| 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 | 58.1 | Low | 81.8 | Confident | 149 Ų | 149 | 63.8 Ų | 63.8 | 73% | 0.734 | 39% | 0.386 | S | S | * | . | 0 | 127.6 | 0 | -76.5 | 180 | -171.6 | 0 | 0 | 107.4 | F584 D597 | M1-F584 HydrophobicContact CE-CD2 3.58Å; M1-F584 HydrophobicContact CE-CE2 3.39Å; M1-F584 HydrophobicContact CE-CZ 4.46Å; M1-F584 HydrophobicContact SD-CD2 4.3Å; M1-F584 HydrophobicContact SD-CE2 3.85Å; M1-F584 HydrophobicContact SD-CZ 4.42Å; M1-D597 HydrophobicContact CE-CB 3.48Å; M1-D597 VanDerWaalsContact CE-CB 3.48Å; M1-D597 VanDerWaalsContact CE-CG 3.48Å; M1-D597 WeakPolarHBondContact CE-OD2 3.39Å | |||
| 2 | A | 60.7 | Low | 81.8 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | trans | -61.8 | 144.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | S | 76 | Confident | 81.3 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 79% | 0.79 | 35% | 0.35 | S | S | * | . | trans | -68.6 | 132.2 | 166.7 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | F | 83.2 | Confident | 81 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | trans | -127.7 | 156.4 | 174.7 | 57.7 | -93.9 | 0 | 0 | 0 | 109.7 | V6 F584 G625 L627 | F4-V6 HydrophobicContact CD2-CG2 4.28Å; F4-V6 HydrophobicContact CE2-CG2 4Å; F4-F584 HydrophobicContact CE1-CD1 4.49Å; F4-F584 AromaticContact CE1-CE1 3.54Å; F4-F584 HydrophobicContact CE1-CE1 3.54Å; F4-F584 AromaticContact CE1-CZ 3.82Å; F4-F584 HydrophobicContact CE1-CZ 3.82Å; F4-F584 AromaticContact CZ-CE1 3.61Å; F4-F584 HydrophobicContact CZ-CE1 3.61Å; F4-F584 AromaticContact CZ-CZ 3.79Å; F4-F584 HydrophobicContact CZ-CZ 3.79Å; F4-G625 WeakPolarHBondContact CB-O 3.33Å; F4-L627 HydrophobicContact CD2-CB 3.93Å; F4-L627 HydrophobicContact CE2-CB 3.66Å; F4-L627 HydrophobicContact CE2-CD2 4.11Å | ||
| 5 | N | 88.1 | Confident | 81.1 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | trans | -81.6 | 148.8 | 179.2 | -54.4 | -59.7 | 0 | 0 | 0 | 110.5 | D626 L627 | N5-D626 WeakPolarHBondContact CB-OD1 3.3Å; N5-D626 PolarHBondContact N-OD1 2.69Å; N5-D626 PolarHBondContact ND2-OD1 3.44Å; N5-L627 PolarHBondContact O-N 2.84Å | ||
| 6 | V | 91.2 | Very high | 81.5 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.3 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | F4 V8 W613 L627 L629 | F4-V6 HydrophobicContact CD2-CG2 4.28Å; F4-V6 HydrophobicContact CE2-CG2 4Å; V6-V8 HydrophobicContact CG1-CG2 4.02Å; V6-W613 HydrophobicContact CB-CH2 4.2Å; V6-W613 HydrophobicContact CB-CZ2 4.12Å; V6-W613 HydrophobicContact CG1-CH2 4.06Å; V6-W613 HydrophobicContact CG1-CZ2 3.9Å; V6-W613 HydrophobicContact CG2-CH2 3.85Å; V6-W613 HydrophobicContact CG2-CZ2 4.27Å; V6-L627 CarbonylContact C-O 3.55Å; V6-L627 WeakPolarHBondContact CA-O 3.38Å; V6-L627 HydrophobicContact CG1-CD2 4.36Å; V6-L627 HydrophobicContact CG1-CG 4.47Å; V6-L627 HydrophobicContact CG2-CB 4.39Å; V6-L627 HydrophobicContact CG2-CD2 4.42Å; V6-L629 HydrophobicContact CG1-CD1 3.59Å; V6-L629 HydrophobicContact CG1-CG 3.89Å |
| 7 | H | 92.2 | Very high | 82 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 106.8 | 175.7 | -62.5 | -94 | 0 | 0 | 0 | 109 | L344 D626 L627 F628 L629 | H7-L344 HydrophobicContact CB-CD1 4.42Å; H7-D626 IonicContact NE2-OD2 3.74Å; H7-D626 PolarHBondContact NE2-OD2 2.77Å; H7-L627 PolarHBondContact N-O 3.22Å; H7-F628 HydrophobicContact CB-CD2 4.25Å; H7-L629 PolarHBondContact O-N 3.14Å |
| 8 | V | 91.2 | Very high | 82.6 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114.3 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | V6 L629 R631 | V6-V8 HydrophobicContact CG1-CG2 4.02Å; V8-L629 WeakPolarHBondContact CA-O 3.27Å; V8-L629 HydrophobicContact CG2-CB 4.49Å; V8-R631 HydrophobicContact CG1-CB 4.29Å |
| 9 | F | 90.7 | Very high | 83.3 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.6 | 178.6 | -167.4 | -89.1 | 0 | 0 | 0 | 110.4 | F333 W342 P365 F628 L629 C630 R631 | F9-F333 HydrophobicContact CD1-CE1 4.39Å; F9-F333 HydrophobicContact CD1-CE2 4.07Å; F9-F333 AromaticContact CD1-CZ 3.52Å; F9-F333 HydrophobicContact CD1-CZ 3.52Å; F9-F333 HydrophobicContact CE1-CE1 4.49Å; F9-F333 AromaticContact CE1-CE2 3.61Å; F9-F333 HydrophobicContact CE1-CE2 3.61Å; F9-F333 AromaticContact CE1-CZ 3.53Å; F9-F333 HydrophobicContact CE1-CZ 3.53Å; F9-F333 HydrophobicContact CG-CZ 4.24Å; F9-F333 AromaticContact CZ-CE2 3.97Å; F9-F333 HydrophobicContact CZ-CE2 3.97Å; F9-F333 