1358-Y1363 PolarHBondContact O-N 3.06Å; C1361-Y1363 HydrophobicContact CB-CD1 4.39Å; C1361-Y1363 HydrophobicContact CB-CD2 3.34Å; C1361-Y1363 HydrophobicContact CB-CE1 4.28Å; C1361-Y1363 HydrophobicContact CB-CE2 3.24Å; C1361-Y1363 HydrophobicContact CB-CG 3.92Å; C1361-Y1363 PolarHBondContact O-N 2.82Å; Y1363-I1390 HydrophobicContact CE1-CG2 4.18Å; Y1363-E1398 HydrophobicContact CE2-CG 4.1Å; Y1363-E1398 PolarHBondContact OH-OE1 3.28Å |
| 1364 | V | 76.7 | Confident | 83.3 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 38% | 0.376 | 21% | 0.21 | S | C | . | . | trans | -116.8 | 123 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | H1034 N1366 S1367 | H1034-V1364 HydrophobicContact CB-CG1 4.36Å; V1364-N1366 PolarHBondContact O-N 3.42Å; V1364-S1367 PolarHBondContact O-N 2.86Å; V1364-S1367 PolarHBondContact O-OG 2.92Å | ||
| 1365 | A | 77.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 139.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1357 S1367 | S1357-A1365 VanDerWaalsContact OG-CB 3.26Å; S1357-A1365 WeakPolarHBondContact OG-CB 3.42Å; S1357-A1365 PolarHBondContact OG-N 3.25Å; A1365-S1367 PolarHBondContact O-N 3.41Å |
| 1366 | N | 74.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 10.4 | 179.6 | -58.9 | -63.8 | 0 | 0 | 0 | 115.6 | F1354 V1364 | F1354-N1366 PolarHBondContact O-N 2.92Å; V1364-N1366 PolarHBondContact O-N 3.42Å |
| 1367 | S | 77.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | trans | -69.7 | 134.2 | 165.3 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | R1353 V1364 A1365 W1369 | R1353-S1367 VanDerWaalsContact CA-O 3.23Å; R1353-S1367 WeakPolarHBondContact CA-O 3.46Å; R1353-S1367 VanDerWaalsContact CB-O 3.31Å; R1353-S1367 WeakPolarHBondContact CB-O 3.25Å; V1364-S1367 PolarHBondContact O-N 2.86Å; V1364-S1367 PolarHBondContact O-OG 2.92Å; A1365-S1367 PolarHBondContact O-N 3.41Å; S1367-W1369 PolarHBondContact OG-NE1 3.28Å | ||
| 1368 | V | 84.7 | Confident | 82.8 | Confident | 78 Ų | 78 | 41 Ų | 41 | 47% | 0.473 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.8 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | M1352 A1404 | M1352-V1368 CarbonylContact O-C 3.59Å; M1352-V1368 WeakPolarHBondContact O-CA 3.39Å; V1368-A1404 HydrophobicContact CG1-CB 4.03Å; V1368-A1404 HydrophobicContact CG2-CB 4.31Å |
| 1369 | W | 90.4 | Very high | 83.4 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.7 | -178.5 | -64.8 | 77.3 | 0 | 0 | 0 | 110 | R1351 M1352 F1354 S1367 L1381 D1383 Q1386 R1388 | R1351-W1369 CarbonylContact C-O 3.57Å; R1351-W1369 WeakPolarHBondContact CA-O 3.4Å; M1352-W1369 PolarHBondContact N-O 2.96Å; M1352-W1369 PolarHBondContact O-N 3.32Å; F1354-W1369 AromaticContact CD2-NE1 3.78Å; F1354-W1369 AromaticContact CE2-CD1 3.85Å; F1354-W1369 HydrophobicContact CE2-CG 4.47Å; F1354-W1369 AromaticContact CE2-NE1 3.57Å; S1367-W1369 PolarHBondContact OG-NE1 3.28Å; W1369-L1381 HydrophobicContact CB-CB 3.99Å; W1369-L1381 HydrophobicContact CB-CD1 4.25Å; W1369-L1381 HydrophobicContact CB-CD2 4.25Å; W1369-L1381 HydrophobicContact CB-CG 4.39Å; W1369-L1381 HydrophobicContact CD2-CB 4.21Å; W1369-L1381 HydrophobicContact CE3-CB 3.8Å; W1369-L1381 HydrophobicContact CG-CB 4.31Å; W1369-L1381 HydrophobicContact CG-CD1 4.36Å; W1369-D1383 HydrophobicContact CD2-CB 4.2Å; W1369-D1383 HydrophobicContact CE3-CB 3.95Å; W1369-D1383 HydrophobicContact CH2-CB 4.42Å; W1369-D1383 HydrophobicContact CZ3-CB 4.07Å; W1369-Q1386 HydrophobicContact CH2-CB 4.46Å; W1369-Q1386 HydrophobicContact CH2-CG 3.51Å; W1369-Q1386 HydrophobicContact CZ3-CG 3.94Å; W1369-Q1386 WeakPolarHBondContact CZ3-O 3.27Å; W1369-R1388 HydrophobicContact CH2-CG 3.62Å; W1369-R1388 HydrophobicContact CZ2-CG 4.42Å; W1369-R1388 HydrophobicContact CZ3-CB 4.31Å; W1369-R1388 HydrophobicContact CZ3-CG 3.71Å |
| 1370 | T | 93.4 | Very high | 84.3 | Confident | 55 Ų | 55 | 36 Ų | 36 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.7 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | D1350 T1372 L1381 S1382 | D1350-T1370 CarbonylContact O-C 3.58Å; D1350-T1370 WeakPolarHBondContact O-CA 3.47Å; T1370-T1372 PolarHBondContact O-N 3.17Å; T1370-L1381 CarbonylContact O-C 3.59Å; T1370-L1381 WeakPolarHBondContact O-CA 3.36Å; T1370-S1382 PolarHBondContact N-O 2.84Å; T1370-S1382 PolarHBondContact O-N 2.84Å |
| 1371 | V | 94.2 | Very high | 85 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 119 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | G1349 D1350 M1352 V1374 V1379 T1380 L1381 | G1349-V1371 PolarHBondContact N-O 3.45Å; D1350-V1371 HydrophobicContact CB-CB 4.43Å; D1350-V1371 HydrophobicContact CB-CG2 4.02Å; D1350-V1371 WeakPolarHBondContact O-CG2 3.4Å; D1350-V1371 PolarHBondContact O-N 3.45Å; M1352-V1371 HydrophobicContact CG-CG2 3.72Å; M1352-V1371 HydrophobicContact SD-CG2 3.34Å; M1352-V1371 WeakPolarHBondContact SD-CG2 3.36Å; V1371-V1374 HydrophobicContact CG1-CG2 3.53Å; V1371-V1379 HydrophobicContact CG1-CG1 3.82Å; V1371-V1379 HydrophobicContact CG2-CG1 4.06Å; V1371-T1380 WeakPolarHBondContact CA-O 3.42Å; V1371-L1381 HydrophobicContact CG2-CD2 3.81Å |
| 1372 | T | 93.5 | Very high | 85.6 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -39.4 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | S1348 T1370 T1380 | S1348-T1372 PolarHBondContact OG-O 3.07Å; T1370-T1372 PolarHBondContact O-N 3.17Å; T1372-T1380 PolarHBondContact N-O 3.28Å; T1372-T1380 WeakPolarHBondContact OG1-CG2 3.15Å; T1372-T1380 PolarHBondContact OG1-O 3.1Å |
| 1373 | A | 90.6 | Very high | 85.9 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 146.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | S1348 T1380 | S1348-A1373 WeakPolarHBondContact OG-CA 3.38Å; A1373-T1380 PolarHBondContact O-N 3.14Å |
| 1374 | V | 89.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.8 | 170.2 | -171.8 | 0 | 0 | 0 | 0 | 106.4 | V1266 V1346 V1371 V1379 | V1266-V1374 HydrophobicContact CB-CG1 3.67Å; V1266-V1374 HydrophobicContact CG1-CG1 4.44Å; V1266-V1374 HydrophobicContact CG2-CB 4.5Å; V1266-V1374 HydrophobicContact CG2-CG1 3.38Å; V1346-V1374 HydrophobicContact CG2-CG2 4.45Å; V1371-V1374 HydrophobicContact CG1-CG2 3.53Å; V1374-V1379 HydrophobicContact CG1-CG2 4.45Å |
| 1375 | S | 83.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 112.4 | 178 | 74 | 0 | 0 | 0 | 0 | 111.2 | D1377 S1378 | S1375-D1377 PolarHBondContact O-N 2.96Å; S1375-S1378 PolarHBondContact N-O 3.06Å; S1375-S1378 PolarHBondContact O-N 2.73Å; S1375-S1378 PolarHBondContact O-OG 3.18Å; S1375-S1378 PolarHBondContact OG-OG 3.12Å |
| 1376 | G | 76.2 | Confident | 86.4 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -109.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1266 | V1266-G1376 WeakPolarHBondContact CG1-O 3.26Š|
| 1377 | D | 77.2 | Confident | 87.1 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 8 | -175.6 | -149.9 | 18.9 | 0 | 0 | 0 | 113.4 | S1375 G1393 | S1375-D1377 PolarHBondContact O-N 2.96Å; D1377-G1393 WeakPolarHBondContact OD1-CA 3.47Å; D1377-G1393 VanDerWaalsContact OD2-CA 3.22Å; D1377-G1393 WeakPolarHBondContact OD2-CA 3.37Å |
| 1378 | S | 87.4 | Confident | 87.6 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.1 | 178.5 | 65.5 | 0 | 0 | 0 | 0 | 112.7 | S1375 I1390 | S1375-S1378 PolarHBondContact N-O 3.06Å; S1375-S1378 PolarHBondContact O-N 2.73Å; S1375-S1378 PolarHBondContact O-OG 3.18Å; S1375-S1378 PolarHBondContact OG-OG 3.12Å; S1378-I1390 CarbonylContact C-O 3.49Å; S1378-I1390 VanDerWaalsContact CA-O 3.27Å; S1378-I1390 WeakPolarHBondContact CA-O 3.41Å |
| 1379 | V | 92.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.9 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | V1268 V1346 M1352 V1371 V1374 L1381 I1390 | V1268-V1379 HydrophobicContact CG2-CG2 4.02Å; V1346-V1379 HydrophobicContact CG2-CG2 4.16Å; M1352-V1379 HydrophobicContact SD-CG1 4.18Å; V1371-V1379 HydrophobicContact CG1-CG1 3.82Å; V1371-V1379 HydrophobicContact CG2-CG1 4.06Å; V1374-V1379 HydrophobicContact CG1-CG2 4.45Å; V1379-L1381 HydrophobicContact CG1-CD2 4.03Å; V1379-I1390 HydrophobicContact CB-CD1 4.11Å; V1379-I1390 HydrophobicContact CB-CG1 3.83Å; V1379-I1390 PolarHBondContact N-O 3.44Å; V1379-I1390 VanDerWaalsContact O-CG1 3.32Å; V1379-I1390 WeakPolarHBondContact O-CG1 3.28Å; V1379-I1390 PolarHBondContact O-N 2.93Å |
| 1380 | T | 93 | Very high | 87.8 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.7 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | V1371 T1372 A1373 R1388 V1389 | V1371-T1380 WeakPolarHBondContact CA-O 3.42Å; T1372-T1380 PolarHBondContact N-O 3.28Å; T1372-T1380 WeakPolarHBondContact OG1-CG2 3.15Å; T1372-T1380 PolarHBondContact OG1-O 3.1Å; A1373-T1380 PolarHBondContact O-N 3.14Å; T1380-R1388 CarbonylContact C-O 3.49Å; T1380-R1388 WeakPolarHBondContact CA-O 3.13Å; T1380-V1389 HydrophobicContact CG2-CG2 4.2Å |
| 1381 | L | 92.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.7 | -178 | -62.1 | -179.6 | 0 | 0 | 0 | 110.6 | M1352 F1354 W1369 T1370 V1371 V1379 T1387 R1388 I1390 | M1352-L1381 HydrophobicContact CB-CD2 4.19Å; M1352-L1381 HydrophobicContact CG-CD2 4.49Å; M1352-L1381 HydrophobicContact SD-CD2 3.93Å; F1354-L1381 HydrophobicContact CE1-CD1 4.47Å; F1354-L1381 HydrophobicContact CE2-CD1 4.19Å; F1354-L1381 HydrophobicContact CZ-CD1 3.74Å; W1369-L1381 HydrophobicContact CB-CB 3.99Å; W1369-L1381 HydrophobicContact CB-CD1 4.25Å; W1369-L1381 HydrophobicContact CB-CD2 4.25Å; W1369-L1381 HydrophobicContact CB-CG 4.39Å; W1369-L1381 HydrophobicContact CD2-CB 4.21Å; W1369-L1381 HydrophobicContact CE3-CB 3.8Å; W1369-L1381 HydrophobicContact CG-CB 4.31Å; W1369-L1381 HydrophobicContact CG-CD1 4.36Å; T1370-L1381 CarbonylContact O-C 3.59Å; T1370-L1381 WeakPolarHBondContact O-CA 3.36Å; V1371-L1381 HydrophobicContact CG2-CD2 3.81Å; V1379-L1381 HydrophobicContact CG1-CD2 4.03Å; L1381-T1387 CarbonylContact O-C 3.55Å; L1381-T1387 VanDerWaalsContact O-CA 3.25Å; L1381-T1387 WeakPolarHBondContact O-CA 3.49Å; L1381-R1388 HydrophobicContact CB-CB 4.45Å; L1381-R1388 PolarHBondContact N-O 3.34Å; L1381-R1388 PolarHBondContact O-N 3.45Å; L1381-I1390 HydrophobicContact CD1-CD1 4.08Å; L1381-I1390 HydrophobicContact CD1-CG1 4.39Å |
| 1382 | S | 92.2 | Very high | 87.5 | Confident | 23 Ų | 23 | 51 Ų | 51 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | T1370 G1384 Q1386 | T1370-S1382 PolarHBondContact N-O 2.84Å; T1370-S1382 PolarHBondContact O-N 2.84Å; S1382-G1384 PolarHBondContact OG-N 3.02Å; S1382-Q1386 WeakPolarHBondContact CA-O 3.24Å |
| 1383 | D | 84.7 | Confident | 87.1 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | trans | -103.1 | 6.7 | 169.9 | 71.2 | -1 | 0 | 0 | 0 | 112.5 | W1369 Q1385 Q1386 | W1369-D1383 HydrophobicContact CD2-CB 4.2Å; W1369-D1383 HydrophobicContact CE3-CB 3.95Å; W1369-D1383 HydrophobicContact CH2-CB 4.42Å; W1369-D1383 HydrophobicContact CZ3-CB 4.07Å; D1383-Q1385 VanDerWaalsContact C-N 3.34Å; D1383-Q1385 WeakPolarHBondContact OD1-CA 3.38Å; D1383-Q1385 PolarHBondContact OD1-N 3.45Å; D1383-Q1386 PolarHBondContact N-O 3.25Å; D1383-Q1386 WeakPolarHBondContact OD1-CG 3.39Å; D1383-Q1386 PolarHBondContact OD1-N 2.86Å; D1383-Q1386 WeakPolarHBondContact OD2-CG 3.39Å; D1383-Q1386 PolarHBondContact OD2-NE2 3.43Å | ||
| 1384 | G | 81.6 | Confident | 86.7 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 90.9 | -18.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1382 | S1382-G1384 PolarHBondContact OG-N 3.02Š|
| 1385 | Q | 80.9 | Confident | 86.5 | Confident | 188 Ų | 188 | 54.7 Ų | 54.7 | 88% | 0.879 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -109.1 | -40.6 | 174.9 | -64.2 | -171.9 | -12.1 | 0 | 0 | 112.1 | D1383 | D1383-Q1385 VanDerWaalsContact C-N 3.34Å; D1383-Q1385 WeakPolarHBondContact OD1-CA 3.38Å; D1383-Q1385 PolarHBondContact OD1-N 3.45Å |
| 1386 | Q | 84.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | trans | -128.2 | 152.5 | -177.3 | 45.5 | 174.7 | -14.8 | 0 | 0 | 110.2 | W1369 S1382 D1383 R1388 | W1369-Q1386 HydrophobicContact CH2-CB 4.46Å; W1369-Q1386 HydrophobicContact CH2-CG 3.51Å; W1369-Q1386 HydrophobicContact CZ3-CG 3.94Å; W1369-Q1386 WeakPolarHBondContact CZ3-O 3.27Å; S1382-Q1386 WeakPolarHBondContact CA-O 3.24Å; D1383-Q1386 PolarHBondContact N-O 3.25Å; D1383-Q1386 WeakPolarHBondContact OD1-CG 3.39Å; D1383-Q1386 PolarHBondContact OD1-N 2.86Å; D1383-Q1386 WeakPolarHBondContact OD2-CG 3.39Å; D1383-Q1386 PolarHBondContact OD2-NE2 3.43Å; Q1386-R1388 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 1387 | T | 88.8 | Confident | 87.2 | Confident | 95 Ų | 95 | 52 Ų | 52 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | L1381 | L1381-T1387 CarbonylContact O-C 3.55Å; L1381-T1387 VanDerWaalsContact O-CA 3.25Å; L1381-T1387 WeakPolarHBondContact O-CA 3.49Å |
| 1388 | R | 88 | Confident | 87.8 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 147.9 | 179.7 | -62.6 | -168.7 | 180 | -171.7 | 5.2 | 111.2 | D582 G1362 W1369 T1380 L1381 Q1386 | D582-R1388 WeakPolarHBondContact OD2-CG 3.36Å; G1362-R1388 VanDerWaalsContact O-CZ 3.26Å; G1362-R1388 PolarHBondContact O-NH1 3.15Å; G1362-R1388 PolarHBondContact O-NH2 3.1Å; W1369-R1388 HydrophobicContact CH2-CG 3.62Å; W1369-R1388 HydrophobicContact CZ2-CG 4.42Å; W1369-R1388 HydrophobicContact CZ3-CB 4.31Å; W1369-R1388 HydrophobicContact CZ3-CG 3.71Å; T1380-R1388 CarbonylContact C-O 3.49Å; T1380-R1388 WeakPolarHBondContact CA-O 3.13Å; L1381-R1388 HydrophobicContact CB-CB 4.45Å; L1381-R1388 PolarHBondContact N-O 3.34Å; L1381-R1388 PolarHBondContact O-N 3.45Å; Q1386-R1388 VanDerWaalsContact OE1-NH2 3.11Å |
| 1389 | V | 90.1 | Very high | 88.1 | Confident | 57 Ų | 57 | 49 Ų | 49 | 35% | 0.345 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.2 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | N584 T1380 | N584-V1389 PolarHBondContact ND2-O 3Å; T1380-V1389 HydrophobicContact CG2-CG2 4.2Å |
| 1390 | I | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 151.4 | 177.6 | 55.9 | 161.1 | 0 | 0 | 0 | 110.6 | F1354 Y1363 S1378 V1379 L1381 E1398 I1401 | F1354-I1390 HydrophobicContact CE1-CG2 4.22Å; F1354-I1390 HydrophobicContact CZ-CG2 4.27Å; Y1363-I1390 HydrophobicContact CE1-CG2 4.18Å; S1378-I1390 CarbonylContact C-O 3.49Å; S1378-I1390 VanDerWaalsContact CA-O 3.27Å; S1378-I1390 WeakPolarHBondContact CA-O 3.41Å; V1379-I1390 HydrophobicContact CB-CD1 4.11Å; V1379-I1390 HydrophobicContact CB-CG1 3.83Å; V1379-I1390 PolarHBondContact N-O 3.44Å; V1379-I1390 VanDerWaalsContact O-CG1 3.32Å; V1379-I1390 WeakPolarHBondContact O-CG1 3.28Å; V1379-I1390 PolarHBondContact O-N 2.93Å; L1381-I1390 HydrophobicContact CD1-CD1 4.08Å; L1381-I1390 HydrophobicContact CD1-CG1 4.39Å; I1390-E1398 WeakPolarHBondContact CA-OE2 3.13Å; I1390-E1398 HydrophobicContact CB-CB 4.46Å; I1390-I1401 HydrophobicContact CD1-CD1 3.98Å; I1390-I1401 HydrophobicContact CD1-CG2 4.03Å |
| 1391 | R | 90.8 | Very high | 88.1 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | trans | -131.8 | 67.3 | -177.1 | -61 | -176.5 | -175.2 | 176.6 | 3.2 | 111.2 | G1393 Q1394 E1395 E1398 | R1391-G1393 VanDerWaalsContact C-N 3.28Å; R1391-G1393 PolarHBondContact O-N 3.01Å; R1391-Q1394 HydrophobicContact CB-CB 4.46Å; R1391-Q1394 PolarHBondContact O-N 3.24Å; R1391-E1395 PolarHBondContact O-N 3.47Å; R1391-E1398 PolarHBondContact N-OE2 2.86Å | ||
| 1392 | P | 89 | Confident | 88 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.9 | -171.3 | 23.2 | -33.5 | 0 | 0 | 0 | 114.6 | V1268 P1269 Q1394 Q1399 I1401 | V1268-P1392 HydrophobicContact CB-CG 4.42Å; V1268-P1392 HydrophobicContact CG1-CB 3.81Å; V1268-P1392 HydrophobicContact CG1-CG 3.36Å; V1268-P1392 HydrophobicContact CG2-CG 4.33Å; P1269-P1392 HydrophobicContact CG-CB 4.34Å; P1392-Q1394 VanDerWaalsContact C-N 3.32Å; P1392-Q1399 HydrophobicContact CB-CG 4.09Å; P1392-Q1399 WeakPolarHBondContact O-CG 3.48Å; P1392-Q1399 PolarHBondContact O-NE2 3.31Å; P1392-I1401 HydrophobicContact CB-CD1 4.29Å; P1392-I1401 HydrophobicContact CG-CD1 4.32Å |
| 1393 | G | 85.7 | Confident | 88 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -19.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1377 R1391 | D1377-G1393 WeakPolarHBondContact OD1-CA 3.47Å; D1377-G1393 VanDerWaalsContact OD2-CA 3.22Å; D1377-G1393 WeakPolarHBondContact OD2-CA 3.37Å; R1391-G1393 VanDerWaalsContact C-N 3.28Å; R1391-G1393 PolarHBondContact O-N 3.01Å |
| 1394 | Q | 82.8 | Confident | 88.3 | Confident | 133 Ų | 133 | 44.9 Ų | 44.9 | 62% | 0.621 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -35.9 | 178.3 | -63.5 | 178.7 | -0.2 | 0 | 0 | 112.6 | R1391 P1392 | R1391-Q1394 HydrophobicContact CB-CB 4.46Å; R1391-Q1394 PolarHBondContact O-N 3.24Å; P1392-Q1394 VanDerWaalsContact C-N 3.32Å |
| 1395 | E | 84.9 | Confident | 88.8 | Confident | 32 Ų | 32 | 42 Ų | 42 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | trans | -121.7 | 110.6 | -175.1 | -69.5 | -163.4 | -144.7 | 0 | 0 | 112.5 | R583 R612 R1391 A1397 E1398 | R583-E1395 IonicContact CZ-OE1 2.62Å; R583-E1395 IonicContact CZ-OE2 3.55Å; R583-E1395 IonicContact NH1-OE1 2.62Å; R583-E1395 IonicContact NH1-OE2 2.82Å; R583-E1395 PolarHBondContact NH1-OE2 3.18Å; R583-E1395 VanDerWaalsContact NH2-CD 3.33Å; R583-E1395 IonicContact NH2-OE1 2.74Å; R583-E1395 PolarHBondContact NH2-OE1 3.21Å; R583-E1395 IonicContact NH2-OE2 3.1Å; R583-E1395 PolarHBondContact NH2-OE2 3.3Å; R583-E1395 VanDerWaalsContact NH2-OE2 3.11Å; R612-E1395 IonicContact CZ-OE2 3.41Å; R612-E1395 IonicContact NH2-OE2 3.55Å; R612-E1395 PolarHBondContact NH2-OE2 3.5Å; R1391-E1395 PolarHBondContact O-N 3.47Å; E1395-A1397 PolarHBondContact O-N 2.79Å; E1395-A1397 VanDerWaalsContact O-N 3.11Å; E1395-E1398 HydrophobicContact CB-CB 4.46Å; E1395-E1398 HydrophobicContact CB-CG 4.02Å; E1395-E1398 PolarHBondContact O-N 2.75Å | ||
| 1396 | Q | 88.5 | Confident | 89.3 | Confident | 64 Ų | 64 | 33 Ų | 33 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -58.1 | -26.5 | 175.5 | -72.6 | 176.1 | -35.6 | 0 | 0 | 113.8 | Y1301 E1398 Q1399 | Y1301-Q1396 VanDerWaalsContact CB-OE1 3.23Å; Y1301-Q1396 HydrophobicContact CD2-CB 3.64Å; Y1301-Q1396 HydrophobicContact CE2-CB 3.92Å; Y1301-Q1396 HydrophobicContact CG-CB 4.11Å; Q1396-E1398 PolarHBondContact O-N 2.95Å; Q1396-Q1399 PolarHBondContact O-N 2.93Å |
| 1397 | A | 85 | Confident | 89.4 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -65.5 | -22.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1301 E1395 | Y1301-A1397 HydrophobicContact CE2-CB 4.32Å; E1395-A1397 PolarHBondContact O-N 2.79Å; E1395-A1397 VanDerWaalsContact O-N 3.11Å |
| 1398 | E | 89.9 | Confident | 89.2 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -99 | 0.6 | -178.5 | -54.3 | -166 | 148.8 | 0 | 0 | 112.9 | R583 Y1363 I1390 R1391 E1395 Q1396 H1400 | R583-E1398 IonicContact NH2-OE1 3.75Å; Y1363-E1398 HydrophobicContact CE2-CG 4.1Å; Y1363-E1398 PolarHBondContact OH-OE1 3.28Å; I1390-E1398 WeakPolarHBondContact CA-OE2 3.13Å; I1390-E1398 HydrophobicContact CB-CB 4.46Å; R1391-E1398 PolarHBondContact N-OE2 2.86Å; E1395-E1398 HydrophobicContact CB-CB 4.46Å; E1395-E1398 HydrophobicContact CB-CG 4.02Å; E1395-E1398 PolarHBondContact O-N 2.75Å; Q1396-E1398 PolarHBondContact O-N 2.95Å; E1398-H1400 PolarHBondContact O-N 2.84Å |
| 1399 | Q | 93.1 | Very high | 88.8 | Confident | 19 Ų | 19 | 26.7 Ų | 26.7 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | trans | -78.2 | -2.4 | 176.5 | -65.7 | 177.7 | -0.7 | 0 | 0 | 113.1 | P1269 V1270 L1271 P1392 Q1396 I1401 | P1269-Q1399 HydrophobicContact CG-CG 4.47Å; V1270-Q1399 CarbonylContact C-O 3.54Å; V1270-Q1399 VanDerWaalsContact CA-O 3.25Å; V1270-Q1399 WeakPolarHBondContact CA-O 3.41Å; L1271-Q1399 HydrophobicContact CB-CB 4.3Å; L1271-Q1399 HydrophobicContact CD1-CB 4.06Å; L1271-Q1399 HydrophobicContact CG-CB 3.71Å; L1271-Q1399 PolarHBondContact N-O 3.22Å; P1392-Q1399 HydrophobicContact CB-CG 4.09Å; P1392-Q1399 WeakPolarHBondContact O-CG 3.48Å; P1392-Q1399 PolarHBondContact O-NE2 3.31Å; Q1396-Q1399 PolarHBondContact O-N 2.93Å; Q1399-I1401 PolarHBondContact O-N 2.86Å | ||
| 1400 | H | 92.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | trans | -78.3 | 62.5 | 177.6 | -69.4 | -74.4 | 0 | 0 | 0 | 111.6 | Y1301 Y1339 F1354 T1355 K1356 E1398 | Y1301-H1400 AromaticContact CE1-NE2 3.78Å; Y1301-H1400 AromaticContact CZ-NE2 3.6Å; Y1301-H1400 PolarHBondContact OH-CD2 2.89Å; Y1301-H1400 PolarHBondContact OH-NE2 3.11Å; Y1339-H1400 AromaticContact CD1-CE1 3.66Å; Y1339-H1400 AromaticContact CE1-CE1 3.37Å; Y1339-H1400 WeakPolarHBondContact CE1-CE1 3.48Å; Y1339-H1400 AromaticContact CE1-ND1 3.79Å; Y1339-H1400 AromaticContact CE2-CE1 3.93Å; Y1339-H1400 AromaticContact CZ-CE1 3.51Å; F1354-H1400 CarbonylContact C-O 3.51Å; F1354-H1400 WeakPolarHBondContact CA-O 3.43Å; T1355-H1400 PolarHBondContact N-O 2.86Å; T1355-H1400 VanDerWaalsContact OG1-CA 3.3Å; T1355-H1400 WeakPolarHBondContact OG1-CA 3.43Å; T1355-H1400 WeakPolarHBondContact OG1-CB 3.22Å; T1355-H1400 PolarHBondContact OG1-O 3.26Å; K1356-H1400 HydrophobicContact CB-CB 3.79Å; E1398-H1400 PolarHBondContact O-N 2.84Å | ||
| 1401 | I | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.3 | -175.2 | 46.5 | 161.5 | 0 | 0 | 0 | 111.2 | V1268 V1270 M1352 R1353 F1354 I1390 P1392 Q1399 | V1268-I1401 HydrophobicContact CG1-CD1 3.5Å; V1268-I1401 VanDerWaalsContact CG1-CD1 3.5Å; V1270-I1401 HydrophobicContact CB-CG1 4.49Å; V1270-I1401 HydrophobicContact CG1-CD1 4.03Å; V1270-I1401 HydrophobicContact CG1-CG1 3.76Å; M1352-I1401 HydrophobicContact CE-CB 3.77Å; M1352-I1401 HydrophobicContact CE-CD1 3.48Å; M1352-I1401 VanDerWaalsContact CE-CD1 3.48Å; M1352-I1401 HydrophobicContact CE-CG1 4.13Å; M1352-I1401 HydrophobicContact CE-CG2 4.27Å; R1353-I1401 CarbonylContact O-C 3.56Å; R1353-I1401 VanDerWaalsContact O-CA 3.25Å; R1353-I1401 WeakPolarHBondContact O-CA 3.02Å; F1354-I1401 HydrophobicContact CD1-CG2 3.63Å; F1354-I1401 HydrophobicContact CE1-CG2 3.75Å; I1390-I1401 HydrophobicContact CD1-CD1 3.98Å; I1390-I1401 HydrophobicContact CD1-CG2 4.03Å; P1392-I1401 HydrophobicContact CB-CD1 4.29Å; P1392-I1401 HydrophobicContact CG-CD1 4.32Å; Q1399-I1401 PolarHBondContact O-N 2.86Å |
| 1402 | D | 91.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 159.8 | 177.4 | -162.1 | -18.7 | 0 | 0 | 0 | 109.7 | R1244 M1352 R1353 T1355 | R1244-D1402 IonicContact CZ-OD2 2.74Å; R1244-D1402 IonicContact NH1-OD1 3.32Å; R1244-D1402 IonicContact NH1-OD2 3.79Å; R1244-D1402 PolarHBondContact NH1-OD2 3.47Å; R1244-D1402 IonicContact NH2-OD2 3.87Å; R1244-D1402 PolarHBondContact NH2-OD2 3.23Å; M1352-D1402 CarbonylContact C-O 3.3Å; M1352-D1402 VanDerWaalsContact CA-O 3.28Å; M1352-D1402 WeakPolarHBondContact CA-O 3.32Å; R1353-D1402 HydrophobicContact CG-CB 4.35Å; R1353-D1402 PolarHBondContact N-O 2.83Å; R1353-D1402 PolarHBondContact O-N 2.91Å; T1355-D1402 HydrophobicContact CG2-CB 3.86Å |
| 1403 | L | 92.1 | Very high | 86 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 145.9 | 168.8 | -67.8 | 173.3 | 0 | 0 | 0 | 110.4 | N1248 H1252 I1344 D1350 R1351 M1352 R1353 Y1405 | N1248-L1403 HydrophobicContact CB-CB 3.85Å; N1248-L1403 HydrophobicContact CB-CD1 4.18Å; N1248-L1403 PolarHBondContact ND2-O 3.01Å; H1252-L1403 HydrophobicContact CB-CD1 4.09Å; I1344-L1403 HydrophobicContact CD1-CG 4.42Å; D1350-L1403 HydrophobicContact CB-CD2 4.17Å; R1351-L1403 WeakPolarHBondContact O-CA 3.42Å; M1352-L1403 HydrophobicContact CG-CD2 4.42Å; R1353-L1403 PolarHBondContact NH2-O 2.63Å; L1403-Y1405 HydrophobicContact CB-CD2 4.31Å; L1403-Y1405 HydrophobicContact CD2-CE2 4.25Å |
| 1404 | A | 90.6 | Very high | 85.2 | Confident | 18 Ų | 18 | 21.9 Ų | 21.9 | 15% | 0.149 | 12% | 0.118 | C | C | . | . | trans | -119.4 | 27.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1351 R1353 V1368 | R1351-A1404 HydrophobicContact CB-CB 4.22Å; R1351-A1404 PolarHBondContact O-N 2.94Å; R1353-A1404 HydrophobicContact CB-CB 4.06Å; R1353-A1404 HydrophobicContact CG-CB 4.24Å; V1368-A1404 HydrophobicContact CG1-CB 4.03Å; V1368-A1404 HydrophobicContact CG2-CB 4.31Å | ||
| 1405 | Y | 92.1 | Very high | 84.8 | Confident | 8 Ų | 8 | 15.5 Ų | 15.5 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -74.1 | -47.1 | 174.5 | -59.1 | -65.7 | 0 | 0 | 0 | 112.1 | Y1223 N1248 I1251 H1252 D1350 R1351 L1403 | Y1223-Y1405 HydrophobicContact CE1-CD1 4.07Å; N1248-Y1405 WeakPolarHBondContact OD1-CB 3.5Å; N1248-Y1405 PolarHBondContact OD1-N 3.11Å; I1251-Y1405 HydrophobicContact CB-CD2 4.12Å; I1251-Y1405 HydrophobicContact CB-CG 4.25Å; I1251-Y1405 HydrophobicContact CD1-CG 4.42Å; I1251-Y1405 HydrophobicContact CG2-CD1 3.82Å; I1251-Y1405 HydrophobicContact CG2-CD2 3.75Å; I1251-Y1405 HydrophobicContact CG2-CE1 4.08Å; I1251-Y1405 HydrophobicContact CG2-CE2 4.03Å; I1251-Y1405 HydrophobicContact CG2-CG 3.63Å; H1252-Y1405 HydrophobicContact CB-CE2 4.39Å; D1350-Y1405 WeakPolarHBondContact CA-OH 3.16Å; D1350-Y1405 PolarHBondContact OD1-OH 2.92Å; R1351-Y1405 HydrophobicContact CB-CD1 4.41Å; R1351-Y1405 HydrophobicContact CB-CE1 4.18Å; R1351-Y1405 HydrophobicContact CG-CE1 4.39Å; L1403-Y1405 HydrophobicContact CB-CD2 4.31Å; L1403-Y1405 HydrophobicContact CD2-CE2 4.25Å |
| 1406 | A | 91.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1236 T1238 R1244 L1247 N1248 R1353 | I1236-A1406 HydrophobicContact CB-CB 3.99Å; I1236-A1406 HydrophobicContact CG2-CB 3.92Å; I1236-A1406 WeakPolarHBondContact O-CA 3.39Å; T1238-A1406 HydrophobicContact CG2-CB 4.48Å; R1244-A1406 WeakPolarHBondContact CD-O 3.34Å; R1244-A1406 HydrophobicContact CG-CB 3.87Å; R1244-A1406 VanDerWaalsContact CG-O 3.28Å; R1244-A1406 WeakPolarHBondContact CG-O 3.42Å; L1247-A1406 HydrophobicContact CB-CB 4.42Å; N1248-A1406 PolarHBondContact OD1-N 3.33Å; R1353-A1406 PolarHBondContact NH2-O 3.29Å |
| 1407 | I | 87.3 | Confident | 84.3 | Confident | 17 Ų | 17 | 15.5 Ų | 15.5 | 9% | 0.087 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.4 | 177.1 | -165.5 | 154.1 | 0 | 0 | 0 | 110.7 | L1235 I1236 V1237 T1238 G1411 A1412 | L1235-I1407 HydrophobicContact CD1-CG2 3.69Å; L1235-I1407 HydrophobicContact CG-CG2 4.24Å; I1236-I1407 PolarHBondContact O-N 3.05Å; V1237-I1407 CarbonylContact C-O 3.55Å; V1237-I1407 WeakPolarHBondContact CA-O 3.39Å; T1238-I1407 PolarHBondContact N-O 3.48Å; I1407-G1411 VanDerWaalsContact CD1-C 3.42Å; I1407-G1411 VanDerWaalsContact CD1-O 3.24Å; I1407-G1411 WeakPolarHBondContact CD1-O 3.42Å; I1407-A1412 HydrophobicContact CG2-CB 3.83Å |
| 1408 | T | 83.8 | Confident | 84.4 | Confident | 25 Ų | 25 | 15.9 Ų | 15.9 | 15% | 0.153 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 157 | 171.9 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | T1238 N1241 H1410 G1411 A1412 | T1238-T1408 CarbonylContact O-C 3.56Å; T1238-T1408 VanDerWaalsContact O-C 3.28Å; T1238-T1408 WeakPolarHBondContact O-CA 3.24Å; N1241-T1408 VanDerWaalsContact OD1-CG2 3.25Å; N1241-T1408 WeakPolarHBondContact OD1-CG2 3.12Å; T1408-H1410 VanDerWaalsContact C-N 3.29Å; T1408-H1410 PolarHBondContact O-N 3.38Å; T1408-G1411 CarbonylContact O-C 3.58Å; T1408-G1411 WeakPolarHBondContact O-CA 3.26Å; T1408-G1411 PolarHBondContact O-N 3.15Å; T1408-G1411 PolarHBondContact OG1-N 3.11Å; T1408-A1412 WeakPolarHBondContact O-CB 3.42Å; T1408-A1412 PolarHBondContact O-N 2.96Å |
| 1409 | A | 81.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 16.1 Ų | 16.1 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.4 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1110 V1237 T1238 H1239 G1411 A1412 Q1413 V1441 | L1110-A1409 HydrophobicContact CD1-CB 4.16Å; V1237-A1409 HydrophobicContact CG1-CB 4.12Å; T1238-A1409 PolarHBondContact O-N 3.43Å; H1239-A1409 WeakPolarHBondContact ND1-CB 3.46Å; A1409-G1411 PolarHBondContact O-N 3.35Å; A1409-A1412 WeakPolarHBondContact O-CB 3.46Å; A1409-A1412 PolarHBondContact O-N 2.95Å; A1409-Q1413 PolarHBondContact O-N 3.46Å; A1409-V1441 HydrophobicContact CB-CG1 4.25Å; A1409-V1441 VanDerWaalsContact O-CG1 3.31Å; A1409-V1441 WeakPolarHBondContact O-CG1 3.49Å |
| 1410 | H | 74.4 | Confident | 84.6 | Confident | 74 Ų | 74 | 15.2 Ų | 15.2 | 34% | 0.343 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 172.6 | -85.2 | -73.6 | 0 | 0 | 0 | 112.9 | L1110 T1408 A1412 Q1413 | L1110-H1410 HydrophobicContact CD1-CB 4.35Å; T1408-H1410 VanDerWaalsContact C-N 3.29Å; T1408-H1410 PolarHBondContact O-N 3.38Å; H1410-A1412 VanDerWaalsContact C-N 3.33Å; H1410-Q1413 WeakPolarHBondContact O-CB 3.13Å; H1410-Q1413 PolarHBondContact O-N 2.97Å |
| 1411 | G | 74.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 15 Ų | 15 | 19% | 0.186 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.9 | -22 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1035 I1407 T1408 A1409 Q1413 | R1035-G1411 WeakPolarHBondContact CD-O 3.38Å; R1035-G1411 PolarHBondContact NH1-O 3.35Å; I1407-G1411 VanDerWaalsContact CD1-C 3.42Å; I1407-G1411 VanDerWaalsContact CD1-O 3.24Å; I1407-G1411 WeakPolarHBondContact CD1-O 3.42Å; T1408-G1411 CarbonylContact O-C 3.58Å; T1408-G1411 WeakPolarHBondContact O-CA 3.26Å; T1408-G1411 PolarHBondContact O-N 3.15Å; T1408-G1411 PolarHBondContact OG1-N 3.11Å; A1409-G1411 PolarHBondContact O-N 3.35Å; G1411-Q1413 VanDerWaalsContact C-N 3.29Å |
| 1412 | A | 77 | Confident | 84.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -79.2 | -10.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1235 V1237 I1407 T1408 A1409 H1410 G1414 A1415 R1445 | L1235-A1412 HydrophobicContact CD2-CB 4.18Å; V1237-A1412 HydrophobicContact CG1-CB 4.23Å; V1237-A1412 HydrophobicContact CG2-CB 4.03Å; I1407-A1412 HydrophobicContact CG2-CB 3.83Å; T1408-A1412 WeakPolarHBondContact O-CB 3.42Å; T1408-A1412 PolarHBondContact O-N 2.96Å; A1409-A1412 WeakPolarHBondContact O-CB 3.46Å; A1409-A1412 PolarHBondContact O-N 2.95Å; H1410-A1412 VanDerWaalsContact C-N 3.33Å; A1412-G1414 PolarHBondContact O-N 2.76Å; A1412-A1415 WeakPolarHBondContact O-CA 3.46Å; A1412-A1415 WeakPolarHBondContact O-CB 3.47Å; A1412-A1415 PolarHBondContact O-N 3.49Å; A1412-R1445 WeakPolarHBondContact O-CD 3.32Å; A1412-R1445 PolarHBondContact O-NE 3.24Å |
| 1413 | Q | 75.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 126 | 179 | -166.2 | 165.4 | -4.7 | 0 | 0 | 110.8 | R1035 E1078 M1081 A1409 H1410 G1411 | R1035-Q1413 WeakPolarHBondContact CD-O 3.32Å; E1078-Q1413 HydrophobicContact CG-CG 4.09Å; E1078-Q1413 WeakPolarHBondContact OE1-CG 3.47Å; E1078-Q1413 PolarHBondContact OE1-NE2 3.4Å; M1081-Q1413 HydrophobicContact SD-CB 4.44Å; M1081-Q1413 HydrophobicContact SD-CG 4.12Å; M1081-Q1413 PolarHBondContact SD-OE1 3.41Å; A1409-Q1413 PolarHBondContact O-N 3.46Å; H1410-Q1413 WeakPolarHBondContact O-CB 3.13Å; H1410-Q1413 PolarHBondContact O-N 2.97Å; G1411-Q1413 VanDerWaalsContact C-N 3.29Å |
| 1414 | G | 69.6 | Low | 84.7 | Confident | 11 Ų | 11 | 14.4 Ų | 14.4 | 11% | 0.113 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96 | -32.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1039 A1412 | E1039-G1414 WeakPolarHBondContact OE1-CA 3.22Å; A1412-G1414 PolarHBondContact O-N 2.76Å |
| 1415 | A | 73.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -55.5 | 148 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1138 L1235 A1412 R1445 | R1138-A1415 PolarHBondContact NH1-O 3.35Å; L1235-A1415 HydrophobicContact CD2-CB 3.73Å; A1412-A1415 WeakPolarHBondContact O-CA 3.46Å; A1412-A1415 WeakPolarHBondContact O-CB 3.47Å; A1412-A1415 PolarHBondContact O-N 3.49Å; A1415-R1445 WeakPolarHBondContact O-CD 3.5Å | ||
| 1416 | S | 76.7 | Confident | 83.7 | Confident | 34 Ų | 34 | 14.5 Ų | 14.5 | 24% | 0.238 | 9% | 0.085 | C | C | . | . | trans | -149 | 115.4 | 172.3 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | R1138 R1445 | R1138-S1416 PolarHBondContact NE-OG 3.2Å; R1138-S1416 PolarHBondContact NH1-OG 2.94Å; R1138-S1416 PolarHBondContact NH2-OG 2.95Å; S1416-R1445 WeakPolarHBondContact CA-O 3.44Å | ||
| 1417 | E | 85.7 | Confident | 82.9 | Confident | 61 Ų | 61 | 18.7 Ų | 18.7 | 29% | 0.285 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 162.7 | 176 | -71.4 | -56.4 | 157.8 | 0 | 0 | 111.5 | L1235 F1419 R1445 M1446 K1447 | L1235-E1417 HydrophobicContact CB-CB 4Å; L1235-E1417 HydrophobicContact CB-CG 3.83Å; E1417-F1419 VanDerWaalsContact C-N 3.3Å; E1417-F1419 PolarHBondContact O-N 3.44Å; E1417-R1445 PolarHBondContact N-O 2.79Å; E1417-R1445 VanDerWaalsContact N-O 3.07Å; E1417-M1446 CarbonylContact O-C 3.58Å; E1417-M1446 WeakPolarHBondContact O-CA 3.48Å; E1417-K1447 WeakPolarHBondContact O-CG 3.28Å; E1417-K1447 PolarHBondContact O-N 2.99Å |
| 1418 | T | 88.8 | Confident | 82 | Confident | 19 Ų | 19 | 19.8 Ų | 19.8 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | -45.7 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | Q1233 K1447 Q1448 | Q1233-T1418 PolarHBondContact O-N 3.03Å; Q1233-T1418 PolarHBondContact OE1-OG1 2.79Å; T1418-K1447 PolarHBondContact O-N 2.82Å; T1418-Q1448 HydrophobicContact CG2-CB 4.09Å; T1418-Q1448 HydrophobicContact CG2-CG 3.85Å; T1418-Q1448 PolarHBondContact O-N 2.97Å |
| 1419 | F | 93.2 | Very high | 81.4 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.8 | -179.9 | -48.4 | -64.6 | 0 | 0 | 0 | 111.1 | V1170 A1230 Q1233 T1234 L1235 E1417 Q1448 H1449 | V1170-F1419 HydrophobicContact CG1-CD1 4.46Å; V1170-F1419 HydrophobicContact CG1-CD2 4.32Å; V1170-F1419 HydrophobicContact CG1-CE2 4.42Å; V1170-F1419 HydrophobicContact CG1-CG 4.34Å; V1170-F1419 HydrophobicContact CG2-CD1 3.86Å; V1170-F1419 HydrophobicContact CG2-CE1 4.07Å; V1170-F1419 HydrophobicContact CG2-CG 4.37Å; A1230-F1419 HydrophobicContact CB-CE2 4.17Å; Q1233-F1419 HydrophobicContact CB-CD2 4.41Å; Q1233-F1419 PolarHBondContact O-N 3.41Å; T1234-F1419 WeakPolarHBondContact CA-O 3.45Å; L1235-F1419 PolarHBondContact N-O 3.19Å; E1417-F1419 VanDerWaalsContact C-N 3.3Å; E1417-F1419 PolarHBondContact O-N 3.44Å; F1419-Q1448 HydrophobicContact CD1-CB 4.33Å; F1419-Q1448 HydrophobicContact CE1-CB 4.03Å; F1419-H1449 WeakPolarHBondContact CA-O 3.47Å; F1419-H1449 HydrophobicContact CD1-CB 4.04Å |
| 1420 | A | 92.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1235 M1446 H1449 V1450 Q1451 | L1235-A1420 CarbonylContact O-C 3.47Å; L1235-A1420 VanDerWaalsContact O-CA 3.26Å; L1235-A1420 WeakPolarHBondContact O-CA 3.5Å; A1420-M1446 HydrophobicContact CB-CB 3.98Å; A1420-H1449 PolarHBondContact N-O 3.43Å; A1420-V1450 HydrophobicContact CB-CG2 4.09Å; A1420-V1450 CarbonylContact O-C 3.56Å; A1420-V1450 WeakPolarHBondContact O-CA 3.41Å; A1420-Q1451 PolarHBondContact O-N 3Å |
| 1421 | I | 95.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | 166.8 | -56.1 | 177.2 | 0 | 0 | 0 | 106.8 | I1219 D1222 R1226 T1234 L1235 I1236 V1237 Q1451 Y1453 | I1219-I1421 HydrophobicContact CG1-CG2 4.35Å; I1219-I1421 HydrophobicContact CG2-CG2 4.1Å; D1222-I1421 HydrophobicContact CB-CD1 4.39Å; R1226-I1421 VanDerWaalsContact NH2-CG1 3.34Å; T1234-I1421 HydrophobicContact CG2-CD1 4Å; T1234-I1421 HydrophobicContact CG2-CG1 3.93Å; L1235-I1421 PolarHBondContact O-N 3.41Å; I1236-I1421 CarbonylContact C-O 3.55Å; I1236-I1421 WeakPolarHBondContact CA-O 3.47Å; I1236-I1421 HydrophobicContact CG1-CB 4.34Å; I1236-I1421 HydrophobicContact CG1-CD1 4.36Å; I1236-I1421 HydrophobicContact CG2-CB 4.46Å; V1237-I1421 PolarHBondContact N-O 3.26Å; I1421-Q1451 CarbonylContact C-O 3.58Å; I1421-Q1451 VanDerWaalsContact CA-O 3.28Å; I1421-Q1451 WeakPolarHBondContact CA-O 3.4Å; I1421-Q1451 HydrophobicContact CG1-CB 4.29Å; I1421-Q1451 HydrophobicContact CG2-CB 4.47Å; I1421-Y1453 HydrophobicContact CG2-CD2 3.73Å; I1421-Y1453 HydrophobicContact CG2-CE2 3.83Å |
| 1422 | A | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1424 A1442 Q1451 Y1453 | A1422-E1424 HydrophobicContact CB-CG 4.25Å; A1422-A1442 HydrophobicContact CB-CB 4.12Å; A1422-Q1451 PolarHBondContact N-O 3.16Å; A1422-Y1453 PolarHBondContact O-N 2.8Å |
| 1423 | L | 92.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.2 | 167.8 | 171.3 | 59.7 | 0 | 0 | 0 | 108.8 | L1215 Y1216 I1219 V1237 T1238 D1243 L1247 | L1215-L1423 HydrophobicContact CD1-CD1 4.2Å; L1215-L1423 HydrophobicContact CD2-CD1 3.65Å; L1215-L1423 HydrophobicContact CG-CD1 3.97Å; Y1216-L1423 HydrophobicContact CD1-CD2 4.39Å; Y1216-L1423 HydrophobicContact CE1-CD2 3.86Å; I1219-L1423 HydrophobicContact CD1-CB 3.92Å; I1219-L1423 HydrophobicContact CD1-CD1 3.9Å; I1219-L1423 HydrophobicContact CD1-CD2 4.32Å; I1219-L1423 HydrophobicContact CD1-CG 4.25Å; V1237-L1423 PolarHBondContact O-N 2.82Å; T1238-L1423 HydrophobicContact CG2-CB 4.2Å; T1238-L1423 HydrophobicContact CG2-CD2 4.06Å; D1243-L1423 HydrophobicContact CB-CD2 3.85Å; L1247-L1423 HydrophobicContact CD1-CD2 4.14Å |
| 1424 | E | 89.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.6 | -175.4 | -68.5 | -65.2 | 164.3 | 0 | 0 | 110.2 | H1239 A1422 A1442 V1452 Y1453 T1454 W1460 | H1239-E1424 IonicContact CD2-OE2 3.25Å; H1239-E1424 IonicContact CE1-OE1 2.89Å; H1239-E1424 IonicContact CE1-OE2 3.96Å; H1239-E1424 IonicContact NE2-OE1 3.79Å; H1239-E1424 PolarHBondContact NE2-OE1 2.9Å; H1239-E1424 IonicContact NE2-OE2 3.55Å; H1239-E1424 PolarHBondContact NE2-OE2 3.2Å; A1422-E1424 HydrophobicContact CB-CG 4.25Å; E1424-A1442 WeakPolarHBondContact OE1-CB 3.38Å; E1424-V1452 HydrophobicContact CB-CG1 4.09Å; E1424-V1452 HydrophobicContact CG-CG1 3.91Å; E1424-Y1453 PolarHBondContact N-O 3.24Å; E1424-T1454 WeakPolarHBondContact O-CA 3.43Å; E1424-T1454 VanDerWaalsContact O-CB 3.29Å; E1424-T1454 WeakPolarHBondContact O-CB 3.33Å; E1424-T1454 PolarHBondContact O-OG1 2.57Å; E1424-W1460 HydrophobicContact CB-CD2 4.06Å; E1424-W1460 HydrophobicContact CB-CH2 4.19Å; E1424-W1460 HydrophobicContact CB-CZ2 3.69Å; E1424-W1460 VanDerWaalsContact CD-CZ2 3.46Å; E1424-W1460 HydrophobicContact CG-CH2 3.9Å; E1424-W1460 HydrophobicContact CG-CZ2 3.37Å; E1424-W1460 PolarHBondContact OE2-NE1 3.05Å |
| 1425 | G | 81.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | 174.6 | 174.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1430 D1455 | G1425-R1430 WeakPolarHBondContact O-CB 3.38Å; G1425-D1455 VanDerWaalsContact CA-CG 3.46Å; G1425-D1455 WeakPolarHBondContact CA-OD1 3.46Å; G1425-D1455 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 1426 | T | 80.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | trans | -129.5 | 10.3 | -176.9 | 56.5 | 0 | 0 | 0 | 0 | 114 | K1431 A1434 D1455 W1460 A1463 | T1426-K1431 WeakPolarHBondContact O-CB 3.39Å; T1426-A1434 HydrophobicContact CG2-CB 4.05Å; T1426-D1455 VanDerWaalsContact N-CG 3.33Å; T1426-D1455 PolarHBondContact N-OD1 3.41Å; T1426-D1455 PolarHBondContact N-OD2 2.98Å; T1426-W1460 HydrophobicContact CG2-CB 4.07Å; T1426-A1463 HydrophobicContact CG2-CB 4.04Å | ||
| 1427 | E | 74.1 | Confident | 82.3 | Confident | 90 Ų | 90 | 34.9 Ų | 34.9 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -86 | 146.3 | 171.6 | -161.3 | 168.8 | -175.4 | 0 | 0 | 111.5 | H1188 N1429 R1430 D1455 | H1188-E1427 IonicContact CE1-OE1 2.88Å; H1188-E1427 IonicContact CG-OE1 3.91Å; H1188-E1427 IonicContact ND1-OE1 3.47Å; H1188-E1427 PolarHBondContact ND1-OE1 3.34Å; H1188-E1427 IonicContact ND1-OE2 2.76Å; E1427-N1429 PolarHBondContact O-N 3.43Å; E1427-R1430 WeakPolarHBondContact O-CB 3.13Å; E1427-R1430 PolarHBondContact O-N 2.91Å; E1427-R1430 VanDerWaalsContact O-N 3.16Å; E1427-D1455 WeakPolarHBondContact CA-OD2 3.14Å; E1427-D1455 HydrophobicContact CB-CB 4.22Å; E1427-D1455 WeakPolarHBondContact CB-OD2 3.43Å; E1427-D1455 PolarHBondContact N-OD2 3.32Å |
| 1428 | G | 70 | Confident | 82.2 | Confident | 39 Ų | 39 | 32.6 Ų | 32.6 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | 51.6 | -132.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1430 | G1428-R1430 VanDerWaalsContact C-N 3.28Å; G1428-R1430 PolarHBondContact O-N 3Å |
| 1429 | N | 69.4 | Low | 82 | Confident | 96 Ų | 96 | 31.7 Ų | 31.7 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -71.6 | -18.4 | -178.3 | -69.9 | -34.8 | 0 | 0 | 0 | 113.5 | L1240 E1427 K1431 L1432 | L1240-N1429 HydrophobicContact CD1-CB 3.65Å; L1240-N1429 HydrophobicContact CD2-CB 4.29Å; E1427-N1429 PolarHBondContact O-N 3.43Å; N1429-K1431 PolarHBondContact O-N 2.93Å; N1429-L1432 PolarHBondContact O-N 3.28Å |
| 1430 | R | 77.9 | Confident | 81.8 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -64.4 | -31.5 | -178.4 | -63.1 | -176.1 | -169.1 | 134.9 | 7.6 | 112.3 | Y1216 L1240 D1243 G1425 E1427 G1428 L1432 M1433 A1434 D1455 | Y1216-R1430 VanDerWaalsContact CZ-NH2 3.3Å; Y1216-R1430 PolarHBondContact OH-NH2 3.45Å; L1240-R1430 HydrophobicContact CD1-CG 3.75Å; L1240-R1430 HydrophobicContact CG-CG 4.34Å; D1243-R1430 IonicContact OD1-CZ 3.68Å; D1243-R1430 IonicContact OD1-NE 3.33Å; D1243-R1430 PolarHBondContact OD1-NE 2.8Å; D1243-R1430 IonicContact OD1-NH2 3.87Å; D1243-R1430 PolarHBondContact OD1-NH2 3.48Å; D1243-R1430 IonicContact OD2-CZ 3.33Å; D1243-R1430 IonicContact OD2-NE 2.8Å; D1243-R1430 PolarHBondContact OD2-NE 3.46Å; D1243-R1430 IonicContact OD2-NH2 2.96Å; G1425-R1430 WeakPolarHBondContact O-CB 3.38Å; E1427-R1430 WeakPolarHBondContact O-CB 3.13Å; E1427-R1430 PolarHBondContact O-N 2.91Å; E1427-R1430 VanDerWaalsContact O-N 3.16Å; G1428-R1430 VanDerWaalsContact C-N 3.28Å; G1428-R1430 PolarHBondContact O-N 3Å; R1430-L1432 PolarHBondContact O-N 2.95Å; R1430-L1432 VanDerWaalsContact O-N 3.11Å; R1430-M1433 CarbonylContact O-C 3.32Å; R1430-M1433 WeakPolarHBondContact O-CA 3.38Å; R1430-M1433 PolarHBondContact O-N 3.4Å; R1430-A1434 PolarHBondContact O-N 2.95Å; R1430-D1455 IonicContact NH1-OD2 3.61Å |
| 1431 | K | 74.9 | Confident | 81.6 | Confident | 94 Ų | 94 | 31.3 Ų | 31.3 | 41% | 0.409 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -52.8 | -34.7 | 176.3 | -168.9 | 175.1 | 179.3 | 173.6 | 0 | 113.9 | T1426 N1429 M1433 | T1426-K1431 WeakPolarHBondContact O-CB 3.39Å; N1429-K1431 PolarHBondContact O-N 2.93Å; K1431-M1433 VanDerWaalsContact C-N 3.26Å; K1431-M1433 PolarHBondContact O-N 2.92Å |
| 1432 | L | 68 | Low | 81.1 | Confident | 137 Ų | 137 | 31.3 Ų | 31.3 | 72% | 0.717 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -74.3 | -21.5 | -179.3 | -62.6 | 165.5 | 0 | 0 | 0 | 112 | N1429 R1430 | N1429-L1432 PolarHBondContact O-N 3.28Å; R1430-L1432 PolarHBondContact O-N 2.95Å; R1430-L1432 VanDerWaalsContact O-N 3.11Å |
| 1433 | M | 72.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 31.6 Ų | 31.6 | 43% | 0.429 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -9.2 | -179.4 | -57 | -61.1 | 121.9 | 0 | 0 | 112.4 | H1239 L1240 R1430 K1431 G1435 S1438 | H1239-M1433 HydrophobicContact CB-CB 3.9Å; H1239-M1433 HydrophobicContact CB-CG 4.39Å; L1240-M1433 HydrophobicContact CD2-CG 4.08Å; R1430-M1433 CarbonylContact O-C 3.32Å; R1430-M1433 WeakPolarHBondContact O-CA 3.38Å; R1430-M1433 PolarHBondContact O-N 3.4Å; K1431-M1433 VanDerWaalsContact C-N 3.26Å; K1431-M1433 PolarHBondContact O-N 2.92Å; M1433-G1435 VanDerWaalsContact C-N 3.26Å; M1433-G1435 PolarHBondContact O-N 3.24Å; M1433-S1438 WeakPolarHBondContact O-CB 3.25Å; M1433-S1438 PolarHBondContact O-OG 3.27Å |
| 1434 | A | 75.6 | Confident | 80.6 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | trans | -72.9 | 75.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1426 R1430 A1463 | T1426-A1434 HydrophobicContact CG2-CB 4.05Å; R1430-A1434 PolarHBondContact O-N 2.95Å; A1434-A1463 HydrophobicContact CB-CB 3.93Å | ||
| 1435 | G | 81.8 | Confident | 80.4 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -118.8 | 171.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1433 E1437 S1438 A1439 | M1433-G1435 VanDerWaalsContact C-N 3.26Å; M1433-G1435 PolarHBondContact O-N 3.24Å; G1435-E1437 PolarHBondContact O-N 3.26Å; G1435-S1438 PolarHBondContact O-N 3.45Å; G1435-A1439 PolarHBondContact O-N 2.89Å |
| 1436 | F | 86 | Confident | 80.5 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.3 | 174.4 | -90.7 | 0 | 0 | 0 | 112.4 | D1108 L1150 R1153 S1438 A1439 Y1440 I1464 | D1108-F1436 HydrophobicContact CB-CE1 4.15Å; L1150-F1436 HydrophobicContact CD1-CD2 4.47Å; L1150-F1436 HydrophobicContact CD1-CE2 3.89Å; L1150-F1436 HydrophobicContact CG-CE2 4.1Å; L1150-F1436 HydrophobicContact CG-CZ 4.39Å; L1150-F1436 WeakPolarHBondContact O-CE2 3.26Å; L1150-F1436 WeakPolarHBondContact O-CZ 3.4Å; R1153-F1436 VanDerWaalsContact CD-CE2 3.45Å; F1436-S1438 VanDerWaalsContact C-N 3.28Å; F1436-S1438 PolarHBondContact O-N 2.74Å; F1436-A1439 PolarHBondContact O-N 2.98Å; F1436-Y1440 HydrophobicContact CE1-CG 4.24Å; F1436-Y1440 HydrophobicContact CZ-CG 4.42Å; F1436-Y1440 WeakPolarHBondContact O-CB 3.38Å; F1436-Y1440 PolarHBondContact O-N 2.99Å; F1436-I1464 HydrophobicContact CB-CG2 3.98Å; F1436-I1464 HydrophobicContact CD2-CG2 3.91Å; F1436-I1464 HydrophobicContact CG-CG2 4.45Å |
| 1437 | E | 84.8 | Confident | 80.9 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | -175.7 | -63.8 | 76.2 | -169.3 | 0 | 0 | 110.5 | Q1109 L1110 G1435 Y1440 V1441 | Q1109-E1437 WeakPolarHBondContact O-CG 3.48Å; L1110-E1437 HydrophobicContact CD2-CB 4.2Å; G1435-E1437 PolarHBondContact O-N 3.26Å; E1437-Y1440 PolarHBondContact O-N 2.62Å; E1437-V1441 WeakPolarHBondContact O-CB 3.36Å; E1437-V1441 WeakPolarHBondContact O-CG2 3.27Å; E1437-V1441 PolarHBondContact O-N 3.25Å |
| 1438 | S | 83.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | M1433 G1435 F1436 V1441 A1442 | M1433-S1438 WeakPolarHBondContact O-CB 3.25Å; M1433-S1438 PolarHBondContact O-OG 3.27Å; G1435-S1438 PolarHBondContact O-N 3.45Å; F1436-S1438 VanDerWaalsContact C-N 3.28Å; F1436-S1438 PolarHBondContact O-N 2.74Å; S1438-V1441 PolarHBondContact O-N 2.85Å; S1438-A1442 PolarHBondContact O-N 2.84Å |
| 1439 | A | 86.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1435 F1436 V1441 A1442 L1443 W1460 I1464 | G1435-A1439 PolarHBondContact O-N 2.89Å; F1436-A1439 PolarHBondContact O-N 2.98Å; A1439-V1441 VanDerWaalsContact C-N 3.33Å; A1439-V1441 PolarHBondContact O-N 2.81Å; A1439-A1442 PolarHBondContact O-N 2.82Å; A1439-L1443 VanDerWaalsContact O-CB 3.26Å; A1439-L1443 WeakPolarHBondContact O-CB 3.19Å; A1439-L1443 WeakPolarHBondContact O-CG 3.42Å; A1439-L1443 PolarHBondContact O-N 3.41Å; A1439-W1460 HydrophobicContact CB-CZ2 3.76Å; A1439-I1464 HydrophobicContact CB-CD1 3.62Å; A1439-I1464 HydrophobicContact CB-CG1 4.13Å |
| 1440 | Y | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.4 | -178.7 | -118 | 0 | 0 | 0 | 111.6 | A1001 D1106 D1108 Q1109 V1147 L1150 I1151 F1436 E1437 S1444 | A1001-Y1440 HydrophobicContact CB-CE1 4.21Å; A1001-Y1440 WeakPolarHBondContact CB-OH 3.4Å; A1001-Y1440 PolarHBondContact N-OH 3.24Å; D1106-Y1440 WeakPolarHBondContact OD2-CE1 3.41Å; D1106-Y1440 PolarHBondContact OD2-OH 3.01Å; D1108-Y1440 HydrophobicContact CB-CD1 4.21Å; D1108-Y1440 HydrophobicContact CB-CE1 4.15Å; D1108-Y1440 WeakPolarHBondContact O-CD1 3.29Å; Q1109-Y1440 HydrophobicContact CG-CD1 3.74Å; Q1109-Y1440 HydrophobicContact CG-CE1 3.58Å; V1147-Y1440 HydrophobicContact CG1-CE2 4.18Å; L1150-Y1440 HydrophobicContact CD2-CD2 3.86Å; L1150-Y1440 HydrophobicContact CG-CD2 4Å; I1151-Y1440 HydrophobicContact CD1-CE2 4.17Å; I1151-Y1440 HydrophobicContact CG1-CD2 4.42Å; I1151-Y1440 HydrophobicContact CG1-CE2 3.49Å; I1151-Y1440 VanDerWaalsContact CG1-CE2 3.49Å; F1436-Y1440 HydrophobicContact CE1-CG 4.24Å; F1436-Y1440 HydrophobicContact CZ-CG 4.42Å; F1436-Y1440 WeakPolarHBondContact O-CB 3.38Å; F1436-Y1440 PolarHBondContact O-N 2.99Å; E1437-Y1440 PolarHBondContact O-N 2.62Å; Y1440-S1444 WeakPolarHBondContact O-CB 3.39Å; Y1440-S1444 PolarHBondContact O-N 3.13Å; Y1440-S1444 PolarHBondContact O-OG 2.83Å |
| 1441 | V | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.5 | 162.4 | 0 | 0 | 0 | 0 | 111.5 | Q1109 L1110 A1409 E1437 S1438 A1439 R1445 | Q1109-V1441 HydrophobicContact CB-CG2 3.95Å; Q1109-V1441 HydrophobicContact CG-CG2 4.07Å; L1110-V1441 HydrophobicContact CB-CG2 4.39Å; L1110-V1441 HydrophobicContact CD1-CB 4.18Å; L1110-V1441 HydrophobicContact CD1-CG1 3.97Å; L1110-V1441 HydrophobicContact CD1-CG2 3.98Å; L1110-V1441 HydrophobicContact CG-CB 4.26Å; L1110-V1441 HydrophobicContact CG-CG2 3.72Å; A1409-V1441 HydrophobicContact CB-CG1 4.25Å; A1409-V1441 VanDerWaalsContact O-CG1 3.31Å; A1409-V1441 WeakPolarHBondContact O-CG1 3.49Å; E1437-V1441 WeakPolarHBondContact O-CB 3.36Å; E1437-V1441 WeakPolarHBondContact O-CG2 3.27Å; E1437-V1441 PolarHBondContact O-N 3.25Å; S1438-V1441 PolarHBondContact O-N 2.85Å; A1439-V1441 VanDerWaalsContact C-N 3.33Å; A1439-V1441 PolarHBondContact O-N 2.81Å; V1441-R1445 VanDerWaalsContact CG2-NH2 3.34Å; V1441-R1445 WeakPolarHBondContact O-CD 3.49Å; V1441-R1445 WeakPolarHBondContact O-CG 3.43Å; V1441-R1445 PolarHBondContact O-NE 3.43Å |
| 1442 | A | 84.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.6 | -44.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1237 A1422 E1424 S1438 A1439 S1444 | V1237-A1442 HydrophobicContact CG1-CB 4.12Å; A1422-A1442 HydrophobicContact CB-CB 4.12Å; E1424-A1442 WeakPolarHBondContact OE1-CB 3.38Å; S1438-A1442 PolarHBondContact O-N 2.84Å; A1439-A1442 PolarHBondContact O-N 2.82Å; A1442-S1444 VanDerWaalsContact C-N 3.31Å; A1442-S1444 PolarHBondContact O-N 3.13Å |
| 1443 | L | 88.5 | Confident | 86.8 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 7.8 | -173.6 | -56.4 | 177.6 | 0 | 0 | 0 | 114.4 | L1150 L1162 A1439 M1446 V1450 V1452 W1460 | L1150-L1443 HydrophobicContact CD2-CB 3.93Å; L1150-L1443 HydrophobicContact CD2-CD1 3.92Å; L1162-L1443 HydrophobicContact CD1-CD1 4.23Å; L1162-L1443 HydrophobicContact CD1-CD2 4.06Å; A1439-L1443 VanDerWaalsContact O-CB 3.26Å; A1439-L1443 WeakPolarHBondContact O-CB 3.19Å; A1439-L1443 WeakPolarHBondContact O-CG 3.42Å; A1439-L1443 PolarHBondContact O-N 3.41Å; L1443-M1446 WeakPolarHBondContact O-CE 3.43Å; L1443-V1450 HydrophobicContact CD2-CG2 4.29Å; L1443-V1452 HydrophobicContact CD2-CG2 3.35Å; L1443-W1460 HydrophobicContact CD1-CH2 3.95Å; L1443-W1460 HydrophobicContact CD1-CZ2 4.45Å |
| 1444 | S | 88.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 2.3 | 178.4 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | Q1139 Y1440 A1442 | Q1139-S1444 PolarHBondContact NE2-O 2.84Å; Y1440-S1444 WeakPolarHBondContact O-CB 3.39Å; Y1440-S1444 PolarHBondContact O-N 3.13Å; Y1440-S1444 PolarHBondContact O-OG 2.83Å; A1442-S1444 VanDerWaalsContact C-N 3.31Å; A1442-S1444 PolarHBondContact O-N 3.13Å |
| 1445 | R | 84 | Confident | 88.2 | Confident | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -84.8 | -16.5 | -175.7 | -53.1 | -57.9 | 162.6 | -170.1 | -1.7 | 114.9 | L1235 A1412 A1415 S1416 E1417 V1441 | L1235-R1445 HydrophobicContact CD2-CB 3.99Å; L1235-R1445 HydrophobicContact CD2-CG 4.29Å; A1412-R1445 WeakPolarHBondContact O-CD 3.32Å; A1412-R1445 PolarHBondContact O-NE 3.24Å; A1415-R1445 WeakPolarHBondContact O-CD 3.5Å; S1416-R1445 WeakPolarHBondContact CA-O 3.44Å; E1417-R1445 PolarHBondContact N-O 2.79Å; E1417-R1445 VanDerWaalsContact N-O 3.07Å; V1441-R1445 VanDerWaalsContact CG2-NH2 3.34Å; V1441-R1445 WeakPolarHBondContact O-CD 3.49Å; V1441-R1445 WeakPolarHBondContact O-CG 3.43Å; V1441-R1445 PolarHBondContact O-NE 3.43Å |
| 1446 | M | 85.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 155.6 | -179.2 | 69.6 | -64.2 | -143.6 | 0 | 0 | 113.5 | L1143 L1162 E1417 A1420 L1443 H1449 V1450 | L1143-M1446 HydrophobicContact CD1-CG 3.93Å; L1162-M1446 HydrophobicContact CD2-CE 3.71Å; E1417-M1446 CarbonylContact O-C 3.58Å; E1417-M1446 WeakPolarHBondContact O-CA 3.48Å; A1420-M1446 HydrophobicContact CB-CB 3.98Å; L1443-M1446 WeakPolarHBondContact O-CE 3.43Å; M1446-H1449 WeakPolarHBondContact CB-O 3.35Å; M1446-V1450 HydrophobicContact CB-CB 4.42Å; M1446-V1450 HydrophobicContact CE-CB 3.38Å; M1446-V1450 HydrophobicContact CE-CG1 3.19Å; M1446-V1450 HydrophobicContact CE-CG2 4.18Å; M1446-V1450 HydrophobicContact CG-CB 3.95Å; M1446-V1450 HydrophobicContact SD-CB 4.02Å; M1446-V1450 HydrophobicContact SD-CG1 4.46Å |
| 1447 | K | 87.7 | Confident | 88.5 | Confident | 85 Ų | 85 | 18 Ų | 18 | 37% | 0.37 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -40.7 | 168.2 | -61.5 | 172.1 | -174.9 | 169.5 | 0 | 112.3 | R1138 Q1139 T1140 E1417 T1418 | R1138-K1447 HydrophobicContact CG-CG 3.81Å; Q1139-K1447 WeakPolarHBondContact CA-O 3.43Å; T1140-K1447 PolarHBondContact N-O 3.31Å; T1140-K1447 VanDerWaalsContact N-O 3.09Å; E1417-K1447 WeakPolarHBondContact O-CG 3.28Å; E1417-K1447 PolarHBondContact O-N 2.99Å; T1418-K1447 PolarHBondContact O-N 2.82Å |
| 1448 | Q | 89.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 23.2 Ų | 23.2 | 41% | 0.407 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -37.2 | -172.1 | -68.8 | -172.8 | -10.8 | 0 | 0 | 114.6 | T1140 L1143 T1418 F1419 | T1140-Q1448 HydrophobicContact CG2-CG 4.27Å; L1143-Q1448 WeakPolarHBondContact CD1-O 3.32Å; T1418-Q1448 HydrophobicContact CG2-CB 4.09Å; T1418-Q1448 HydrophobicContact CG2-CG 3.85Å; T1418-Q1448 PolarHBondContact O-N 2.97Å; F1419-Q1448 HydrophobicContact CD1-CB 4.33Å; F1419-Q1448 HydrophobicContact CE1-CB 4.03Å |
| 1449 | H | 92.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 145.1 | -179.7 | 173 | -97.6 | 0 | 0 | 0 | 112 | V1170 S1182 F1419 A1420 M1446 Q1451 | V1170-H1449 HydrophobicContact CG2-CB 4.13Å; V1170-H1449 WeakPolarHBondContact CG2-ND1 3.49Å; S1182-H1449 PolarHBondContact OG-NE2 3.15Å; F1419-H1449 WeakPolarHBondContact CA-O 3.47Å; F1419-H1449 HydrophobicContact CD1-CB 4.04Å; A1420-H1449 PolarHBondContact N-O 3.43Å; M1446-H1449 WeakPolarHBondContact CB-O 3.35Å; H1449-Q1451 PolarHBondContact CE1-OE1 3.49Å |
| 1450 | V | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.1 | 166.2 | 67.8 | 0 | 0 | 0 | 0 | 109 | L1162 A1420 L1443 M1446 V1452 | L1162-V1450 HydrophobicContact CB-CG1 4.46Å; L1162-V1450 HydrophobicContact CD1-CG1 3.83Å; L1162-V1450 HydrophobicContact CD2-CG1 3.73Å; L1162-V1450 HydrophobicContact CG-CG1 4.21Å; A1420-V1450 HydrophobicContact CB-CG2 4.09Å; A1420-V1450 CarbonylContact O-C 3.56Å; A1420-V1450 WeakPolarHBondContact O-CA 3.41Å; L1443-V1450 HydrophobicContact CD2-CG2 4.29Å; M1446-V1450 HydrophobicContact CB-CB 4.42Å; M1446-V1450 HydrophobicContact CE-CB 3.38Å; M1446-V1450 HydrophobicContact CE-CG1 3.19Å; M1446-V1450 HydrophobicContact CE-CG2 4.18Å; M1446-V1450 HydrophobicContact CG-CB 3.95Å; M1446-V1450 HydrophobicContact SD-CB 4.02Å; M1446-V1450 HydrophobicContact SD-CG1 4.46Å; V1450-V1452 HydrophobicContact CG1-CG2 4.36Å; V1450-V1452 HydrophobicContact CG2-CG2 4.14Å |
| 1451 | Q | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.4 | 163.9 | -171.7 | 66.7 | 32.9 | 0 | 0 | 108.8 | P1179 H1181 S1182 T1184 D1222 A1420 I1421 A1422 H1449 Y1453 | P1179-Q1451 HydrophobicContact CG-CG 4.38Å; H1181-Q1451 PolarHBondContact O-NE2 3.31Å; S1182-Q1451 CarbonylContact O-C 3.49Å; S1182-Q1451 WeakPolarHBondContact O-CA 3.37Å; S1182-Q1451 PolarHBondContact O-NE2 3.34Å; T1184-Q1451 PolarHBondContact OG1-NE2 2.94Å; T1184-Q1451 VanDerWaalsContact OG1-NE2 3.13Å; D1222-Q1451 WeakPolarHBondContact OD2-CG 3.44Å; A1420-Q1451 PolarHBondContact O-N 3Å; I1421-Q1451 CarbonylContact C-O 3.58Å; I1421-Q1451 VanDerWaalsContact CA-O 3.28Å; I1421-Q1451 WeakPolarHBondContact CA-O 3.4Å; I1421-Q1451 HydrophobicContact CG1-CB 4.29Å; I1421-Q1451 HydrophobicContact CG2-CB 4.47Å; A1422-Q1451 PolarHBondContact N-O 3.16Å; H1449-Q1451 PolarHBondContact CE1-OE1 3.49Å; Q1451-Y1453 HydrophobicContact CB-CE2 4.26Å; Q1451-Y1453 HydrophobicContact CG-CD2 3.89Å; Q1451-Y1453 HydrophobicContact CG-CE1 4.38Å; Q1451-Y1453 HydrophobicContact CG-CE2 3.26Å |
| 1452 | V | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.8 | 174.5 | -174 | 0 | 0 | 0 | 0 | 108.6 | S1182 V1183 T1184 E1424 L1443 V1450 W1460 | S1182-V1452 PolarHBondContact O-N 3Å; V1183-V1452 WeakPolarHBondContact CA-O 3.3Å; V1183-V1452 HydrophobicContact CG1-CB 4.33Å; V1183-V1452 HydrophobicContact CG2-CB 4.28Å; V1183-V1452 HydrophobicContact CG2-CG2 4.4Å; T1184-V1452 PolarHBondContact N-O 3.47Å; E1424-V1452 HydrophobicContact CB-CG1 4.09Å; E1424-V1452 HydrophobicContact CG-CG1 3.91Å; L1443-V1452 HydrophobicContact CD2-CG2 3.35Å; V1450-V1452 HydrophobicContact CG1-CG2 4.36Å; V1450-V1452 HydrophobicContact CG2-CG2 4.14Å; V1452-W1460 HydrophobicContact CG1-CH2 4.17Å; V1452-W1460 HydrophobicContact CG1-CZ3 4.3Å |