HydrophobicContact CZ-CZ 4.27Å; F9-W342 HydrophobicContact CE2-CD2 4.2Å; F9-W342 AromaticContact CE2-CE3 3.81Å; F9-W342 HydrophobicContact CE2-CE3 3.81Å; F9-W342 HydrophobicContact CE2-CZ3 4.27Å; F9-W342 AromaticContact CZ-CD2 3.82Å; F9-W342 HydrophobicContact CZ-CD2 3.82Å; F9-W342 AromaticContact CZ-CE3 3.75Å; F9-W342 HydrophobicContact CZ-CE3 3.75Å; F9-W342 HydrophobicContact CZ-CG 4.36Å; F9-W342 HydrophobicContact CZ-CH2 4.4Å; F9-W342 HydrophobicContact CZ-CZ2 4.47Å; F9-W342 HydrophobicContact CZ-CZ3 4.05Å; F9-P365 HydrophobicContact CD2-CB 4.45Å; F9-P365 HydrophobicContact CE2-CB 4.09Å; F9-P365 HydrophobicContact CE2-CG 4.3Å; F9-F628 HydrophobicContact CB-CE2 3.49Å; F9-F628 VanDerWaalsContact CB-CE2 3.49Å; F9-F628 HydrophobicContact CB-CZ 3.83Å; F9-F628 HydrophobicContact CG-CE2 4.23Å; F9-F628 HydrophobicContact CG-CZ 4.44Å; F9-L629 PolarHBondContact N-O 3.33Å; F9-C630 WeakPolarHBondContact O-CA 3.4Å; F9-R631 PolarHBondContact O-N 3.18Å |
| 10 | S | 86.5 | Confident | 83.9 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | trans | -115.8 | -4.4 | -177.7 | 64.4 | 0 | 0 | 0 | 0 | 115.8 | Y12 R631 E633 N636 | S10-Y12 VanDerWaalsContact C-N 3.3Å; S10-Y12 PolarHBondContact O-N 3.29Å; S10-R631 VanDerWaalsContact CA-O 3.29Å; S10-R631 WeakPolarHBondContact CA-O 3.34Å; S10-E633 VanDerWaalsContact CB-OE1 3.24Å; S10-E633 WeakPolarHBondContact CB-OE1 3.5Å; S10-E633 PolarHBondContact OG-OE1 3.46Å; S10-N636 PolarHBondContact O-ND2 2.84Å | ||
| 11 | S | 82 | Confident | 84.4 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 57% | 0.573 | 29% | 0.286 | S | S | * | . | trans | -76.4 | -15.5 | -177.2 | -51.4 | 0 | 0 | 0 | 0 | 113.9 | A13 | S11-A13 PolarHBondContact O-N 2.98Š| ||
| 12 | Y | 81.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | trans | -78.3 | 117.7 | 176.7 | 178.6 | -108.2 | 0 | 0 | 0 | 110.6 | S10 P14 F333 Q334 H335 | S10-Y12 VanDerWaalsContact C-N 3.3Å; S10-Y12 PolarHBondContact O-N 3.29Å; Y12-P14 HydrophobicContact CD1-CG 4.36Å; Y12-P14 HydrophobicContact CE1-CG 3.74Å; Y12-F333 AromaticContact CD1-CD1 3.9Å; Y12-F333 HydrophobicContact CD1-CD1 3.9Å; Y12-F333 HydrophobicContact CD1-CE1 4.1Å; Y12-F333 HydrophobicContact CD2-CB 3.78Å; Y12-F333 AromaticContact CD2-CD1 3.44Å; Y12-F333 HydrophobicContact CD2-CD1 3.44Å; Y12-F333 VanDerWaalsContact CD2-CD1 3.44Å; Y12-F333 HydrophobicContact CD2-CD2 4.41Å; Y12-F333 HydrophobicContact CD2-CE1 4.12Å; Y12-F333 AromaticContact CD2-CG 3.62Å; Y12-F333 HydrophobicContact CD2-CG 3.62Å; Y12-F333 HydrophobicContact CE1-CD1 4.2Å; Y12-F333 HydrophobicContact CE2-CB 3.65Å; Y12-F333 AromaticContact CE2-CD1 3.8Å; Y12-F333 HydrophobicContact CE2-CD1 3.8Å; Y12-F333 AromaticContact CE2-CG 3.96Å; Y12-F333 HydrophobicContact CE2-CG 3.96Å; Y12-F333 AromaticContact CG-CD1 3.5Å; Y12-F333 HydrophobicContact CG-CD1 3.5Å; Y12-F333 VanDerWaalsContact CG-CD1 3.5Å; Y12-F333 AromaticContact CG-CE1 3.73Å; Y12-F333 HydrophobicContact CG-CE1 3.73Å; Y12-F333 HydrophobicContact CG-CG 4.12Å; Y12-Q334 PolarHBondContact OH-O 3.28Å; Y12-Q334 VanDerWaalsContact OH-O 3.12Å; Y12-H335 AromaticContact CD2-CE1 4Å; Y12-H335 AromaticContact CE2-CE1 3.55Å | ||
| 13 | A | 76 | Confident | 87.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 24% | 0.24 | 24% | 0.235 | C | C | . | . | trans | -120.1 | 117.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S11 N636 | S11-A13 PolarHBondContact O-N 2.98Å; A13-N636 HydrophobicContact CB-CB 3.91Å | ||
| 14 | P | 76.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 138 | 173.3 | -17.6 | 30.1 | 0 | 0 | 0 | 110.4 | Y12 F317 I632 | Y12-P14 HydrophobicContact CD1-CG 4.36Å; Y12-P14 HydrophobicContact CE1-CG 3.74Å; P14-F317 HydrophobicContact CB-CD1 3.65Å; P14-F317 HydrophobicContact CB-CE1 3.59Å; P14-F317 HydrophobicContact CG-CD1 3.49Å; P14-F317 VanDerWaalsContact CG-CD1 3.49Å; P14-F317 HydrophobicContact CG-CE1 3.56Å; P14-F317 HydrophobicContact CG-CG 4.31Å; P14-F317 HydrophobicContact CG-CZ 4.39Å; P14-I632 VanDerWaalsContact CD-CD1 3.46Å; P14-I632 HydrophobicContact CG-CD1 3.55Å; P14-I632 HydrophobicContact CG-CG1 4.47Å |
| 15 | E | 82.5 | Confident | 89.2 | Confident | 115 Ų | 115 | 34.1 Ų | 34.1 | 54% | 0.537 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 125.6 | -179.3 | -64.7 | 176.9 | 166.8 | 0 | 0 | 111 | E17 | E15-E17 PolarHBondContact O-N 2.92Š|