| 1453 | Y | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.9 | 170.6 | -70 | -76.4 | 0 | 0 | 0 | 109.2 | W1177 T1184 F1186 A1218 I1219 D1222 I1421 A1422 E1424 Q1451 | W1177-Y1453 HydrophobicContact CH2-CE1 4.2Å; W1177-Y1453 WeakPolarHBondContact CZ3-OH 3.41Å; T1184-Y1453 HydrophobicContact CG2-CD1 4.42Å; T1184-Y1453 HydrophobicContact CG2-CE1 4.33Å; T1184-Y1453 WeakPolarHBondContact O-CA 3.29Å; F1186-Y1453 HydrophobicContact CD2-CD1 4.21Å; F1186-Y1453 HydrophobicContact CE2-CD1 4.16Å; F1186-Y1453 HydrophobicContact CE2-CE1 4.19Å; A1218-Y1453 HydrophobicContact CB-CD1 4.14Å; A1218-Y1453 HydrophobicContact CB-CE1 3.85Å; I1219-Y1453 HydrophobicContact CB-CD2 4.41Å; I1219-Y1453 HydrophobicContact CD1-CD2 4.33Å; I1219-Y1453 HydrophobicContact CD1-CG 4.47Å; I1219-Y1453 HydrophobicContact CG1-CD2 3.36Å; I1219-Y1453 HydrophobicContact CG1-CE2 3.95Å; I1219-Y1453 HydrophobicContact CG1-CG 3.76Å; D1222-Y1453 HydrophobicContact CB-CE2 4.25Å; D1222-Y1453 WeakPolarHBondContact CB-OH 3.43Å; D1222-Y1453 WeakPolarHBondContact OD2-CE2 3.37Å; D1222-Y1453 PolarHBondContact OD2-OH 2.85Å; I1421-Y1453 HydrophobicContact CG2-CD2 3.73Å; I1421-Y1453 HydrophobicContact CG2-CE2 3.83Å; A1422-Y1453 PolarHBondContact O-N 2.8Å; E1424-Y1453 PolarHBondContact N-O 3.24Å; Q1451-Y1453 HydrophobicContact CB-CE2 4.26Å; Q1451-Y1453 HydrophobicContact CG-CD2 3.89Å; Q1451-Y1453 HydrophobicContact CG-CE1 4.38Å; Q1451-Y1453 HydrophobicContact CG-CE2 3.26Å |
| 1454 | T | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.8 | -179.5 | -167.8 | 0 | 0 | 0 | 0 | 114.8 | T1184 E1185 F1186 E1424 R1457 | T1184-T1454 PolarHBondContact O-N 3.27Å; E1185-T1454 CarbonylContact C-O 3.59Å; E1185-T1454 VanDerWaalsContact CA-O 3.26Å; E1185-T1454 WeakPolarHBondContact CA-O 3.41Å; E1185-T1454 HydrophobicContact CB-CG2 4.28Å; E1185-T1454 HydrophobicContact CG-CG2 4.38Å; F1186-T1454 PolarHBondContact N-O 3.42Å; E1424-T1454 WeakPolarHBondContact O-CA 3.43Å; E1424-T1454 VanDerWaalsContact O-CB 3.29Å; E1424-T1454 WeakPolarHBondContact O-CB 3.33Å; E1424-T1454 PolarHBondContact O-OG1 2.57Å; T1454-R1457 HydrophobicContact CG2-CB 3.94Å |
| 1455 | D | 86.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -75.6 | -34 | 174.3 | 53.2 | 22.1 | 0 | 0 | 0 | 112.5 | S1187 L1215 G1425 T1426 E1427 R1430 | S1187-D1455 VanDerWaalsContact CA-O 3.23Å; S1187-D1455 WeakPolarHBondContact CA-O 3.44Å; S1187-D1455 VanDerWaalsContact CB-O 3.3Å; S1187-D1455 WeakPolarHBondContact CB-O 3.29Å; L1215-D1455 HydrophobicContact CD2-CB 4.33Å; G1425-D1455 VanDerWaalsContact CA-CG 3.46Å; G1425-D1455 WeakPolarHBondContact CA-OD1 3.46Å; G1425-D1455 WeakPolarHBondContact CA-OD2 3.48Å; T1426-D1455 VanDerWaalsContact N-CG 3.33Å; T1426-D1455 PolarHBondContact N-OD1 3.41Å; T1426-D1455 PolarHBondContact N-OD2 2.98Å; E1427-D1455 WeakPolarHBondContact CA-OD2 3.14Å; E1427-D1455 HydrophobicContact CB-CB 4.22Å; E1427-D1455 WeakPolarHBondContact CB-OD2 3.43Å; E1427-D1455 PolarHBondContact N-OD2 3.32Å; R1430-D1455 IonicContact NH1-OD2 3.61Å |
| 1456 | N | 87.2 | Confident | 87.8 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | trans | -156.6 | 101.3 | -179.2 | -177.8 | -20.9 | 0 | 0 | 0 | 109.8 | Q1458 G1459 W1460 | N1456-Q1458 PolarHBondContact O-N 3.21Å; N1456-Q1458 PolarHBondContact OD1-N 2.83Å; N1456-G1459 PolarHBondContact O-N 3.35Å; N1456-G1459 PolarHBondContact OD1-N 2.66Å; N1456-W1460 WeakPolarHBondContact O-CB 3.37Å; N1456-W1460 PolarHBondContact O-N 3.04Å | ||
| 1457 | R | 87.9 | Confident | 87.1 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -47.1 | -176 | 179.7 | -177.6 | -179.7 | 149 | 1.9 | 112.2 | E1163 E1185 T1454 W1460 T1461 | E1163-R1457 IonicContact OE1-CZ 3.05Å; E1163-R1457 IonicContact OE1-NH1 3.42Å; E1163-R1457 PolarHBondContact OE1-NH1 3.14Å; E1163-R1457 IonicContact OE1-NH2 3.81Å; E1163-R1457 PolarHBondContact OE1-NH2 2.78Å; E1163-R1457 IonicContact OE2-NH2 3.12Å; E1185-R1457 VanDerWaalsContact OE2-CB 3.24Å; E1185-R1457 WeakPolarHBondContact OE2-CB 3.41Å; E1185-R1457 PolarHBondContact OE2-N 2.68Å; E1185-R1457 VanDerWaalsContact OE2-N 3.08Å; T1454-R1457 HydrophobicContact CG2-CB 3.94Å; R1457-W1460 PolarHBondContact O-N 3.28Å; R1457-T1461 PolarHBondContact O-N 3.46Å; R1457-T1461 PolarHBondContact O-OG1 3.26Å |
| 1458 | Q | 87.4 | Confident | 86.2 | Confident | 139 Ų | 139 | 41.3 Ų | 41.3 | 65% | 0.65 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -70.1 | -40.3 | -175 | -170.2 | 154.5 | 4.8 | 0 | 0 | 111.5 | N1456 W1460 T1461 D1462 | N1456-Q1458 PolarHBondContact O-N 3.21Å; N1456-Q1458 PolarHBondContact OD1-N 2.83Å; Q1458-W1460 VanDerWaalsContact C-N 3.31Å; Q1458-W1460 PolarHBondContact O-N 3.41Å; Q1458-T1461 WeakPolarHBondContact CA-OG1 3.49Å; Q1458-T1461 PolarHBondContact O-N 2.92Å; Q1458-T1461 PolarHBondContact O-OG1 3.43Å; Q1458-D1462 WeakPolarHBondContact O-CB 3.42Å; Q1458-D1462 VanDerWaalsContact O-CG 3.24Å; Q1458-D1462 PolarHBondContact O-N 3.17Å |
| 1459 | G | 85.5 | Confident | 85 | Confident | 20 Ų | 20 | 40.2 Ų | 40.2 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1456 A1463 | N1456-G1459 PolarHBondContact O-N 3.35Å; N1456-G1459 PolarHBondContact OD1-N 2.66Å; G1459-A1463 WeakPolarHBondContact O-CB 3.33Å; G1459-A1463 PolarHBondContact O-N 3.05Å |
| 1460 | W | 86.4 | Confident | 84 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | 177.9 | 179 | 66.5 | 0 | 0 | 0 | 112.9 | L1159 E1424 T1426 A1439 L1443 V1452 N1456 R1457 Q1458 D1462 A1463 I1464 | L1159-W1460 HydrophobicContact CD1-CZ3 4.09Å; L1159-W1460 HydrophobicContact CD2-CH2 4.13Å; L1159-W1460 HydrophobicContact CD2-CZ3 3.75Å; E1424-W1460 HydrophobicContact CB-CD2 4.06Å; E1424-W1460 HydrophobicContact CB-CH2 4.19Å; E1424-W1460 HydrophobicContact CB-CZ2 3.69Å; E1424-W1460 VanDerWaalsContact CD-CZ2 3.46Å; E1424-W1460 HydrophobicContact CG-CH2 3.9Å; E1424-W1460 HydrophobicContact CG-CZ2 3.37Å; E1424-W1460 PolarHBondContact OE2-NE1 3.05Å; T1426-W1460 HydrophobicContact CG2-CB 4.07Å; A1439-W1460 HydrophobicContact CB-CZ2 3.76Å; L1443-W1460 HydrophobicContact CD1-CH2 3.95Å; L1443-W1460 HydrophobicContact CD1-CZ2 4.45Å; V1452-W1460 HydrophobicContact CG1-CH2 4.17Å; V1452-W1460 HydrophobicContact CG1-CZ3 4.3Å; N1456-W1460 WeakPolarHBondContact O-CB 3.37Å; N1456-W1460 PolarHBondContact O-N 3.04Å; R1457-W1460 PolarHBondContact O-N 3.28Å; Q1458-W1460 VanDerWaalsContact C-N 3.31Å; Q1458-W1460 PolarHBondContact O-N 3.41Å; W1460-D1462 VanDerWaalsContact C-N 3.34Å; W1460-D1462 PolarHBondContact O-N 3.16Å; W1460-A1463 WeakPolarHBondContact O-CB 3.47Å; W1460-A1463 PolarHBondContact O-N 2.83Å; W1460-I1464 HydrophobicContact CD2-CD1 3.82Å; W1460-I1464 VanDerWaalsContact CE2-CD1 3.49Å; W1460-I1464 HydrophobicContact CE3-CD1 4.35Å; W1460-I1464 HydrophobicContact CG-CD1 4.28Å; W1460-I1464 HydrophobicContact CH2-CD1 4.35Å; W1460-I1464 HydrophobicContact CZ2-CD1 3.77Å; W1460-I1464 WeakPolarHBondContact O-CG1 3.32Å; W1460-I1464 PolarHBondContact O-N 3.41Å |
| 1461 | T | 88 | Confident | 83 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 175 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | V1155 L1159 R1457 Q1458 A1463 I1464 N1465 | V1155-T1461 HydrophobicContact CG1-CG2 4.14Å; L1159-T1461 HydrophobicContact CD1-CG2 3.55Å; R1457-T1461 PolarHBondContact O-N 3.46Å; R1457-T1461 PolarHBondContact O-OG1 3.26Å; Q1458-T1461 WeakPolarHBondContact CA-OG1 3.49Å; Q1458-T1461 PolarHBondContact O-N 2.92Å; Q1458-T1461 PolarHBondContact O-OG1 3.43Å; T1461-A1463 VanDerWaalsContact C-N 3.33Å; T1461-A1463 PolarHBondContact O-N 2.85Å; T1461-I1464 PolarHBondContact O-N 3.28Å; T1461-N1465 WeakPolarHBondContact O-CB 3.41Å; T1461-N1465 VanDerWaalsContact O-CG 3.32Å; T1461-N1465 PolarHBondContact O-N 3.28Å; T1461-N1465 PolarHBondContact O-ND2 3.13Å |
| 1462 | D | 85.9 | Confident | 82.4 | Confident | 78 Ų | 78 | 44.1 Ų | 44.1 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.6 | -73.5 | -16.3 | 0 | 0 | 0 | 111.3 | Q1458 W1460 N1465 N1466 | Q1458-D1462 WeakPolarHBondContact O-CB 3.42Å; Q1458-D1462 VanDerWaalsContact O-CG 3.24Å; Q1458-D1462 PolarHBondContact O-N 3.17Å; W1460-D1462 VanDerWaalsContact C-N 3.34Å; W1460-D1462 PolarHBondContact O-N 3.16Å; D1462-N1465 PolarHBondContact O-N 3.2Å; D1462-N1466 WeakPolarHBondContact O-CB 3.35Å; D1462-N1466 VanDerWaalsContact O-CG 3.31Å; D1462-N1466 PolarHBondContact O-N 2.96Å; D1462-N1466 VanDerWaalsContact O-N 3.07Å; D1462-N1466 PolarHBondContact O-ND2 2.74Å |
| 1463 | A | 83.1 | Confident | 81.9 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1426 A1434 G1459 W1460 T1461 N1466 A1467 | T1426-A1463 HydrophobicContact CG2-CB 4.04Å; A1434-A1463 HydrophobicContact CB-CB 3.93Å; G1459-A1463 WeakPolarHBondContact O-CB 3.33Å; G1459-A1463 PolarHBondContact O-N 3.05Å; W1460-A1463 WeakPolarHBondContact O-CB 3.47Å; W1460-A1463 PolarHBondContact O-N 2.83Å; T1461-A1463 VanDerWaalsContact C-N 3.33Å; T1461-A1463 PolarHBondContact O-N 2.85Å; A1463-N1466 PolarHBondContact O-N 3.25Å; A1463-A1467 PolarHBondContact O-N 2.86Å |
| 1464 | I | 85.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 176.6 | -67.4 | 164.7 | 0 | 0 | 0 | 111.2 | V1155 F1436 A1439 W1460 T1461 N1466 A1467 | V1155-I1464 HydrophobicContact CG1-CD1 4.17Å; V1155-I1464 HydrophobicContact CG2-CB 4.46Å; V1155-I1464 HydrophobicContact CG2-CG2 3.58Å; F1436-I1464 HydrophobicContact CB-CG2 3.98Å; F1436-I1464 HydrophobicContact CD2-CG2 3.91Å; F1436-I1464 HydrophobicContact CG-CG2 4.45Å; A1439-I1464 HydrophobicContact CB-CD1 3.62Å; A1439-I1464 HydrophobicContact CB-CG1 4.13Å; W1460-I1464 HydrophobicContact CD2-CD1 3.82Å; W1460-I1464 VanDerWaalsContact CE2-CD1 3.49Å; W1460-I1464 HydrophobicContact CE3-CD1 4.35Å; W1460-I1464 HydrophobicContact CG-CD1 4.28Å; W1460-I1464 HydrophobicContact CH2-CD1 4.35Å; W1460-I1464 HydrophobicContact CZ2-CD1 3.77Å; W1460-I1464 WeakPolarHBondContact O-CG1 3.32Å; W1460-I1464 PolarHBondContact O-N 3.41Å; T1461-I1464 PolarHBondContact O-N 3.28Å; I1464-N1466 VanDerWaalsContact C-N 3.27Å; I1464-N1466 PolarHBondContact O-N 3.1Å; I1464-A1467 WeakPolarHBondContact O-CB 3.45Å; I1464-A1467 PolarHBondContact O-N 2.8Å |
| 1465 | N | 82.5 | Confident | 80.7 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.7 | -28.2 | -176.8 | -73.1 | -27.6 | 0 | 0 | 0 | 113 | V1155 T1461 D1462 | V1155-N1465 WeakPolarHBondContact CG2-OD1 3.47Å; T1461-N1465 WeakPolarHBondContact O-CB 3.41Å; T1461-N1465 VanDerWaalsContact O-CG 3.32Å; T1461-N1465 PolarHBondContact O-N 3.28Å; T1461-N1465 PolarHBondContact O-ND2 3.13Å; D1462-N1465 PolarHBondContact O-N 3.2Å |
| 1466 | N | 77.3 | Confident | 80.4 | Confident | 122 Ų | 122 | 45.4 Ų | 45.4 | 65% | 0.652 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.6 | 179.2 | -65.3 | -54.7 | 0 | 0 | 0 | 113.4 | D1462 A1463 I1464 V1468 | D1462-N1466 WeakPolarHBondContact O-CB 3.35Å; D1462-N1466 VanDerWaalsContact O-CG 3.31Å; D1462-N1466 PolarHBondContact O-N 2.96Å; D1462-N1466 VanDerWaalsContact O-N 3.07Å; D1462-N1466 PolarHBondContact O-ND2 2.74Å; A1463-N1466 PolarHBondContact O-N 3.25Å; I1464-N1466 VanDerWaalsContact C-N 3.27Å; I1464-N1466 PolarHBondContact O-N 3.1Å; N1466-V1468 PolarHBondContact O-N 3.33Å |
| 1467 | A | 70.6 | Confident | 80.1 | Confident | 39 Ų | 39 | 45 Ų | 45 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -65 | 127.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1463 I1464 | A1463-A1467 PolarHBondContact O-N 2.86Å; I1464-A1467 WeakPolarHBondContact O-CB 3.45Å; I1464-A1467 PolarHBondContact O-N 2.8Å |
| 1468 | V | 67.2 | Low | 79.3 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -95 | 125.4 | -179.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | N1466 | N1466-V1468 PolarHBondContact O-N 3.33Š|
| 1469 | Q | 65.9 | Low | 78.3 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 139.4 | 173.5 | -71.2 | -177.3 | -27.7 | 0 | 0 | 110.2 | R1120 | R1120-Q1469 VanDerWaalsContact NH1-CD 3.26Š|
| 1470 | K | 70.6 | Confident | 77.1 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 138.4 | 171.3 | -54 | -178.1 | 175.8 | -174.6 | 0 | 109 | S884 Q1117 | S884-K1470 PolarHBondContact O-NZ 3.15Å; Q1117-K1470 PolarHBondContact NE2-O 3.24Å; Q1117-K1470 VanDerWaalsContact NE2-O 3.14Å; Q1117-K1470 PolarHBondContact OE1-O 3.15Å |
| 1471 | G | 71.8 | Confident | 76 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 157.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L887 Y933 | L887-G1471 VanDerWaalsContact CD1-O 3.28Å; L887-G1471 WeakPolarHBondContact CD1-O 3.21Å; Y933-G1471 VanDerWaalsContact OH-CA 3.25Å; Y933-G1471 WeakPolarHBondContact OH-CA 3.37Å |
| 1472 | T | 81.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 162.4 | 167.7 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | E947 Q1117 L1121 H1474 D1475 V1476 | E947-T1472 WeakPolarHBondContact OE1-CB 3.49Å; Q1117-T1472 HydrophobicContact CB-CG2 4.16Å; L1121-T1472 HydrophobicContact CB-CG2 4.22Å; L1121-T1472 HydrophobicContact CD1-CG2 4.07Å; T1472-H1474 PolarHBondContact O-N 3.46Å; T1472-D1475 WeakPolarHBondContact CB-OD2 3.45Å; T1472-D1475 PolarHBondContact N-OD2 3.32Å; T1472-D1475 VanDerWaalsContact N-OD2 3.14Å; T1472-D1475 PolarHBondContact O-N 3.17Å; T1472-D1475 VanDerWaalsContact O-N 3.1Å; T1472-D1475 PolarHBondContact OG1-N 2.96Å; T1472-D1475 VanDerWaalsContact OG1-N 3.16Å; T1472-D1475 PolarHBondContact OG1-OD1 3.25Å; T1472-D1475 PolarHBondContact OG1-OD2 3.16Å; T1472-V1476 PolarHBondContact O-N 2.84Å |
| 1473 | A | 83.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V939 Y944 E947 D1475 V1476 F1477 | V939-A1473 HydrophobicContact CG1-CB 3.79Å; Y944-A1473 HydrophobicContact CD2-CB 4Å; E947-A1473 PolarHBondContact OE1-N 2.9Å; E947-A1473 WeakPolarHBondContact OE2-CB 3.42Å; E947-A1473 PolarHBondContact OE2-N 3.44Å; E947-A1473 VanDerWaalsContact OE2-N 3.14Å; A1473-D1475 VanDerWaalsContact C-N 3.28Å; A1473-D1475 PolarHBondContact O-N 2.98Å; A1473-V1476 WeakPolarHBondContact O-CB 3.26Å; A1473-V1476 PolarHBondContact O-N 3.31Å; A1473-F1477 VanDerWaalsContact O-CD2 3.27Å; A1473-F1477 WeakPolarHBondContact O-CD2 3.39Å; A1473-F1477 PolarHBondContact O-N 3.06Å |
| 1474 | H | 82.2 | Confident | 73 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 173.6 | -77.7 | 74.4 | 0 | 0 | 0 | 113.4 | Y944 E947 L1121 T1472 V1476 E1478 | Y944-H1474 AromaticContact CD2-CE1 4Å; Y944-H1474 AromaticContact CE2-CE1 3.57Å; Y944-H1474 AromaticContact CE2-ND1 3.89Å; Y944-H1474 AromaticContact CE2-NE2 3.75Å; E947-H1474 IonicContact OE2-CE1 3.79Å; E947-H1474 IonicContact OE2-CG 3.5Å; E947-H1474 PolarHBondContact OE2-N 2.9Å; E947-H1474 IonicContact OE2-ND1 2.86Å; E947-H1474 PolarHBondContact OE2-ND1 3.41Å; L1121-H1474 HydrophobicContact CD1-CB 4.11Å; T1472-H1474 PolarHBondContact O-N 3.46Å; H1474-V1476 PolarHBondContact O-N 3.13Å; H1474-E1478 CarbonylContact O-C 3.48Å; H1474-E1478 WeakPolarHBondContact O-CA 3.22Å; H1474-E1478 PolarHBondContact O-N 3.25Å; H1474-E1478 VanDerWaalsContact O-O 3.14Å |
| 1475 | D | 77.9 | Confident | 72.4 | Confident | 16 Ų | 16 | 57.2 Ų | 57.2 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.6 | -20.8 | 176.4 | -59.9 | -37.7 | 0 | 0 | 0 | 112.7 | Y933 R1125 T1472 A1473 P1479 | Y933-D1475 HydrophobicContact CE2-CB 4.19Å; Y933-D1475 WeakPolarHBondContact CE2-O 3.37Å; Y933-D1475 VanDerWaalsContact OH-CB 3.23Å; Y933-D1475 WeakPolarHBondContact OH-CB 3.33Å; R1125-D1475 IonicContact CZ-OD1 3.27Å; R1125-D1475 IonicContact NE-OD1 2.73Å; R1125-D1475 IonicContact NH2-OD1 2.63Å; R1125-D1475 PolarHBondContact NH2-OD1 3.24Å; T1472-D1475 WeakPolarHBondContact CB-OD2 3.45Å; T1472-D1475 PolarHBondContact N-OD2 3.32Å; T1472-D1475 VanDerWaalsContact N-OD2 3.14Å; T1472-D1475 PolarHBondContact O-N 3.17Å; T1472-D1475 VanDerWaalsContact O-N 3.1Å; T1472-D1475 PolarHBondContact OG1-N 2.96Å; T1472-D1475 VanDerWaalsContact OG1-N 3.16Å; T1472-D1475 PolarHBondContact OG1-OD1 3.25Å; T1472-D1475 PolarHBondContact OG1-OD2 3.16Å; A1473-D1475 VanDerWaalsContact C-N 3.28Å; A1473-D1475 PolarHBondContact O-N 2.98Å; D1475-P1479 WeakPolarHBondContact O-CA 3.37Å; D1475-P1479 WeakPolarHBondContact O-CB 3.27Å |
| 1476 | V | 81.7 | Confident | 71.8 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -85.9 | -43.8 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | A888 V927 A930 Y933 L937 V939 T1472 A1473 H1474 | A888-V1476 HydrophobicContact CB-CG1 4.11Å; A888-V1476 HydrophobicContact CB-CG2 3.88Å; V927-V1476 HydrophobicContact CB-CG1 4.39Å; V927-V1476 HydrophobicContact CG1-CG1 4.35Å; V927-V1476 HydrophobicContact CG2-CG1 4.16Å; A930-V1476 HydrophobicContact CB-CG1 3.85Å; Y933-V1476 HydrophobicContact CD1-CG2 4.24Å; Y933-V1476 HydrophobicContact CD2-CG2 4.02Å; Y933-V1476 HydrophobicContact CE1-CG2 4.36Å; Y933-V1476 HydrophobicContact CE2-CG2 4.11Å; Y933-V1476 HydrophobicContact CG-CG2 4.08Å; L937-V1476 HydrophobicContact CD1-CG1 4.42Å; V939-V1476 HydrophobicContact CG2-CG1 4.18Å; T1472-V1476 PolarHBondContact O-N 2.84Å; A1473-V1476 WeakPolarHBondContact O-CB 3.26Å; A1473-V1476 PolarHBondContact O-N 3.31Å; H1474-V1476 PolarHBondContact O-N 3.13Å |
| 1477 | F | 79.2 | Confident | 71.6 | Confident | 63 Ų | 63 | 57 Ų | 57 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78.9 | -43.5 | 178.9 | -75.1 | -72 | 0 | 0 | 0 | 113.6 | L925 V927 V939 Y944 A1473 P1479 | L925-F1477 HydrophobicContact CB-CE1 3.76Å; L925-F1477 HydrophobicContact CB-CE2 4.13Å; L925-F1477 HydrophobicContact CB-CZ 3.22Å; L925-F1477 HydrophobicContact CD1-CE1 4.42Å; L925-F1477 HydrophobicContact CD1-CE2 3.9Å; L925-F1477 HydrophobicContact CD1-CZ 3.76Å; L925-F1477 HydrophobicContact CG-CZ 4.12Å; V927-F1477 HydrophobicContact CG2-CD1 3.6Å; V927-F1477 HydrophobicContact CG2-CE1 3.11Å; V927-F1477 HydrophobicContact CG2-CE2 4.44Å; V927-F1477 HydrophobicContact CG2-CG 4.39Å; V927-F1477 HydrophobicContact CG2-CZ 3.54Å; V939-F1477 HydrophobicContact CB-CE2 3.61Å; V939-F1477 HydrophobicContact CB-CZ 3.82Å; V939-F1477 HydrophobicContact CG1-CE2 3.9Å; V939-F1477 HydrophobicContact CG2-CE2 3.68Å; V939-F1477 HydrophobicContact CG2-CZ 3.92Å; Y944-F1477 AromaticContact CD2-CD2 3.9Å; Y944-F1477 HydrophobicContact CD2-CD2 3.9Å; Y944-F1477 HydrophobicContact CD2-CE2 4.29Å; Y944-F1477 HydrophobicContact CE2-CD2 4.04Å; A1473-F1477 VanDerWaalsContact O-CD2 3.27Å; A1473-F1477 WeakPolarHBondContact O-CD2 3.39Å; A1473-F1477 PolarHBondContact O-N 3.06Å; F1477-P1479 VanDerWaalsContact O-CD 3.31Å; F1477-P1479 WeakPolarHBondContact O-CD 3.47Å |
| 1478 | E | 72.6 | Confident | 72.1 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -123.4 | 64.5 | -177.2 | -65.4 | 176.6 | -172.9 | 0 | 0 | 108.7 | R1125 H1474 K1480 | R1125-E1478 VanDerWaalsContact CZ-O 3.3Å; R1125-E1478 PolarHBondContact NH1-O 3.17Å; R1125-E1478 PolarHBondContact NH2-O 2.71Å; H1474-E1478 CarbonylContact O-C 3.48Å; H1474-E1478 WeakPolarHBondContact O-CA 3.22Å; H1474-E1478 PolarHBondContact O-N 3.25Å; H1474-E1478 VanDerWaalsContact O-O 3.14Å; E1478-K1480 PolarHBondContact O-N 3.38Å |
| 1479 | P | 65 | Low | 72.6 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | trans | -57.9 | 113.1 | 177.9 | 23.5 | -31.5 | 0 | 0 | 0 | 107.9 | D1475 F1477 | D1475-P1479 WeakPolarHBondContact O-CA 3.37Å; D1475-P1479 WeakPolarHBondContact O-CB 3.27Å; F1477-P1479 VanDerWaalsContact O-CD 3.31Å; F1477-P1479 WeakPolarHBondContact O-CD 3.47Å | ||
| 1480 | K | 62.2 | Low | 73.2 | Confident | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | trans | -57.7 | 143.9 | 171.3 | -85.9 | 175.7 | 175 | -162.7 | 0 | 107 | T1124 E1478 D1482 D1540 | T1124-K1480 PolarHBondContact O-NZ 3.32Å; E1478-K1480 PolarHBondContact O-N 3.38Å; K1480-D1482 WeakPolarHBondContact CB-OD1 3.22Å; K1480-D1482 PolarHBondContact O-N 3.26Å; K1480-D1540 IonicContact NZ-OD2 3.74Å | ||
| 1481 | P | 62.5 | Low | 73.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 25% | 0.253 | 27% | 0.274 | S | S | . | . | trans | -72.4 | 54.4 | 167.4 | 31.7 | -32.9 | 0 | 0 | 0 | 108.8 | R1483 E1484 V1485 S1573 | P1481-R1483 PolarHBondContact O-N 2.86Å; P1481-R1483 VanDerWaalsContact O-N 3.1Å; P1481-E1484 HydrophobicContact CB-CB 4.1Å; P1481-E1484 HydrophobicContact CB-CG 4.09Å; P1481-E1484 CarbonylContact O-C 3.46Å; P1481-E1484 WeakPolarHBondContact O-CA 3.47Å; P1481-E1484 WeakPolarHBondContact O-CB 3.41Å; P1481-E1484 PolarHBondContact O-N 3.33Å; P1481-V1485 PolarHBondContact O-N 2.87Å; P1481-S1573 WeakPolarHBondContact CD-OG 3.13Å; P1481-S1573 VanDerWaalsContact CG-CA 3.46Å; P1481-S1573 WeakPolarHBondContact CG-OG 3.49Å | ||
| 1482 | D | 62.5 | Low | 74.3 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.6 | -37.1 | -176.6 | -78.2 | -19.7 | 0 | 0 | 0 | 109.8 | K1480 E1484 V1485 M1486 | K1480-D1482 WeakPolarHBondContact CB-OD1 3.22Å; K1480-D1482 PolarHBondContact O-N 3.26Å; D1482-E1484 VanDerWaalsContact C-N 3.34Å; D1482-E1484 PolarHBondContact O-N 2.91Å; D1482-V1485 PolarHBondContact O-N 2.99Å; D1482-M1486 WeakPolarHBondContact O-CA 3.39Å; D1482-M1486 WeakPolarHBondContact O-CB 3.43Å; D1482-M1486 WeakPolarHBondContact O-CG 3.46Å; D1482-M1486 PolarHBondContact O-N 2.92Å |
| 1483 | R | 63 | Low | 74.2 | Confident | 183 Ų | 183 | 62.9 Ų | 62.9 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 175.3 | -168.8 | 175.5 | 175.5 | -179.1 | -2.2 | 112.6 | P1481 N1487 | P1481-R1483 PolarHBondContact O-N 2.86Å; P1481-R1483 VanDerWaalsContact O-N 3.1Å; R1483-N1487 WeakPolarHBondContact O-CB 3.28Å; R1483-N1487 PolarHBondContact O-N 3.36Å; R1483-N1487 PolarHBondContact O-ND2 3.11Å |
| 1484 | E | 69.1 | Low | 74.1 | Confident | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.1 | -40.3 | 177.5 | -55.2 | -166 | 153.4 | 0 | 0 | 111.5 | P1481 D1482 N1487 A1488 | P1481-E1484 HydrophobicContact CB-CB 4.1Å; P1481-E1484 HydrophobicContact CB-CG 4.09Å; P1481-E1484 CarbonylContact O-C 3.46Å; P1481-E1484 WeakPolarHBondContact O-CA 3.47Å; P1481-E1484 WeakPolarHBondContact O-CB 3.41Å; P1481-E1484 PolarHBondContact O-N 3.33Å; D1482-E1484 VanDerWaalsContact C-N 3.34Å; D1482-E1484 PolarHBondContact O-N 2.91Å; E1484-N1487 PolarHBondContact O-N 3.18Å; E1484-A1488 VanDerWaalsContact O-CB 3.3Å; E1484-A1488 WeakPolarHBondContact O-CB 2.98Å; E1484-A1488 PolarHBondContact O-N 3.18Å |
| 1485 | V | 72.3 | Confident | 74.1 | Confident | 12 Ų | 12 | 68 Ų | 68 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | P1481 D1482 N1487 A1488 E1489 | P1481-V1485 PolarHBondContact O-N 2.87Å; D1482-V1485 PolarHBondContact O-N 2.99Å; V1485-N1487 VanDerWaalsContact C-N 3.32Å; V1485-N1487 PolarHBondContact O-N 2.95Å; V1485-A1488 CarbonylContact O-C 3.47Å; V1485-A1488 WeakPolarHBondContact O-CA 3.2Å; V1485-A1488 VanDerWaalsContact O-CB 3.29Å; V1485-A1488 WeakPolarHBondContact O-CB 3.42Å; V1485-A1488 PolarHBondContact O-N 2.8Å; V1485-E1489 HydrophobicContact CG1-CG 4.43Å; V1485-E1489 WeakPolarHBondContact O-CG 3.21Å; V1485-E1489 PolarHBondContact O-N 2.61Å |
| 1486 | M | 69.1 | Low | 74.5 | Confident | 122 Ų | 122 | 75.8 Ų | 75.8 | 60% | 0.601 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 175 | -72.8 | 179.4 | 89.3 | 0 | 0 | 112.1 | D1482 A1488 E1489 R1490 | D1482-M1486 WeakPolarHBondContact O-CA 3.39Å; D1482-M1486 WeakPolarHBondContact O-CB 3.43Å; D1482-M1486 WeakPolarHBondContact O-CG 3.46Å; D1482-M1486 PolarHBondContact O-N 2.92Å; M1486-A1488 VanDerWaalsContact C-N 3.31Å; M1486-E1489 PolarHBondContact O-N 2.81Å; M1486-R1490 WeakPolarHBondContact O-CB 3.13Å; M1486-R1490 PolarHBondContact O-N 2.73Å |
| 1487 | N | 74.4 | Confident | 74.6 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 174.4 | -78.7 | -31.3 | 0 | 0 | 0 | 111.8 | R1483 E1484 V1485 L1491 | R1483-N1487 WeakPolarHBondContact O-CB 3.28Å; R1483-N1487 PolarHBondContact O-N 3.36Å; R1483-N1487 PolarHBondContact O-ND2 3.11Å; E1484-N1487 PolarHBondContact O-N 3.18Å; V1485-N1487 VanDerWaalsContact C-N 3.32Å; V1485-N1487 PolarHBondContact O-N 2.95Å; N1487-L1491 VanDerWaalsContact O-CB 3.29Å; N1487-L1491 WeakPolarHBondContact O-CB 3.42Å; N1487-L1491 PolarHBondContact O-N 2.79Å |
| 1488 | A | 79.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | E1484 V1485 M1486 L1491 F1492 I1548 K1571 | E1484-A1488 VanDerWaalsContact O-CB 3.3Å; E1484-A1488 WeakPolarHBondContact O-CB 2.98Å; E1484-A1488 PolarHBondContact O-N 3.18Å; V1485-A1488 CarbonylContact O-C 3.47Å; V1485-A1488 WeakPolarHBondContact O-CA 3.2Å; V1485-A1488 VanDerWaalsContact O-CB 3.29Å; V1485-A1488 WeakPolarHBondContact O-CB 3.42Å; V1485-A1488 PolarHBondContact O-N 2.8Å; M1486-A1488 VanDerWaalsContact C-N 3.31Å; A1488-L1491 CarbonylContact O-C 3.56Å; A1488-L1491 WeakPolarHBondContact O-CB 3.48Å; A1488-L1491 PolarHBondContact O-N 2.83Å; A1488-F1492 WeakPolarHBondContact O-CB 3.25Å; A1488-F1492 PolarHBondContact O-N 2.89Å; A1488-I1548 HydrophobicContact CB-CD1 4.41Å; A1488-I1548 HydrophobicContact CB-CG1 4.05Å; A1488-I1548 HydrophobicContact CB-CG2 4.45Å; A1488-K1571 HydrophobicContact CB-CG 4.48Å; A1488-K1571 WeakPolarHBondContact CB-O 3.35Å |
| 1489 | E | 78.3 | Confident | 75.3 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.3 | -73.3 | -179 | 168.6 | 0 | 0 | 112.1 | V1485 M1486 L1491 F1492 S1493 S1545 | V1485-E1489 HydrophobicContact CG1-CG 4.43Å; V1485-E1489 WeakPolarHBondContact O-CG 3.21Å; V1485-E1489 PolarHBondContact O-N 2.61Å; M1486-E1489 PolarHBondContact O-N 2.81Å; E1489-L1491 VanDerWaalsContact C-N 3.31Å; E1489-L1491 PolarHBondContact O-N 2.83Å; E1489-F1492 CarbonylContact O-C 3.55Å; E1489-F1492 WeakPolarHBondContact O-CB 3.36Å; E1489-F1492 PolarHBondContact O-N 2.77Å; E1489-F1492 VanDerWaalsContact O-N 3.16Å; E1489-S1493 WeakPolarHBondContact O-CB 3.26Å; E1489-S1493 PolarHBondContact O-N 3.39Å; E1489-S1493 PolarHBondContact O-OG 2.94Å; E1489-S1545 VanDerWaalsContact OE1-CB 3.23Å; E1489-S1545 WeakPolarHBondContact OE1-CB 3.45Å; E1489-S1545 PolarHBondContact OE1-OG 2.84Å |
| 1490 | R | 77.7 | Confident | 76.2 | Confident | 181 Ų | 181 | 78.5 Ų | 78.5 | 68% | 0.683 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 174.4 | -172.7 | -178.2 | -84.7 | -171.1 | -5.5 | 111.4 | M1486 F1492 S1493 T1494 | M1486-R1490 WeakPolarHBondContact O-CB 3.13Å; M1486-R1490 PolarHBondContact O-N 2.73Å; R1490-F1492 VanDerWaalsContact C-N 3.33Å; R1490-S1493 WeakPolarHBondContact CA-OG 3.43Å; R1490-S1493 PolarHBondContact O-OG 3.35Å; R1490-T1494 WeakPolarHBondContact O-CG2 3.38Å; R1490-T1494 PolarHBondContact O-N 3.5Å; R1490-T1494 PolarHBondContact O-OG1 2.88Å |
| 1491 | L | 82.2 | Confident | 77.2 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 173.1 | 179.6 | 63.1 | 0 | 0 | 0 | 111.3 | N1487 A1488 E1489 T1494 A1495 I1523 Y1529 I1548 K1571 | N1487-L1491 VanDerWaalsContact O-CB 3.29Å; N1487-L1491 WeakPolarHBondContact O-CB 3.42Å; N1487-L1491 PolarHBondContact O-N 2.79Å; A1488-L1491 CarbonylContact O-C 3.56Å; A1488-L1491 WeakPolarHBondContact O-CB 3.48Å; A1488-L1491 PolarHBondContact O-N 2.83Å; E1489-L1491 VanDerWaalsContact C-N 3.31Å; E1489-L1491 PolarHBondContact O-N 2.83Å; L1491-T1494 PolarHBondContact O-OG1 3.18Å; L1491-A1495 PolarHBondContact O-N 2.97Å; L1491-I1523 HydrophobicContact CD1-CD1 4.4Å; L1491-I1523 HydrophobicContact CD1-CG2 4.44Å; L1491-I1523 HydrophobicContact CD2-CD1 3.99Å; L1491-I1523 HydrophobicContact CG-CD1 3.91Å; L1491-Y1529 HydrophobicContact CD2-CE2 4.02Å; L1491-I1548 HydrophobicContact CB-CD1 4.47Å; L1491-I1548 HydrophobicContact CD2-CD1 3.99Å; L1491-I1548 HydrophobicContact CG-CD1 4.3Å; L1491-K1571 HydrophobicContact CD2-CD 4.06Å; L1491-K1571 VanDerWaalsContact CD2-NZ 3.27Å |
| 1492 | F | 84.6 | Confident | 78.1 | Confident | 34 Ų | 34 | 79.1 Ų | 79.1 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.6 | -42.1 | 178.3 | -166.9 | -105 | 0 | 0 | 0 | 112.8 | A1488 E1489 R1490 T1494 A1495 P1519 R1521 A1535 P1537 I1548 | A1488-F1492 WeakPolarHBondContact O-CB 3.25Å; A1488-F1492 PolarHBondContact O-N 2.89Å; E1489-F1492 CarbonylContact O-C 3.55Å; E1489-F1492 WeakPolarHBondContact O-CB 3.36Å; E1489-F1492 PolarHBondContact O-N 2.77Å; E1489-F1492 VanDerWaalsContact O-N 3.16Å; R1490-F1492 VanDerWaalsContact C-N 3.33Å; F1492-T1494 VanDerWaalsContact C-N 3.3Å; F1492-T1494 PolarHBondContact O-N 3.38Å; F1492-A1495 WeakPolarHBondContact O-CB 3.47Å; F1492-A1495 PolarHBondContact O-N 2.93Å; F1492-A1495 VanDerWaalsContact O-N 3.12Å; F1492-P1519 WeakPolarHBondContact CZ-O 3.5Å; F1492-R1521 HydrophobicContact CD2-CB 4.27Å; F1492-R1521 HydrophobicContact CD2-CG 4.41Å; F1492-R1521 HydrophobicContact CE1-CG 4.21Å; F1492-R1521 HydrophobicContact CE2-CB 3.86Å; F1492-R1521 HydrophobicContact CE2-CG 3.81Å; F1492-R1521 HydrophobicContact CZ-CB 4.29Å; F1492-R1521 HydrophobicContact CZ-CG 3.7Å; F1492-R1521 WeakPolarHBondContact O-CD 3.31Å; F1492-R1521 PolarHBondContact O-NH1 2.93Å; F1492-A1535 HydrophobicContact CD2-CB 3.94Å; F1492-A1535 HydrophobicContact CE2-CB 4.12Å; F1492-P1537 HydrophobicContact CZ-CB 4.39Å; F1492-P1537 HydrophobicContact CZ-CG 4.31Å; F1492-I1548 HydrophobicContact CB-CG2 3.78Å; F1492-I1548 HydrophobicContact CD2-CG2 3.68Å; F1492-I1548 HydrophobicContact CG-CG2 3.9Å |
| 1493 | S | 79.4 | Confident | 78.9 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 53% | 0.531 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -33.1 | -179 | 69 | 0 | 0 | 0 | 0 | 112.1 | E1489 R1490 R1521 | E1489-S1493 WeakPolarHBondContact O-CB 3.26Å; E1489-S1493 PolarHBondContact O-N 3.39Å; E1489-S1493 PolarHBondContact O-OG 2.94Å; R1490-S1493 WeakPolarHBondContact CA-OG 3.43Å; R1490-S1493 PolarHBondContact O-OG 3.35Å; S1493-R1521 PolarHBondContact O-NH1 3.4Å |
| 1494 | T | 80.3 | Confident | 79.7 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 66% | 0.656 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.4 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | R1490 L1491 F1492 | R1490-T1494 WeakPolarHBondContact O-CG2 3.38Å; R1490-T1494 PolarHBondContact O-N 3.5Å; R1490-T1494 PolarHBondContact O-OG1 2.88Å; L1491-T1494 PolarHBondContact O-OG1 3.18Å; F1492-T1494 VanDerWaalsContact C-N 3.3Å; F1492-T1494 PolarHBondContact O-N 3.38Å |
| 1495 | A | 83.2 | Confident | 80.4 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -76.2 | 153 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1491 F1492 R1521 I1523 | L1491-A1495 PolarHBondContact O-N 2.97Å; F1492-A1495 WeakPolarHBondContact O-CB 3.47Å; F1492-A1495 PolarHBondContact O-N 2.93Å; F1492-A1495 VanDerWaalsContact O-N 3.12Å; A1495-R1521 HydrophobicContact CB-CB 3.85Å; A1495-R1521 PolarHBondContact O-NH1 2.89Å; A1495-I1523 HydrophobicContact CB-CG1 3.89Å |
| 1496 | R | 85 | Confident | 80.8 | Confident | 181 Ų | 181 | 69.8 Ų | 69.8 | 68% | 0.683 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 149.9 | 179.8 | -65.1 | -176.1 | -179.8 | -174.4 | -0.7 | 110.7 | V1501 R1521 F1522 | R1496-V1501 HydrophobicContact CB-CG2 3.82Å; R1496-R1521 CarbonylContact O-C 3.59Å; R1496-R1521 VanDerWaalsContact O-CA 3.3Å; R1496-R1521 WeakPolarHBondContact O-CA 3.47Å; R1496-R1521 WeakPolarHBondContact O-CB 3.43Å; R1496-F1522 PolarHBondContact N-O 2.81Å; R1496-F1522 PolarHBondContact O-N 3.08Å |
| 1497 | E | 84.2 | Confident | 81.4 | Confident | 80 Ų | 80 | 64 Ų | 64 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 143.2 | 174 | -59.8 | -168.1 | 173.9 | 0 | 0 | 111.1 | R1499 D1500 | E1497-R1499 HydrophobicContact CB-CG 4.04Å; E1497-R1499 PolarHBondContact O-N 2.84Å; E1497-R1499 WeakPolarHBondContact OE2-CD 3.41Å; E1497-R1499 IonicContact OE2-NE 3.58Å; E1497-D1500 PolarHBondContact O-N 2.81Å |
| 1498 | L | 84.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.4 | -179.2 | -126.7 | 75.7 | 0 | 0 | 0 | 111.8 | D1500 V1501 G1504 R1505 V1507 L1508 A1520 R1521 F1522 V1534 F1564 | L1498-D1500 VanDerWaalsContact C-N 3.27Å; L1498-D1500 PolarHBondContact O-N 3.27Å; L1498-V1501 PolarHBondContact O-N 2.76Å; L1498-G1504 CarbonylContact O-C 3.56Å; L1498-G1504 WeakPolarHBondContact O-CA 2.98Å; L1498-R1505 PolarHBondContact O-N 3.31Å; L1498-V1507 HydrophobicContact CD2-CG1 4.3Å; L1498-L1508 HydrophobicContact CB-CD1 4.05Å; L1498-L1508 HydrophobicContact CB-CG 4.28Å; L1498-L1508 HydrophobicContact CD2-CD1 4.49Å; L1498-L1508 HydrophobicContact CD2-CD2 3.89Å; L1498-L1508 HydrophobicContact CD2-CG 3.79Å; L1498-A1520 HydrophobicContact CB-CB 4.35Å; L1498-A1520 WeakPolarHBondContact CB-O 3.44Å; L1498-A1520 HydrophobicContact CD1-CB 4.08Å; L1498-A1520 HydrophobicContact CD2-CB 4.02Å; L1498-A1520 HydrophobicContact CG-CB 4.36Å; L1498-A1520 PolarHBondContact N-O 3.29Å; L1498-A1520 VanDerWaalsContact N-O 3.12Å; L1498-R1521 WeakPolarHBondContact CD1-O 3.46Å; L1498-F1522 HydrophobicContact CD1-CB 4.04Å; L1498-V1534 HydrophobicContact CD1-CG1 3.99Å; L1498-V1534 HydrophobicContact CD1-CG2 4.28Å; L1498-V1534 HydrophobicContact CD2-CG1 4.39Å; L1498-F1564 HydrophobicContact CD2-CE2 4.15Å; L1498-F1564 HydrophobicContact CD2-CZ 3.87Å |
| 1499 | R | 82.8 | Confident | 82 | Confident | 106 Ų | 106 | 69.5 Ų | 69.5 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.2 | -179.8 | 66.7 | -175.9 | 74.6 | -168.8 | 6.8 | 113.7 | E1497 R1505 L1508 D1517 | E1497-R1499 HydrophobicContact CB-CG 4.04Å; E1497-R1499 PolarHBondContact O-N 2.84Å; E1497-R1499 WeakPolarHBondContact OE2-CD 3.41Å; E1497-R1499 IonicContact OE2-NE 3.58Å; R1499-R1505 VanDerWaalsContact O-CD 3.22Å; R1499-R1505 WeakPolarHBondContact O-CD 3.39Å; R1499-R1505 WeakPolarHBondContact O-CG 3.36Å; R1499-R1505 PolarHBondContact O-NH1 2.5Å; R1499-L1508 HydrophobicContact CB-CD1 4.35Å; R1499-D1517 IonicContact CZ-OD1 3.38Å; R1499-D1517 IonicContact NH2-OD1 2.84Å; R1499-D1517 PolarHBondContact NH2-OD1 2.82Å |
| 1500 | D | 83.9 | Confident | 82.1 | Confident | 105 Ų | 105 | 69.7 Ų | 69.7 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23.9 | -177 | -65.6 | -21.2 | 0 | 0 | 0 | 112.5 | E1497 L1498 R1505 | E1497-D1500 PolarHBondContact O-N 2.81Å; L1498-D1500 VanDerWaalsContact C-N 3.27Å; L1498-D1500 PolarHBondContact O-N 3.27Å; D1500-R1505 PolarHBondContact O-NH1 2.82Å |
| 1501 | V | 84.2 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -100.3 | 134.9 | -175.8 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | R1496 L1498 A1503 G1504 R1505 F1522 | R1496-V1501 HydrophobicContact CB-CG2 3.82Å; L1498-V1501 PolarHBondContact O-N 2.76Å; V1501-A1503 VanDerWaalsContact C-N 3.31Å; V1501-A1503 HydrophobicContact CG1-CB 4.36Å; V1501-A1503 PolarHBondContact O-N 3.02Å; V1501-G1504 CarbonylContact O-C 3.55Å; V1501-G1504 WeakPolarHBondContact O-CA 3.29Å; V1501-G1504 PolarHBondContact O-N 3.42Å; V1501-R1505 PolarHBondContact O-N 3.38Å; V1501-F1522 HydrophobicContact CB-CB 4.44Å; V1501-F1522 HydrophobicContact CB-CD1 4.35Å; V1501-F1522 HydrophobicContact CB-CG 4.3Å; V1501-F1522 HydrophobicContact CG1-CD1 3.97Å; V1501-F1522 HydrophobicContact CG1-CD2 4.48Å; V1501-F1522 HydrophobicContact CG1-CE1 4.08Å; V1501-F1522 HydrophobicContact CG1-CG 4.18Å; V1501-F1522 HydrophobicContact CG1-CZ 4.39Å; V1501-F1522 HydrophobicContact CG2-CB 4.12Å; V1501-F1522 HydrophobicContact CG2-CD1 3.96Å; V1501-F1522 HydrophobicContact CG2-CG 4.19Å |
| 1502 | A | 81.5 | Confident | 81.9 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1504 R1505 A1506 | A1502-G1504 VanDerWaalsContact C-N 3.35Å; A1502-R1505 PolarHBondContact O-N 3.39Å; A1502-A1506 PolarHBondContact O-N 3.34Å; A1502-A1506 VanDerWaalsContact O-N 3.11Å |
| 1503 | A | 79 | Confident | 81.8 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1501 A1506 V1507 F1522 L1561 | V1501-A1503 VanDerWaalsContact C-N 3.31Å; V1501-A1503 HydrophobicContact CG1-CB 4.36Å; V1501-A1503 PolarHBondContact O-N 3.02Å; A1503-A1506 WeakPolarHBondContact O-CB 3.17Å; A1503-A1506 PolarHBondContact O-N 2.87Å; A1503-V1507 VanDerWaalsContact O-CG2 3.23Å; A1503-V1507 WeakPolarHBondContact O-CG2 3.47Å; A1503-V1507 PolarHBondContact O-N 3.44Å; A1503-V1507 VanDerWaalsContact O-N 3.1Å; A1503-F1522 HydrophobicContact CB-CE2 4.16Å; A1503-L1561 HydrophobicContact CB-CD1 3.83Å |
| 1504 | G | 80 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1498 V1501 A1502 A1506 V1507 L1508 | L1498-G1504 CarbonylContact O-C 3.56Å; L1498-G1504 WeakPolarHBondContact O-CA 2.98Å; V1501-G1504 CarbonylContact O-C 3.55Å; V1501-G1504 WeakPolarHBondContact O-CA 3.29Å; V1501-G1504 PolarHBondContact O-N 3.42Å; A1502-G1504 VanDerWaalsContact C-N 3.35Å; G1504-A1506 VanDerWaalsContact C-N 3.3Å; G1504-A1506 PolarHBondContact O-N 2.88Å; G1504-V1507 PolarHBondContact O-N 3.36Å; G1504-L1508 PolarHBondContact O-N 2.93Å |
| 1505 | R | 82.6 | Confident | 80.8 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 42% | 0.415 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -31.5 | 171.8 | -70.6 | -167 | -68.6 | -85.6 | 3 | 113.3 | L1498 R1499 D1500 V1501 A1502 R1509 | L1498-R1505 PolarHBondContact O-N 3.31Å; R1499-R1505 VanDerWaalsContact O-CD 3.22Å; R1499-R1505 WeakPolarHBondContact O-CD 3.39Å; R1499-R1505 WeakPolarHBondContact O-CG 3.36Å; R1499-R1505 PolarHBondContact O-NH1 2.5Å; D1500-R1505 PolarHBondContact O-NH1 2.82Å; V1501-R1505 PolarHBondContact O-N 3.38Å; A1502-R1505 PolarHBondContact O-N 3.39Å; R1505-R1509 WeakPolarHBondContact O-CB 3.48Å; R1505-R1509 WeakPolarHBondContact O-CG 3.07Å; R1505-R1509 PolarHBondContact O-N 3.28Å; R1505-R1509 PolarHBondContact O-NE 3.21Å |
| 1506 | A | 81 | Confident | 80 | Confident | 31 Ų | 31 | 57 Ų | 57 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1502 A1503 G1504 R1509 Q1510 | A1502-A1506 PolarHBondContact O-N 3.34Å; A1502-A1506 VanDerWaalsContact O-N 3.11Å; A1503-A1506 WeakPolarHBondContact O-CB 3.17Å; A1503-A1506 PolarHBondContact O-N 2.87Å; G1504-A1506 VanDerWaalsContact C-N 3.3Å; G1504-A1506 PolarHBondContact O-N 2.88Å; A1506-R1509 PolarHBondContact O-N 2.97Å; A1506-Q1510 WeakPolarHBondContact O-CB 3.36Å; A1506-Q1510 PolarHBondContact O-N 2.77Å |
| 1507 | V | 82 | Confident | 79.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | L1498 A1503 G1504 R1509 Q1510 A1511 V1534 L1553 L1561 F1564 | L1498-V1507 HydrophobicContact CD2-CG1 4.3Å; A1503-V1507 VanDerWaalsContact O-CG2 3.23Å; A1503-V1507 WeakPolarHBondContact O-CG2 3.47Å; A1503-V1507 PolarHBondContact O-N 3.44Å; A1503-V1507 VanDerWaalsContact O-N 3.1Å; G1504-V1507 PolarHBondContact O-N 3.36Å; V1507-R1509 VanDerWaalsContact C-N 3.33Å; V1507-R1509 PolarHBondContact O-N 2.86Å; V1507-Q1510 PolarHBondContact O-N 3.07Å; V1507-A1511 WeakPolarHBondContact O-CB 3.47Å; V1507-A1511 PolarHBondContact O-N 3.4Å; V1507-V1534 HydrophobicContact CG1-CG2 4.45Å; V1507-L1553 HydrophobicContact CB-CD2 4.44Å; V1507-L1553 HydrophobicContact CG1-CD2 4.27Å; V1507-L1553 HydrophobicContact CG2-CD2 3.41Å; V1507-L1553 VanDerWaalsContact CG2-CD2 3.41Å; V1507-L1561 HydrophobicContact CG2-CB 3.86Å; V1507-L1561 WeakPolarHBondContact CG2-O 3.49Å; V1507-F1564 HydrophobicContact CG1-CD2 3.96Å; V1507-F1564 HydrophobicContact CG1-CE2 3.76Å |
| 1508 | L | 83.6 | Confident | 79.7 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176 | -74.4 | 175.6 | 0 | 0 | 0 | 112.4 | L1498 R1499 G1504 G1512 L1513 A1514 F1564 | L1498-L1508 HydrophobicContact CB-CD1 4.05Å; L1498-L1508 HydrophobicContact CB-CG 4.28Å; L1498-L1508 HydrophobicContact CD2-CD1 4.49Å; L1498-L1508 HydrophobicContact CD2-CD2 3.89Å; L1498-L1508 HydrophobicContact CD2-CG 3.79Å; R1499-L1508 HydrophobicContact CB-CD1 4.35Å; G1504-L1508 PolarHBondContact O-N 2.93Å; L1508-G1512 PolarHBondContact O-N 3.19Å; L1508-G1512 VanDerWaalsContact O-N 3.16Å; L1508-L1513 HydrophobicContact CD2-CB 4.04Å; L1508-L1513 PolarHBondContact O-N 3.29Å; L1508-A1514 PolarHBondContact O-N 3.49Å; L1508-F1564 HydrophobicContact CD2-CE2 4.33Å; L1508-F1564 HydrophobicContact CD2-CZ 4.32Å |
| 1509 | R | 82.5 | Confident | 79.7 | Confident | 177 Ų | 177 | 50.7 Ų | 50.7 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.3 | -41.8 | 177.3 | -79 | -174 | -69.9 | 176.3 | 1 | 111.8 | R1505 A1506 V1507 A1511 G1512 A1514 | R1505-R1509 WeakPolarHBondContact O-CB 3.48Å; R1505-R1509 WeakPolarHBondContact O-CG 3.07Å; R1505-R1509 PolarHBondContact O-N 3.28Å; R1505-R1509 PolarHBondContact O-NE 3.21Å; A1506-R1509 PolarHBondContact O-N 2.97Å; V1507-R1509 VanDerWaalsContact C-N 3.33Å; V1507-R1509 PolarHBondContact O-N 2.86Å; R1509-A1511 VanDerWaalsContact C-N 3.34Å; R1509-G1512 PolarHBondContact O-N 2.76Å; R1509-A1514 HydrophobicContact CG-CB 4.15Å |
| 1510 | Q | 80.5 | Confident | 79.9 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.1 | -35.4 | 179.1 | -173.7 | 166.5 | -2.5 | 0 | 0 | 112.2 | A1506 V1507 G1512 N1559 L1561 | A1506-Q1510 WeakPolarHBondContact O-CB 3.36Å; A1506-Q1510 PolarHBondContact O-N 2.77Å; V1507-Q1510 PolarHBondContact O-N 3.07Å; Q1510-G1512 VanDerWaalsContact C-N 3.31Å; Q1510-N1559 PolarHBondContact NE2-O 2.87Å; Q1510-L1561 PolarHBondContact OE1-O 3.49Å |
| 1511 | A | 78 | Confident | 80.2 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1507 R1509 L1513 F1564 V1599 | V1507-A1511 WeakPolarHBondContact O-CB 3.47Å; V1507-A1511 PolarHBondContact O-N 3.4Å; R1509-A1511 VanDerWaalsContact C-N 3.34Å; A1511-L1513 VanDerWaalsContact C-N 3.3Å; A1511-L1513 HydrophobicContact CB-CD1 4.09Å; A1511-L1513 HydrophobicContact CB-CG 4.03Å; A1511-F1564 HydrophobicContact CB-CD2 3.94Å; A1511-F1564 HydrophobicContact CB-CE2 4.33Å; A1511-V1599 HydrophobicContact CB-CG1 4.11Å; A1511-V1599 VanDerWaalsContact O-CG1 3.31Å; A1511-V1599 WeakPolarHBondContact O-CG1 3.1Å |
| 1512 | G | 78.3 | Confident | 80.4 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 15.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1508 R1509 Q1510 | L1508-G1512 PolarHBondContact O-N 3.19Å; L1508-G1512 VanDerWaalsContact O-N 3.16Å; R1509-G1512 PolarHBondContact O-N 2.76Å; Q1510-G1512 VanDerWaalsContact C-N 3.31Å |
| 1513 | L | 80.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -99.8 | 11.4 | -174.9 | -60.3 | 178.7 | 0 | 0 | 0 | 113.6 | L1508 A1511 G1515 G1516 F1564 L1581 V1599 A1602 | L1508-L1513 HydrophobicContact CD2-CB 4.04Å; L1508-L1513 PolarHBondContact O-N 3.29Å; A1511-L1513 VanDerWaalsContact C-N 3.3Å; A1511-L1513 HydrophobicContact CB-CD1 4.09Å; A1511-L1513 HydrophobicContact CB-CG 4.03Å; L1513-G1515 VanDerWaalsContact C-N 3.26Å; L1513-G1515 PolarHBondContact O-N 2.89Å; L1513-G1516 PolarHBondContact O-N 2.88Å; L1513-F1564 HydrophobicContact CD1-CD2 4.31Å; L1513-F1564 HydrophobicContact CD1-CE2 4.11Å; L1513-F1564 HydrophobicContact CD1-CZ 4.35Å; L1513-L1581 HydrophobicContact CD1-CD1 4.17Å; L1513-L1581 HydrophobicContact CD1-CG 4.46Å; L1513-V1599 HydrophobicContact CD1-CG2 4.36Å; L1513-A1602 HydrophobicContact CD2-CB 3.46Å; L1513-A1602 VanDerWaalsContact CD2-CB 3.46Å | ||
| 1514 | A | 72.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 55% | 0.554 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -68.5 | -21.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1508 R1509 | L1508-A1514 PolarHBondContact O-N 3.49Å; R1509-A1514 HydrophobicContact CG-CB 4.15Å |
| 1515 | G | 66.9 | Low | 80.6 | Confident | 51 Ų | 51 | 46.4 Ų | 46.4 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -90.6 | -22.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1513 R1585 | L1513-G1515 VanDerWaalsContact C-N 3.26Å; L1513-G1515 PolarHBondContact O-N 2.89Å; G1515-R1585 PolarHBondContact O-NH1 3.32Å; G1515-R1585 PolarHBondContact O-NH2 2.63Å |
| 1516 | G | 66.5 | Low | 80.3 | Confident | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -83.5 | 164.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1513 S1518 | L1513-G1516 PolarHBondContact O-N 2.88Å; G1516-S1518 PolarHBondContact O-N 3.41Å |
| 1517 | D | 78.8 | Confident | 79.7 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -88.3 | 78.5 | 173.4 | -163.8 | 30.3 | 0 | 0 | 0 | 111.2 | R1499 G1583 | R1499-D1517 IonicContact CZ-OD1 3.38Å; R1499-D1517 IonicContact NH2-OD1 2.84Å; R1499-D1517 PolarHBondContact NH2-OD1 2.82Å; D1517-G1583 PolarHBondContact O-N 2.93Å |
| 1518 | S | 83.5 | Confident | 78.9 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | trans | -78.4 | 129.1 | -179.8 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | G1516 A1520 L1581 | G1516-S1518 PolarHBondContact O-N 3.41Å; S1518-A1520 PolarHBondContact O-N 2.89Å; S1518-A1520 WeakPolarHBondContact OG-CB 3.33Å; S1518-A1520 PolarHBondContact OG-N 3.42Å; S1518-L1581 PolarHBondContact OG-O 2.94Å; S1518-L1581 VanDerWaalsContact OG-O 3.12Å | ||
| 1519 | P | 84.9 | Confident | 78.3 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | trans | -78.3 | 4.7 | 174.8 | 33.8 | -35.4 | 0 | 0 | 0 | 113.2 | F1492 L1536 P1537 A1580 L1581 | F1492-P1519 WeakPolarHBondContact CZ-O 3.5Å; P1519-L1536 HydrophobicContact CG-CD2 4.47Å; P1519-P1537 HydrophobicContact CB-CG 4.14Å; P1519-P1537 HydrophobicContact CG-CG 4.16Å; P1519-A1580 HydrophobicContact CG-CB 4.15Å; P1519-A1580 VanDerWaalsContact CG-O 3.22Å; P1519-A1580 WeakPolarHBondContact CG-O 3.42Å; P1519-L1581 WeakPolarHBondContact CD-O 3.35Å | ||
| 1520 | A | 87.2 | Confident | 77.8 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | trans | -62.1 | 139.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1498 S1518 V1534 A1535 L1536 F1564 | L1498-A1520 HydrophobicContact CB-CB 4.35Å; L1498-A1520 WeakPolarHBondContact CB-O 3.44Å; L1498-A1520 HydrophobicContact CD1-CB 4.08Å; L1498-A1520 HydrophobicContact CD2-CB 4.02Å; L1498-A1520 HydrophobicContact CG-CB 4.36Å; L1498-A1520 PolarHBondContact N-O 3.29Å; L1498-A1520 VanDerWaalsContact N-O 3.12Å; S1518-A1520 PolarHBondContact O-N 2.89Å; S1518-A1520 WeakPolarHBondContact OG-CB 3.33Å; S1518-A1520 PolarHBondContact OG-N 3.42Å; A1520-V1534 HydrophobicContact CB-CG1 4.1Å; A1520-A1535 WeakPolarHBondContact CA-O 3.36Å; A1520-L1536 HydrophobicContact CB-CD2 3.6Å; A1520-L1536 HydrophobicContact CB-CG 4.46Å; A1520-F1564 HydrophobicContact CB-CE1 3.99Å; A1520-F1564 HydrophobicContact CB-CZ 3.87Å | ||
| 1521 | R | 89.2 | Confident | 77.8 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.5 | 177.4 | -65.6 | -168.9 | 171.6 | -153.6 | -5.8 | 112.7 | F1492 S1493 A1495 R1496 L1498 A1535 | F1492-R1521 HydrophobicContact CD2-CB 4.27Å; F1492-R1521 HydrophobicContact CD2-CG 4.41Å; F1492-R1521 HydrophobicContact CE1-CG 4.21Å; F1492-R1521 HydrophobicContact CE2-CB 3.86Å; F1492-R1521 HydrophobicContact CE2-CG 3.81Å; F1492-R1521 HydrophobicContact CZ-CB 4.29Å; F1492-R1521 HydrophobicContact CZ-CG 3.7Å; F1492-R1521 WeakPolarHBondContact O-CD 3.31Å; F1492-R1521 PolarHBondContact O-NH1 2.93Å; S1493-R1521 PolarHBondContact O-NH1 3.4Å; A1495-R1521 HydrophobicContact CB-CB 3.85Å; A1495-R1521 PolarHBondContact O-NH1 2.89Å; R1496-R1521 CarbonylContact O-C 3.59Å; R1496-R1521 VanDerWaalsContact O-CA 3.3Å; R1496-R1521 WeakPolarHBondContact O-CA 3.47Å; R1496-R1521 WeakPolarHBondContact O-CB 3.43Å; L1498-R1521 WeakPolarHBondContact CD1-O 3.46Å; R1521-A1535 PolarHBondContact N-O 2.92Å; R1521-A1535 PolarHBondContact O-N 2.93Å |
| 1522 | F | 88.4 | Confident | 78.1 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.6 | 179.5 | 176.9 | -93.1 | 0 | 0 | 0 | 110.2 | R1496 L1498 V1501 A1503 A1524 P1532 L1553 | R1496-F1522 PolarHBondContact N-O 2.81Å; R1496-F1522 PolarHBondContact O-N 3.08Å; L1498-F1522 HydrophobicContact CD1-CB 4.04Å; V1501-F1522 HydrophobicContact CB-CB 4.44Å; V1501-F1522 HydrophobicContact CB-CD1 4.35Å; V1501-F1522 HydrophobicContact CB-CG 4.3Å; V1501-F1522 HydrophobicContact CG1-CD1 3.97Å; V1501-F1522 HydrophobicContact CG1-CD2 4.48Å; V1501-F1522 HydrophobicContact CG1-CE1 4.08Å; V1501-F1522 HydrophobicContact CG1-CG 4.18Å; V1501-F1522 HydrophobicContact CG1-CZ 4.39Å; V1501-F1522 HydrophobicContact CG2-CB 4.12Å; V1501-F1522 HydrophobicContact CG2-CD1 3.96Å; V1501-F1522 HydrophobicContact CG2-CG 4.19Å; A1503-F1522 HydrophobicContact CB-CE2 4.16Å; F1522-A1524 HydrophobicContact CE1-CB 4.03Å; F1522-P1532 HydrophobicContact CE2-CB 3.84Å; F1522-P1532 HydrophobicContact CZ-CB 3.89Å; F1522-L1553 HydrophobicContact CD2-CD1 3.72Å; F1522-L1553 HydrophobicContact CE2-CD1 3.53Å |
| 1523 | I | 85.6 | Confident | 78.6 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.9 | 173.1 | -61.1 | 176.9 | 0 | 0 | 0 | 108.7 | L1491 A1495 P1532 Y1533 A1535 I1548 L1550 | L1491-I1523 HydrophobicContact CD1-CD1 4.4Å; L1491-I1523 HydrophobicContact CD1-CG2 4.44Å; L1491-I1523 HydrophobicContact CD2-CD1 3.99Å; L1491-I1523 HydrophobicContact CG-CD1 3.91Å; A1495-I1523 HydrophobicContact CB-CG1 3.89Å; I1523-P1532 WeakPolarHBondContact O-CA 3.45Å; I1523-Y1533 PolarHBondContact N-O 2.64Å; I1523-Y1533 PolarHBondContact O-N 2.91Å; I1523-Y1533 VanDerWaalsContact O-N 3.12Å; I1523-A1535 HydrophobicContact CD1-CB 3.73Å; I1523-A1535 HydrophobicContact CG1-CB 4.16Å; I1523-I1548 HydrophobicContact CD1-CD1 4.34Å; I1523-L1550 HydrophobicContact CD1-CD2 3.53Å |
| 1524 | A | 80.8 | Confident | 79 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 149.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1522 | F1522-A1524 HydrophobicContact CE1-CB 4.03Š|
| 1525 | P | 78.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.8 | 175.7 | 25 | -31.6 | 0 | 0 | 0 | 111.3 | Y1529 P1530 | P1525-Y1529 CarbonylContact C-O 3.46Å; P1525-Y1529 VanDerWaalsContact CA-O 3.24Å; P1525-Y1529 WeakPolarHBondContact CA-O 3.26Å; P1525-P1530 WeakPolarHBondContact CB-O 3.42Å |
| 1526 | G | 76.1 | Confident | 80.9 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -154.3 | -176.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1528 Y1529 | G1526-K1528 PolarHBondContact O-N 3.46Å; G1526-K1528 VanDerWaalsContact O-N 3.09Å; G1526-Y1529 PolarHBondContact N-O 3.24Å; G1526-Y1529 CarbonylContact O-C 3.48Å; G1526-Y1529 PolarHBondContact O-N 3.32Å; G1526-Y1529 VanDerWaalsContact O-N 3.09Å; G1526-Y1529 VanDerWaalsContact O-O 3.05Å |
| 1527 | R | 69.3 | Low | 82.1 | Confident | 267 Ų | 267 | 57.1 Ų | 57.1 | 100% | 1.008 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.4 | -175.6 | -85.2 | -173.9 | 176.9 | 176.2 | -0.5 | 114.5 | ||
| 1528 | K | 65.7 | Low | 82.7 | Confident | 176 Ų | 176 | 53.6 Ų | 53.6 | 77% | 0.765 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -17.3 | -177.7 | -154.7 | 170.3 | -177.1 | 175.8 | 0 | 113.3 | G1526 | G1526-K1528 PolarHBondContact O-N 3.46Å; G1526-K1528 VanDerWaalsContact O-N 3.09Å |
| 1529 | Y | 69.2 | Low | 83 | Confident | 36 Ų | 36 | 54 Ų | 54 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -139.3 | 89.1 | -179.9 | -63.7 | -74.4 | 0 | 0 | 0 | 108.9 | L1491 P1525 G1526 Q1531 Y1533 K1571 | L1491-Y1529 HydrophobicContact CD2-CE2 4.02Å; P1525-Y1529 CarbonylContact C-O 3.46Å; P1525-Y1529 VanDerWaalsContact CA-O 3.24Å; P1525-Y1529 WeakPolarHBondContact CA-O 3.26Å; G1526-Y1529 PolarHBondContact N-O 3.24Å; G1526-Y1529 CarbonylContact O-C 3.48Å; G1526-Y1529 PolarHBondContact O-N 3.32Å; G1526-Y1529 VanDerWaalsContact O-N 3.09Å; G1526-Y1529 VanDerWaalsContact O-O 3.05Å; Y1529-Q1531 PolarHBondContact O-N 3.37Å; Y1529-Y1533 HydrophobicContact CD1-CE2 4.25Å; Y1529-K1571 WeakPolarHBondContact OH-CD 3.1Å; Y1529-K1571 WeakPolarHBondContact OH-CE 3.46Å; Y1529-K1571 PolarHBondContact OH-NZ 3.18Å |
| 1530 | P | 73.2 | Confident | 83.2 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 71% | 0.714 | 27% | 0.27 | S | S | * | . | trans | -71.1 | -12.5 | -169.4 | 25.1 | -32.9 | 0 | 0 | 0 | 114.7 | P1525 | P1525-P1530 WeakPolarHBondContact CB-O 3.42Š| ||
| 1531 | Q | 80 | Confident | 83.1 | Confident | 111 Ų | 111 | 56.4 Ų | 56.4 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -117.8 | 153.9 | 178.5 | -67.1 | 178.4 | -6.8 | 0 | 0 | 110.5 | Y1529 Y1533 | Y1529-Q1531 PolarHBondContact O-N 3.37Å; Q1531-Y1533 HydrophobicContact CB-CE2 4.4Å; Q1531-Y1533 WeakPolarHBondContact O-CD2 3.31Å; Q1531-Y1533 WeakPolarHBondContact O-CE2 3.43Å |
| 1532 | P | 85 | Confident | 82.8 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | trans | -72.6 | 145.5 | 176.3 | 27.9 | -31.8 | 0 | 0 | 0 | 112.1 | F1522 I1523 L1553 | F1522-P1532 HydrophobicContact CE2-CB 3.84Å; F1522-P1532 HydrophobicContact CZ-CB 3.89Å; I1523-P1532 WeakPolarHBondContact O-CA 3.45Å; P1532-L1553 HydrophobicContact CB-CB 4.43Å; P1532-L1553 HydrophobicContact CB-CD1 4.18Å; P1532-L1553 HydrophobicContact CG-CB 4.12Å; P1532-L1553 PolarHBondContact O-N 3.26Å | ||
| 1533 | Y | 87.8 | Confident | 82.3 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.2 | 179.9 | -69.9 | -99.9 | 0 | 0 | 0 | 112 | I1523 Y1529 Q1531 L1550 N1551 P1552 | I1523-Y1533 PolarHBondContact N-O 2.64Å; I1523-Y1533 PolarHBondContact O-N 2.91Å; I1523-Y1533 VanDerWaalsContact O-N 3.12Å; Y1529-Y1533 HydrophobicContact CD1-CE2 4.25Å; Q1531-Y1533 HydrophobicContact CB-CE2 4.4Å; Q1531-Y1533 WeakPolarHBondContact O-CD2 3.31Å; Q1531-Y1533 WeakPolarHBondContact O-CE2 3.43Å; Y1533-L1550 HydrophobicContact CD1-CB 3.98Å; Y1533-N1551 CarbonylContact C-O 3.54Å; Y1533-N1551 WeakPolarHBondContact CA-O 3.37Å; Y1533-P1552 HydrophobicContact CD1-CB 4.09Å; Y1533-P1552 HydrophobicContact CE1-CB 3.79Å; Y1533-P1552 HydrophobicContact CE1-CG 4.38Å |
| 1534 | V | 89.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.4 | 156 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | L1498 V1507 A1520 N1551 L1553 F1564 | L1498-V1534 HydrophobicContact CD1-CG1 3.99Å; L1498-V1534 HydrophobicContact CD1-CG2 4.28Å; L1498-V1534 HydrophobicContact CD2-CG1 4.39Å; V1507-V1534 HydrophobicContact CG1-CG2 4.45Å; A1520-V1534 HydrophobicContact CB-CG1 4.1Å; V1534-N1551 PolarHBondContact N-O 3.44Å; V1534-N1551 PolarHBondContact O-N 3.33Å; V1534-L1553 HydrophobicContact CG2-CD1 4.15Å; V1534-L1553 HydrophobicContact CG2-CD2 3.49Å; V1534-L1553 VanDerWaalsContact CG2-CD2 3.49Å; V1534-L1553 HydrophobicContact CG2-CG 3.77Å; V1534-F1564 HydrophobicContact CG1-CD1 4.37Å; V1534-F1564 HydrophobicContact CG1-CE1 3.8Å; V1534-F1564 HydrophobicContact CG1-CZ 4.07Å |
| 1535 | A | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1492 A1520 R1521 I1523 I1548 W1549 L1550 | F1492-A1535 HydrophobicContact CD2-CB 3.94Å; F1492-A1535 HydrophobicContact CE2-CB 4.12Å; A1520-A1535 WeakPolarHBondContact CA-O 3.36Å; R1521-A1535 PolarHBondContact N-O 2.92Å; R1521-A1535 PolarHBondContact O-N 2.93Å; I1523-A1535 HydrophobicContact CD1-CB 3.73Å; I1523-A1535 HydrophobicContact CG1-CB 4.16Å; A1535-I1548 HydrophobicContact CB-CD1 4.39Å; A1535-W1549 CarbonylContact C-O 3.6Å; A1535-W1549 WeakPolarHBondContact CA-O 3.38Å; A1535-L1550 HydrophobicContact CB-CD2 3.81Å |
| 1536 | L | 90.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146 | 168.9 | -71.2 | 168.6 | 0 | 0 | 0 | 109.5 | P1519 A1520 I1548 W1549 F1564 V1579 A1580 L1581 M1595 | P1519-L1536 HydrophobicContact CG-CD2 4.47Å; A1520-L1536 HydrophobicContact CB-CD2 3.6Å; A1520-L1536 HydrophobicContact CB-CG 4.46Å; L1536-I1548 CarbonylContact O-C 3.6Å; L1536-I1548 VanDerWaalsContact O-CA 3.26Å; L1536-I1548 WeakPolarHBondContact O-CA 3.49Å; L1536-W1549 HydrophobicContact CB-CE3 4.4Å; L1536-W1549 HydrophobicContact CD1-CE3 3.91Å; L1536-W1549 HydrophobicContact CD1-CZ3 4.03Å; L1536-W1549 HydrophobicContact CG-CE3 4.44Å; L1536-W1549 PolarHBondContact N-O 3.25Å; L1536-W1549 PolarHBondContact O-N 3.24Å; L1536-F1564 HydrophobicContact CD1-CD1 3.96Å; L1536-F1564 HydrophobicContact CD1-CE1 3.95Å; L1536-F1564 HydrophobicContact CD2-CE1 4.12Å; L1536-F1564 HydrophobicContact CG-CE1 4.22Å; L1536-V1579 HydrophobicContact CB-CG1 3.32Å; L1536-V1579 HydrophobicContact CD1-CG1 3.59Å; L1536-V1579 HydrophobicContact CG-CG1 4.05Å; L1536-A1580 WeakPolarHBondContact CD2-O 3.1Å; L1536-L1581 HydrophobicContact CD1-CD1 3.91Å; L1536-L1581 HydrophobicContact CD2-CD1 4.5Å; L1536-M1595 HydrophobicContact CD1-CE 3.83Å; L1536-M1595 HydrophobicContact CD1-SD 4.16Å |
| 1537 | P | 91.5 | Very high | 83.3 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.8 | 174 | 29.8 | -32.4 | 0 | 0 | 0 | 110 | F1492 P1519 F1539 V1579 A1580 | F1492-P1537 HydrophobicContact CZ-CB 4.39Å; F1492-P1537 HydrophobicContact CZ-CG 4.31Å; P1519-P1537 HydrophobicContact CB-CG 4.14Å; P1519-P1537 HydrophobicContact CG-CG 4.16Å; P1537-F1539 HydrophobicContact CB-CE2 3.77Å; P1537-F1539 HydrophobicContact CB-CZ 4.01Å; P1537-F1539 HydrophobicContact CG-CE2 3.96Å; P1537-F1539 HydrophobicContact CG-CZ 4.33Å; P1537-F1539 WeakPolarHBondContact O-CE2 3.33Å; P1537-V1579 WeakPolarHBondContact O-CA 3.34Å; P1537-A1580 HydrophobicContact CG-CB 4.13Å; P1537-A1580 PolarHBondContact O-N 3.19Å |
| 1538 | A | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1546 G1547 W1549 A1576 F1578 V1579 | A1538-A1546 PolarHBondContact O-N 3.17Å; A1538-G1547 PolarHBondContact N-O 3.38Å; A1538-G1547 PolarHBondContact O-N 3.41Å; A1538-W1549 HydrophobicContact CB-CB 4.49Å; A1538-A1576 HydrophobicContact CB-CB 4.13Å; A1538-F1578 CarbonylContact C-O 3.58Å; A1538-F1578 VanDerWaalsContact CA-O 3.27Å; A1538-F1578 WeakPolarHBondContact CA-O 3.3Å; A1538-V1579 HydrophobicContact CB-CG2 4.26Å |