| 16 | P | 87.2 | Confident | 89 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 121.3 | 174.2 | 26.1 | -31.6 | 0 | 0 | 0 | 110.5 | Y637 A640 L641 | P16-Y637 HydrophobicContact CB-CE1 4.32Å; P16-Y637 HydrophobicContact CB-CE2 3.76Å; P16-Y637 WeakPolarHBondContact CB-OH 3.42Å; P16-Y637 HydrophobicContact CG-CE2 4.46Å; P16-A640 HydrophobicContact CG-CB 3.95Å; P16-L641 HydrophobicContact CB-CD2 3.4Å; P16-L641 VanDerWaalsContact CB-CD2 3.4Å; P16-L641 HydrophobicContact CB-CG 4.43Å; P16-L641 HydrophobicContact CG-CD2 3.69Å; P16-L641 HydrophobicContact CG-CG 4.33Å |
| 17 | E | 91.3 | Very high | 88.8 | Confident | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -103.7 | 124.1 | 173.6 | -64.1 | -177.5 | -96.7 | 0 | 0 | 110.3 | E15 I19 R35 K39 G298 K336 | E15-E17 PolarHBondContact O-N 2.92Å; E17-I19 PolarHBondContact O-N 3.3Å; E17-R35 HydrophobicContact CB-CB 3.97Å; E17-R35 PolarHBondContact O-NH1 2.9Å; E17-K39 VanDerWaalsContact OE1-CE 3.31Å; E17-K39 WeakPolarHBondContact OE1-CE 3.33Å; E17-K39 IonicContact OE1-NZ 2.93Å; E17-K39 PolarHBondContact OE1-NZ 3.04Å; E17-G298 WeakPolarHBondContact O-CA 3.34Å; E17-K336 IonicContact OE2-NZ 2.76Å; E17-K336 PolarHBondContact OE2-NZ 3.31Å |
| 18 | L | 92.7 | Very high | 88.4 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -48.5 | 127.3 | 174.8 | 171.5 | 61.8 | 0 | 0 | 0 | 110.5 | T20 R35 G36 E282 G295 Q296 | L18-T20 HydrophobicContact CD2-CG2 4.02Å; L18-T20 HydrophobicContact CG-CG2 4.05Å; L18-T20 PolarHBondContact O-N 2.77Å; L18-R35 CarbonylContact O-C 3.53Å; L18-R35 WeakPolarHBondContact O-CA 3.27Å; L18-G36 PolarHBondContact O-N 3.31Å; L18-E282 HydrophobicContact CD1-CG 3.68Å; L18-G295 VanDerWaalsContact CD1-C 3.47Å; L18-Q296 HydrophobicContact CD1-CB 4.19Å; L18-Q296 HydrophobicContact CD1-CG 3.56Å |
| 19 | I | 95.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 113.9 | 166.9 | -60.1 | 172.3 | 0 | 0 | 0 | 107.8 | E17 F22 V33 A34 R35 E282 G295 C299 L300 | E17-I19 PolarHBondContact O-N 3.3Å; I19-F22 HydrophobicContact CG2-CD1 3.92Å; I19-V33 HydrophobicContact CB-CG1 4.42Å; I19-V33 HydrophobicContact CD1-CG1 4.18Å; I19-V33 HydrophobicContact CG1-CG1 3.96Å; I19-V33 HydrophobicContact CG2-CG1 3.73Å; I19-A34 WeakPolarHBondContact CA-O 3.25Å; I19-R35 HydrophobicContact CG1-CG 4.22Å; I19-E282 WeakPolarHBondContact O-CB 3.47Å; I19-E282 WeakPolarHBondContact O-CG 3.46Å; I19-G295 PolarHBondContact N-O 3.43Å; I19-G295 VanDerWaalsContact N-O 3.15Å; I19-C299 WeakPolarHBondContact CD1-O 3.29Å; I19-L300 HydrophobicContact CD1-CD2 3.8Å; I19-L300 HydrophobicContact CD1-CG 4.07Å |
| 20 | T | 94.7 | Very high | 88.4 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -38 | 179.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | L18 A34 L64 | L18-T20 HydrophobicContact CD2-CG2 4.02Å; L18-T20 HydrophobicContact CG-CG2 4.05Å; L18-T20 PolarHBondContact O-N 2.77Å; T20-A34 PolarHBondContact N-O 2.76Å; T20-A34 WeakPolarHBondContact OG1-CB 3.44Å; T20-L64 HydrophobicContact CG2-CD2 3.99Å; T20-L64 PolarHBondContact OG1-O 2.83Å |
| 21 | S | 95 | Very high | 88.8 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160.7 | 172.9 | 65 | 0 | 0 | 0 | 0 | 110.2 | A34 L64 V65 T66 | S21-A34 PolarHBondContact O-N 3.07Å; S21-A34 VanDerWaalsContact OG-CB 3.28Å; S21-A34 WeakPolarHBondContact OG-CB 3.2Å; S21-L64 WeakPolarHBondContact CB-O 3.49Å; S21-L64 PolarHBondContact OG-O 2.85Å; S21-V65 VanDerWaalsContact OG-CA 3.32Å; S21-V65 WeakPolarHBondContact OG-CA 3.34Å; S21-T66 PolarHBondContact OG-N 2.84Å |
| 22 | F | 96.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.2 | 167.2 | 65.3 | -96.2 | 0 | 0 | 0 | 109.5 | I19 I31 A32 V33 Q283 A285 V292 L300 | I19-F22 HydrophobicContact CG2-CD1 3.92Å; F22-I31 HydrophobicContact CD2-CG2 4.41Å; F22-A32 CarbonylContact C-O 3.54Å; F22-A32 WeakPolarHBondContact CA-O 3.4Å; F22-A32 WeakPolarHBondContact CB-O 3.34Å; F22-V33 HydrophobicContact CB-CB 4.26Å; F22-V33 HydrophobicContact CB-CG1 4.27Å; F22-V33 HydrophobicContact CB-CG2 3.92Å; F22-Q283 HydrophobicContact CD1-CB 3.61Å; F22-Q283 HydrophobicContact CD1-CG 3.5Å; F22-Q283 HydrophobicContact CD2-CG 4.47Å; F22-Q283 HydrophobicContact CE1-CB 3.45Å; F22-Q283 VanDerWaalsContact CE1-CB 3.45Å; F22-Q283 HydrophobicContact CE1-CG 3.44Å; F22-Q283 VanDerWaalsContact CE1-CG 3.44Å; F22-Q283 VanDerWaalsContact CE1-O 3.3Å; F22-Q283 WeakPolarHBondContact CE1-O 3.45Å; F22-Q283 HydrophobicContact CE2-CG 4.41Å; F22-Q283 HydrophobicContact CG-CG 4.03Å; F22-Q283 HydrophobicContact CZ-CB 4.3Å; F22-Q283 HydrophobicContact CZ-CG 3.91Å; F22-A285 HydrophobicContact CD2-CB 4.4Å; F22-A285 HydrophobicContact CE2-CB 3.55Å; F22-A285 HydrophobicContact CZ-CB 4.23Å; F22-V292 HydrophobicContact CD2-CG1 4.37Å; F22-V292 HydrophobicContact CE2-CB 3.77Å; F22-V292 HydrophobicContact CE2-CG1 3.64Å; F22-V292 HydrophobicContact CZ-CB 3.95Å; F22-V292 HydrophobicContact CZ-CG1 3.81Å; F22-V292 WeakPolarHBondContact CZ-O 3.45Å; F22-L300 HydrophobicContact CD1-CD2 4.25Å; F22-L300 HydrophobicContact CG-CD2 4.32Å |
| 23 | E | 95.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.8 | 174.7 | -157.2 | -163.4 | 135.7 | 0 | 0 | 110.7 | I31 A32 F67 W68 K108 | E23-I31 WeakPolarHBondContact O-CA 3.47Å; E23-A32 PolarHBondContact N-O 3.24Å; E23-A32 PolarHBondContact O-N 2.93Å; E23-F67 WeakPolarHBondContact OE2-CA 3.29Å; E23-F67 WeakPolarHBondContact OE2-CB 3.26Å; E23-W68 PolarHBondContact O-NE1 3.42Å; E23-W68 PolarHBondContact OE2-N 3.37Å; E23-K108 VanDerWaalsContact CD-NZ 3.32Å; E23-K108 IonicContact OE1-NZ 3.4Å; E23-K108 PolarHBondContact OE1-NZ 3.32Å; E23-K108 IonicContact OE2-NZ 2.89Å; E23-K108 PolarHBondContact OE2-NZ 3.08Å |
| 24 | C | 93.3 | Very high | 91.2 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 128.7 | 170.5 | -63.6 | 0 | 0 | 0 | 0 | 108.9 | I31 A287 | C24-I31 HydrophobicContact CB-CG1 4.46Å; C24-A287 HydrophobicContact CB-CB 4.42Å |
| 25 | H | 93 | Very high | 92 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | trans | -66.4 | 136.7 | 175.1 | -173.5 | -65.6 | 0 | 0 | 0 | 109.9 | R27 L28 L30 W68 D71 | H25-R27 PolarHBondContact ND1-N 2.9Å; H25-R27 VanDerWaalsContact ND1-N 3.12Å; H25-R27 PolarHBondContact O-N 3.38Å; H25-L28 HydrophobicContact CB-CB 4.42Å; H25-L28 WeakPolarHBondContact CB-O 3.43Å; H25-L28 VanDerWaalsContact CE1-CG 3.47Å; H25-L28 WeakPolarHBondContact CE1-CG 3.36Å; H25-L28 PolarHBondContact CE1-N 3.44Å; H25-L28 WeakPolarHBondContact ND1-CB 3.41Å; H25-L28 PolarHBondContact ND1-N 2.75Å; H25-L30 HydrophobicContact CB-CB 3.85Å; H25-L30 VanDerWaalsContact CB-O 3.26Å; H25-L30 WeakPolarHBondContact CB-O 3.5Å; H25-L30 PolarHBondContact N-O 2.96Å; H25-W68 HydrophobicContact CB-CD2 4.28Å; H25-W68 HydrophobicContact CB-CG 4.27Å; H25-W68 AromaticContact CD2-CD2 3.55Å; H25-W68 AromaticContact CD2-CE3 3.56Å; H25-W68 AromaticContact CD2-CG 3.85Å; H25-D71 IonicContact CE1-OD1 2.74Å; H25-D71 PolarHBondContact CE1-OD1 3.35Å; H25-D71 WeakPolarHBondContact NE2-CA 3.33Å; H25-D71 IonicContact NE2-OD1 2.66Å; H25-D71 PolarHBondContact NE2-OD1 3.27Å | ||
| 26 | P | 85.4 | Confident | 92.3 | Very high | 103 Ų | 103 | 33.1 Ų | 33.1 | 67% | 0.669 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -67.4 | -33.4 | -171.5 | 23 | -34.8 | 0 | 0 | 0 | 114.7 | ||
| 27 | R | 85.9 | Confident | 92.4 | Very high | 178 Ų | 178 | 31.8 Ų | 31.8 | 67% | 0.672 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -116.2 | -48.5 | -176.3 | -62.4 | -178.9 | -65.3 | 129.9 | 2.9 | 114.2 | H25 D71 | H25-R27 PolarHBondContact ND1-N 2.9Å; H25-R27 VanDerWaalsContact ND1-N 3.12Å; H25-R27 PolarHBondContact O-N 3.38Å; R27-D71 IonicContact CZ-OD1 2.53Å; R27-D71 IonicContact CZ-OD2 2.69Å; R27-D71 IonicContact NH2-OD1 2.97Å; R27-D71 PolarHBondContact NH2-OD1 3.37Å; R27-D71 IonicContact NH2-OD2 3.72Å; R27-D71 PolarHBondContact NH2-OD2 3.03Å |
| 28 | L | 84.9 | Confident | 92.4 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 41% | 0.408 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -72.2 | 144.5 | 176.3 | -54 | 177.2 | 0 | 0 | 0 | 110.3 | H25 L30 D71 | H25-L28 HydrophobicContact CB-CB 4.42Å; H25-L28 WeakPolarHBondContact CB-O 3.43Å; H25-L28 VanDerWaalsContact CE1-CG 3.47Å; H25-L28 WeakPolarHBondContact CE1-CG 3.36Å; H25-L28 PolarHBondContact CE1-N 3.44Å; H25-L28 WeakPolarHBondContact ND1-CB 3.41Å; H25-L28 PolarHBondContact ND1-N 2.75Å; L28-L30 HydrophobicContact CB-CB 4.34Å; L28-L30 HydrophobicContact CB-CD1 3.88Å; L28-L30 HydrophobicContact CB-CG 3.98Å; L28-L30 HydrophobicContact CD1-CD1 3.86Å; L28-L30 PolarHBondContact O-N 2.91Å; L28-D71 HydrophobicContact CD1-CB 4.26Å |
| 29 | S | 87.8 | Confident | 92.4 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 37% | 0.371 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -67.8 | 51.1 | 171.6 | -87.6 | 0 | 0 | 0 | 0 | 111.8 | Y44 K45 | S29-Y44 CarbonylContact O-C 3.54Å; S29-Y44 WeakPolarHBondContact O-CA 3.25Å; S29-Y44 WeakPolarHBondContact O-CD2 3.35Å; S29-K45 WeakPolarHBondContact CB-O 3.42Å; S29-K45 PolarHBondContact O-N 2.77Å; S29-K45 PolarHBondContact OG-O 3.45Å |