| 1539 | F | 90.3 | Very high | 85.4 | Confident | 23 Ų | 23 | 29 Ų | 29 | 10% | 0.101 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.6 | -170.3 | -59.8 | -95.8 | 0 | 0 | 0 | 111.8 | P1537 G1543 K1544 Q1577 F1578 A1580 I1626 | P1537-F1539 HydrophobicContact CB-CE2 3.77Å; P1537-F1539 HydrophobicContact CB-CZ 4.01Å; P1537-F1539 HydrophobicContact CG-CE2 3.96Å; P1537-F1539 HydrophobicContact CG-CZ 4.33Å; P1537-F1539 WeakPolarHBondContact O-CE2 3.33Å; F1539-G1543 WeakPolarHBondContact CD1-O 3.24Å; F1539-K1544 CarbonylContact C-O 3.59Å; F1539-K1544 WeakPolarHBondContact CA-O 3.4Å; F1539-Q1577 PolarHBondContact O-N 2.78Å; F1539-F1578 HydrophobicContact CB-CB 4.5Å; F1539-F1578 PolarHBondContact N-O 3Å; F1539-F1578 PolarHBondContact O-N 2.86Å; F1539-A1580 HydrophobicContact CD2-CB 4.46Å; F1539-A1580 HydrophobicContact CE2-CB 3.72Å; F1539-I1626 HydrophobicContact CB-CD1 4.14Å; F1539-I1626 HydrophobicContact CB-CG1 4.08Å; F1539-I1626 HydrophobicContact CD1-CG1 4.05Å; F1539-I1626 HydrophobicContact CD2-CB 4.42Å; F1539-I1626 HydrophobicContact CD2-CG1 4.22Å; F1539-I1626 HydrophobicContact CD2-CG2 3.78Å; F1539-I1626 HydrophobicContact CE2-CG2 3.92Å; F1539-I1626 HydrophobicContact CG-CD1 4.43Å; F1539-I1626 HydrophobicContact CG-CG1 3.87Å; F1539-I1626 HydrophobicContact CG-CG2 4.3Å |
| 1540 | D | 87.9 | Confident | 86.3 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | trans | -80.6 | 179.4 | 170.1 | 70.6 | 18.1 | 0 | 0 | 0 | 111.7 | K1480 N1542 G1543 K1544 A1546 D1575 | K1480-D1540 IonicContact NZ-OD2 3.74Å; D1540-N1542 PolarHBondContact O-N 3.26Å; D1540-N1542 WeakPolarHBondContact OD1-CA 3.32Å; D1540-N1542 WeakPolarHBondContact OD1-CB 3.36Å; D1540-N1542 PolarHBondContact OD1-N 3.06Å; D1540-G1543 PolarHBondContact O-N 2.7Å; D1540-G1543 PolarHBondContact OD1-N 3.23Å; D1540-G1543 VanDerWaalsContact OD1-N 3.1Å; D1540-K1544 PolarHBondContact N-O 3.3Å; D1540-K1544 PolarHBondContact OD1-N 3.24Å; D1540-K1544 WeakPolarHBondContact OD2-CB 3.28Å; D1540-A1546 HydrophobicContact CB-CB 4.32Å; D1540-D1575 WeakPolarHBondContact CA-O 3.3Å; D1540-D1575 HydrophobicContact CB-CB 4.34Å | ||
| 1541 | R | 85.6 | Confident | 87.1 | Confident | 83 Ų | 83 | 22.1 Ų | 22.1 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.1 | 179.2 | -162.5 | 176.1 | 174.6 | 170.4 | 3.6 | 114.1 | G1543 F1578 P1620 W1621 | R1541-G1543 VanDerWaalsContact C-N 3.26Å; R1541-F1578 HydrophobicContact CB-CE2 4.31Å; R1541-F1578 HydrophobicContact CG-CE2 4.3Å; R1541-P1620 WeakPolarHBondContact O-CA 3.4Å; R1541-W1621 VanDerWaalsContact O-CD1 3.29Å; R1541-W1621 PolarHBondContact O-N 2.79Å |
| 1542 | N | 82.6 | Confident | 87.3 | Confident | 45 Ų | 45 | 18.3 Ų | 18.3 | 24% | 0.241 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.2 | 178.8 | -63.3 | -17.4 | 0 | 0 | 0 | 112 | R1125 D1540 K1544 N1622 | R1125-N1542 PolarHBondContact O-ND2 3.28Å; D1540-N1542 PolarHBondContact O-N 3.26Å; D1540-N1542 WeakPolarHBondContact OD1-CA 3.32Å; D1540-N1542 WeakPolarHBondContact OD1-CB 3.36Å; D1540-N1542 PolarHBondContact OD1-N 3.06Å; N1542-K1544 VanDerWaalsContact C-N 3.34Å; N1542-K1544 HydrophobicContact CB-CG 4.34Å; N1542-N1622 WeakPolarHBondContact O-CB 3.16Å |
| 1543 | G | 79.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 76.2 | 18.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1539 D1540 R1541 A1625 | F1539-G1543 WeakPolarHBondContact CD1-O 3.24Å; D1540-G1543 PolarHBondContact O-N 2.7Å; D1540-G1543 PolarHBondContact OD1-N 3.23Å; D1540-G1543 VanDerWaalsContact OD1-N 3.1Å; R1541-G1543 VanDerWaalsContact C-N 3.26Å; G1543-A1625 VanDerWaalsContact O-CB 3.31Å; G1543-A1625 WeakPolarHBondContact O-CB 3.34Å |
| 1544 | K | 83.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 18.6 Ų | 18.6 | 14% | 0.143 | 10% | 0.1 | C | C | . | . | trans | -89.4 | 149.2 | 175.1 | -54.6 | -65.3 | 173.6 | -178.1 | 0 | 110.6 | Q1123 S1126 F1539 D1540 N1542 A1546 | Q1123-K1544 WeakPolarHBondContact O-CE 3.48Å; Q1123-K1544 PolarHBondContact O-NZ 3.45Å; S1126-K1544 WeakPolarHBondContact O-CE 3.38Å; F1539-K1544 CarbonylContact C-O 3.59Å; F1539-K1544 WeakPolarHBondContact CA-O 3.4Å; D1540-K1544 PolarHBondContact N-O 3.3Å; D1540-K1544 PolarHBondContact OD1-N 3.24Å; D1540-K1544 WeakPolarHBondContact OD2-CB 3.28Å; N1542-K1544 VanDerWaalsContact C-N 3.34Å; N1542-K1544 HydrophobicContact CB-CG 4.34Å; K1544-A1546 PolarHBondContact O-N 2.82Å | ||
| 1545 | S | 84.5 | Confident | 85.7 | Confident | 46 Ų | 46 | 23.3 Ų | 23.3 | 32% | 0.322 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 120.6 | 176.2 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | E1489 | E1489-S1545 VanDerWaalsContact OE1-CB 3.23Å; E1489-S1545 WeakPolarHBondContact OE1-CB 3.45Å; E1489-S1545 PolarHBondContact OE1-OG 2.84Å |
| 1546 | A | 85 | Confident | 84.3 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 9.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1538 D1540 K1544 G1572 S1573 A1576 | A1538-A1546 PolarHBondContact O-N 3.17Å; D1540-A1546 HydrophobicContact CB-CB 4.32Å; K1544-A1546 PolarHBondContact O-N 2.82Å; A1546-G1572 CarbonylContact O-C 3.58Å; A1546-G1572 WeakPolarHBondContact O-CA 3.46Å; A1546-S1573 PolarHBondContact O-N 3.13Å; A1546-A1576 HydrophobicContact CB-CB 3.73Å |
| 1547 | G | 87.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.8 | -145 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1538 | A1538-G1547 PolarHBondContact N-O 3.38Å; A1538-G1547 PolarHBondContact O-N 3.41Å |
| 1548 | I | 90.5 | Very high | 80.6 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.9 | -179.9 | 65.2 | -176 | 0 | 0 | 0 | 112 | A1488 L1491 F1492 I1523 A1535 L1536 L1550 V1570 K1571 | A1488-I1548 HydrophobicContact CB-CD1 4.41Å; A1488-I1548 HydrophobicContact CB-CG1 4.05Å; A1488-I1548 HydrophobicContact CB-CG2 4.45Å; L1491-I1548 HydrophobicContact CB-CD1 4.47Å; L1491-I1548 HydrophobicContact CD2-CD1 3.99Å; L1491-I1548 HydrophobicContact CG-CD1 4.3Å; F1492-I1548 HydrophobicContact CB-CG2 3.78Å; F1492-I1548 HydrophobicContact CD2-CG2 3.68Å; F1492-I1548 HydrophobicContact CG-CG2 3.9Å; I1523-I1548 HydrophobicContact CD1-CD1 4.34Å; A1535-I1548 HydrophobicContact CB-CD1 4.39Å; L1536-I1548 CarbonylContact O-C 3.6Å; L1536-I1548 VanDerWaalsContact O-CA 3.26Å; L1536-I1548 WeakPolarHBondContact O-CA 3.49Å; I1548-L1550 HydrophobicContact CD1-CD2 3.73Å; I1548-L1550 HydrophobicContact CD1-CG 4.21Å; I1548-L1550 HydrophobicContact CG1-CD2 4.08Å; I1548-L1550 HydrophobicContact CG1-CG 4.11Å; I1548-V1570 CarbonylContact O-C 3.57Å; I1548-V1570 WeakPolarHBondContact O-CA 3.49Å; I1548-K1571 HydrophobicContact CG1-CB 4.1Å; I1548-K1571 PolarHBondContact N-O 3.49Å; I1548-K1571 PolarHBondContact O-N 3.33Å |
| 1549 | W | 90.4 | Very high | 78.8 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.4 | 168.3 | -176.1 | 85.4 | 0 | 0 | 0 | 109.5 | A1535 L1536 A1538 N1551 S1565 V1579 M1595 | A1535-W1549 CarbonylContact C-O 3.6Å; A1535-W1549 WeakPolarHBondContact CA-O 3.38Å; L1536-W1549 HydrophobicContact CB-CE3 4.4Å; L1536-W1549 HydrophobicContact CD1-CE3 3.91Å; L1536-W1549 HydrophobicContact CD1-CZ3 4.03Å; L1536-W1549 HydrophobicContact CG-CE3 4.44Å; L1536-W1549 PolarHBondContact N-O 3.25Å; L1536-W1549 PolarHBondContact O-N 3.24Å; A1538-W1549 HydrophobicContact CB-CB 4.49Å; W1549-N1551 HydrophobicContact CE3-CB 4.05Å; W1549-N1551 HydrophobicContact CH2-CB 3.51Å; W1549-N1551 HydrophobicContact CZ2-CB 4.28Å; W1549-N1551 HydrophobicContact CZ3-CB 3.37Å; W1549-S1565 VanDerWaalsContact CH2-O 3.24Å; W1549-S1565 WeakPolarHBondContact CH2-O 3.31Å; W1549-V1579 HydrophobicContact CB-CG1 4.37Å; W1549-V1579 HydrophobicContact CB-CG2 3.7Å; W1549-V1579 HydrophobicContact CG-CG2 4.04Å; W1549-M1595 HydrophobicContact CD2-CE 4.23Å; W1549-M1595 HydrophobicContact CE3-CE 3.91Å; W1549-M1595 HydrophobicContact CH2-CE 3.71Å; W1549-M1595 HydrophobicContact CH2-CG 3.99Å; W1549-M1595 HydrophobicContact CH2-SD 4.38Å; W1549-M1595 HydrophobicContact CZ2-CE 4.07Å; W1549-M1595 HydrophobicContact CZ3-CE 3.63Å; W1549-M1595 HydrophobicContact CZ3-SD 4.37Å |
| 1550 | L | 88 | Confident | 77.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.4 | -176.7 | -66.8 | 175.8 | 0 | 0 | 0 | 110.4 | I1523 Y1533 A1535 I1548 G1568 R1569 K1571 | I1523-L1550 HydrophobicContact CD1-CD2 3.53Å; Y1533-L1550 HydrophobicContact CD1-CB 3.98Å; A1535-L1550 HydrophobicContact CB-CD2 3.81Å; I1548-L1550 HydrophobicContact CD1-CD2 3.73Å; I1548-L1550 HydrophobicContact CD1-CG 4.21Å; I1548-L1550 HydrophobicContact CG1-CD2 4.08Å; I1548-L1550 HydrophobicContact CG1-CG 4.11Å; L1550-G1568 CarbonylContact O-C 3.56Å; L1550-G1568 WeakPolarHBondContact O-CA 3.47Å; L1550-R1569 HydrophobicContact CB-CG 4.24Å; L1550-R1569 PolarHBondContact N-O 3.46Å; L1550-R1569 PolarHBondContact O-N 3.02Å; L1550-K1571 HydrophobicContact CD1-CB 3.91Å; L1550-K1571 HydrophobicContact CD1-CD 4.1Å; L1550-K1571 HydrophobicContact CG-CB 4.48Å |
| 1551 | N | 88.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121 | 174.7 | 179.4 | -119.1 | 0 | 0 | 0 | 110.4 | Y1533 V1534 W1549 G1563 F1564 S1565 E1567 | Y1533-N1551 CarbonylContact C-O 3.54Å; Y1533-N1551 WeakPolarHBondContact CA-O 3.37Å; V1534-N1551 PolarHBondContact N-O 3.44Å; V1534-N1551 PolarHBondContact O-N 3.33Å; W1549-N1551 HydrophobicContact CE3-CB 4.05Å; W1549-N1551 HydrophobicContact CH2-CB 3.51Å; W1549-N1551 HydrophobicContact CZ2-CB 4.28Å; W1549-N1551 HydrophobicContact CZ3-CB 3.37Å; N1551-G1563 WeakPolarHBondContact OD1-CA 3.5Å; N1551-F1564 PolarHBondContact OD1-N 2.91Å; N1551-S1565 PolarHBondContact ND2-O 3.49Å; N1551-S1565 PolarHBondContact ND2-OG 2.85Å; N1551-S1565 PolarHBondContact OD1-N 3.4Å; N1551-E1567 PolarHBondContact ND2-O 3.46Å |
| 1552 | P | 84.1 | Confident | 75.7 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 137 | 179.4 | 26.6 | -32.2 | 0 | 0 | 0 | 110.6 | Y1533 T1554 | Y1533-P1552 HydrophobicContact CD1-CB 4.09Å; Y1533-P1552 HydrophobicContact CE1-CB 3.79Å; Y1533-P1552 HydrophobicContact CE1-CG 4.38Å; P1552-T1554 PolarHBondContact O-N 3.34Å |
| 1553 | L | 82 | Confident | 75.1 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | trans | -79 | 115.2 | 172.6 | -77.1 | 169.9 | 0 | 0 | 0 | 109.3 | V1507 F1522 P1532 V1534 R1562 | V1507-L1553 HydrophobicContact CB-CD2 4.44Å; V1507-L1553 HydrophobicContact CG1-CD2 4.27Å; V1507-L1553 HydrophobicContact CG2-CD2 3.41Å; V1507-L1553 VanDerWaalsContact CG2-CD2 3.41Å; F1522-L1553 HydrophobicContact CD2-CD1 3.72Å; F1522-L1553 HydrophobicContact CE2-CD1 3.53Å; P1532-L1553 HydrophobicContact CB-CB 4.43Å; P1532-L1553 HydrophobicContact CB-CD1 4.18Å; P1532-L1553 HydrophobicContact CG-CB 4.12Å; P1532-L1553 PolarHBondContact O-N 3.26Å; V1534-L1553 HydrophobicContact CG2-CD1 4.15Å; V1534-L1553 HydrophobicContact CG2-CD2 3.49Å; V1534-L1553 VanDerWaalsContact CG2-CD2 3.49Å; V1534-L1553 HydrophobicContact CG2-CG 3.77Å; L1553-R1562 WeakPolarHBondContact CD2-O 3.37Å | ||
| 1554 | T | 77.8 | Confident | 75.1 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 37% | 0.368 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 149.4 | -179.4 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | P1552 R1562 | P1552-T1554 PolarHBondContact O-N 3.34Å; T1554-R1562 PolarHBondContact N-O 3.19Å; T1554-R1562 PolarHBondContact O-N 3.36Å |
| 1555 | T | 69 | Low | 74.6 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.7 | 172.9 | 49 | 0 | 0 | 0 | 0 | 108 | L1561 | T1555-L1561 HydrophobicContact CG2-CD2 3.65Å; T1555-L1561 HydrophobicContact CG2-CG 4.34Å |
| 1556 | D | 60.3 | Low | 73.8 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | trans | -76.7 | 147.1 | 164 | -86.3 | -16.8 | 0 | 0 | 0 | 109.1 | G1558 R1562 | D1556-G1558 PolarHBondContact O-N 3.47Å; D1556-R1562 IonicContact OD2-CZ 3.57Å; D1556-R1562 IonicContact OD2-NE 3.08Å; D1556-R1562 PolarHBondContact OD2-NE 3.25Å; D1556-R1562 VanDerWaalsContact OD2-NE 3.09Å; D1556-R1562 IonicContact OD2-NH1 3.13Å; D1556-R1562 PolarHBondContact OD2-NH1 3.34Å; D1556-R1562 VanDerWaalsContact OD2-NH1 3.1Å; D1556-R1562 IonicContact OD2-NH2 2.7Å; D1556-R1562 PolarHBondContact OD2-NH2 3.28Å | ||
| 1557 | D | 52.7 | Low | 73.1 | Confident | 181 Ų | 181 | 56.6 Ų | 56.6 | 97% | 0.968 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 39.7 | -176.1 | -71.6 | -30.4 | 0 | 0 | 0 | 114.9 | ||
| 1558 | G | 52 | Low | 72.7 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.6 | -0.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | D1556 | D1556-G1558 PolarHBondContact O-N 3.47Š|
| 1559 | N | 53.7 | Low | 72.4 | Confident | 147 Ų | 147 | 64.3 Ų | 64.3 | 79% | 0.786 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -149.7 | 33.5 | -171.1 | -108.1 | -9.6 | 0 | 0 | 0 | 118.3 | Q1510 | Q1510-N1559 PolarHBondContact NE2-O 2.87Š|
| 1560 | G | 60.4 | Low | 72.2 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | trans | 103.6 | 170.1 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1562 | G1560-R1562 PolarHBondContact O-N 3.15Š| ||
| 1561 | L | 69.2 | Low | 72 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115 | -177.8 | -79.1 | 158.2 | 0 | 0 | 0 | 110.8 | A1503 V1507 Q1510 T1555 | A1503-L1561 HydrophobicContact CB-CD1 3.83Å; V1507-L1561 HydrophobicContact CG2-CB 3.86Å; V1507-L1561 WeakPolarHBondContact CG2-O 3.49Å; Q1510-L1561 PolarHBondContact OE1-O 3.49Å; T1555-L1561 HydrophobicContact CG2-CD2 3.65Å; T1555-L1561 HydrophobicContact CG2-CG 4.34Å |
| 1562 | R | 69.1 | Low | 71.7 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.5 | 172.7 | -75 | -172.7 | 175.7 | 178.7 | 3.9 | 111 | L1553 T1554 D1556 G1560 | L1553-R1562 WeakPolarHBondContact CD2-O 3.37Å; T1554-R1562 PolarHBondContact N-O 3.19Å; T1554-R1562 PolarHBondContact O-N 3.36Å; D1556-R1562 IonicContact OD2-CZ 3.57Å; D1556-R1562 IonicContact OD2-NE 3.08Å; D1556-R1562 PolarHBondContact OD2-NE 3.25Å; D1556-R1562 VanDerWaalsContact OD2-NE 3.09Å; D1556-R1562 IonicContact OD2-NH1 3.13Å; D1556-R1562 PolarHBondContact OD2-NH1 3.34Å; D1556-R1562 VanDerWaalsContact OD2-NH1 3.1Å; D1556-R1562 IonicContact OD2-NH2 2.7Å; D1556-R1562 PolarHBondContact OD2-NH2 3.28Å; G1560-R1562 PolarHBondContact O-N 3.15Å |
| 1563 | G | 70.7 | Confident | 71.5 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | trans | -139.7 | 171.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N1551 S1565 | N1551-G1563 WeakPolarHBondContact OD1-CA 3.5Å; G1563-S1565 VanDerWaalsContact C-N 3.32Å | ||
| 1564 | F | 78.2 | Confident | 71.2 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.035 | 44% | 0.436 | C | S | . | . | S | Bend | trans | 64.4 | 31.2 | -171 | -47.1 | -75.8 | 0 | 0 | 0 | 113.7 | L1498 V1507 L1508 A1511 L1513 A1520 V1534 L1536 N1551 L1581 M1595 V1599 | L1498-F1564 HydrophobicContact CD2-CE2 4.15Å; L1498-F1564 HydrophobicContact CD2-CZ 3.87Å; V1507-F1564 HydrophobicContact CG1-CD2 3.96Å; V1507-F1564 HydrophobicContact CG1-CE2 3.76Å; L1508-F1564 HydrophobicContact CD2-CE2 4.33Å; L1508-F1564 HydrophobicContact CD2-CZ 4.32Å; A1511-F1564 HydrophobicContact CB-CD2 3.94Å; A1511-F1564 HydrophobicContact CB-CE2 4.33Å; L1513-F1564 HydrophobicContact CD1-CD2 4.31Å; L1513-F1564 HydrophobicContact CD1-CE2 4.11Å; L1513-F1564 HydrophobicContact CD1-CZ 4.35Å; A1520-F1564 HydrophobicContact CB-CE1 3.99Å; A1520-F1564 HydrophobicContact CB-CZ 3.87Å; V1534-F1564 HydrophobicContact CG1-CD1 4.37Å; V1534-F1564 HydrophobicContact CG1-CE1 3.8Å; V1534-F1564 HydrophobicContact CG1-CZ 4.07Å; L1536-F1564 HydrophobicContact CD1-CD1 3.96Å; L1536-F1564 HydrophobicContact CD1-CE1 3.95Å; L1536-F1564 HydrophobicContact CD2-CE1 4.12Å; L1536-F1564 HydrophobicContact CG-CE1 4.22Å; N1551-F1564 PolarHBondContact OD1-N 2.91Å; F1564-L1581 HydrophobicContact CD1-CD1 3.77Å; F1564-L1581 HydrophobicContact CE1-CD1 3.87Å; F1564-M1595 HydrophobicContact CB-CG 4.23Å; F1564-M1595 HydrophobicContact CB-SD 4.47Å; F1564-M1595 HydrophobicContact CD1-SD 4.49Å; F1564-M1595 WeakPolarHBondContact O-CG 3.41Å; F1564-V1599 HydrophobicContact CB-CG2 3.82Å; F1564-V1599 HydrophobicContact CG-CG2 4.42Å |
| 1565 | S | 72.5 | Confident | 71.2 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 29% | 0.287 | 44% | 0.44 | S | S | . | . | trans | -73 | 159.5 | 171.3 | 66 | 0 | 0 | 0 | 0 | 111.2 | W1549 N1551 G1563 E1567 | W1549-S1565 VanDerWaalsContact CH2-O 3.24Å; W1549-S1565 WeakPolarHBondContact CH2-O 3.31Å; N1551-S1565 PolarHBondContact ND2-O 3.49Å; N1551-S1565 PolarHBondContact ND2-OG 2.85Å; N1551-S1565 PolarHBondContact OD1-N 3.4Å; G1563-S1565 VanDerWaalsContact C-N 3.32Å; S1565-E1567 PolarHBondContact O-N 3.28Å; S1565-E1567 VanDerWaalsContact O-N 3.13Å | ||
| 1566 | G | 68.3 | Low | 72 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 55% | 0.546 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -64 | -14.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1568 | G1566-G1568 PolarHBondContact O-N 3.2Š|
| 1567 | E | 70.9 | Confident | 73.4 | Confident | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.752 | 41% | 0.405 | S | S | * | . | trans | -89.7 | 92.2 | 179.1 | -65.3 | -176 | 173.3 | 0 | 0 | 110.9 | N1551 S1565 | N1551-E1567 PolarHBondContact ND2-O 3.46Å; S1565-E1567 PolarHBondContact O-N 3.28Å; S1565-E1567 VanDerWaalsContact O-N 3.13Å | ||
| 1568 | G | 77.4 | Confident | 75.3 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | trans | -140.8 | 161.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1550 G1566 | L1550-G1568 CarbonylContact O-C 3.56Å; L1550-G1568 WeakPolarHBondContact O-CA 3.47Å; G1566-G1568 PolarHBondContact O-N 3.2Å | ||
| 1569 | R | 86.1 | Confident | 77.2 | Confident | 132 Ų | 132 | 55.4 Ų | 55.4 | 50% | 0.498 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.2 | -179.4 | 64.5 | 178.3 | 176.2 | -180 | -6 | 111.1 | L1550 | L1550-R1569 HydrophobicContact CB-CG 4.24Å; L1550-R1569 PolarHBondContact N-O 3.46Å; L1550-R1569 PolarHBondContact O-N 3.02Å |
| 1570 | V | 85.3 | Confident | 79 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.3 | 169.5 | 179 | 0 | 0 | 0 | 0 | 109.1 | I1548 A1576 I1614 | I1548-V1570 CarbonylContact O-C 3.57Å; I1548-V1570 WeakPolarHBondContact O-CA 3.49Å; V1570-A1576 HydrophobicContact CB-CB 4.37Å; V1570-A1576 HydrophobicContact CG1-CB 3.58Å; V1570-A1576 HydrophobicContact CG2-CB 3.96Å; V1570-I1614 HydrophobicContact CG2-CD1 3.43Å; V1570-I1614 VanDerWaalsContact CG2-CD1 3.43Å |
| 1571 | K | 83.9 | Confident | 80.4 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 108.3 | 163.3 | -175.7 | -175.2 | 176.3 | -169.9 | 0 | 107.1 | A1488 L1491 Y1529 I1548 L1550 | A1488-K1571 HydrophobicContact CB-CG 4.48Å; A1488-K1571 WeakPolarHBondContact CB-O 3.35Å; L1491-K1571 HydrophobicContact CD2-CD 4.06Å; L1491-K1571 VanDerWaalsContact CD2-NZ 3.27Å; Y1529-K1571 WeakPolarHBondContact OH-CD 3.1Å; Y1529-K1571 WeakPolarHBondContact OH-CE 3.46Å; Y1529-K1571 PolarHBondContact OH-NZ 3.18Å; I1548-K1571 HydrophobicContact CG1-CB 4.1Å; I1548-K1571 PolarHBondContact N-O 3.49Å; I1548-K1571 PolarHBondContact O-N 3.33Å; L1550-K1571 HydrophobicContact CD1-CB 3.91Å; L1550-K1571 HydrophobicContact CD1-CD 4.1Å; L1550-K1571 HydrophobicContact CG-CB 4.48Å |
| 1572 | G | 81.6 | Confident | 81.4 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -146.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1546 | A1546-G1572 CarbonylContact O-C 3.58Å; A1546-G1572 WeakPolarHBondContact O-CA 3.46Å |
| 1573 | S | 80.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -70 | 148.4 | 177.3 | -168.4 | 0 | 0 | 0 | 0 | 112.8 | P1481 A1546 D1575 A1576 | P1481-S1573 WeakPolarHBondContact CD-OG 3.13Å; P1481-S1573 VanDerWaalsContact CG-CA 3.46Å; P1481-S1573 WeakPolarHBondContact CG-OG 3.49Å; A1546-S1573 PolarHBondContact O-N 3.13Å; S1573-D1575 PolarHBondContact O-N 3.47Å; S1573-D1575 PolarHBondContact OG-N 3.03Å; S1573-D1575 PolarHBondContact OG-OD2 2.96Å; S1573-A1576 WeakPolarHBondContact O-CB 3.46Å; S1573-A1576 PolarHBondContact O-N 3.42Å | ||
| 1574 | G | 75.9 | Confident | 83.1 | Confident | 80 Ų | 80 | 38.8 Ų | 38.8 | 83% | 0.825 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18 | 167 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1576 | G1574-A1576 PolarHBondContact O-N 3.31Š|
| 1575 | D | 78.9 | Confident | 83.4 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.2 | 178.7 | -49.4 | -46.1 | 0 | 0 | 0 | 113.7 | D1540 S1573 Q1577 | D1540-D1575 WeakPolarHBondContact CA-O 3.3Å; D1540-D1575 HydrophobicContact CB-CB 4.34Å; S1573-D1575 PolarHBondContact O-N 3.47Å; S1573-D1575 PolarHBondContact OG-N 3.03Å; S1573-D1575 PolarHBondContact OG-OD2 2.96Å; D1575-Q1577 WeakPolarHBondContact O-CG 3.48Å; D1575-Q1577 PolarHBondContact O-N 3.5Å; D1575-Q1577 VanDerWaalsContact O-N 3.09Å |
| 1576 | A | 85.9 | Confident | 83.8 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | trans | -65.7 | 109.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1538 A1546 V1570 S1573 G1574 I1614 | A1538-A1576 HydrophobicContact CB-CB 4.13Å; A1546-A1576 HydrophobicContact CB-CB 3.73Å; V1570-A1576 HydrophobicContact CB-CB 4.37Å; V1570-A1576 HydrophobicContact CG1-CB 3.58Å; V1570-A1576 HydrophobicContact CG2-CB 3.96Å; S1573-A1576 WeakPolarHBondContact O-CB 3.46Å; S1573-A1576 PolarHBondContact O-N 3.42Å; G1574-A1576 PolarHBondContact O-N 3.31Å; A1576-I1614 HydrophobicContact CB-CD1 4.49Å | ||
| 1577 | Q | 89.5 | Confident | 84.2 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | trans | -111.7 | -25.7 | -176.7 | -73.9 | 178.2 | 10.6 | 0 | 0 | 112.6 | F1539 D1575 I1614 A1615 | F1539-Q1577 PolarHBondContact O-N 2.78Å; D1575-Q1577 WeakPolarHBondContact O-CG 3.48Å; D1575-Q1577 PolarHBondContact O-N 3.5Å; D1575-Q1577 VanDerWaalsContact O-N 3.09Å; Q1577-I1614 VanDerWaalsContact C-CG1 3.5Å; Q1577-I1614 VanDerWaalsContact O-CG1 3.24Å; Q1577-I1614 WeakPolarHBondContact O-CG1 3.34Å; Q1577-I1614 PolarHBondContact O-N 3.28Å; Q1577-A1615 WeakPolarHBondContact CA-O 3.23Å; Q1577-A1615 VanDerWaalsContact CB-O 3.28Å; Q1577-A1615 WeakPolarHBondContact CB-O 3.32Å; Q1577-A1615 PolarHBondContact O-N 3.28Å | ||
| 1578 | F | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154 | -172 | -57.1 | -78.8 | 0 | 0 | 0 | 112 | A1538 F1539 R1541 L1591 V1611 V1612 R1613 P1620 I1626 | A1538-F1578 CarbonylContact C-O 3.58Å; A1538-F1578 VanDerWaalsContact CA-O 3.27Å; A1538-F1578 WeakPolarHBondContact CA-O 3.3Å; F1539-F1578 HydrophobicContact CB-CB 4.5Å; F1539-F1578 PolarHBondContact N-O 3Å; F1539-F1578 PolarHBondContact O-N 2.86Å; R1541-F1578 HydrophobicContact CB-CE2 4.31Å; R1541-F1578 HydrophobicContact CG-CE2 4.3Å; F1578-L1591 HydrophobicContact CD1-CD1 4.18Å; F1578-L1591 HydrophobicContact CE1-CD1 4.19Å; F1578-V1611 HydrophobicContact CB-CG1 3.8Å; F1578-V1611 HydrophobicContact CD1-CG1 3.94Å; F1578-V1611 HydrophobicContact CG-CG1 4.21Å; F1578-V1612 CarbonylContact C-O 3.5Å; F1578-V1612 WeakPolarHBondContact CA-O 3.34Å; F1578-R1613 HydrophobicContact CD1-CB 4.37Å; F1578-R1613 HydrophobicContact CD1-CG 4.21Å; F1578-R1613 HydrophobicContact CE1-CB 4.33Å; F1578-R1613 HydrophobicContact CE1-CG 3.83Å; F1578-P1620 HydrophobicContact CD1-CG 3.9Å; F1578-P1620 HydrophobicContact CD2-CB 3.95Å; F1578-P1620 HydrophobicContact CD2-CG 4.14Å; F1578-P1620 HydrophobicContact CE1-CG 4.06Å; F1578-P1620 HydrophobicContact CE2-CB 4.03Å; F1578-P1620 HydrophobicContact CE2-CG 4.32Å; F1578-P1620 HydrophobicContact CG-CB 4.25Å; F1578-P1620 HydrophobicContact CG-CG 3.94Å; F1578-P1620 HydrophobicContact CZ-CB 4.36Å; F1578-P1620 HydrophobicContact CZ-CG 4.27Å; F1578-I1626 HydrophobicContact CB-CD1 4.32Å |
| 1579 | V | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.5 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 109 | L1536 P1537 A1538 W1549 L1581 M1595 V1612 I1614 | L1536-V1579 HydrophobicContact CB-CG1 3.32Å; L1536-V1579 HydrophobicContact CD1-CG1 3.59Å; L1536-V1579 HydrophobicContact CG-CG1 4.05Å; P1537-V1579 WeakPolarHBondContact O-CA 3.34Å; A1538-V1579 HydrophobicContact CB-CG2 4.26Å; W1549-V1579 HydrophobicContact CB-CG1 4.37Å; W1549-V1579 HydrophobicContact CB-CG2 3.7Å; W1549-V1579 HydrophobicContact CG-CG2 4.04Å; V1579-L1581 PolarHBondContact O-N 3.39Å; V1579-M1595 HydrophobicContact CB-CE 4.48Å; V1579-M1595 HydrophobicContact CG1-CE 4.18Å; V1579-V1612 HydrophobicContact CB-CB 4.44Å; V1579-V1612 PolarHBondContact N-O 3.32Å; V1579-V1612 PolarHBondContact O-N 3.37Å; V1579-I1614 HydrophobicContact CB-CG2 4.38Å; V1579-I1614 HydrophobicContact CG2-CB 4.43Å; V1579-I1614 HydrophobicContact CG2-CD1 3.65Å; V1579-I1614 HydrophobicContact CG2-CG1 3.99Å; V1579-I1614 HydrophobicContact CG2-CG2 3.59Å |
| 1580 | A | 91.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1519 L1536 P1537 F1539 I1626 | P1519-A1580 HydrophobicContact CG-CB 4.15Å; P1519-A1580 VanDerWaalsContact CG-O 3.22Å; P1519-A1580 WeakPolarHBondContact CG-O 3.42Å; L1536-A1580 WeakPolarHBondContact CD2-O 3.1Å; P1537-A1580 HydrophobicContact CG-CB 4.13Å; P1537-A1580 PolarHBondContact O-N 3.19Å; F1539-A1580 HydrophobicContact CD2-CB 4.46Å; F1539-A1580 HydrophobicContact CE2-CB 3.72Å; A1580-I1626 HydrophobicContact CB-CG2 3.65Å; A1580-I1626 VanDerWaalsContact CB-O 3.26Å; A1580-I1626 WeakPolarHBondContact CB-O 3.47Å |
| 1581 | L | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -34.9 | 179.7 | -177.4 | 64.6 | 0 | 0 | 0 | 112.4 | L1513 S1518 P1519 L1536 F1564 V1579 M1595 G1598 V1599 A1602 V1610 V1612 | L1513-L1581 HydrophobicContact CD1-CD1 4.17Å; L1513-L1581 HydrophobicContact CD1-CG 4.46Å; S1518-L1581 PolarHBondContact OG-O 2.94Å; S1518-L1581 VanDerWaalsContact OG-O 3.12Å; P1519-L1581 WeakPolarHBondContact CD-O 3.35Å; L1536-L1581 HydrophobicContact CD1-CD1 3.91Å; L1536-L1581 HydrophobicContact CD2-CD1 4.5Å; F1564-L1581 HydrophobicContact CD1-CD1 3.77Å; F1564-L1581 HydrophobicContact CE1-CD1 3.87Å; V1579-L1581 PolarHBondContact O-N 3.39Å; L1581-M1595 HydrophobicContact CD1-SD 3.93Å; L1581-M1595 HydrophobicContact CD2-SD 4.4Å; L1581-G1598 WeakPolarHBondContact CD2-O 3.25Å; L1581-V1599 HydrophobicContact CD2-CG2 4.13Å; L1581-A1602 HydrophobicContact CD2-CB 4.12Å; L1581-V1610 HydrophobicContact CD2-CG1 4.42Å; L1581-V1610 PolarHBondContact N-O 3.23Å; L1581-V1612 HydrophobicContact CB-CG2 3.89Å; L1581-V1612 HydrophobicContact CD2-CG2 3.93Å |
| 1582 | Q | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.9 | -178.9 | -173.3 | 167.9 | -72.3 | 0 | 0 | 110.8 | A1602 N1605 P1606 S1608 G1609 V1610 T1627 | Q1582-A1602 HydrophobicContact CB-CB 4.26Å; Q1582-A1602 PolarHBondContact OE1-O 3.4Å; Q1582-N1605 PolarHBondContact NE2-O 3.41Å; Q1582-P1606 PolarHBondContact NE2-O 3.32Å; Q1582-S1608 PolarHBondContact NE2-O 2.82Å; Q1582-G1609 CarbonylContact O-C 3.6Å; Q1582-G1609 VanDerWaalsContact O-CA 3.28Å; Q1582-G1609 WeakPolarHBondContact O-CA 3.25Å; Q1582-V1610 HydrophobicContact CB-CB 4.05Å; Q1582-V1610 HydrophobicContact CB-CG2 4.23Å; Q1582-V1610 PolarHBondContact N-O 3.08Å; Q1582-V1610 PolarHBondContact O-N 3.38Å; Q1582-T1627 WeakPolarHBondContact O-CG2 3.42Å |
| 1583 | G | 87.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -77.4 | 146.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1517 T1627 | D1517-G1583 PolarHBondContact O-N 2.93Å; G1583-T1627 CarbonylContact C-O 3.45Å; G1583-T1627 VanDerWaalsContact CA-O 3.31Å; G1583-T1627 WeakPolarHBondContact CA-O 3.32Å |
| 1584 | S | 88.2 | Confident | 86.7 | Confident | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | trans | -81.4 | 135.2 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | N1586 G1587 E1588 T1627 | S1584-N1586 PolarHBondContact OG-OD1 2.71Å; S1584-G1587 WeakPolarHBondContact OG-CA 3.4Å; S1584-G1587 PolarHBondContact OG-N 3.43Å; S1584-E1588 VanDerWaalsContact CB-O 3.23Å; S1584-E1588 WeakPolarHBondContact CB-O 3.44Å; S1584-E1588 PolarHBondContact OG-N 3.38Å; S1584-E1588 VanDerWaalsContact OG-N 3.11Å; S1584-E1588 PolarHBondContact OG-O 2.77Å; S1584-T1627 PolarHBondContact N-O 2.92Å | ||
| 1585 | R | 83.5 | Confident | 87.3 | Confident | 136 Ų | 136 | 33.6 Ų | 33.6 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -110.3 | -24.1 | 170.4 | -63.2 | -179.1 | -178.6 | 157.7 | 5 | 112.3 | G1515 D1607 | G1515-R1585 PolarHBondContact O-NH1 3.32Å; G1515-R1585 PolarHBondContact O-NH2 2.63Å; R1585-D1607 WeakPolarHBondContact CA-O 3.25Å; R1585-D1607 HydrophobicContact CB-CB 4.38Å; R1585-D1607 PolarHBondContact N-O 2.82Å; R1585-D1607 IonicContact NH1-OD1 2.76Å |
| 1586 | N | 80.4 | Confident | 87.7 | Confident | 76 Ų | 76 | 36.3 Ų | 36.3 | 41% | 0.406 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -94.9 | -5.5 | 179.7 | 74.3 | -14.1 | 0 | 0 | 0 | 113.8 | S1584 E1588 D1607 S1608 | S1584-N1586 PolarHBondContact OG-OD1 2.71Å; N1586-E1588 PolarHBondContact ND2-OE2 3.15Å; N1586-E1588 WeakPolarHBondContact OD1-CB 3.11Å; N1586-E1588 PolarHBondContact OD1-N 2.93Å; N1586-D1607 HydrophobicContact CB-CB 4.44Å; N1586-D1607 PolarHBondContact N-O 3.01Å; N1586-D1607 PolarHBondContact OD1-O 3.35Å; N1586-S1608 PolarHBondContact ND2-OG 2.83Å |