| 30 | L | 92.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.9 | -173.4 | -66.7 | 174.5 | 0 | 0 | 0 | 111.3 | H25 L28 V42 W43 Y44 W52 W68 | H25-L30 HydrophobicContact CB-CB 3.85Å; H25-L30 VanDerWaalsContact CB-O 3.26Å; H25-L30 WeakPolarHBondContact CB-O 3.5Å; H25-L30 PolarHBondContact N-O 2.96Å; L28-L30 HydrophobicContact CB-CB 4.34Å; L28-L30 HydrophobicContact CB-CD1 3.88Å; L28-L30 HydrophobicContact CB-CG 3.98Å; L28-L30 HydrophobicContact CD1-CD1 3.86Å; L28-L30 PolarHBondContact O-N 2.91Å; L30-V42 HydrophobicContact CD2-CG1 4.06Å; L30-W43 CarbonylContact C-O 3.51Å; L30-W43 VanDerWaalsContact CA-O 3.24Å; L30-W43 WeakPolarHBondContact CA-O 3.18Å; L30-Y44 HydrophobicContact CD2-CD2 3.88Å; L30-W52 HydrophobicContact CD1-CZ3 4.1Å; L30-W52 HydrophobicContact CD2-CE3 3.64Å; L30-W52 HydrophobicContact CD2-CZ3 3.72Å; L30-W68 HydrophobicContact CB-CH2 4.26Å; L30-W68 HydrophobicContact CB-CZ2 3.9Å; L30-W68 HydrophobicContact CD1-CH2 3.91Å; L30-W68 HydrophobicContact CD1-CZ2 4.41Å; L30-W68 HydrophobicContact CD1-CZ3 4.49Å |
| 31 | I | 95.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 124.9 | 174.9 | -53.4 | 175.9 | 0 | 0 | 0 | 107.8 | F22 E23 C24 V33 V42 W43 K45 F302 | F22-I31 HydrophobicContact CD2-CG2 4.41Å; E23-I31 WeakPolarHBondContact O-CA 3.47Å; C24-I31 HydrophobicContact CB-CG1 4.46Å; I31-V33 HydrophobicContact CG2-CG2 3.92Å; I31-V42 CarbonylContact O-C 3.23Å; I31-V42 WeakPolarHBondContact O-CA 3.47Å; I31-W43 HydrophobicContact CB-CB 4.22Å; I31-W43 PolarHBondContact N-O 3.41Å; I31-W43 PolarHBondContact O-N 3.15Å; I31-K45 HydrophobicContact CD1-CB 4.22Å; I31-K45 HydrophobicContact CD1-CD 3.9Å; I31-F302 HydrophobicContact CD1-CE1 3.91Å; I31-F302 HydrophobicContact CD1-CZ 3.4Å |
| 32 | A | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F22 E23 E41 T66 W68 L73 | F22-A32 CarbonylContact C-O 3.54Å; F22-A32 WeakPolarHBondContact CA-O 3.4Å; F22-A32 WeakPolarHBondContact CB-O 3.34Å; E23-A32 PolarHBondContact N-O 3.24Å; E23-A32 PolarHBondContact O-N 2.93Å; A32-E41 CarbonylContact C-O 3.58Å; A32-E41 WeakPolarHBondContact CA-O 3.06Å; A32-T66 HydrophobicContact CB-CG2 3.93Å; A32-W68 HydrophobicContact CB-CZ2 4Å; A32-L73 HydrophobicContact CB-CD1 3.37Å; A32-L73 HydrophobicContact CB-CD2 4.2Å; A32-L73 HydrophobicContact CB-CG 4.45Å |
| 33 | V | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 113.8 | -174.6 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | I19 F22 I31 R35 V40 E41 W43 L300 | I19-V33 HydrophobicContact CB-CG1 4.42Å; I19-V33 HydrophobicContact CD1-CG1 4.18Å; I19-V33 HydrophobicContact CG1-CG1 3.96Å; I19-V33 HydrophobicContact CG2-CG1 3.73Å; F22-V33 HydrophobicContact CB-CB 4.26Å; F22-V33 HydrophobicContact CB-CG1 4.27Å; F22-V33 HydrophobicContact CB-CG2 3.92Å; I31-V33 HydrophobicContact CG2-CG2 3.92Å; V33-R35 HydrophobicContact CG1-CG 4.01Å; V33-V40 CarbonylContact O-C 3.59Å; V33-V40 WeakPolarHBondContact O-CA 3.36Å; V33-E41 HydrophobicContact CB-CB 4.33Å; V33-E41 PolarHBondContact N-O 3.07Å; V33-E41 PolarHBondContact O-N 3.47Å; V33-W43 HydrophobicContact CG2-CG 4.48Å; V33-L300 HydrophobicContact CG1-CD2 4.21Å; V33-L300 HydrophobicContact CG2-CD1 3.73Å; V33-L300 HydrophobicContact CG2-CD2 3.89Å; V33-L300 HydrophobicContact CG2-CG 4.26Å |
| 34 | A | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I19 T20 S21 K39 A63 T66 | I19-A34 WeakPolarHBondContact CA-O 3.25Å; T20-A34 PolarHBondContact N-O 2.76Å; T20-A34 WeakPolarHBondContact OG1-CB 3.44Å; S21-A34 PolarHBondContact O-N 3.07Å; S21-A34 VanDerWaalsContact OG-CB 3.28Å; S21-A34 WeakPolarHBondContact OG-CB 3.2Å; A34-K39 CarbonylContact C-O 3.57Å; A34-K39 WeakPolarHBondContact CA-O 3.5Å; A34-A63 WeakPolarHBondContact CB-O 2.92Å; A34-T66 HydrophobicContact CB-CG2 3.91Å |
| 35 | R | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.4 | -179.6 | -60 | -174.4 | -173.7 | -100.8 | 4.2 | 113.4 | E17 L18 I19 V33 G37 D38 K39 E41 G298 | E17-R35 HydrophobicContact CB-CB 3.97Å; E17-R35 PolarHBondContact O-NH1 2.9Å; L18-R35 CarbonylContact O-C 3.53Å; L18-R35 WeakPolarHBondContact O-CA 3.27Å; I19-R35 HydrophobicContact CG1-CG 4.22Å; V33-R35 HydrophobicContact CG1-CG 4.01Å; R35-G37 PolarHBondContact O-N 3.43Å; R35-D38 PolarHBondContact O-N 2.64Å; R35-K39 HydrophobicContact CB-CB 4.29Å; R35-K39 PolarHBondContact N-O 3.18Å; R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.17Å; R35-E41 WeakPolarHBondContact CD-OE1 3.48Å; R35-E41 IonicContact CZ-OE1 2.86Å; R35-E41 IonicContact CZ-OE2 2.8Å; R35-E41 IonicContact NE-OE1 2.66Å; R35-E41 PolarHBondContact NE-OE1 3.15Å; R35-E41 IonicContact NE-OE2 2.96Å; R35-E41 PolarHBondContact NE-OE2 3.43Å; R35-E41 IonicContact NH2-OE2 3.21Å; R35-E41 PolarHBondContact NH2-OE2 2.94Å; R35-E41 VanDerWaalsContact NH2-OE2 3.15Å; R35-G298 PolarHBondContact NH1-O 2.93Å |
| 36 | G | 88.9 | Confident | 90.8 | Very high | 34 Ų | 34 | 32 Ų | 32 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 12.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L18 D38 | L18-G36 PolarHBondContact O-N 3.31Å; G36-D38 VanDerWaalsContact C-N 3.33Å; G36-D38 PolarHBondContact O-N 3.13Å |
| 37 | G | 88.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -18.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R35 D61 Q62 A63 | R35-G37 PolarHBondContact O-N 3.43Å; G37-D61 CarbonylContact O-C 3.6Å; G37-D61 VanDerWaalsContact O-C 3.26Å; G37-D61 WeakPolarHBondContact O-CA 3.41Å; G37-D61 PolarHBondContact O-N 3.02Å; G37-Q62 PolarHBondContact O-N 3.3Å; G37-A63 PolarHBondContact O-N 2.79Å |
| 38 | D | 90.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -6.8 | -174.6 | 63.5 | -7.4 | 0 | 0 | 0 | 114.7 | R35 G36 Y56 T57 K336 Y337 | R35-D38 PolarHBondContact O-N 2.64Å; G36-D38 VanDerWaalsContact C-N 3.33Å; G36-D38 PolarHBondContact O-N 3.13Å; D38-Y56 CarbonylContact O-C 3.59Å; D38-Y56 VanDerWaalsContact O-CA 3.27Å; D38-Y56 WeakPolarHBondContact O-CA 3.32Å; D38-T57 VanDerWaalsContact CA-OG1 3.23Å; D38-T57 WeakPolarHBondContact CA-OG1 3.42Å; D38-T57 WeakPolarHBondContact CB-OG1 3.2Å; D38-T57 PolarHBondContact O-N 3.26Å; D38-T57 PolarHBondContact O-OG1 3.13Å; D38-K336 VanDerWaalsContact CG-NZ 3.32Å; D38-K336 WeakPolarHBondContact OD1-CE 3.3Å; D38-K336 IonicContact OD1-NZ 3.11Å; D38-K336 PolarHBondContact OD1-NZ 2.6Å; D38-K336 WeakPolarHBondContact OD2-CE 3.35Å; D38-K336 IonicContact OD2-NZ 3.42Å; D38-K336 PolarHBondContact OD2-NZ 3.35Å; D38-Y337 PolarHBondContact OD2-OH 3.09Å |
| 39 | K | 94 | Very high | 89.6 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | -174.2 | -163.4 | 176.7 | 83.8 | 171.9 | 0 | 110.4 | E17 A34 R35 E41 T54 Y55 Y56 S316 | E17-K39 VanDerWaalsContact OE1-CE 3.31Å; E17-K39 WeakPolarHBondContact OE1-CE 3.33Å; E17-K39 IonicContact OE1-NZ 2.93Å; E17-K39 PolarHBondContact OE1-NZ 3.04Å; A34-K39 CarbonylContact C-O 3.57Å; A34-K39 WeakPolarHBondContact CA-O 3.5Å; R35-K39 HydrophobicContact CB-CB 4.29Å; R35-K39 PolarHBondContact N-O 3.18Å; R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.17Å; K39-E41 WeakPolarHBondContact CE-OE1 3.29Å; K39-E41 IonicContact NZ-OE1 2.86Å; K39-E41 PolarHBondContact NZ-OE1 3.2Å; K39-T54 HydrophobicContact CD-CG2 3.73Å; K39-T54 HydrophobicContact CG-CG2 3.65Å; K39-Y55 WeakPolarHBondContact CA-O 3.4Å; K39-Y55 WeakPolarHBondContact CG-O 3.47Å; K39-Y56 HydrophobicContact CB-CD1 3.89Å; K39-Y56 HydrophobicContact CB-CE1 3.65Å; K39-Y56 HydrophobicContact CD-CD1 4.42Å; K39-Y56 HydrophobicContact CD-CE1 3.51Å; K39-Y56 HydrophobicContact CD-CE2 4.35Å; K39-Y56 VanDerWaalsContact CD-CZ 3.47Å; K39-Y56 VanDerWaalsContact CD-OH 3.27Å; K39-Y56 WeakPolarHBondContact CD-OH 3.46Å; K39-Y56 HydrophobicContact CG-CD1 3.89Å; K39-Y56 HydrophobicContact CG-CE1 3.46Å; K39-Y56 VanDerWaalsContact CG-CE1 3.46Å; K39-Y56 HydrophobicContact CG-CE2 4.42Å; K39-S316 PolarHBondContact NZ-OG 3.22Å; K39-S316 VanDerWaalsContact NZ-OG 3.14Å |
| 40 | V | 95.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.6 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | V33 T54 Y55 A63 T66 L73 C75 L85 | V33-V40 CarbonylContact O-C 3.59Å; V33-V40 WeakPolarHBondContact O-CA 3.36Å; V40-T54 CarbonylContact O-C 3.3Å; V40-T54 WeakPolarHBondContact O-CA 3.45Å; V40-Y55 PolarHBondContact N-O 3.19Å; V40-Y55 PolarHBondContact O-N 2.69Å; V40-A63 HydrophobicContact CG2-CB 3.55Å; V40-T66 HydrophobicContact CG1-CG2 4.45Å; V40-L73 HydrophobicContact CG1-CD2 4.32Å; V40-C75 HydrophobicContact CG2-CB 4.14Å; V40-L85 HydrophobicContact CB-CD1 3.62Å; V40-L85 HydrophobicContact CG1-CD1 3.57Å; V40-L85 HydrophobicContact CG2-CD1 3.82Å |