| 1587 | G | 77.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 89 | 0.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1584 G1629 R1630 V1631 | S1584-G1587 WeakPolarHBondContact OG-CA 3.4Å; S1584-G1587 PolarHBondContact OG-N 3.43Å; G1587-G1629 CarbonylContact O-C 3.58Å; G1587-G1629 VanDerWaalsContact O-C 3.3Å; G1587-G1629 VanDerWaalsContact O-CA 3.24Å; G1587-G1629 WeakPolarHBondContact O-CA 3.4Å; G1587-R1630 PolarHBondContact O-N 2.72Å; G1587-V1631 PolarHBondContact O-N 2.86Å |
| 1588 | E | 83.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 35.5 Ų | 35.5 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 152.2 | 177.3 | -61.5 | 172.1 | 160.5 | 0 | 0 | 111.8 | S1584 N1586 G1609 V1631 | S1584-E1588 VanDerWaalsContact CB-O 3.23Å; S1584-E1588 WeakPolarHBondContact CB-O 3.44Å; S1584-E1588 PolarHBondContact OG-N 3.38Å; S1584-E1588 VanDerWaalsContact OG-N 3.11Å; S1584-E1588 PolarHBondContact OG-O 2.77Å; N1586-E1588 PolarHBondContact ND2-OE2 3.15Å; N1586-E1588 WeakPolarHBondContact OD1-CB 3.11Å; N1586-E1588 PolarHBondContact OD1-N 2.93Å; E1588-G1609 PolarHBondContact O-N 2.7Å; E1588-V1631 CarbonylContact C-O 3.59Å; E1588-V1631 VanDerWaalsContact CA-O 3.25Å; E1588-V1631 WeakPolarHBondContact CA-O 3.43Å |
| 1589 | S | 87.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139 | 174 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | G1609 T1627 G1629 V1631 W1632 G1633 | S1589-G1609 CarbonylContact C-O 3.55Å; S1589-G1609 WeakPolarHBondContact CA-O 3.07Å; S1589-T1627 PolarHBondContact OG-OG1 3.34Å; S1589-G1629 WeakPolarHBondContact OG-CA 3.08Å; S1589-G1629 PolarHBondContact OG-O 3.09Å; S1589-G1629 VanDerWaalsContact OG-O 3.04Å; S1589-V1631 PolarHBondContact N-O 3.22Å; S1589-W1632 CarbonylContact O-C 3.57Å; S1589-W1632 WeakPolarHBondContact O-CA 3.49Å; S1589-G1633 PolarHBondContact O-N 2.98Å |
| 1590 | L | 90 | Very high | 87.2 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.8 | 176.4 | -57.8 | 176.2 | 0 | 0 | 0 | 109.1 | I1601 N1605 G1609 V1610 V1611 G1633 I1635 | L1590-I1601 HydrophobicContact CB-CG2 3.93Å; L1590-I1601 HydrophobicContact CD1-CG2 3.69Å; L1590-I1601 HydrophobicContact CG-CG2 4.47Å; L1590-N1605 HydrophobicContact CD1-CB 3.85Å; L1590-G1609 PolarHBondContact N-O 3.29Å; L1590-V1610 WeakPolarHBondContact O-CA 3.5Å; L1590-V1611 PolarHBondContact O-N 3.07Å; L1590-G1633 VanDerWaalsContact CD2-C 3.41Å; L1590-G1633 VanDerWaalsContact CD2-O 3.22Å; L1590-G1633 WeakPolarHBondContact CD2-O 3.31Å; L1590-I1635 HydrophobicContact CB-CG1 4.28Å; L1590-I1635 HydrophobicContact CD2-CG1 4.12Å |
| 1591 | L | 90.1 | Very high | 87 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127 | 179.6 | -177.9 | 64.5 | 0 | 0 | 0 | 110.8 | F1578 V1611 R1619 W1632 I1635 | F1578-L1591 HydrophobicContact CD1-CD1 4.18Å; F1578-L1591 HydrophobicContact CE1-CD1 4.19Å; L1591-V1611 CarbonylContact C-O 3.35Å; L1591-V1611 HydrophobicContact CD1-CB 4.06Å; L1591-V1611 HydrophobicContact CD1-CG1 3.97Å; L1591-R1619 HydrophobicContact CD2-CB 4.23Å; L1591-R1619 HydrophobicContact CD2-CG 3.73Å; L1591-W1632 HydrophobicContact CB-CE3 4.31Å; L1591-W1632 HydrophobicContact CB-CH2 4.32Å; L1591-W1632 HydrophobicContact CB-CZ3 3.75Å; L1591-I1635 WeakPolarHBondContact O-CD1 3.31Å |
| 1592 | A | 89.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1597 G1598 I1601 V1610 V1611 V1612 R1613 | A1592-D1597 HydrophobicContact CB-CB 4.3Å; A1592-G1598 VanDerWaalsContact CB-CA 3.4Å; A1592-I1601 HydrophobicContact CB-CD1 3.66Å; A1592-V1610 HydrophobicContact CB-CG1 4.5Å; A1592-V1611 PolarHBondContact N-O 3.05Å; A1592-V1612 HydrophobicContact CB-CG2 4.29Å; A1592-R1613 PolarHBondContact O-N 2.97Å |
| 1593 | D | 87.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 49.5 Ų | 49.5 | 56% | 0.556 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -80.8 | -19 | -177.1 | -68.1 | -36.9 | 0 | 0 | 0 | 114 | R1613 | D1593-R1613 IonicContact OD1-CZ 3.57Å; D1593-R1613 IonicContact OD1-NE 3.77Å; D1593-R1613 IonicContact OD1-NH2 2.92Å; D1593-R1613 PolarHBondContact OD1-NH2 3.08Å |
| 1594 | N | 89.1 | Confident | 86.5 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -154 | 170.7 | 174.7 | 61.7 | 65.8 | 0 | 0 | 0 | 111 | Q1596 D1597 G1598 V1612 | N1594-Q1596 VanDerWaalsContact C-N 3.31Å; N1594-Q1596 PolarHBondContact O-N 2.88Å; N1594-Q1596 WeakPolarHBondContact OD1-CB 3.14Å; N1594-Q1596 PolarHBondContact OD1-N 3.45Å; N1594-D1597 PolarHBondContact ND2-OD2 3.31Å; N1594-D1597 PolarHBondContact O-N 3.43Å; N1594-D1597 PolarHBondContact OD1-N 2.84Å; N1594-D1597 PolarHBondContact OD1-OD2 3.09Å; N1594-G1598 PolarHBondContact O-N 3.07Å; N1594-V1612 VanDerWaalsContact C-CG1 3.41Å |
| 1595 | M | 88 | Confident | 86.4 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -32.7 | -175.7 | -168.2 | 60.2 | 63.1 | 0 | 0 | 113.5 | L1536 W1549 F1564 V1579 L1581 G1598 V1599 V1612 | L1536-M1595 HydrophobicContact CD1-CE 3.83Å; L1536-M1595 HydrophobicContact CD1-SD 4.16Å; W1549-M1595 HydrophobicContact CD2-CE 4.23Å; W1549-M1595 HydrophobicContact CE3-CE 3.91Å; W1549-M1595 HydrophobicContact CH2-CE 3.71Å; W1549-M1595 HydrophobicContact CH2-CG 3.99Å; W1549-M1595 HydrophobicContact CH2-SD 4.38Å; W1549-M1595 HydrophobicContact CZ2-CE 4.07Å; W1549-M1595 HydrophobicContact CZ3-CE 3.63Å; W1549-M1595 HydrophobicContact CZ3-SD 4.37Å; F1564-M1595 HydrophobicContact CB-CG 4.23Å; F1564-M1595 HydrophobicContact CB-SD 4.47Å; F1564-M1595 HydrophobicContact CD1-SD 4.49Å; F1564-M1595 WeakPolarHBondContact O-CG 3.41Å; V1579-M1595 HydrophobicContact CB-CE 4.48Å; V1579-M1595 HydrophobicContact CG1-CE 4.18Å; L1581-M1595 HydrophobicContact CD1-SD 3.93Å; L1581-M1595 HydrophobicContact CD2-SD 4.4Å; M1595-G1598 PolarHBondContact O-N 3.38Å; M1595-V1599 VanDerWaalsContact O-CG2 3.32Å; M1595-V1599 WeakPolarHBondContact O-CG2 3.5Å; M1595-V1599 PolarHBondContact O-N 2.98Å; M1595-V1612 HydrophobicContact CB-CG1 4.33Å; M1595-V1612 HydrophobicContact CE-CB 4.24Å; M1595-V1612 HydrophobicContact CE-CG1 3.96Å; M1595-V1612 HydrophobicContact CE-CG2 4.39Å; M1595-V1612 HydrophobicContact SD-CG1 4.42Å; M1595-V1612 HydrophobicContact SD-CG2 4.19Å |
| 1596 | Q | 86.7 | Confident | 86.4 | Confident | 141 Ų | 141 | 50.4 Ų | 50.4 | 66% | 0.659 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.3 | -44.9 | 179.2 | -65.5 | -178.7 | -5.9 | 0 | 0 | 111.3 | N1594 G1598 V1599 R1600 | N1594-Q1596 VanDerWaalsContact C-N 3.31Å; N1594-Q1596 PolarHBondContact O-N 2.88Å; N1594-Q1596 WeakPolarHBondContact OD1-CB 3.14Å; N1594-Q1596 PolarHBondContact OD1-N 3.45Å; Q1596-G1598 VanDerWaalsContact C-N 3.28Å; Q1596-G1598 PolarHBondContact O-N 3.04Å; Q1596-V1599 PolarHBondContact O-N 2.87Å; Q1596-R1600 PolarHBondContact O-N 3.42Å; Q1596-R1600 VanDerWaalsContact O-N 3.14Å |
| 1597 | D | 87.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 172.9 | -69.6 | -33.1 | 0 | 0 | 0 | 110.9 | A1592 N1594 V1599 R1600 I1601 | A1592-D1597 HydrophobicContact CB-CB 4.3Å; N1594-D1597 PolarHBondContact ND2-OD2 3.31Å; N1594-D1597 PolarHBondContact O-N 3.43Å; N1594-D1597 PolarHBondContact OD1-N 2.84Å; N1594-D1597 PolarHBondContact OD1-OD2 3.09Å; D1597-V1599 PolarHBondContact O-N 3.05Å; D1597-R1600 WeakPolarHBondContact O-CB 3.35Å; D1597-R1600 PolarHBondContact O-N 3.4Å; D1597-R1600 IonicContact OD1-CZ 3.84Å; D1597-R1600 IonicContact OD1-NH1 2.79Å; D1597-R1600 PolarHBondContact OD1-NH1 3.34Å; D1597-R1600 IonicContact OD1-NH2 3.54Å; D1597-R1600 PolarHBondContact OD1-NH2 3.14Å; D1597-I1601 WeakPolarHBondContact O-CB 3.3Å; D1597-I1601 WeakPolarHBondContact O-CD1 3.24Å; D1597-I1601 VanDerWaalsContact O-CG1 3.29Å; D1597-I1601 WeakPolarHBondContact O-CG1 3.23Å; D1597-I1601 PolarHBondContact O-N 3.45Å |
| 1598 | G | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1581 A1592 N1594 M1595 Q1596 R1600 I1601 A1602 | L1581-G1598 WeakPolarHBondContact CD2-O 3.25Å; A1592-G1598 VanDerWaalsContact CB-CA 3.4Å; N1594-G1598 PolarHBondContact O-N 3.07Å; M1595-G1598 PolarHBondContact O-N 3.38Å; Q1596-G1598 VanDerWaalsContact C-N 3.28Å; Q1596-G1598 PolarHBondContact O-N 3.04Å; G1598-R1600 VanDerWaalsContact C-N 3.3Å; G1598-R1600 PolarHBondContact O-N 2.75Å; G1598-I1601 PolarHBondContact O-N 2.98Å; G1598-A1602 WeakPolarHBondContact O-CB 3.35Å; G1598-A1602 PolarHBondContact O-N 3.48Å |
| 1599 | V | 87.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | A1511 L1513 F1564 L1581 M1595 Q1596 D1597 R1603 | A1511-V1599 HydrophobicContact CB-CG1 4.11Å; A1511-V1599 VanDerWaalsContact O-CG1 3.31Å; A1511-V1599 WeakPolarHBondContact O-CG1 3.1Å; L1513-V1599 HydrophobicContact CD1-CG2 4.36Å; F1564-V1599 HydrophobicContact CB-CG2 3.82Å; F1564-V1599 HydrophobicContact CG-CG2 4.42Å; L1581-V1599 HydrophobicContact CD2-CG2 4.13Å; M1595-V1599 VanDerWaalsContact O-CG2 3.32Å; M1595-V1599 WeakPolarHBondContact O-CG2 3.5Å; M1595-V1599 PolarHBondContact O-N 2.98Å; Q1596-V1599 PolarHBondContact O-N 2.87Å; D1597-V1599 PolarHBondContact O-N 3.05Å; V1599-R1603 WeakPolarHBondContact O-CB 3.26Å; V1599-R1603 PolarHBondContact O-N 2.79Å; V1599-R1603 VanDerWaalsContact O-N 3.08Å |
| 1600 | R | 87.5 | Confident | 87.3 | Confident | 119 Ų | 119 | 45.7 Ų | 45.7 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -53.6 | 174.2 | -176.8 | 179.4 | 68.3 | -121.2 | -3.7 | 111.3 | Q1596 D1597 G1598 A1602 R1603 D1604 | Q1596-R1600 PolarHBondContact O-N 3.42Å; Q1596-R1600 VanDerWaalsContact O-N 3.14Å; D1597-R1600 WeakPolarHBondContact O-CB 3.35Å; D1597-R1600 PolarHBondContact O-N 3.4Å; D1597-R1600 IonicContact OD1-CZ 3.84Å; D1597-R1600 IonicContact OD1-NH1 2.79Å; D1597-R1600 PolarHBondContact OD1-NH1 3.34Å; D1597-R1600 IonicContact OD1-NH2 3.54Å; D1597-R1600 PolarHBondContact OD1-NH2 3.14Å; G1598-R1600 VanDerWaalsContact C-N 3.3Å; G1598-R1600 PolarHBondContact O-N 2.75Å; R1600-A1602 VanDerWaalsContact C-N 3.33Å; R1600-A1602 PolarHBondContact O-N 2.95Å; R1600-R1603 PolarHBondContact O-N 2.91Å; R1600-D1604 WeakPolarHBondContact O-CB 3.24Å; R1600-D1604 PolarHBondContact O-N 3.39Å |
| 1601 | I | 87.4 | Confident | 87.3 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | -177.8 | -68.3 | 159.9 | 0 | 0 | 0 | 111.1 | L1590 A1592 D1597 G1598 D1604 N1605 V1610 I1635 | L1590-I1601 HydrophobicContact CB-CG2 3.93Å; L1590-I1601 HydrophobicContact CD1-CG2 3.69Å; L1590-I1601 HydrophobicContact CG-CG2 4.47Å; A1592-I1601 HydrophobicContact CB-CD1 3.66Å; D1597-I1601 WeakPolarHBondContact O-CB 3.3Å; D1597-I1601 WeakPolarHBondContact O-CD1 3.24Å; D1597-I1601 VanDerWaalsContact O-CG1 3.29Å; D1597-I1601 WeakPolarHBondContact O-CG1 3.23Å; D1597-I1601 PolarHBondContact O-N 3.45Å; G1598-I1601 PolarHBondContact O-N 2.98Å; I1601-D1604 PolarHBondContact O-N 2.94Å; I1601-N1605 WeakPolarHBondContact O-CB 3.23Å; I1601-N1605 PolarHBondContact O-N 3.31Å; I1601-N1605 PolarHBondContact O-ND2 2.78Å; I1601-N1605 VanDerWaalsContact O-ND2 3.11Å; I1601-V1610 HydrophobicContact CB-CG1 4.46Å; I1601-V1610 HydrophobicContact CG2-CG1 4.26Å; I1601-V1610 HydrophobicContact CG2-CG2 3.96Å; I1601-I1635 HydrophobicContact CD1-CD1 3.62Å; I1601-I1635 HydrophobicContact CG1-CD1 4.35Å |
| 1602 | A | 86.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1513 L1581 Q1582 G1598 R1600 N1605 V1610 | L1513-A1602 HydrophobicContact CD2-CB 3.46Å; L1513-A1602 VanDerWaalsContact CD2-CB 3.46Å; L1581-A1602 HydrophobicContact CD2-CB 4.12Å; Q1582-A1602 HydrophobicContact CB-CB 4.26Å; Q1582-A1602 PolarHBondContact OE1-O 3.4Å; G1598-A1602 WeakPolarHBondContact O-CB 3.35Å; G1598-A1602 PolarHBondContact O-N 3.48Å; R1600-A1602 VanDerWaalsContact C-N 3.33Å; R1600-A1602 PolarHBondContact O-N 2.95Å; A1602-N1605 CarbonylContact O-C 3.45Å; A1602-V1610 HydrophobicContact CB-CB 4.15Å; A1602-V1610 HydrophobicContact CB-CG1 4.39Å; A1602-V1610 HydrophobicContact CB-CG2 3.8Å |
| 1603 | R | 84.6 | Confident | 87.4 | Confident | 141 Ų | 141 | 46.9 Ų | 46.9 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 173.8 | -175.6 | -171.6 | 67.6 | -167 | -2.6 | 111.9 | V1599 R1600 | V1599-R1603 WeakPolarHBondContact O-CB 3.26Å; V1599-R1603 PolarHBondContact O-N 2.79Å; V1599-R1603 VanDerWaalsContact O-N 3.08Å; R1600-R1603 PolarHBondContact O-N 2.91Å |
| 1604 | D | 86.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 44.6 Ų | 44.6 | 48% | 0.481 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -79.7 | -22.4 | -175.3 | -59.4 | -12 | 0 | 0 | 0 | 111.6 | R1600 I1601 | R1600-D1604 WeakPolarHBondContact O-CB 3.24Å; R1600-D1604 PolarHBondContact O-N 3.39Å; I1601-D1604 PolarHBondContact O-N 2.94Å |
| 1605 | N | 86.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | trans | -128.2 | 76.5 | 178.8 | -57 | -84.3 | 0 | 0 | 0 | 111.3 | Q1582 L1590 I1601 A1602 D1607 S1608 | Q1582-N1605 PolarHBondContact NE2-O 3.41Å; L1590-N1605 HydrophobicContact CD1-CB 3.85Å; I1601-N1605 WeakPolarHBondContact O-CB 3.23Å; I1601-N1605 PolarHBondContact O-N 3.31Å; I1601-N1605 PolarHBondContact O-ND2 2.78Å; I1601-N1605 VanDerWaalsContact O-ND2 3.11Å; A1602-N1605 CarbonylContact O-C 3.45Å; N1605-D1607 VanDerWaalsContact C-N 3.25Å; N1605-D1607 PolarHBondContact O-N 2.97Å; N1605-S1608 PolarHBondContact O-N 3.13Å | ||
| 1606 | P | 83.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.3 | -171 | 26.6 | -35.4 | 0 | 0 | 0 | 115.2 | Q1582 | Q1582-P1606 PolarHBondContact NE2-O 3.32Š|
| 1607 | D | 84.6 | Confident | 86.3 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -11.2 | -179 | -65.5 | -44 | 0 | 0 | 0 | 113.7 | R1585 N1586 N1605 | R1585-D1607 WeakPolarHBondContact CA-O 3.25Å; R1585-D1607 HydrophobicContact CB-CB 4.38Å; R1585-D1607 PolarHBondContact N-O 2.82Å; R1585-D1607 IonicContact NH1-OD1 2.76Å; N1586-D1607 HydrophobicContact CB-CB 4.44Å; N1586-D1607 PolarHBondContact N-O 3.01Å; N1586-D1607 PolarHBondContact OD1-O 3.35Å; N1605-D1607 VanDerWaalsContact C-N 3.25Å; N1605-D1607 PolarHBondContact O-N 2.97Å |
| 1608 | S | 86.1 | Confident | 85.9 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.9 | 147.9 | 176.8 | -50 | 0 | 0 | 0 | 0 | 110.8 | Q1582 N1586 N1605 | Q1582-S1608 PolarHBondContact NE2-O 2.82Å; N1586-S1608 PolarHBondContact ND2-OG 2.83Å; N1605-S1608 PolarHBondContact O-N 3.13Å |
| 1609 | G | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 143.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q1582 E1588 S1589 L1590 | Q1582-G1609 CarbonylContact O-C 3.6Å; Q1582-G1609 VanDerWaalsContact O-CA 3.28Å; Q1582-G1609 WeakPolarHBondContact O-CA 3.25Å; E1588-G1609 PolarHBondContact O-N 2.7Å; S1589-G1609 CarbonylContact C-O 3.55Å; S1589-G1609 WeakPolarHBondContact CA-O 3.07Å; L1590-G1609 PolarHBondContact N-O 3.29Å |
| 1610 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.4 | 177.5 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | L1581 Q1582 L1590 A1592 I1601 A1602 | L1581-V1610 HydrophobicContact CD2-CG1 4.42Å; L1581-V1610 PolarHBondContact N-O 3.23Å; Q1582-V1610 HydrophobicContact CB-CB 4.05Å; Q1582-V1610 HydrophobicContact CB-CG2 4.23Å; Q1582-V1610 PolarHBondContact N-O 3.08Å; Q1582-V1610 PolarHBondContact O-N 3.38Å; L1590-V1610 WeakPolarHBondContact O-CA 3.5Å; A1592-V1610 HydrophobicContact CB-CG1 4.5Å; I1601-V1610 HydrophobicContact CB-CG1 4.46Å; I1601-V1610 HydrophobicContact CG2-CG1 4.26Å; I1601-V1610 HydrophobicContact CG2-CG2 3.96Å; A1602-V1610 HydrophobicContact CB-CB 4.15Å; A1602-V1610 HydrophobicContact CB-CG1 4.39Å; A1602-V1610 HydrophobicContact CB-CG2 3.8Å |
| 1611 | V | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.8 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | F1578 L1590 L1591 A1592 P1620 I1626 T1627 W1632 | F1578-V1611 HydrophobicContact CB-CG1 3.8Å; F1578-V1611 HydrophobicContact CD1-CG1 3.94Å; F1578-V1611 HydrophobicContact CG-CG1 4.21Å; L1590-V1611 PolarHBondContact O-N 3.07Å; L1591-V1611 CarbonylContact C-O 3.35Å; L1591-V1611 HydrophobicContact CD1-CB 4.06Å; L1591-V1611 HydrophobicContact CD1-CG1 3.97Å; A1592-V1611 PolarHBondContact N-O 3.05Å; V1611-P1620 HydrophobicContact CG1-CG 4.08Å; V1611-I1626 HydrophobicContact CG1-CD1 4.36Å; V1611-I1626 HydrophobicContact CG1-CG2 4.19Å; V1611-I1626 HydrophobicContact CG2-CB 4.25Å; V1611-I1626 HydrophobicContact CG2-CG2 3.71Å; V1611-T1627 HydrophobicContact CG2-CG2 3.41Å; V1611-T1627 VanDerWaalsContact CG2-CG2 3.41Å; V1611-W1632 HydrophobicContact CB-CH2 4.18Å; V1611-W1632 HydrophobicContact CB-CZ3 4.46Å; V1611-W1632 HydrophobicContact CG2-CH2 3.9Å; V1611-W1632 HydrophobicContact CG2-CZ3 4.27Å |
| 1612 | V | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.3 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | F1578 V1579 L1581 A1592 N1594 M1595 I1614 | F1578-V1612 CarbonylContact C-O 3.5Å; F1578-V1612 WeakPolarHBondContact CA-O 3.34Å; V1579-V1612 HydrophobicContact CB-CB 4.44Å; V1579-V1612 PolarHBondContact N-O 3.32Å; V1579-V1612 PolarHBondContact O-N 3.37Å; L1581-V1612 HydrophobicContact CB-CG2 3.89Å; L1581-V1612 HydrophobicContact CD2-CG2 3.93Å; A1592-V1612 HydrophobicContact CB-CG2 4.29Å; N1594-V1612 VanDerWaalsContact C-CG1 3.41Å; M1595-V1612 HydrophobicContact CB-CG1 4.33Å; M1595-V1612 HydrophobicContact CE-CB 4.24Å; M1595-V1612 HydrophobicContact CE-CG1 3.96Å; M1595-V1612 HydrophobicContact CE-CG2 4.39Å; M1595-V1612 HydrophobicContact SD-CG1 4.42Å; M1595-V1612 HydrophobicContact SD-CG2 4.19Å; V1612-I1614 HydrophobicContact CG1-CG2 4.36Å |
| 1613 | R | 91.8 | Very high | 84.6 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.5 | 169.8 | -157.6 | 179 | -37.7 | -172.9 | 9 | 109.9 | F1578 A1592 D1593 G1616 | F1578-R1613 HydrophobicContact CD1-CB 4.37Å; F1578-R1613 HydrophobicContact CD1-CG 4.21Å; F1578-R1613 HydrophobicContact CE1-CB 4.33Å; F1578-R1613 HydrophobicContact CE1-CG 3.83Å; A1592-R1613 PolarHBondContact O-N 2.97Å; D1593-R1613 IonicContact OD1-CZ 3.57Å; D1593-R1613 IonicContact OD1-NE 3.77Å; D1593-R1613 IonicContact OD1-NH2 2.92Å; D1593-R1613 PolarHBondContact OD1-NH2 3.08Å; R1613-G1616 WeakPolarHBondContact CD-O 3.31Å |
| 1614 | I | 88.7 | Confident | 84.4 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | trans | -117.6 | -21.9 | 176.2 | 56.6 | 161.9 | 0 | 0 | 0 | 112.3 | V1570 A1576 Q1577 V1579 V1612 | V1570-I1614 HydrophobicContact CG2-CD1 3.43Å; V1570-I1614 VanDerWaalsContact CG2-CD1 3.43Å; A1576-I1614 HydrophobicContact CB-CD1 4.49Å; Q1577-I1614 VanDerWaalsContact C-CG1 3.5Å; Q1577-I1614 VanDerWaalsContact O-CG1 3.24Å; Q1577-I1614 WeakPolarHBondContact O-CG1 3.34Å; Q1577-I1614 PolarHBondContact O-N 3.28Å; V1579-I1614 HydrophobicContact CB-CG2 4.38Å; V1579-I1614 HydrophobicContact CG2-CB 4.43Å; V1579-I1614 HydrophobicContact CG2-CD1 3.65Å; V1579-I1614 HydrophobicContact CG2-CG1 3.99Å; V1579-I1614 HydrophobicContact CG2-CG2 3.59Å; V1612-I1614 HydrophobicContact CG1-CG2 4.36Å | ||
| 1615 | A | 83.8 | Confident | 84 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -157.5 | 161.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q1577 | Q1577-A1615 WeakPolarHBondContact CA-O 3.23Å; Q1577-A1615 VanDerWaalsContact CB-O 3.28Å; Q1577-A1615 WeakPolarHBondContact CB-O 3.32Å; Q1577-A1615 PolarHBondContact O-N 3.28Å |
| 1616 | G | 80.3 | Confident | 83.9 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 45% | 0.454 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 80.8 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | R1613 | R1613-G1616 WeakPolarHBondContact CD-O 3.31Š|
| 1617 | E | 74.5 | Confident | 84 | Confident | 162 Ų | 162 | 35.6 Ų | 35.6 | 76% | 0.757 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -121.1 | 147.7 | -178.2 | -66.9 | -171.9 | 172.9 | 0 | 0 | 112.4 | ||
| 1618 | G | 79.2 | Confident | 83.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 95 | -178.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1619 | R | 83.4 | Confident | 83.4 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 30% | 0.302 | 20% | 0.204 | S | C | . | . | trans | -89.4 | 149.2 | 171.8 | -58.3 | -178.7 | 175.8 | -178.6 | -4.2 | 109.6 | L1591 W1632 | L1591-R1619 HydrophobicContact CD2-CB 4.23Å; L1591-R1619 HydrophobicContact CD2-CG 3.73Å; R1619-W1632 HydrophobicContact CB-CZ2 4.14Å | ||
| 1620 | P | 83.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | trans | -65.3 | 142.1 | 168.7 | 14.1 | -14.1 | 0 | 0 | 0 | 110.9 | R1541 F1578 V1611 N1622 I1626 W1632 | R1541-P1620 WeakPolarHBondContact O-CA 3.4Å; F1578-P1620 HydrophobicContact CD1-CG 3.9Å; F1578-P1620 HydrophobicContact CD2-CB 3.95Å; F1578-P1620 HydrophobicContact CD2-CG 4.14Å; F1578-P1620 HydrophobicContact CE1-CG 4.06Å; F1578-P1620 HydrophobicContact CE2-CB 4.03Å; F1578-P1620 HydrophobicContact CE2-CG 4.32Å; F1578-P1620 HydrophobicContact CG-CB 4.25Å; F1578-P1620 HydrophobicContact CG-CG 3.94Å; F1578-P1620 HydrophobicContact CZ-CB 4.36Å; F1578-P1620 HydrophobicContact CZ-CG 4.27Å; V1611-P1620 HydrophobicContact CG1-CG 4.08Å; P1620-N1622 VanDerWaalsContact C-N 3.25Å; P1620-N1622 PolarHBondContact O-N 2.93Å; P1620-I1626 HydrophobicContact CB-CD1 3.51Å; P1620-I1626 HydrophobicContact CG-CD1 3.56Å; P1620-W1632 HydrophobicContact CB-CZ2 4.44Å; P1620-W1632 VanDerWaalsContact CD-CZ2 3.4Å; P1620-W1632 HydrophobicContact CG-CH2 3.67Å; P1620-W1632 HydrophobicContact CG-CZ2 3.56Å; P1620-W1632 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 1621 | W | 79.9 | Confident | 81.7 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -72.1 | -17.6 | -176.9 | -59.9 | 119.3 | 0 | 0 | 0 | 114 | L955 A1127 R1541 T1651 | L955-W1621 HydrophobicContact CD1-CD2 4.06Å; L955-W1621 HydrophobicContact CD1-CE3 4.5Å; L955-W1621 HydrophobicContact CD1-CG 4.21Å; A1127-W1621 HydrophobicContact CB-CB 3.79Å; A1127-W1621 HydrophobicContact CB-CG 4.46Å; R1541-W1621 VanDerWaalsContact O-CD1 3.29Å; R1541-W1621 PolarHBondContact O-N 2.79Å; W1621-T1651 HydrophobicContact CH2-CG2 3.4Å; W1621-T1651 VanDerWaalsContact CH2-CG2 3.4Å; W1621-T1651 HydrophobicContact CZ2-CG2 3.49Å; W1621-T1651 VanDerWaalsContact CZ2-CG2 3.49Å |
| 1622 | N | 80.3 | Confident | 81.3 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | trans | -134.3 | 80.3 | -179.4 | -163.9 | -31.5 | 0 | 0 | 0 | 111 | A1127 D1129 N1542 P1620 G1624 A1625 | A1127-N1622 PolarHBondContact O-ND2 2.95Å; D1129-N1622 PolarHBondContact OD1-ND2 3.47Å; D1129-N1622 PolarHBondContact OD1-OD1 3Å; N1542-N1622 WeakPolarHBondContact O-CB 3.16Å; P1620-N1622 VanDerWaalsContact C-N 3.25Å; P1620-N1622 PolarHBondContact O-N 2.93Å; N1622-G1624 PolarHBondContact O-N 2.92Å; N1622-G1624 PolarHBondContact OD1-N 2.74Å; N1622-A1625 HydrophobicContact CB-CB 4.28Å; N1622-A1625 PolarHBondContact O-N 2.98Å; N1622-A1625 PolarHBondContact OD1-N 2.92Å | ||
| 1623 | P | 81.2 | Confident | 80.4 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -31.4 | 176.9 | 23.8 | -32.8 | 0 | 0 | 0 | 112.6 | A1625 I1626 T1627 G1629 W1632 | P1623-A1625 VanDerWaalsContact C-N 3.3Å; P1623-A1625 PolarHBondContact O-N 3.46Å; P1623-I1626 PolarHBondContact O-N 2.88Å; P1623-T1627 PolarHBondContact O-N 3.44Å; P1623-T1627 PolarHBondContact O-OG1 2.83Å; P1623-G1629 CarbonylContact C-O 3.58Å; P1623-G1629 WeakPolarHBondContact CB-O 3.14Å; P1623-W1632 HydrophobicContact CB-CD2 4.32Å; P1623-W1632 HydrophobicContact CB-CH2 3.99Å; P1623-W1632 HydrophobicContact CB-CZ2 3.55Å; P1623-W1632 HydrophobicContact CG-CD2 4.44Å; P1623-W1632 HydrophobicContact CG-CZ2 4.05Å |
| 1624 | G | 78.9 | Confident | 79.4 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1622 I1626 G1628 G1629 | N1622-G1624 PolarHBondContact O-N 2.92Å; N1622-G1624 PolarHBondContact OD1-N 2.74Å; G1624-I1626 VanDerWaalsContact C-N 3.28Å; G1624-I1626 PolarHBondContact O-N 2.8Å; G1624-G1628 WeakPolarHBondContact O-CA 3.37Å; G1624-G1628 PolarHBondContact O-N 3.46Å; G1624-G1629 WeakPolarHBondContact CA-O 3.45Å; G1624-G1629 PolarHBondContact N-O 2.87Å |
| 1625 | A | 78.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.3 | -23.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1543 N1622 P1623 | G1543-A1625 VanDerWaalsContact O-CB 3.31Å; G1543-A1625 WeakPolarHBondContact O-CB 3.34Å; N1622-A1625 HydrophobicContact CB-CB 4.28Å; N1622-A1625 PolarHBondContact O-N 2.98Å; N1622-A1625 PolarHBondContact OD1-N 2.92Å; P1623-A1625 VanDerWaalsContact C-N 3.3Å; P1623-A1625 PolarHBondContact O-N 3.46Å |
| 1626 | I | 84.8 | Confident | 76.4 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -89.9 | -49.8 | -176.1 | -58.6 | 178.5 | 0 | 0 | 0 | 111.3 | F1539 F1578 A1580 V1611 P1620 P1623 G1624 | F1539-I1626 HydrophobicContact CB-CD1 4.14Å; F1539-I1626 HydrophobicContact CB-CG1 4.08Å; F1539-I1626 HydrophobicContact CD1-CG1 4.05Å; F1539-I1626 HydrophobicContact CD2-CB 4.42Å; F1539-I1626 HydrophobicContact CD2-CG1 4.22Å; F1539-I1626 HydrophobicContact CD2-CG2 3.78Å; F1539-I1626 HydrophobicContact CE2-CG2 3.92Å; F1539-I1626 HydrophobicContact CG-CD1 4.43Å; F1539-I1626 HydrophobicContact CG-CG1 3.87Å; F1539-I1626 HydrophobicContact CG-CG2 4.3Å; F1578-I1626 HydrophobicContact CB-CD1 4.32Å; A1580-I1626 HydrophobicContact CB-CG2 3.65Å; A1580-I1626 VanDerWaalsContact CB-O 3.26Å; A1580-I1626 WeakPolarHBondContact CB-O 3.47Å; V1611-I1626 HydrophobicContact CG1-CD1 4.36Å; V1611-I1626 HydrophobicContact CG1-CG2 4.19Å; V1611-I1626 HydrophobicContact CG2-CB 4.25Å; V1611-I1626 HydrophobicContact CG2-CG2 3.71Å; P1620-I1626 HydrophobicContact CB-CD1 3.51Å; P1620-I1626 HydrophobicContact CG-CD1 3.56Å; P1623-I1626 PolarHBondContact O-N 2.88Å; G1624-I1626 VanDerWaalsContact C-N 3.28Å; G1624-I1626 PolarHBondContact O-N 2.8Å |
| 1627 | T | 85.5 | Confident | 74.6 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -122.1 | -11.4 | -172.3 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | Q1582 G1583 S1584 S1589 V1611 P1623 G1629 | Q1582-T1627 WeakPolarHBondContact O-CG2 3.42Å; G1583-T1627 CarbonylContact C-O 3.45Å; G1583-T1627 VanDerWaalsContact CA-O 3.31Å; G1583-T1627 WeakPolarHBondContact CA-O 3.32Å; S1584-T1627 PolarHBondContact N-O 2.92Å; S1589-T1627 PolarHBondContact OG-OG1 3.34Å; V1611-T1627 HydrophobicContact CG2-CG2 3.41Å; V1611-T1627 VanDerWaalsContact CG2-CG2 3.41Å; P1623-T1627 PolarHBondContact O-N 3.44Å; P1623-T1627 PolarHBondContact O-OG1 2.83Å; T1627-G1629 VanDerWaalsContact C-N 3.33Å; T1627-G1629 PolarHBondContact OG1-N 3.49Å |
| 1628 | G | 79.9 | Confident | 72.9 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 86.6 | -7.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1624 | G1624-G1628 WeakPolarHBondContact O-CA 3.37Å; G1624-G1628 PolarHBondContact O-N 3.46Å |
| 1629 | G | 78.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -87.1 | 123.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1587 S1589 P1623 G1624 T1627 | G1587-G1629 CarbonylContact O-C 3.58Å; G1587-G1629 VanDerWaalsContact O-C 3.3Å; G1587-G1629 VanDerWaalsContact O-CA 3.24Å; G1587-G1629 WeakPolarHBondContact O-CA 3.4Å; S1589-G1629 WeakPolarHBondContact OG-CA 3.08Å; S1589-G1629 PolarHBondContact OG-O 3.09Å; S1589-G1629 VanDerWaalsContact OG-O 3.04Å; P1623-G1629 CarbonylContact C-O 3.58Å; P1623-G1629 WeakPolarHBondContact CB-O 3.14Å; G1624-G1629 WeakPolarHBondContact CA-O 3.45Å; G1624-G1629 PolarHBondContact N-O 2.87Å; T1627-G1629 VanDerWaalsContact C-N 3.33Å; T1627-G1629 PolarHBondContact OG1-N 3.49Å | ||
| 1630 | R | 70.1 | Confident | 68.1 | Low | 116 Ų | 116 | 59 Ų | 59 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | trans | -83.1 | -25.8 | -175.4 | -68.6 | -175.4 | 178.4 | 177.1 | -2.9 | 113.8 | E989 G1587 | E989-R1630 IonicContact OE2-NH1 3.89Å; G1587-R1630 PolarHBondContact O-N 2.72Å | ||
| 1631 | V | 73 | Confident | 65.4 | Low | 92 Ų | 92 | 67.3 Ų | 67.3 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.8 | -176.2 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | G1587 E1588 S1589 G1633 | G1587-V1631 PolarHBondContact O-N 2.86Å; E1588-V1631 CarbonylContact C-O 3.59Å; E1588-V1631 VanDerWaalsContact CA-O 3.25Å; E1588-V1631 WeakPolarHBondContact CA-O 3.43Å; S1589-V1631 PolarHBondContact N-O 3.22Å; V1631-G1633 PolarHBondContact O-N 3.49Å |