| 41 | E | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146.2 | 174.7 | -66.7 | 168 | -173 | 0 | 0 | 110.4 | A32 V33 R35 K39 W43 L51 K53 T54 S316 | A32-E41 CarbonylContact C-O 3.58Å; A32-E41 WeakPolarHBondContact CA-O 3.06Å; V33-E41 HydrophobicContact CB-CB 4.33Å; V33-E41 PolarHBondContact N-O 3.07Å; V33-E41 PolarHBondContact O-N 3.47Å; R35-E41 WeakPolarHBondContact CD-OE1 3.48Å; R35-E41 IonicContact CZ-OE1 2.86Å; R35-E41 IonicContact CZ-OE2 2.8Å; R35-E41 IonicContact NE-OE1 2.66Å; R35-E41 PolarHBondContact NE-OE1 3.15Å; R35-E41 IonicContact NE-OE2 2.96Å; R35-E41 PolarHBondContact NE-OE2 3.43Å; R35-E41 IonicContact NH2-OE2 3.21Å; R35-E41 PolarHBondContact NH2-OE2 2.94Å; R35-E41 VanDerWaalsContact NH2-OE2 3.15Å; K39-E41 WeakPolarHBondContact CE-OE1 3.29Å; K39-E41 IonicContact NZ-OE1 2.86Å; K39-E41 PolarHBondContact NZ-OE1 3.2Å; E41-W43 VanDerWaalsContact OE2-CE2 3.24Å; E41-W43 WeakPolarHBondContact OE2-CZ2 3.36Å; E41-W43 PolarHBondContact OE2-NE1 3.41Å; E41-L51 HydrophobicContact CB-CD1 3.68Å; E41-L51 HydrophobicContact CG-CD1 3.75Å; E41-K53 CarbonylContact C-O 3.6Å; E41-K53 WeakPolarHBondContact CA-O 3.2Å; E41-T54 HydrophobicContact CG-CG2 4.48Å; E41-S316 WeakPolarHBondContact OE1-CB 3.35Å; E41-S316 PolarHBondContact OE1-OG 3Å |
| 42 | V | 95 | Very high | 89.1 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.1 | 167.7 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | L30 I31 W52 K53 Y55 W68 L73 | L30-V42 HydrophobicContact CD2-CG1 4.06Å; I31-V42 CarbonylContact O-C 3.23Å; I31-V42 WeakPolarHBondContact O-CA 3.47Å; V42-W52 HydrophobicContact CB-CE3 4.13Å; V42-W52 HydrophobicContact CG1-CE3 3.53Å; V42-W52 HydrophobicContact CG1-CZ3 3.93Å; V42-W52 WeakPolarHBondContact O-CA 3.1Å; V42-W52 WeakPolarHBondContact O-CB 3.33Å; V42-W52 PolarHBondContact O-N 3.31Å; V42-K53 HydrophobicContact CB-CB 4.42Å; V42-K53 PolarHBondContact N-O 3.48Å; V42-K53 PolarHBondContact O-N 2.79Å; V42-K53 VanDerWaalsContact O-N 3.1Å; V42-Y55 HydrophobicContact CG2-CD2 4.44Å; V42-Y55 HydrophobicContact CG2-CE2 3.78Å; V42-W68 HydrophobicContact CG1-CH2 4.06Å; V42-W68 HydrophobicContact CG1-CZ2 4.02Å; V42-L73 HydrophobicContact CG2-CD2 3.37Å |
| 43 | W | 93.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.1 | -178.9 | -66.4 | 73.4 | 0 | 0 | 0 | 109.8 | L30 I31 V33 E41 C49 Q50 L51 L300 F314 Y315 | L30-W43 CarbonylContact C-O 3.51Å; L30-W43 VanDerWaalsContact CA-O 3.24Å; L30-W43 WeakPolarHBondContact CA-O 3.18Å; I31-W43 HydrophobicContact CB-CB 4.22Å; I31-W43 PolarHBondContact N-O 3.41Å; I31-W43 PolarHBondContact O-N 3.15Å; V33-W43 HydrophobicContact CG2-CG 4.48Å; E41-W43 VanDerWaalsContact OE2-CE2 3.24Å; E41-W43 WeakPolarHBondContact OE2-CZ2 3.36Å; E41-W43 PolarHBondContact OE2-NE1 3.41Å; W43-C49 HydrophobicContact CE3-CB 4.45Å; W43-C49 WeakPolarHBondContact CZ3-O 3.34Å; W43-Q50 CarbonylContact C-O 3.59Å; W43-Q50 WeakPolarHBondContact CA-O 3Å; W43-L51 HydrophobicContact CD2-CB 4.46Å; W43-L51 HydrophobicContact CD2-CD1 4.38Å; W43-L51 HydrophobicContact CE3-CB 4.27Å; W43-L51 HydrophobicContact CH2-CB 4.12Å; W43-L51 HydrophobicContact CZ2-CB 4.31Å; W43-L51 HydrophobicContact CZ2-CD1 4.15Å; W43-L51 HydrophobicContact CZ3-CB 4.11Å; W43-L300 HydrophobicContact CD2-CD1 3.94Å; W43-L300 HydrophobicContact CG-CD1 4.08Å; W43-L300 HydrophobicContact CZ2-CD1 4.49Å; W43-F314 HydrophobicContact CH2-CB 4.47Å; W43-F314 HydrophobicContact CZ3-CB 4.08Å; W43-Y315 WeakPolarHBondContact CH2-O 3.4Å |
| 44 | Y | 88.8 | Confident | 88.7 | Confident | 38 Ų | 38 | 21.8 Ų | 21.8 | 15% | 0.149 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.9 | 172.8 | -176.6 | -110.2 | 0 | 0 | 0 | 110.5 | S29 L30 K46 C49 Q50 Y520 | S29-Y44 CarbonylContact O-C 3.54Å; S29-Y44 WeakPolarHBondContact O-CA 3.25Å; S29-Y44 WeakPolarHBondContact O-CD2 3.35Å; L30-Y44 HydrophobicContact CD2-CD2 3.88Å; Y44-K46 HydrophobicContact CE1-CB 3.84Å; Y44-K46 HydrophobicContact CE1-CD 4.31Å; Y44-C49 CarbonylContact O-C 3.47Å; Y44-C49 WeakPolarHBondContact O-CA 3.48Å; Y44-Q50 PolarHBondContact N-O 2.79Å; Y44-Q50 PolarHBondContact O-N 3.32Å; Y44-Y520 HydrophobicContact CD1-CG 4.31Å |
| 45 | K | 83.7 | Confident | 88.6 | Confident | 43 Ų | 43 | 22 Ų | 22 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 91.9 | -176 | -173.7 | -166.4 | 175 | 72.5 | 0 | 112.1 | S29 I31 G48 C49 F302 | S29-K45 WeakPolarHBondContact CB-O 3.42Å; S29-K45 PolarHBondContact O-N 2.77Å; S29-K45 PolarHBondContact OG-O 3.45Å; I31-K45 HydrophobicContact CD1-CB 4.22Å; I31-K45 HydrophobicContact CD1-CD 3.9Å; K45-G48 VanDerWaalsContact CA-O 3.29Å; K45-G48 WeakPolarHBondContact CA-O 3.34Å; K45-C49 HydrophobicContact CG-CB 4.47Å; K45-F302 HydrophobicContact CD-CD1 4.37Å; K45-F302 HydrophobicContact CD-CE1 3.56Å; K45-F302 HydrophobicContact CD-CZ 3.87Å |