| 1632 | W | 80.8 | Confident | 62.9 | Low | 34 Ų | 34 | 69.7 Ų | 69.7 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.6 | 169.6 | -73.3 | 108.2 | 0 | 0 | 0 | 110.1 | S1589 L1591 V1611 R1619 P1620 P1623 | S1589-W1632 CarbonylContact O-C 3.57Å; S1589-W1632 WeakPolarHBondContact O-CA 3.49Å; L1591-W1632 HydrophobicContact CB-CE3 4.31Å; L1591-W1632 HydrophobicContact CB-CH2 4.32Å; L1591-W1632 HydrophobicContact CB-CZ3 3.75Å; V1611-W1632 HydrophobicContact CB-CH2 4.18Å; V1611-W1632 HydrophobicContact CB-CZ3 4.46Å; V1611-W1632 HydrophobicContact CG2-CH2 3.9Å; V1611-W1632 HydrophobicContact CG2-CZ3 4.27Å; R1619-W1632 HydrophobicContact CB-CZ2 4.14Å; P1620-W1632 HydrophobicContact CB-CZ2 4.44Å; P1620-W1632 VanDerWaalsContact CD-CZ2 3.4Å; P1620-W1632 HydrophobicContact CG-CH2 3.67Å; P1620-W1632 HydrophobicContact CG-CZ2 3.56Å; P1620-W1632 WeakPolarHBondContact O-CZ2 3.42Å; P1623-W1632 HydrophobicContact CB-CD2 4.32Å; P1623-W1632 HydrophobicContact CB-CH2 3.99Å; P1623-W1632 HydrophobicContact CB-CZ2 3.55Å; P1623-W1632 HydrophobicContact CG-CD2 4.44Å; P1623-W1632 HydrophobicContact CG-CZ2 4.05Å |
| 1633 | G | 72.7 | Confident | 60.4 | Low | 12 Ų | 12 | 72.9 Ų | 72.9 | 12% | 0.124 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 152.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1589 L1590 V1631 | S1589-G1633 PolarHBondContact O-N 2.98Å; L1590-G1633 VanDerWaalsContact CD2-C 3.41Å; L1590-G1633 VanDerWaalsContact CD2-O 3.22Å; L1590-G1633 WeakPolarHBondContact CD2-O 3.31Å; V1631-G1633 PolarHBondContact O-N 3.49Å |
| 1634 | D | 70.1 | Confident | 57.8 | Low | 93 Ų | 93 | 76.7 Ų | 76.7 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 132 | 172.2 | -67.5 | -35 | 0 | 0 | 0 | 109.7 | P1636 N1646 | D1634-P1636 WeakPolarHBondContact O-CD 3.49Å; D1634-N1646 PolarHBondContact OD2-ND2 3.46Å |
| 1635 | I | 62.5 | Low | 55.5 | Low | 75 Ų | 75 | 79.4 Ų | 79.4 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -78 | 118.7 | 173.5 | -60.6 | 166.6 | 0 | 0 | 0 | 106.8 | L1590 L1591 I1601 D1637 | L1590-I1635 HydrophobicContact CB-CG1 4.28Å; L1590-I1635 HydrophobicContact CD2-CG1 4.12Å; L1591-I1635 WeakPolarHBondContact O-CD1 3.31Å; I1601-I1635 HydrophobicContact CD1-CD1 3.62Å; I1601-I1635 HydrophobicContact CG1-CD1 4.35Å; I1635-D1637 PolarHBondContact O-N 2.97Å |
| 1636 | P | 46.9 | Very low | 53.2 | Low | 99 Ų | 99 | 83.4 Ų | 83.4 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | trans | -67 | 98.8 | 178.6 | 23.8 | -29.9 | 0 | 0 | 0 | 109.5 | D1634 N1638 | D1634-P1636 WeakPolarHBondContact O-CD 3.49Å; P1636-N1638 PolarHBondContact O-N 3.17Å | ||
| 1637 | D | 43.3 | Very low | 50.6 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | trans | -77.1 | 109.4 | 176.7 | -155 | -17.3 | 0 | 0 | 0 | 108.8 | I1635 S1639 V1640 | I1635-D1637 PolarHBondContact O-N 2.97Å; D1637-S1639 PolarHBondContact O-N 3.41Å; D1637-S1639 PolarHBondContact OD1-OG 2.77Å; D1637-V1640 HydrophobicContact CB-CG2 4.2Å | ||
| 1638 | N | 37.6 | Very low | 48.1 | Very low | 175 Ų | 175 | 91.5 Ų | 91.5 | 94% | 0.936 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 19.5 | 175.6 | -97.1 | -17.3 | 0 | 0 | 0 | 113.1 | P1636 | P1636-N1638 PolarHBondContact O-N 3.17Š|
| 1639 | S | 33.3 | Very low | 46 | Very low | 94 Ų | 94 | 93 Ų | 93 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 6.2 | -177.2 | 71.4 | 0 | 0 | 0 | 0 | 115.9 | D1637 | D1637-S1639 PolarHBondContact O-N 3.41Å; D1637-S1639 PolarHBondContact OD1-OG 2.77Å |
| 1640 | V | 30.1 | Very low | 44.1 | Very low | 98 Ų | 98 | 94.9 Ų | 94.9 | 59% | 0.594 | 59% | 0.587 | S | S | * | * | trans | -121.5 | 121.9 | -178.3 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | D1637 | D1637-V1640 HydrophobicContact CB-CG2 4.2Š| ||
| 1641 | Q | 26.6 | Very low | 42.9 | Very low | 175 Ų | 175 | 91 Ų | 91 | 82% | 0.818 | 58% | 0.577 | S | S | * | * | trans | -60.1 | 146 | 172.1 | -83.3 | -174.9 | -22 | 0 | 0 | 111 | G1643 | Q1641-G1643 PolarHBondContact O-N 2.86Š| ||
| 1642 | P | 26 | Very low | 41.5 | Very low | 135 Ų | 135 | 90.8 Ų | 90.8 | 88% | 0.877 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -68.7 | 102.6 | -176.5 | 28 | -31.7 | 0 | 0 | 0 | 109.7 | ||
| 1643 | G | 28 | Very low | 39.9 | Very low | 76 Ų | 76 | 96.8 Ų | 96.8 | 78% | 0.784 | 61% | 0.614 | S | S | * | * | trans | 168.8 | 42 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1641 | Q1641-G1643 PolarHBondContact O-N 2.86Š| ||
| 1644 | A | 27.7 | Very low | 38.7 | Very low | 88 Ų | 88 | 98.9 Ų | 98.9 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -155.5 | 113.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1645 | G | 30.6 | Very low | 37.6 | Very low | 81 Ų | 81 | 98.3 Ų | 98.3 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -69.8 | 146.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1647 | G1645-G1647 PolarHBondContact O-N 3.09Å; G1645-G1647 VanDerWaalsContact O-N 3.08Å | ||
| 1646 | N | 29.5 | Very low | 37.4 | Very low | 132 Ų | 132 | 97.3 Ų | 97.3 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -44.9 | 106.2 | 172.8 | -66.3 | -7.9 | 0 | 0 | 0 | 111.7 | D1634 | D1634-N1646 PolarHBondContact OD2-ND2 3.46Š| ||
| 1647 | G | 29.3 | Very low | 37.7 | Very low | 72 Ų | 72 | 97.1 Ų | 97.1 | 74% | 0.742 | 61% | 0.614 | S | S | * | * | trans | -117.3 | 109.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G1645 | G1645-G1647 PolarHBondContact O-N 3.09Å; G1645-G1647 VanDerWaalsContact O-N 3.08Å | ||
| 1648 | E | 33.7 | Very low | 38.2 | Very low | 123 Ų | 123 | 99.2 Ų | 99.2 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | trans | -57.5 | 144 | 170.3 | -64.4 | -168.9 | 127.5 | 0 | 0 | 111.3 | V1650 | E1648-V1650 PolarHBondContact O-N 2.7Š| ||
| 1649 | P | 36.7 | Very low | 39.3 | Very low | 82 Ų | 82 | 96.8 Ų | 96.8 | 53% | 0.532 | 60% | 0.597 | S | S | . | * | trans | -74 | 97 | 171.1 | 30.5 | -29.3 | 0 | 0 | 0 | 108.7 | T1651 | P1649-T1651 PolarHBondContact O-N 3.43Š| ||
| 1650 | V | 38.6 | Very low | 40.8 | Very low | 39 Ų | 39 | 94.1 Ų | 94.1 | 24% | 0.236 | 58% | 0.581 | C | S | . | * | trans | -37.9 | 130.5 | 159.3 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | E1648 V1654 L1655 | E1648-V1650 PolarHBondContact O-N 2.7Å; V1650-V1654 HydrophobicContact CG1-CB 3.24Å; V1650-V1654 HydrophobicContact CG1-CG1 3.2Å; V1650-L1655 HydrophobicContact CB-CG 4.23Å; V1650-L1655 HydrophobicContact CG1-CB 4.46Å; V1650-L1655 HydrophobicContact CG1-CG 4.25Å; V1650-L1655 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1651 | T | 44.7 | Very low | 42.1 | Very low | 35 Ų | 35 | 95.7 Ų | 95.7 | 22% | 0.215 | 58% | 0.582 | C | S | . | * | trans | -56.2 | 154.4 | 179.5 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | W1621 P1649 E1653 V1654 L1655 | W1621-T1651 HydrophobicContact CH2-CG2 3.4Å; W1621-T1651 VanDerWaalsContact CH2-CG2 3.4Å; W1621-T1651 HydrophobicContact CZ2-CG2 3.49Å; W1621-T1651 VanDerWaalsContact CZ2-CG2 3.49Å; P1649-T1651 PolarHBondContact O-N 3.43Å; T1651-E1653 PolarHBondContact O-N 2.96Å; T1651-V1654 CarbonylContact O-C 3.58Å; T1651-V1654 PolarHBondContact O-N 3.06Å; T1651-V1654 VanDerWaalsContact OG1-CG2 3.25Å; T1651-V1654 WeakPolarHBondContact OG1-CG2 3.28Å; T1651-V1654 PolarHBondContact OG1-N 3.27Å; T1651-L1655 WeakPolarHBondContact O-CB 3.22Å; T1651-L1655 PolarHBondContact O-N 3.39Å | ||
| 1652 | A | 43.4 | Very low | 43.8 | Very low | 87 Ų | 87 | 92.3 Ų | 92.3 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -53 | -30.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1656 | A1652-A1656 WeakPolarHBondContact O-CB 3.4Å; A1652-A1656 PolarHBondContact O-N 3.43Å |
| 1653 | E | 46 | Very low | 45.8 | Very low | 159 Ų | 159 | 88.3 Ų | 88.3 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.2 | -41.2 | 172 | -82.1 | 179.9 | 146.6 | 0 | 0 | 113.2 | T1651 A1656 Q1657 | T1651-E1653 PolarHBondContact O-N 2.96Å; E1653-A1656 PolarHBondContact O-N 3.34Å; E1653-Q1657 WeakPolarHBondContact O-CB 3.32Å; E1653-Q1657 PolarHBondContact O-N 3.15Å |
| 1654 | V | 48.6 | Very low | 47.5 | Very low | 56 Ų | 56 | 89.5 Ų | 89.5 | 34% | 0.339 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -78.1 | -24.4 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | V1650 T1651 R1658 | V1650-V1654 HydrophobicContact CG1-CB 3.24Å; V1650-V1654 HydrophobicContact CG1-CG1 3.2Å; T1651-V1654 CarbonylContact O-C 3.58Å; T1651-V1654 PolarHBondContact O-N 3.06Å; T1651-V1654 VanDerWaalsContact OG1-CG2 3.25Å; T1651-V1654 WeakPolarHBondContact OG1-CG2 3.28Å; T1651-V1654 PolarHBondContact OG1-N 3.27Å; V1654-R1658 VanDerWaalsContact O-CB 3.27Å; V1654-R1658 WeakPolarHBondContact O-CB 3.46Å; V1654-R1658 WeakPolarHBondContact O-CG 3.41Å; V1654-R1658 PolarHBondContact O-N 3.19Å |
| 1655 | L | 47.5 | Very low | 49.2 | Very low | 82 Ų | 82 | 92.4 Ų | 92.4 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -39.3 | 167.7 | -107.1 | 159.8 | 0 | 0 | 0 | 110.4 | V1650 T1651 Q1659 | V1650-L1655 HydrophobicContact CB-CG 4.23Å; V1650-L1655 HydrophobicContact CG1-CB 4.46Å; V1650-L1655 HydrophobicContact CG1-CG 4.25Å; V1650-L1655 WeakPolarHBondContact O-CD1 3.45Å; T1651-L1655 WeakPolarHBondContact O-CB 3.22Å; T1651-L1655 PolarHBondContact O-N 3.39Å; L1655-Q1659 WeakPolarHBondContact O-CB 3.43Å; L1655-Q1659 WeakPolarHBondContact O-CG 3.42Å; L1655-Q1659 PolarHBondContact O-N 3.24Å |
| 1656 | A | 57.9 | Low | 51 | Low | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1652 E1653 A1660 | A1652-A1656 WeakPolarHBondContact O-CB 3.4Å; A1652-A1656 PolarHBondContact O-N 3.43Å; E1653-A1656 PolarHBondContact O-N 3.34Å; A1656-A1660 WeakPolarHBondContact O-CB 3.45Å; A1656-A1660 PolarHBondContact O-N 3.17Å |
| 1657 | Q | 53.1 | Low | 52.7 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 172.2 | -92.1 | 179.2 | -30.6 | 0 | 0 | 112.2 | E1653 Q1659 A1660 E1661 | E1653-Q1657 WeakPolarHBondContact O-CB 3.32Å; E1653-Q1657 PolarHBondContact O-N 3.15Å; Q1657-Q1659 VanDerWaalsContact C-N 3.34Å; Q1657-Q1659 PolarHBondContact O-N 3.07Å; Q1657-A1660 CarbonylContact O-C 3.46Å; Q1657-A1660 PolarHBondContact O-N 3.32Å; Q1657-A1660 VanDerWaalsContact O-N 3.15Å; Q1657-E1661 WeakPolarHBondContact O-CB 3.27Å; Q1657-E1661 WeakPolarHBondContact O-CG 3.31Å; Q1657-E1661 PolarHBondContact O-N 2.88Å |
| 1658 | R | 52.5 | Low | 54.1 | Low | 146 Ų | 146 | 96.3 Ų | 96.3 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -36.1 | 175.5 | -81.9 | -173.5 | 177.7 | 178.6 | 2.9 | 112.1 | V1654 E1662 | V1654-R1658 VanDerWaalsContact O-CB 3.27Å; V1654-R1658 WeakPolarHBondContact O-CB 3.46Å; V1654-R1658 WeakPolarHBondContact O-CG 3.41Å; V1654-R1658 PolarHBondContact O-N 3.19Å; R1658-E1662 VanDerWaalsContact O-CB 3.23Å; R1658-E1662 WeakPolarHBondContact O-CB 3.46Å; R1658-E1662 PolarHBondContact O-N 3.36Å |
| 1659 | Q | 62.7 | Low | 55.4 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.9 | -34.1 | 172.1 | -76.6 | 178.6 | -0.6 | 0 | 0 | 111.7 | L1655 Q1657 A1663 | L1655-Q1659 WeakPolarHBondContact O-CB 3.43Å; L1655-Q1659 WeakPolarHBondContact O-CG 3.42Å; L1655-Q1659 PolarHBondContact O-N 3.24Å; Q1657-Q1659 VanDerWaalsContact C-N 3.34Å; Q1657-Q1659 PolarHBondContact O-N 3.07Å; Q1659-A1663 WeakPolarHBondContact O-CA 3.22Å; Q1659-A1663 WeakPolarHBondContact O-CB 3.03Å; Q1659-A1663 PolarHBondContact O-N 3.19Å |
| 1660 | A | 63 | Low | 56.9 | Low | 39 Ų | 39 | 99.7 Ų | 99.7 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1656 Q1657 A1663 I1664 | A1656-A1660 WeakPolarHBondContact O-CB 3.45Å; A1656-A1660 PolarHBondContact O-N 3.17Å; Q1657-A1660 CarbonylContact O-C 3.46Å; Q1657-A1660 PolarHBondContact O-N 3.32Å; Q1657-A1660 VanDerWaalsContact O-N 3.15Å; A1660-A1663 PolarHBondContact O-N 3.21Å; A1660-I1664 WeakPolarHBondContact O-CB 3.2Å; A1660-I1664 WeakPolarHBondContact O-CD1 3.49Å; A1660-I1664 WeakPolarHBondContact O-CG1 3.22Å; A1660-I1664 PolarHBondContact O-N 3.22Å |
| 1661 | E | 57.5 | Low | 57.8 | Low | 131 Ų | 131 | 105.5 Ų | 105.5 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -41.9 | 173.6 | -76.8 | -179 | 161.9 | 0 | 0 | 111.7 | Q1657 A1663 I1664 R1665 | Q1657-E1661 WeakPolarHBondContact O-CB 3.27Å; Q1657-E1661 WeakPolarHBondContact O-CG 3.31Å; Q1657-E1661 PolarHBondContact O-N 2.88Å; E1661-A1663 VanDerWaalsContact C-N 3.35Å; E1661-I1664 PolarHBondContact O-N 3Å; E1661-R1665 WeakPolarHBondContact O-CB 3.28Å; E1661-R1665 PolarHBondContact O-N 3.25Å |
| 1662 | E | 63 | Low | 58.3 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 171.6 | -89.4 | -166.7 | 130.4 | 0 | 0 | 111.9 | R1658 R1666 | R1658-E1662 VanDerWaalsContact O-CB 3.23Å; R1658-E1662 WeakPolarHBondContact O-CB 3.46Å; R1658-E1662 PolarHBondContact O-N 3.36Å; E1662-R1666 WeakPolarHBondContact O-CB 3.17Å; E1662-R1666 VanDerWaalsContact O-CG 3.24Å; E1662-R1666 WeakPolarHBondContact O-CG 3.32Å; E1662-R1666 PolarHBondContact O-N 3.21Å |
| 1663 | A | 67.7 | Low | 59.2 | Low | 52 Ų | 52 | 107.3 Ų | 107.3 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1659 A1660 E1661 R1665 R1666 E1667 | Q1659-A1663 WeakPolarHBondContact O-CA 3.22Å; Q1659-A1663 WeakPolarHBondContact O-CB 3.03Å; Q1659-A1663 PolarHBondContact O-N 3.19Å; A1660-A1663 PolarHBondContact O-N 3.21Å; E1661-A1663 VanDerWaalsContact C-N 3.35Å; A1663-R1665 VanDerWaalsContact C-N 3.33Å; A1663-R1666 PolarHBondContact O-N 3.5Å; A1663-E1667 WeakPolarHBondContact O-CB 3.24Å; A1663-E1667 PolarHBondContact O-N 2.78Å |
| 1664 | I | 64.3 | Low | 60 | Low | 100 Ų | 100 | 104.9 Ų | 104.9 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.5 | -71.4 | 164.4 | 0 | 0 | 0 | 109.8 | A1660 E1661 E1667 T1668 | A1660-I1664 WeakPolarHBondContact O-CB 3.2Å; A1660-I1664 WeakPolarHBondContact O-CD1 3.49Å; A1660-I1664 WeakPolarHBondContact O-CG1 3.22Å; A1660-I1664 PolarHBondContact O-N 3.22Å; E1661-I1664 PolarHBondContact O-N 3Å; I1664-E1667 PolarHBondContact O-N 3.27Å; I1664-T1668 WeakPolarHBondContact O-CB 3.45Å; I1664-T1668 WeakPolarHBondContact O-CG2 3.22Å; I1664-T1668 PolarHBondContact O-N 3.33Å; I1664-T1668 PolarHBondContact O-OG1 2.63Å |
| 1665 | R | 62.7 | Low | 60.5 | Low | 149 Ų | 149 | 106.9 Ų | 106.9 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 177 | -176.3 | -179.9 | 162.6 | -171.4 | -4.9 | 112.4 | E1661 A1663 E1667 T1668 E1669 | E1661-R1665 WeakPolarHBondContact O-CB 3.28Å; E1661-R1665 PolarHBondContact O-N 3.25Å; A1663-R1665 VanDerWaalsContact C-N 3.33Å; R1665-E1667 VanDerWaalsContact C-N 3.3Å; R1665-E1667 PolarHBondContact O-N 3.04Å; R1665-T1668 VanDerWaalsContact CA-OG1 3.3Å; R1665-T1668 WeakPolarHBondContact CA-OG1 3.42Å; R1665-T1668 PolarHBondContact O-N 3.44Å; R1665-T1668 PolarHBondContact O-OG1 2.83Å; R1665-E1669 IonicContact CZ-OE1 2.66Å; R1665-E1669 IonicContact NE-OE1 3.92Å; R1665-E1669 PolarHBondContact NE-OE1 2.99Å; R1665-E1669 IonicContact NH2-OE1 3.58Å; R1665-E1669 PolarHBondContact NH2-OE1 3.43Å; R1665-E1669 VanDerWaalsContact O-CB 3.26Å; R1665-E1669 WeakPolarHBondContact O-CB 3.44Å; R1665-E1669 VanDerWaalsContact O-CG 3.31Å; R1665-E1669 WeakPolarHBondContact O-CG 3.38Å; R1665-E1669 PolarHBondContact O-N 3.16Å |
| 1666 | R | 68.2 | Low | 61 | Low | 169 Ų | 169 | 106.3 Ų | 106.3 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -33.1 | 174.1 | -79.4 | -180 | -178.8 | -176.9 | 4.8 | 111.4 | E1662 A1663 R1670 | E1662-R1666 WeakPolarHBondContact O-CB 3.17Å; E1662-R1666 VanDerWaalsContact O-CG 3.24Å; E1662-R1666 WeakPolarHBondContact O-CG 3.32Å; E1662-R1666 PolarHBondContact O-N 3.21Å; A1663-R1666 PolarHBondContact O-N 3.5Å; R1666-R1670 WeakPolarHBondContact O-CB 3.31Å; R1666-R1670 PolarHBondContact O-N 2.81Å |
| 1667 | E | 64.9 | Low | 61.2 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.7 | -32.8 | 177.9 | -167.4 | 156.8 | 178.6 | 0 | 0 | 112.1 | A1663 I1664 R1665 R1671 | A1663-E1667 WeakPolarHBondContact O-CB 3.24Å; A1663-E1667 PolarHBondContact O-N 2.78Å; I1664-E1667 PolarHBondContact O-N 3.27Å; R1665-E1667 VanDerWaalsContact C-N 3.3Å; R1665-E1667 PolarHBondContact O-N 3.04Å; E1667-R1671 VanDerWaalsContact O-CB 3.29Å; E1667-R1671 WeakPolarHBondContact O-CB 3.41Å; E1667-R1671 WeakPolarHBondContact O-CG 3.4Å; E1667-R1671 PolarHBondContact O-N 2.82Å |
| 1668 | T | 59.1 | Low | 61.5 | Low | 80 Ų | 80 | 114 Ų | 114 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.8 | -39.9 | 169.1 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | I1664 R1665 R1671 A1672 | I1664-T1668 WeakPolarHBondContact O-CB 3.45Å; I1664-T1668 WeakPolarHBondContact O-CG2 3.22Å; I1664-T1668 PolarHBondContact O-N 3.33Å; I1664-T1668 PolarHBondContact O-OG1 2.63Å; R1665-T1668 VanDerWaalsContact CA-OG1 3.3Å; R1665-T1668 WeakPolarHBondContact CA-OG1 3.42Å; R1665-T1668 PolarHBondContact O-N 3.44Å; R1665-T1668 PolarHBondContact O-OG1 2.83Å; T1668-R1671 PolarHBondContact O-N 3.18Å; T1668-A1672 VanDerWaalsContact O-CB 3.27Å; T1668-A1672 WeakPolarHBondContact O-CB 3.45Å; T1668-A1672 PolarHBondContact O-N 3.47Å |
| 1669 | E | 60.7 | Low | 61.4 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 170.8 | -77.9 | 173.4 | -176.3 | 0 | 0 | 110.7 | R1665 A1672 D1673 | R1665-E1669 IonicContact CZ-OE1 2.66Å; R1665-E1669 IonicContact NE-OE1 3.92Å; R1665-E1669 PolarHBondContact NE-OE1 2.99Å; R1665-E1669 IonicContact NH2-OE1 3.58Å; R1665-E1669 PolarHBondContact NH2-OE1 3.43Å; R1665-E1669 VanDerWaalsContact O-CB 3.26Å; R1665-E1669 WeakPolarHBondContact O-CB 3.44Å; R1665-E1669 VanDerWaalsContact O-CG 3.31Å; R1665-E1669 WeakPolarHBondContact O-CG 3.38Å; R1665-E1669 PolarHBondContact O-N 3.16Å; E1669-A1672 PolarHBondContact O-N 2.98Å; E1669-D1673 WeakPolarHBondContact O-CB 3.26Å; E1669-D1673 PolarHBondContact O-N 3.44Å |
| 1670 | R | 69.9 | Low | 60.9 | Low | 186 Ų | 186 | 111.2 Ų | 111.2 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -35 | 176.5 | -162 | 179.7 | -163.6 | 176.5 | 4.4 | 112.7 | R1666 E1674 | R1666-R1670 WeakPolarHBondContact O-CB 3.31Å; R1666-R1670 PolarHBondContact O-N 2.81Å; R1670-E1674 WeakPolarHBondContact O-CB 3.4Å; R1670-E1674 PolarHBondContact O-N 3.21Å |
| 1671 | R | 57.5 | Low | 60.6 | Low | 161 Ų | 161 | 116 Ų | 116 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.2 | -39 | 170.7 | -84.7 | -178.1 | 175.2 | -178.1 | 1 | 111.8 | E1667 T1668 E1674 I1675 | E1667-R1671 VanDerWaalsContact O-CB 3.29Å; E1667-R1671 WeakPolarHBondContact O-CB 3.41Å; E1667-R1671 WeakPolarHBondContact O-CG 3.4Å; E1667-R1671 PolarHBondContact O-N 2.82Å; T1668-R1671 PolarHBondContact O-N 3.18Å; R1671-E1674 PolarHBondContact O-N 3.28Å; R1671-I1675 WeakPolarHBondContact O-CB 3.36Å; R1671-I1675 WeakPolarHBondContact O-CD1 2.84Å; R1671-I1675 WeakPolarHBondContact O-CG1 3.42Å; R1671-I1675 PolarHBondContact O-N 2.98Å |
| 1672 | A | 54.6 | Low | 60.3 | Low | 49 Ų | 49 | 116.3 Ų | 116.3 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1668 E1669 I1675 V1676 | T1668-A1672 VanDerWaalsContact O-CB 3.27Å; T1668-A1672 WeakPolarHBondContact O-CB 3.45Å; T1668-A1672 PolarHBondContact O-N 3.47Å; E1669-A1672 PolarHBondContact O-N 2.98Å; A1672-I1675 PolarHBondContact O-N 3.42Å; A1672-V1676 WeakPolarHBondContact O-CB 3.37Å; A1672-V1676 VanDerWaalsContact O-CG2 3.25Å; A1672-V1676 WeakPolarHBondContact O-CG2 3.25Å; A1672-V1676 PolarHBondContact O-N 3.23Å |
| 1673 | D | 61.2 | Low | 59.6 | Low | 112 Ų | 112 | 118.8 Ų | 118.8 | 60% | 0.599 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -38.4 | 174.5 | -78.9 | -16.1 | 0 | 0 | 0 | 112.5 | E1669 V1676 R1677 | E1669-D1673 WeakPolarHBondContact O-CB 3.26Å; E1669-D1673 PolarHBondContact O-N 3.44Å; D1673-V1676 PolarHBondContact O-N 2.89Å; D1673-R1677 WeakPolarHBondContact O-CB 3.11Å; D1673-R1677 PolarHBondContact O-N 3.39Å |
| 1674 | E | 64.4 | Low | 58.4 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -37.2 | 172.5 | -91.2 | -168.6 | 159 | 0 | 0 | 112.5 | R1670 R1671 R1677 K1678 | R1670-E1674 WeakPolarHBondContact O-CB 3.4Å; R1670-E1674 PolarHBondContact O-N 3.21Å; R1671-E1674 PolarHBondContact O-N 3.28Å; E1674-R1677 PolarHBondContact O-N 3.15Å; E1674-K1678 VanDerWaalsContact O-CB 3.28Å; E1674-K1678 WeakPolarHBondContact O-CB 3.15Å; E1674-K1678 VanDerWaalsContact O-CG 3.32Å; E1674-K1678 WeakPolarHBondContact O-CG 3.36Å; E1674-K1678 PolarHBondContact O-N 3.24Å |
| 1675 | I | 57.9 | Low | 57.8 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.7 | -43.4 | 175.8 | -71 | 164 | 0 | 0 | 0 | 110 | R1671 A1672 R1677 K1678 M1679 | R1671-I1675 WeakPolarHBondContact O-CB 3.36Å; R1671-I1675 WeakPolarHBondContact O-CD1 2.84Å; R1671-I1675 WeakPolarHBondContact O-CG1 3.42Å; R1671-I1675 PolarHBondContact O-N 2.98Å; A1672-I1675 PolarHBondContact O-N 3.42Å; I1675-R1677 VanDerWaalsContact C-N 3.33Å; I1675-R1677 PolarHBondContact O-N 2.88Å; I1675-K1678 PolarHBondContact O-N 3.1Å; I1675-M1679 HydrophobicContact CG2-CE 4.42Å; I1675-M1679 WeakPolarHBondContact O-CB 3.48Å; I1675-M1679 WeakPolarHBondContact O-CG 3.47Å; I1675-M1679 PolarHBondContact O-N 3.33Å |
| 1676 | V | 57.9 | Low | 57.1 | Low | 70 Ų | 70 | 122.5 Ų | 122.5 | 42% | 0.424 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | A1672 D1673 M1679 A1680 | A1672-V1676 WeakPolarHBondContact O-CB 3.37Å; A1672-V1676 VanDerWaalsContact O-CG2 3.25Å; A1672-V1676 WeakPolarHBondContact O-CG2 3.25Å; A1672-V1676 PolarHBondContact O-N 3.23Å; D1673-V1676 PolarHBondContact O-N 2.89Å; V1676-M1679 PolarHBondContact O-N 3.31Å; V1676-A1680 WeakPolarHBondContact O-CB 3.12Å; V1676-A1680 PolarHBondContact O-N 2.77Å |
| 1677 | R | 62.3 | Low | 56.3 | Low | 181 Ų | 181 | 119 Ų | 119 | 68% | 0.683 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -40.5 | 178.4 | -166 | 175.2 | 168.3 | -172.5 | -3.1 | 112.7 | D1673 E1674 I1675 M1679 A1680 E1681 | D1673-R1677 WeakPolarHBondContact O-CB 3.11Å; D1673-R1677 PolarHBondContact O-N 3.39Å; E1674-R1677 PolarHBondContact O-N 3.15Å; I1675-R1677 VanDerWaalsContact C-N 3.33Å; I1675-R1677 PolarHBondContact O-N 2.88Å; R1677-M1679 VanDerWaalsContact C-N 3.34Å; R1677-A1680 PolarHBondContact O-N 3.16Å; R1677-E1681 PolarHBondContact O-N 2.7Å; R1677-E1681 VanDerWaalsContact O-N 3.11Å |
| 1678 | K | 59.3 | Low | 55.6 | Low | 129 Ų | 129 | 120.3 Ų | 120.3 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.8 | -30 | 173.2 | -78.4 | 177.5 | 178.3 | 170.5 | 0 | 113 | E1674 I1675 | E1674-K1678 VanDerWaalsContact O-CB 3.28Å; E1674-K1678 WeakPolarHBondContact O-CB 3.15Å; E1674-K1678 VanDerWaalsContact O-CG 3.32Å; E1674-K1678 WeakPolarHBondContact O-CG 3.36Å; E1674-K1678 PolarHBondContact O-N 3.24Å; I1675-K1678 PolarHBondContact O-N 3.1Å |
| 1679 | M | 50.3 | Low | 55.2 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.1 | -33.2 | 172.8 | -78.4 | -166.3 | 173.2 | 0 | 0 | 112.1 | I1675 V1676 R1677 E1681 N1682 | I1675-M1679 HydrophobicContact CG2-CE 4.42Å; I1675-M1679 WeakPolarHBondContact O-CB 3.48Å; I1675-M1679 WeakPolarHBondContact O-CG 3.47Å; I1675-M1679 PolarHBondContact O-N 3.33Å; V1676-M1679 PolarHBondContact O-N 3.31Å; R1677-M1679 VanDerWaalsContact C-N 3.34Å; M1679-E1681 VanDerWaalsContact C-N 3.33Å; M1679-N1682 PolarHBondContact O-N 3.43Å |
| 1680 | A | 53.5 | Low | 54.9 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67 | -31.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1676 R1677 N1682 | V1676-A1680 WeakPolarHBondContact O-CB 3.12Å; V1676-A1680 PolarHBondContact O-N 2.77Å; R1677-A1680 PolarHBondContact O-N 3.16Å; A1680-N1682 PolarHBondContact O-N 3.23Å |
| 1681 | E | 55.2 | Low | 54 | Low | 140 Ų | 140 | 116.4 Ų | 116.4 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -15.2 | 175.4 | -76.7 | 175.5 | 177 | 0 | 0 | 113.9 | R1677 M1679 | R1677-E1681 PolarHBondContact O-N 2.7Å; R1677-E1681 VanDerWaalsContact O-N 3.11Å; M1679-E1681 VanDerWaalsContact C-N 3.33Å |
| 1682 | N | 52.3 | Low | 53.6 | Low | 137 Ų | 137 | 116 Ų | 116 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 9.5 | -173.6 | -88 | -30.7 | 0 | 0 | 0 | 115.8 | M1679 A1680 | M1679-N1682 PolarHBondContact O-N 3.43Å; A1680-N1682 PolarHBondContact O-N 3.23Å |
| 1683 | K | 47 | Very low | 53.6 | Low | 155 Ų | 155 | 118.8 Ų | 118.8 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | trans | -143.7 | 98.7 | 174.7 | -72.8 | -170.3 | 179 | 174.6 | 0 | 112.5 | D1685 | K1683-D1685 PolarHBondContact O-N 3.44Š| ||
| 1684 | P | 43.8 | Very low | 53.2 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 79% | 0.792 | 61% | 0.614 | S | S | * | * | trans | -77.3 | -7.6 | -172.7 | -12.6 | 28.1 | 0 | 0 | 0 | 116.6 | ||||
| 1685 | D | 52 | Low | 52.6 | Low | 151 Ų | 151 | 114 Ų | 114 | 81% | 0.807 | 61% | 0.61 | S | S | * | * | trans | -129.2 | 41.9 | -159.5 | -71 | -34.2 | 0 | 0 | 0 | 116.6 | K1683 | K1683-D1685 PolarHBondContact O-N 3.44Š| ||
| 1686 | L | 46.1 | Very low | 52.4 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 56% | 0.555 | 62% | 0.621 | S | S | * | * | trans | -125.9 | 129.9 | 174.5 | -83.6 | 151.5 | 0 | 0 | 0 | 112.8 | ||||
| 1687 | P | 52.3 | Low | 52.4 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | trans | -73.7 | 139.6 | -172.6 | 26.8 | -31.4 | 0 | 0 | 0 | 113.2 | G1689 K1690 | P1687-G1689 PolarHBondContact O-N 2.92Å; P1687-K1690 PolarHBondContact O-N 3.33Å; P1687-K1690 VanDerWaalsContact O-N 3.12Å | ||
| 1688 | D | 49.8 | Very low | 51.9 | Low | 145 Ų | 145 | 116.8 Ų | 116.8 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | -24.2 | -162.2 | -70.2 | -32 | 0 | 0 | 0 | 117.4 | ||
| 1689 | G | 52.1 | Low | 51.2 | Low | 56 Ų | 56 | 113.3 Ų | 113.3 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.1 | -18.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1687 | P1687-G1689 PolarHBondContact O-N 2.92Å |
| 1690 | K | 52.9 | Low | 51.3 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 67% | 0.665 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95.8 | -19.2 | -179.3 | -76.2 | -171.9 | 176.3 | -177.6 | 0 | 113.7 | P1687 A1694 | P1687-K1690 PolarHBondContact O-N 3.33Å; P1687-K1690 VanDerWaalsContact O-N 3.12Å; K1690-A1694 WeakPolarHBondContact O-CB 3.14Å; K1690-A1694 PolarHBondContact O-N 3.11Å; K1690-A1694 VanDerWaalsContact O-N 3.07Å |
| 1691 | T | 52.1 | Low | 51 | Low | 66 Ų | 66 | 111 Ų | 111 | 41% | 0.405 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.1 | -39 | 178.3 | -37.9 | 0 | 0 | 0 | 0 | 110.8 | L1693 A1694 V1695 | T1691-L1693 PolarHBondContact O-N 3.26Å; T1691-A1694 PolarHBondContact O-N 3.38Å; T1691-V1695 VanDerWaalsContact O-CB 3.29Å; T1691-V1695 WeakPolarHBondContact O-CB 3.28Å; T1691-V1695 WeakPolarHBondContact O-CG2 3.2Å; T1691-V1695 PolarHBondContact O-N 3.02Å |
| 1692 | E | 49.6 | Very low | 50.3 | Low | 151 Ų | 151 | 109.3 Ų | 109.3 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.8 | -37.1 | 175.1 | -78.7 | -170.8 | 148.3 | 0 | 0 | 113.5 | R1696 | E1692-R1696 WeakPolarHBondContact O-CB 2.8Å; E1692-R1696 PolarHBondContact O-N 3.38Å |
| 1693 | L | 53.6 | Low | 49.6 | Very low | 109 Ų | 109 | 112 Ų | 112 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71 | -42.4 | 176.3 | -97.2 | 155.4 | 0 | 0 | 0 | 111.9 | T1691 V1695 R1696 D1697 | T1691-L1693 PolarHBondContact O-N 3.26Å; L1693-V1695 VanDerWaalsContact C-N 3.35Å; L1693-R1696 PolarHBondContact O-N 3.42Å; L1693-D1697 WeakPolarHBondContact O-CB 3.03Å; L1693-D1697 PolarHBondContact O-N 3.15Å |
| 1694 | A | 52.5 | Low | 49.3 | Very low | 49 Ų | 49 | 109.8 Ų | 109.8 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1690 T1691 I1698 | K1690-A1694 WeakPolarHBondContact O-CB 3.14Å; K1690-A1694 PolarHBondContact O-N 3.11Å; K1690-A1694 VanDerWaalsContact O-N 3.07Å; T1691-A1694 PolarHBondContact O-N 3.38Å; A1694-I1698 WeakPolarHBondContact O-CB 3.11Å; A1694-I1698 WeakPolarHBondContact O-CD1 3.13Å; A1694-I1698 WeakPolarHBondContact O-CG1 3.4Å; A1694-I1698 PolarHBondContact O-N 3.41Å |
| 1695 | V | 52.9 | Low | 49 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 42% | 0.418 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -37.5 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | T1691 L1693 A1699 | T1691-V1695 VanDerWaalsContact O-CB 3.29Å; T1691-V1695 WeakPolarHBondContact O-CB 3.28Å; T1691-V1695 WeakPolarHBondContact O-CG2 3.2Å; T1691-V1695 PolarHBondContact O-N 3.02Å; L1693-V1695 VanDerWaalsContact C-N 3.35Å; V1695-A1699 WeakPolarHBondContact O-CB 3.45Å; V1695-A1699 PolarHBondContact O-N 3.44Å |
| 1696 | R | 53.8 | Low | 48.3 | Very low | 198 Ų | 198 | 109.5 Ų | 109.5 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70 | -40.3 | 174.2 | -88.7 | -175.6 | 171.5 | 170.7 | 0.3 | 113.5 | E1692 L1693 G1700 | E1692-R1696 WeakPolarHBondContact O-CB 2.8Å; E1692-R1696 PolarHBondContact O-N 3.38Å; L1693-R1696 PolarHBondContact O-N 3.42Å; R1696-G1700 PolarHBondContact O-N 2.92Å |
| 1697 | D | 56 | Low | 47.8 | Very low | 103 Ų | 103 | 107.3 Ų | 107.3 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 177.7 | -84.9 | -5.2 | 0 | 0 | 0 | 111.6 | L1693 G1700 Q1701 | L1693-D1697 WeakPolarHBondContact O-CB 3.03Å; L1693-D1697 PolarHBondContact O-N 3.15Å; D1697-G1700 PolarHBondContact O-N 3.07Å; D1697-Q1701 WeakPolarHBondContact O-CB 3Å; D1697-Q1701 VanDerWaalsContact O-CG 3.3Å; D1697-Q1701 WeakPolarHBondContact O-CG 3.4Å; D1697-Q1701 PolarHBondContact O-N 3.11Å |
| 1698 | I | 52.7 | Low | 46.7 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 55% | 0.549 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.8 | -38.7 | 176.1 | -66.3 | 168.3 | 0 | 0 | 0 | 111.1 | A1694 G1700 Q1701 E1702 | A1694-I1698 WeakPolarHBondContact O-CB 3.11Å; A1694-I1698 WeakPolarHBondContact O-CD1 3.13Å; A1694-I1698 WeakPolarHBondContact O-CG1 3.4Å; A1694-I1698 PolarHBondContact O-N 3.41Å; I1698-G1700 VanDerWaalsContact C-N 3.29Å; I1698-G1700 PolarHBondContact O-N 2.64Å; I1698-Q1701 PolarHBondContact O-N 3.26Å; I1698-E1702 PolarHBondContact O-N 3.14Å |
| 1699 | A | 45.5 | Very low | 45.9 | Very low | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -31.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1695 R1703 | V1695-A1699 WeakPolarHBondContact O-CB 3.45Å; V1695-A1699 PolarHBondContact O-N 3.44Å; A1699-R1703 WeakPolarHBondContact O-CB 3.31Å; A1699-R1703 PolarHBondContact O-N 3.33Å; A1699-R1703 VanDerWaalsContact O-N 3.1Å |
| 1700 | G | 51.2 | Low | 44.8 | Very low | 30 Ų | 30 | 110.5 Ų | 110.5 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.6 | -44.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1696 D1697 I1698 R1703 D1704 | R1696-G1700 PolarHBondContact O-N 2.92Å; D1697-G1700 PolarHBondContact O-N 3.07Å; I1698-G1700 VanDerWaalsContact C-N 3.29Å; I1698-G1700 PolarHBondContact O-N 2.64Å; G1700-R1703 PolarHBondContact O-N 3.04Å; G1700-D1704 WeakPolarHBondContact O-CB 3.33Å; G1700-D1704 PolarHBondContact O-N 3.37Å |
| 1701 | Q | 48.4 | Very low | 43.6 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -32.1 | 178.1 | -75.4 | 178.5 | 1.4 | 0 | 0 | 113.7 | D1697 I1698 R1705 | D1697-Q1701 WeakPolarHBondContact O-CB 3Å; D1697-Q1701 VanDerWaalsContact O-CG 3.3Å; D1697-Q1701 WeakPolarHBondContact O-CG 3.4Å; D1697-Q1701 PolarHBondContact O-N 3.11Å; I1698-Q1701 PolarHBondContact O-N 3.26Å; Q1701-R1705 WeakPolarHBondContact O-CB 3.31Å; Q1701-R1705 WeakPolarHBondContact O-CG 3.4Å; Q1701-R1705 PolarHBondContact O-N 3.28Å |
| 1702 | E | 39.7 | Very low | 42.3 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.3 | -37.1 | 171.6 | -81.3 | -73.8 | 134.7 | 0 | 0 | 111.8 | I1698 R1705 T1706 | I1698-E1702 PolarHBondContact O-N 3.14Å; E1702-R1705 PolarHBondContact O-N 2.95Å; E1702-R1705 IonicContact OE1-NH1 3.78Å; E1702-T1706 PolarHBondContact O-N 2.74Å; E1702-T1706 PolarHBondContact O-OG1 3.4Å; E1702-T1706 VanDerWaalsContact O-OG1 3.11Å |
| 1703 | R | 38.6 | Very low | 41.3 | Very low | 193 Ų | 193 | 118.2 Ų | 118.2 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.4 | -41.9 | 170.8 | -92.3 | -176.2 | 174.4 | 171 | 0.2 | 112.7 | A1699 G1700 R1705 T1706 A1707 | A1699-R1703 WeakPolarHBondContact O-CB 3.31Å; A1699-R1703 PolarHBondContact O-N 3.33Å; A1699-R1703 VanDerWaalsContact O-N 3.1Å; G1700-R1703 PolarHBondContact O-N 3.04Å; R1703-R1705 VanDerWaalsContact C-N 3.35Å; R1703-T1706 WeakPolarHBondContact CA-OG1 3.41Å; R1703-T1706 PolarHBondContact O-N 3.34Å; R1703-T1706 PolarHBondContact O-OG1 3.08Å; R1703-A1707 WeakPolarHBondContact O-CB 3.34Å; R1703-A1707 PolarHBondContact O-N 3.18Å |
| 1704 | D | 39.6 | Very low | 40.1 | Very low | 109 Ų | 109 | 118 Ų | 118 | 58% | 0.583 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.9 | -30.5 | 177.5 | -77.9 | -15.4 | 0 | 0 | 0 | 112.1 | G1700 A1707 T1708 | G1700-D1704 WeakPolarHBondContact O-CB 3.33Å; G1700-D1704 PolarHBondContact O-N 3.37Å; D1704-A1707 PolarHBondContact O-N 3.29Å; D1704-T1708 PolarHBondContact O-N 3.3Å; D1704-T1708 PolarHBondContact O-OG1 3.35Å |
| 1705 | R | 38.1 | Very low | 39 | Very low | 178 Ų | 178 | 122.4 Ų | 122.4 | 67% | 0.672 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.8 | -35.2 | 169.9 | -88.5 | 179.4 | 165.5 | 176.7 | -3.2 | 113 | Q1701 E1702 R1703 | Q1701-R1705 WeakPolarHBondContact O-CB 3.31Å; Q1701-R1705 WeakPolarHBondContact O-CG 3.4Å; Q1701-R1705 PolarHBondContact O-N 3.28Å; E1702-R1705 PolarHBondContact O-N 2.95Å; E1702-R1705 IonicContact OE1-NH1 3.78Å; R1703-R1705 VanDerWaalsContact C-N 3.35Å |
| 1706 | T | 37 | Very low | 38.2 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.7 | -28 | 171.8 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | E1702 R1703 S1709 | E1702-T1706 PolarHBondContact O-N 2.74Å; E1702-T1706 PolarHBondContact O-OG1 3.4Å; E1702-T1706 VanDerWaalsContact O-OG1 3.11Å; R1703-T1706 WeakPolarHBondContact CA-OG1 3.41Å; R1703-T1706 PolarHBondContact O-N 3.34Å; R1703-T1706 PolarHBondContact O-OG1 3.08Å; T1706-S1709 PolarHBondContact O-OG 2.85Å |
| 1707 | A | 34.6 | Very low | 37.4 | Very low | 59 Ų | 59 | 119.2 Ų | 119.2 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -80.7 | -20.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1703 D1704 | R1703-A1707 WeakPolarHBondContact O-CB 3.34Å; R1703-A1707 PolarHBondContact O-N 3.18Å; D1704-A1707 PolarHBondContact O-N 3.29Å |
| 1708 | T | 30.9 | Very low | 36.4 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 71% | 0.712 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -3.9 | 175.3 | 35.3 | 0 | 0 | 0 | 0 | 114.4 | D1704 | D1704-T1708 PolarHBondContact O-N 3.3Å; D1704-T1708 PolarHBondContact O-OG1 3.35Å |
| 1709 | S | 31.3 | Very low | 35.7 | Very low | 79 Ų | 79 | 115.7 Ų | 115.7 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 4.9 | 169.4 | 79.9 | 0 | 0 | 0 | 0 | 114.3 | T1706 R1711 | T1706-S1709 PolarHBondContact O-OG 2.85Å; S1709-R1711 PolarHBondContact O-N 3.19Å |
| 1710 | E | 30.4 | Very low | 35.5 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 13.3 | 176 | -72.3 | -170 | 159.2 | 0 | 0 | 114.1 | ||
| 1711 | R | 26.7 | Very low | 35.1 | Very low | 242 Ų | 242 | 122.1 Ų | 122.1 | 91% | 0.913 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 8.6 | 173.5 | -94.4 | -174.6 | 177.5 | -179.4 | 0.1 | 115.5 | S1709 | S1709-R1711 PolarHBondContact O-N 3.19Š|
| 1712 | E | 25.6 | Very low | 34.5 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -110.3 | 105.4 | 169 | -74.7 | -174.9 | 163.3 | 0 | 0 | 110 | ||
| 1713 | T | 27.6 | Very low | 34.5 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | 30.8 | 104.7 | 155.5 | 50.2 | 0 | 0 | 0 | 0 | 117.1 | L1715 | T1713-L1715 PolarHBondContact O-N 3.07Š| ||
| 1714 | A | 29.9 | Very low | 34.9 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 88% | 0.876 | 62% | 0.615 | S | S | * | * | trans | -50.9 | 107.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1715 | L | 29.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 117.7 Ų | 117.7 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | trans | -66.1 | 136.1 | 167.4 | -79.9 | 159.5 | 0 | 0 | 0 | 108.6 | T1713 | T1713-L1715 PolarHBondContact O-N 3.07Š| ||
| 1716 | P | 35.6 | Very low | 35.6 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | trans | -62.8 | 139.8 | 174.6 | -16.6 | 28.9 | 0 | 0 | 0 | 110.9 | S1718 V1719 | P1716-S1718 PolarHBondContact O-N 2.76Å; P1716-V1719 PolarHBondContact O-N 2.78Å | ||
| 1717 | E | 37.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.7 | -8.7 | 176.6 | -92.1 | -173.4 | 96.9 | 0 | 0 | 116.3 | R1721 | E1717-R1721 WeakPolarHBondContact O-CG 3.36Å; E1717-R1721 IonicContact OE1-CZ 3.94Å; E1717-R1721 IonicContact OE1-NH2 3.07Å; E1717-R1721 PolarHBondContact OE1-NH2 2.92Å |
| 1718 | S | 35.1 | Very low | 37.3 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.2 | -32.4 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | P1716 | P1716-S1718 PolarHBondContact O-N 2.76Å |
| 1719 | V | 38.1 | Very low | 38.3 | Very low | 56 Ų | 56 | 119.9 Ų | 119.9 | 34% | 0.339 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.7 | -28.9 | -172.7 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | P1716 | P1716-V1719 PolarHBondContact O-N 2.78Å |
| 1720 | L | 40.9 | Very low | 39.7 | Very low | 136 Ų | 136 | 121 Ų | 121 | 71% | 0.712 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.9 | -26.1 | 175.9 | -73.5 | 165.6 | 0 | 0 | 0 | 112.9 | Q1724 | L1720-Q1724 PolarHBondContact O-N 2.92Å |
| 1721 | R | 41.7 | Very low | 41.2 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 32% | 0.321 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -75 | -24.7 | 177.9 | -69.9 | -176.1 | -164.4 | -161.5 | 9.4 | 113 | E1717 R1725 | E1717-R1721 WeakPolarHBondContact O-CG 3.36Å; E1717-R1721 IonicContact OE1-CZ 3.94Å; E1717-R1721 IonicContact OE1-NH2 3.07Å; E1717-R1721 PolarHBondContact OE1-NH2 2.92Å; R1721-R1725 VanDerWaalsContact O-CB 3.3Å; R1721-R1725 WeakPolarHBondContact O-CB 3.46Å; R1721-R1725 WeakPolarHBondContact O-CG 3.23Å; R1721-R1725 PolarHBondContact O-N 2.92Å |
| 1722 | E | 37.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.1 | -44 | 178.7 | -118 | 171.9 | -179.5 | 0 | 0 | 112.4 | Q1724 R1725 E1726 | E1722-Q1724 VanDerWaalsContact C-N 3.32Å; E1722-Q1724 PolarHBondContact O-N 3.12Å; E1722-R1725 PolarHBondContact O-N 3.46Å; E1722-E1726 PolarHBondContact O-N 2.92Å |
| 1723 | S | 38.2 | Very low | 44.7 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.6 | -27.2 | 176.1 | -159.9 | 0 | 0 | 0 | 0 | 112.9 | R1727 | S1723-R1727 WeakPolarHBondContact O-CB 3.48Å; S1723-R1727 VanDerWaalsContact O-CG 3.26Å; S1723-R1727 WeakPolarHBondContact O-CG 3.37Å; S1723-R1727 PolarHBondContact O-N 3.48Å; S1723-R1727 VanDerWaalsContact O-N 3.11Å |
| 1724 | Q | 48.6 | Very low | 46.5 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74 | -39.7 | 169 | -80.5 | -169.3 | -17.3 | 0 | 0 | 112.5 | L1720 E1722 R1727 E1728 | L1720-Q1724 PolarHBondContact O-N 2.92Å; E1722-Q1724 VanDerWaalsContact C-N 3.32Å; E1722-Q1724 PolarHBondContact O-N 3.12Å; Q1724-R1727 CarbonylContact O-C 3.51Å; Q1724-R1727 PolarHBondContact O-N 2.91Å; Q1724-E1728 WeakPolarHBondContact O-CB 3.4Å; Q1724-E1728 WeakPolarHBondContact O-CG 3.22Å; Q1724-E1728 PolarHBondContact O-N 3.41Å |
| 1725 | R | 46.2 | Very low | 48.1 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.3 | -37.6 | 173.2 | -84.1 | 179.9 | 173.5 | -177.7 | -3 | 112.9 | R1721 E1722 E1728 A1729 | R1721-R1725 VanDerWaalsContact O-CB 3.3Å; R1721-R1725 WeakPolarHBondContact O-CB 3.46Å; R1721-R1725 WeakPolarHBondContact O-CG 3.23Å; R1721-R1725 PolarHBondContact O-N 2.92Å; E1722-R1725 PolarHBondContact O-N 3.46Å; R1725-E1728 PolarHBondContact O-N 3.47Å; R1725-A1729 WeakPolarHBondContact O-CB 3.33Å; R1725-A1729 PolarHBondContact O-N 3.18Å |
| 1726 | E | 44.9 | Very low | 49.5 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.5 | -40.9 | 171.8 | -82.8 | -170.6 | 147.9 | 0 | 0 | 111.4 | E1722 V1730 | E1722-E1726 PolarHBondContact O-N 2.92Å; E1726-V1730 VanDerWaalsContact O-CB 3.29Å; E1726-V1730 WeakPolarHBondContact O-CB 3.41Å; E1726-V1730 WeakPolarHBondContact O-CG2 3.43Å; E1726-V1730 PolarHBondContact O-N 3.47Å |
| 1727 | R | 50.2 | Low | 50.8 | Low | 177 Ų | 177 | 112.9 Ų | 112.9 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.6 | -32.8 | 175.5 | -76.6 | 177 | 178.2 | -178.6 | 3.1 | 113.1 | S1723 Q1724 R1731 | S1723-R1727 WeakPolarHBondContact O-CB 3.48Å; S1723-R1727 VanDerWaalsContact O-CG 3.26Å; S1723-R1727 WeakPolarHBondContact O-CG 3.37Å; S1723-R1727 PolarHBondContact O-N 3.48Å; S1723-R1727 VanDerWaalsContact O-N 3.11Å; Q1724-R1727 CarbonylContact O-C 3.51Å; Q1724-R1727 PolarHBondContact O-N 2.91Å; R1727-R1731 VanDerWaalsContact O-CB 3.29Å; R1727-R1731 WeakPolarHBondContact O-CB 3.5Å; R1727-R1731 VanDerWaalsContact O-CG 3.29Å; R1727-R1731 WeakPolarHBondContact O-CG 3.14Å; R1727-R1731 PolarHBondContact O-N 2.88Å |
| 1728 | E | 56.7 | Low | 52.3 | Low | 127 Ų | 127 | 112 Ų | 112 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.6 | -43.9 | 173 | -80.9 | -177.7 | 158.2 | 0 | 0 | 111 | Q1724 R1725 V1730 R1731 E1732 | Q1724-E1728 WeakPolarHBondContact O-CB 3.4Å; Q1724-E1728 WeakPolarHBondContact O-CG 3.22Å; Q1724-E1728 PolarHBondContact O-N 3.41Å; R1725-E1728 PolarHBondContact O-N 3.47Å; E1728-V1730 PolarHBondContact O-N 3.37Å; E1728-R1731 CarbonylContact O-C 3.52Å; E1728-R1731 WeakPolarHBondContact O-CA 3.41Å; E1728-R1731 WeakPolarHBondContact O-CB 3.33Å; E1728-R1731 PolarHBondContact O-N 2.88Å; E1728-R1731 VanDerWaalsContact O-N 3.1Å; E1728-E1732 WeakPolarHBondContact O-CB 3.41Å; E1728-E1732 PolarHBondContact O-N 3.23Å |
| 1729 | A | 51.7 | Low | 53.7 | Low | 48 Ų | 48 | 113.4 Ų | 113.4 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1725 R1731 E1732 V1733 | R1725-A1729 WeakPolarHBondContact O-CB 3.33Å; R1725-A1729 PolarHBondContact O-N 3.18Å; A1729-R1731 VanDerWaalsContact C-N 3.34Å; A1729-E1732 PolarHBondContact O-N 3.27Å; A1729-V1733 WeakPolarHBondContact O-CB 3.19Å; A1729-V1733 VanDerWaalsContact O-CG2 3.24Å; A1729-V1733 WeakPolarHBondContact O-CG2 3.49Å; A1729-V1733 PolarHBondContact O-N 3.24Å |
| 1730 | V | 62.2 | Low | 54.9 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -34.8 | 172.8 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | E1726 E1728 A1734 | E1726-V1730 VanDerWaalsContact O-CB 3.29Å; E1726-V1730 WeakPolarHBondContact O-CB 3.41Å; E1726-V1730 WeakPolarHBondContact O-CG2 3.43Å; E1726-V1730 PolarHBondContact O-N 3.47Å; E1728-V1730 PolarHBondContact O-N 3.37Å; V1730-A1734 WeakPolarHBondContact O-CB 3.39Å; V1730-A1734 PolarHBondContact O-N 2.84Å |
| 1731 | R | 61.7 | Low | 56 | Low | 188 Ų | 188 | 115.8 Ų | 115.8 | 71% | 0.709 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.9 | -31.1 | 173 | -83.3 | 177.4 | 177.8 | 178.6 | 0.6 | 112.9 | R1727 E1728 A1729 R1735 | R1727-R1731 VanDerWaalsContact O-CB 3.29Å; R1727-R1731 WeakPolarHBondContact O-CB 3.5Å; R1727-R1731 VanDerWaalsContact O-CG 3.29Å; R1727-R1731 WeakPolarHBondContact O-CG 3.14Å; R1727-R1731 PolarHBondContact O-N 2.88Å; E1728-R1731 CarbonylContact O-C 3.52Å; E1728-R1731 WeakPolarHBondContact O-CA 3.41Å; E1728-R1731 WeakPolarHBondContact O-CB 3.33Å; E1728-R1731 PolarHBondContact O-N 2.88Å; E1728-R1731 VanDerWaalsContact O-N 3.1Å; A1729-R1731 VanDerWaalsContact C-N 3.34Å; R1731-R1735 VanDerWaalsContact O-CB 3.32Å; R1731-R1735 WeakPolarHBondContact O-CB 3.39Å; R1731-R1735 PolarHBondContact O-N 3.48Å |
| 1732 | E | 60.2 | Low | 57.1 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.8 | -46.1 | 176.4 | -138.3 | 175.8 | -168.1 | 0 | 0 | 109.8 | E1728 A1729 A1734 R1735 E1736 | E1728-E1732 WeakPolarHBondContact O-CB 3.41Å; E1728-E1732 PolarHBondContact O-N 3.23Å; A1729-E1732 PolarHBondContact O-N 3.27Å; E1732-A1734 VanDerWaalsContact C-N 3.32Å; E1732-A1734 PolarHBondContact O-N 3.04Å; E1732-R1735 CarbonylContact O-C 3.5Å; E1732-R1735 PolarHBondContact O-N 3.18Å; E1732-R1735 VanDerWaalsContact O-N 3.1Å; E1732-E1736 WeakPolarHBondContact O-CB 3.29Å; E1732-E1736 PolarHBondContact O-N 2.88Å |
| 1733 | V | 66 | Low | 58.5 | Low | 78 Ų | 78 | 118.7 Ų | 118.7 | 47% | 0.473 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.8 | -37.2 | 171 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A1729 N1737 | A1729-V1733 WeakPolarHBondContact O-CB 3.19Å; A1729-V1733 VanDerWaalsContact O-CG2 3.24Å; A1729-V1733 WeakPolarHBondContact O-CG2 3.49Å; A1729-V1733 PolarHBondContact O-N 3.24Å; V1733-N1737 VanDerWaalsContact O-CB 3.28Å; V1733-N1737 WeakPolarHBondContact O-CB 3.48Å; V1733-N1737 PolarHBondContact O-N 3.47Å; V1733-N1737 PolarHBondContact O-ND2 3.44Å |
| 1734 | A | 65.1 | Low | 59.9 | Low | 54 Ų | 54 | 120.3 Ų | 120.3 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1730 E1732 L1738 | V1730-A1734 WeakPolarHBondContact O-CB 3.39Å; V1730-A1734 PolarHBondContact O-N 2.84Å; E1732-A1734 VanDerWaalsContact C-N 3.32Å; E1732-A1734 PolarHBondContact O-N 3.04Å; A1734-L1738 VanDerWaalsContact O-CB 3.25Å; A1734-L1738 WeakPolarHBondContact O-CB 3.2Å; A1734-L1738 PolarHBondContact O-N 2.99Å |
| 1735 | R | 62.8 | Low | 60.7 | Low | 195 Ų | 195 | 121 Ų | 121 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.1 | -40.8 | 174 | -92.3 | -176.9 | 173.2 | 177.8 | -0.6 | 111.9 | R1731 E1732 L1738 L1739 | R1731-R1735 VanDerWaalsContact O-CB 3.32Å; R1731-R1735 WeakPolarHBondContact O-CB 3.39Å; R1731-R1735 PolarHBondContact O-N 3.48Å; E1732-R1735 CarbonylContact O-C 3.5Å; E1732-R1735 PolarHBondContact O-N 3.18Å; E1732-R1735 VanDerWaalsContact O-N 3.1Å; R1735-L1738 PolarHBondContact O-N 2.95Å; R1735-L1739 WeakPolarHBondContact O-CB 3.2Å; R1735-L1739 PolarHBondContact O-N 3.41Å |
| 1736 | E | 59.1 | Low | 61.7 | Low | 130 Ų | 130 | 119.9 Ų | 119.9 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64 | -45.8 | 174.2 | -81 | -169.9 | 148 | 0 | 0 | 110.6 | E1732 L1738 L1739 Q1740 | E1732-E1736 WeakPolarHBondContact O-CB 3.29Å; E1732-E1736 PolarHBondContact O-N 2.88Å; E1736-L1738 VanDerWaalsContact C-N 3.29Å; E1736-L1738 PolarHBondContact O-N 3.25Å; E1736-L1739 CarbonylContact O-C 3.51Å; E1736-L1739 PolarHBondContact O-N 3.43Å; E1736-Q1740 VanDerWaalsContact O-CB 3.31Å; E1736-Q1740 WeakPolarHBondContact O-CB 3.41Å; E1736-Q1740 PolarHBondContact O-N 3.2Å |
| 1737 | N | 63.5 | Low | 62.1 | Low | 86 Ų | 86 | 119.4 Ų | 119.4 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -38.1 | 173.4 | -81.7 | -28.3 | 0 | 0 | 0 | 112.1 | V1733 Q1740 E1741 | V1733-N1737 VanDerWaalsContact O-CB 3.28Å; V1733-N1737 WeakPolarHBondContact O-CB 3.48Å; V1733-N1737 PolarHBondContact O-N 3.47Å; V1733-N1737 PolarHBondContact O-ND2 3.44Å; N1737-Q1740 PolarHBondContact O-N 2.61Å; N1737-E1741 WeakPolarHBondContact O-CB 3.49Å; N1737-E1741 WeakPolarHBondContact O-CG 2.97Å; N1737-E1741 PolarHBondContact O-N 3.46Å |
| 1738 | L | 68 | Low | 62.5 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.9 | -28.7 | 178.2 | -152.4 | 134.7 | 0 | 0 | 0 | 112.5 | A1734 R1735 E1736 R1742 | A1734-L1738 VanDerWaalsContact O-CB 3.25Å; A1734-L1738 WeakPolarHBondContact O-CB 3.2Å; A1734-L1738 PolarHBondContact O-N 2.99Å; R1735-L1738 PolarHBondContact O-N 2.95Å; E1736-L1738 VanDerWaalsContact C-N 3.29Å; E1736-L1738 PolarHBondContact O-N 3.25Å; L1738-R1742 WeakPolarHBondContact O-CB 3.43Å; L1738-R1742 PolarHBondContact O-N 3.22Å |
| 1739 | L | 64.8 | Low | 62.4 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.3 | -38 | 169.6 | -111.5 | 146.8 | 0 | 0 | 0 | 111.4 | R1735 E1736 R1742 L1743 | R1735-L1739 WeakPolarHBondContact O-CB 3.2Å; R1735-L1739 PolarHBondContact O-N 3.41Å; E1736-L1739 CarbonylContact O-C 3.51Å; E1736-L1739 PolarHBondContact O-N 3.43Å; L1739-R1742 PolarHBondContact O-N 3.32Å; L1739-L1743 VanDerWaalsContact O-CB 3.31Å; L1739-L1743 WeakPolarHBondContact O-CB 3.32Å; L1739-L1743 WeakPolarHBondContact O-CG 3.41Å; L1739-L1743 PolarHBondContact O-N 3.06Å |
| 1740 | Q | 62.3 | Low | 62.3 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -38.4 | 176.3 | -144.9 | 176.6 | 14 | 0 | 0 | 111 | E1736 N1737 L1743 Q1744 | E1736-Q1740 VanDerWaalsContact O-CB 3.31Å; E1736-Q1740 WeakPolarHBondContact O-CB 3.41Å; E1736-Q1740 PolarHBondContact O-N 3.2Å; N1737-Q1740 PolarHBondContact O-N 2.61Å; Q1740-L1743 PolarHBondContact O-N 3.11Å; Q1740-Q1744 WeakPolarHBondContact O-CB 3.44Å; Q1740-Q1744 WeakPolarHBondContact O-CG 3.35Å; Q1740-Q1744 PolarHBondContact O-N 3.34Å |
| 1741 | E | 64.6 | Low | 61.7 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -42.6 | 169.5 | -81.4 | -174.5 | 159.6 | 0 | 0 | 111.6 | N1737 Q1744 Q1745 | N1737-E1741 WeakPolarHBondContact O-CB 3.49Å; N1737-E1741 WeakPolarHBondContact O-CG 2.97Å; N1737-E1741 PolarHBondContact O-N 3.46Å; E1741-Q1744 PolarHBondContact O-N 2.98Å; E1741-Q1745 WeakPolarHBondContact O-CB 3.49Å; E1741-Q1745 PolarHBondContact O-N 2.99Å |
| 1742 | R | 65.2 | Low | 61 | Low | 169 Ų | 169 | 118 Ų | 118 | 64% | 0.638 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -38.8 | 173.3 | -90.9 | -174.4 | -178.7 | 176.3 | 1.7 | 112.8 | L1738 L1739 Q1745 M1746 | L1738-R1742 WeakPolarHBondContact O-CB 3.43Å; L1738-R1742 PolarHBondContact O-N 3.22Å; L1739-R1742 PolarHBondContact O-N 3.32Å; R1742-Q1745 PolarHBondContact O-N 2.87Å; R1742-M1746 WeakPolarHBondContact O-CB 3.35Å; R1742-M1746 WeakPolarHBondContact O-CG 3.49Å; R1742-M1746 PolarHBondContact O-N 2.86Å |
| 1743 | L | 67.4 | Low | 60.2 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.2 | -43.1 | 175.7 | -84.5 | 161.6 | 0 | 0 | 0 | 110.9 | L1739 Q1740 Q1745 M1746 E1747 | L1739-L1743 VanDerWaalsContact O-CB 3.31Å; L1739-L1743 WeakPolarHBondContact O-CB 3.32Å; L1739-L1743 WeakPolarHBondContact O-CG 3.41Å; L1739-L1743 PolarHBondContact O-N 3.06Å; Q1740-L1743 PolarHBondContact O-N 3.11Å; L1743-Q1745 VanDerWaalsContact C-N 3.3Å; L1743-Q1745 PolarHBondContact O-N 3.12Å; L1743-M1746 PolarHBondContact O-N 3.13Å; L1743-E1747 WeakPolarHBondContact O-CB 3.42Å; L1743-E1747 PolarHBondContact O-N 2.63Å |
| 1744 | Q | 66.5 | Low | 59 | Low | 94 Ų | 94 | 118 Ų | 118 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.9 | -32 | 173.1 | -76.4 | -176.9 | 10.3 | 0 | 0 | 112.6 | Q1740 E1741 R1748 | Q1740-Q1744 WeakPolarHBondContact O-CB 3.44Å; Q1740-Q1744 WeakPolarHBondContact O-CG 3.35Å; Q1740-Q1744 PolarHBondContact O-N 3.34Å; E1741-Q1744 PolarHBondContact O-N 2.98Å; Q1744-R1748 WeakPolarHBondContact O-CB 3.46Å; Q1744-R1748 VanDerWaalsContact O-CG 3.25Å; Q1744-R1748 WeakPolarHBondContact O-CG 3.44Å; Q1744-R1748 PolarHBondContact O-N 3.34Å |
| 1745 | Q | 66.4 | Low | 57.8 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.3 | -40.1 | 175.9 | -162.2 | 162.5 | 10.2 | 0 | 0 | 111.3 | E1741 R1742 L1743 R1748 D1749 | E1741-Q1745 WeakPolarHBondContact O-CB 3.49Å; E1741-Q1745 PolarHBondContact O-N 2.99Å; R1742-Q1745 PolarHBondContact O-N 2.87Å; L1743-Q1745 VanDerWaalsContact C-N 3.3Å; L1743-Q1745 PolarHBondContact O-N 3.12Å; Q1745-R1748 PolarHBondContact O-N 3.43Å; Q1745-D1749 WeakPolarHBondContact O-CB 3.48Å; Q1745-D1749 VanDerWaalsContact O-CG 3.27Å; Q1745-D1749 PolarHBondContact O-N 2.91Å |
| 1746 | M | 65.9 | Low | 56.6 | Low | 131 Ų | 131 | 121.4 Ų | 121.4 | 65% | 0.645 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.7 | -38.4 | 168.8 | -80 | 179.5 | 58.9 | 0 | 0 | 112 | R1742 L1743 D1749 M1750 | R1742-M1746 WeakPolarHBondContact O-CB 3.35Å; R1742-M1746 WeakPolarHBondContact O-CG 3.49Å; R1742-M1746 PolarHBondContact O-N 2.86Å; L1743-M1746 PolarHBondContact O-N 3.13Å; M1746-D1749 PolarHBondContact O-N 3.46Å; M1746-M1750 WeakPolarHBondContact O-CB 3.48Å; M1746-M1750 PolarHBondContact O-N 2.97Å |
| 1747 | E | 54.2 | Low | 55.7 | Low | 125 Ų | 125 | 123.3 Ų | 123.3 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -42.3 | 173.6 | -122.3 | -179.1 | 168.1 | 0 | 0 | 111 | L1743 M1750 V1751 | L1743-E1747 WeakPolarHBondContact O-CB 3.42Å; L1743-E1747 PolarHBondContact O-N 2.63Å; E1747-M1750 PolarHBondContact O-N 3.38Å; E1747-V1751 VanDerWaalsContact O-CB 3.28Å; E1747-V1751 WeakPolarHBondContact O-CB 3.15Å; E1747-V1751 WeakPolarHBondContact O-CG2 3.35Å; E1747-V1751 PolarHBondContact O-N 2.9Å |
| 1748 | R | 57.9 | Low | 54.3 | Low | 176 Ų | 176 | 127.5 Ų | 127.5 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -36.6 | 175.6 | -78.1 | 174.5 | -179.6 | 171.1 | 4.4 | 112.8 | Q1744 Q1745 R1752 | Q1744-R1748 WeakPolarHBondContact O-CB 3.46Å; Q1744-R1748 VanDerWaalsContact O-CG 3.25Å; Q1744-R1748 WeakPolarHBondContact O-CG 3.44Å; Q1744-R1748 PolarHBondContact O-N 3.34Å; Q1745-R1748 PolarHBondContact O-N 3.43Å; R1748-R1752 WeakPolarHBondContact O-CB 3.44Å; R1748-R1752 PolarHBondContact O-N 3.4Å |
| 1749 | D | 54.9 | Low | 52.7 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 41% | 0.406 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.1 | -37.4 | 177.6 | -72.2 | -21.6 | 0 | 0 | 0 | 111.1 | Q1745 M1746 R1752 D1753 | Q1745-D1749 WeakPolarHBondContact O-CB 3.48Å; Q1745-D1749 VanDerWaalsContact O-CG 3.27Å; Q1745-D1749 PolarHBondContact O-N 2.91Å; M1746-D1749 PolarHBondContact O-N 3.46Å; D1749-R1752 CarbonylContact O-C 3.58Å; D1749-R1752 WeakPolarHBondContact O-CB 3.26Å; D1749-R1752 PolarHBondContact O-N 3.45Å; D1749-D1753 PolarHBondContact O-N 3.12Å |
| 1750 | M | 49.6 | Very low | 51.1 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.7 | -36 | 173.5 | -161.1 | 174.9 | 68.6 | 0 | 0 | 111.7 | M1746 E1747 D1753 L1754 | M1746-M1750 WeakPolarHBondContact O-CB 3.48Å; M1746-M1750 PolarHBondContact O-N 2.97Å; E1747-M1750 PolarHBondContact O-N 3.38Å; M1750-D1753 PolarHBondContact O-N 3Å; M1750-L1754 HydrophobicContact CG-CD1 4.35Å; M1750-L1754 VanDerWaalsContact O-CB 3.3Å; M1750-L1754 WeakPolarHBondContact O-CB 3.42Å; M1750-L1754 WeakPolarHBondContact O-CD1 3.43Å; M1750-L1754 WeakPolarHBondContact O-CG 3.33Å; M1750-L1754 PolarHBondContact O-N 2.96Å |
| 1751 | V | 50 | Low | 49.8 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.9 | -32 | 170.8 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | E1747 Q1755 | E1747-V1751 VanDerWaalsContact O-CB 3.28Å; E1747-V1751 WeakPolarHBondContact O-CB 3.15Å; E1747-V1751 WeakPolarHBondContact O-CG2 3.35Å; E1747-V1751 PolarHBondContact O-N 2.9Å; V1751-Q1755 WeakPolarHBondContact O-CB 3.47Å; V1751-Q1755 WeakPolarHBondContact O-CG 3.44Å; V1751-Q1755 PolarHBondContact O-N 3.43Å; V1751-Q1755 VanDerWaalsContact O-N 3.09Å |
| 1752 | R | 46.4 | Very low | 48.1 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.6 | -34.7 | 173 | -94.5 | 179 | 167.4 | 175.1 | -2.3 | 113.3 | R1748 D1749 K1756 | R1748-R1752 WeakPolarHBondContact O-CB 3.44Å; R1748-R1752 PolarHBondContact O-N 3.4Å; D1749-R1752 CarbonylContact O-C 3.58Å; D1749-R1752 WeakPolarHBondContact O-CB 3.26Å; D1749-R1752 PolarHBondContact O-N 3.45Å; R1752-K1756 PolarHBondContact O-N 3.26Å |
| 1753 | D | 43.2 | Very low | 46.4 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -77.8 | -35.9 | 176.3 | -77.5 | -14.5 | 0 | 0 | 0 | 111.4 | D1749 M1750 Q1755 K1756 | D1749-D1753 PolarHBondContact O-N 3.12Å; M1750-D1753 PolarHBondContact O-N 3Å; D1753-Q1755 VanDerWaalsContact C-N 3.26Å; D1753-Q1755 PolarHBondContact O-N 3.29Å; D1753-K1756 PolarHBondContact O-N 3.34Å; D1753-K1756 VanDerWaalsContact O-N 3.08Å |
| 1754 | L | 41 | Very low | 45.3 | Very low | 109 Ų | 109 | 132 Ų | 132 | 57% | 0.571 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.2 | -23.5 | 170.6 | -79.9 | 161.1 | 0 | 0 | 0 | 113.7 | M1750 | M1750-L1754 HydrophobicContact CG-CD1 4.35Å; M1750-L1754 VanDerWaalsContact O-CB 3.3Å; M1750-L1754 WeakPolarHBondContact O-CB 3.42Å; M1750-L1754 WeakPolarHBondContact O-CD1 3.43Å; M1750-L1754 WeakPolarHBondContact O-CG 3.33Å; M1750-L1754 PolarHBondContact O-N 2.96Å |
| 1755 | Q | 39.4 | Very low | 44.2 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -9.2 | 172 | -80.2 | -176.1 | -16 | 0 | 0 | 113.9 | V1751 D1753 | V1751-Q1755 WeakPolarHBondContact O-CB 3.47Å; V1751-Q1755 WeakPolarHBondContact O-CG 3.44Å; V1751-Q1755 PolarHBondContact O-N 3.43Å; V1751-Q1755 VanDerWaalsContact O-N 3.09Å; D1753-Q1755 VanDerWaalsContact C-N 3.26Å; D1753-Q1755 PolarHBondContact O-N 3.29Å |
| 1756 | K | 39 | Very low | 43 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -9.8 | 175.3 | -78 | 176.7 | -179.5 | 170.7 | 0 | 114.3 | R1752 D1753 | R1752-K1756 PolarHBondContact O-N 3.26Å; D1753-K1756 PolarHBondContact O-N 3.34Å; D1753-K1756 VanDerWaalsContact O-N 3.08Å |
| 1757 | E | 40.2 | Very low | 41.6 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -102.6 | 8.4 | 179.2 | -80.3 | -167.9 | 152.7 | 0 | 0 | 115.3 | ||
| 1758 | K | 33.1 | Very low | 40.8 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -111 | 109.5 | 171.8 | -77 | -175.5 | 176.7 | 177.7 | 0 | 111.7 | ||
| 1759 | T | 34.4 | Very low | 39.7 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 82.6 | 124.8 | 167.6 | 57.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1760 | P | 32.4 | Very low | 38.6 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | S | Bend | -137 | 151.1 | 54.8 | 37.3 | -20.2 | 0 | 0 | 0 | 117.6 | |||
| 1761 | G | 34 | Very low | 37.8 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 124.9 | 105.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1762 | G | 29.9 | Very low | 36.8 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -85.4 | 146.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1763 | D | 28 | Very low | 35.9 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 100% | 1.321 | 80% | 0.799 | S | S | * | * | trans | -158.2 | 0 | 137.9 | -103.5 | -16.2 | 0 | 0 | 0 | 107.9 |
Retrieved 1,763 of 1,763 residues in 4977.5 ms
(Link to these results)