| 46 | K | 77.1 | Confident | 88.6 | Confident | 109 Ų | 109 | 22.4 Ų | 22.4 | 47% | 0.474 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -106.9 | -80 | 172.6 | -167.5 | 174.5 | -173.6 | 172.5 | 0 | 111.5 | Y44 G48 | Y44-K46 HydrophobicContact CE1-CB 3.84Å; Y44-K46 HydrophobicContact CE1-CD 4.31Å; K46-G48 PolarHBondContact N-O 2.59Å |
| 47 | I | 70.5 | Confident | 88.6 | Confident | 87 Ų | 87 | 21 Ų | 21 | 45% | 0.446 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -96.2 | -48.1 | 171.8 | -58 | 178.2 | 0 | 0 | 0 | 110 | T539 | I47-T539 HydrophobicContact CD1-CG2 3.93Š|
| 48 | G | 76.7 | Confident | 88.3 | Confident | 18 Ų | 18 | 30 Ų | 30 | 19% | 0.186 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -99.2 | -161.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K45 K46 | K45-G48 VanDerWaalsContact CA-O 3.29Å; K45-G48 WeakPolarHBondContact CA-O 3.34Å; K46-G48 PolarHBondContact N-O 2.59Å |
| 49 | C | 84.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 93.8 | 173.7 | -164.1 | 0 | 0 | 0 | 0 | 108.6 | W43 Y44 K45 F314 Q571 | W43-C49 HydrophobicContact CE3-CB 4.45Å; W43-C49 WeakPolarHBondContact CZ3-O 3.34Å; Y44-C49 CarbonylContact O-C 3.47Å; Y44-C49 WeakPolarHBondContact O-CA 3.48Å; K45-C49 HydrophobicContact CG-CB 4.47Å; C49-F314 HydrophobicContact CB-CB 4.44Å; C49-F314 HydrophobicContact CB-CD1 3.48Å; C49-F314 VanDerWaalsContact CB-CD1 3.48Å; C49-F314 HydrophobicContact CB-CD2 3.82Å; C49-F314 HydrophobicContact CB-CE1 3.48Å; C49-F314 VanDerWaalsContact CB-CE1 3.48Å; C49-F314 HydrophobicContact CB-CE2 3.82Å; C49-F314 HydrophobicContact CB-CG 3.64Å; C49-F314 HydrophobicContact CB-CZ 3.64Å; C49-Q571 VanDerWaalsContact C-NE2 3.34Å; C49-Q571 VanDerWaalsContact O-CD 3.31Å; C49-Q571 PolarHBondContact O-NE2 2.6Å; C49-Q571 PolarHBondContact O-OE1 2.82Å |
| 50 | Q | 86.5 | Confident | 87.3 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136 | -175.8 | -64.7 | -71.2 | 1 | 0 | 0 | 110.9 | W43 Y44 W52 Y520 V522 D538 Q571 P572 | W43-Q50 CarbonylContact C-O 3.59Å; W43-Q50 WeakPolarHBondContact CA-O 3Å; Y44-Q50 PolarHBondContact N-O 2.79Å; Y44-Q50 PolarHBondContact O-N 3.32Å; Q50-W52 PolarHBondContact O-N 3.36Å; Q50-Y520 HydrophobicContact CB-CD1 4.26Å; Q50-Y520 HydrophobicContact CB-CE1 3.97Å; Q50-Y520 HydrophobicContact CG-CD1 4.18Å; Q50-Y520 HydrophobicContact CG-CE1 4.22Å; Q50-V522 HydrophobicContact CG-CG2 4.38Å; Q50-D538 HydrophobicContact CG-CB 4.23Å; Q50-Q571 HydrophobicContact CG-CG 4.47Å; Q50-P572 PolarHBondContact NE2-O 3.49Å |
| 51 | L | 89.3 | Confident | 86.6 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 112.4 | 166.7 | 177.6 | 62.2 | 0 | 0 | 0 | 107.5 | E41 W43 | E41-L51 HydrophobicContact CB-CD1 3.68Å; E41-L51 HydrophobicContact CG-CD1 3.75Å; W43-L51 HydrophobicContact CD2-CB 4.46Å; W43-L51 HydrophobicContact CD2-CD1 4.38Å; W43-L51 HydrophobicContact CE3-CB 4.27Å; W43-L51 HydrophobicContact CH2-CB 4.12Å; W43-L51 HydrophobicContact CZ2-CB 4.31Å; W43-L51 HydrophobicContact CZ2-CD1 4.15Å; W43-L51 HydrophobicContact CZ3-CB 4.11Å |
| 52 | W | 89.8 | Confident | 86 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 11% | 0.114 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -46.2 | -177.9 | 171.4 | 32.1 | 0 | 0 | 0 | 111.1 | L30 V42 Q50 P87 S497 F499 Y520 | L30-W52 HydrophobicContact CD1-CZ3 4.1Å; L30-W52 HydrophobicContact CD2-CE3 3.64Å; L30-W52 HydrophobicContact CD2-CZ3 3.72Å; V42-W52 HydrophobicContact CB-CE3 4.13Å; V42-W52 HydrophobicContact CG1-CE3 3.53Å; V42-W52 HydrophobicContact CG1-CZ3 3.93Å; V42-W52 WeakPolarHBondContact O-CA 3.1Å; V42-W52 WeakPolarHBondContact O-CB 3.33Å; V42-W52 PolarHBondContact O-N 3.31Å; Q50-W52 PolarHBondContact O-N 3.36Å; W52-P87 HydrophobicContact CH2-CB 3.38Å; W52-P87 HydrophobicContact CH2-CG 4.29Å; W52-P87 HydrophobicContact CZ2-CB 3.79Å; W52-P87 HydrophobicContact CZ3-CB 4.2Å; W52-S497 WeakPolarHBondContact CZ2-O 3.29Å; W52-F499 AromaticContact CD1-CE1 3.7Å; W52-F499 HydrophobicContact CD2-CE1 4.13Å; W52-F499 HydrophobicContact CD2-CZ 4.16Å; W52-F499 AromaticContact CE2-CE1 3.51Å; W52-F499 AromaticContact CE2-CZ 3.7Å; W52-F499 HydrophobicContact CG-CE1 4.23Å; W52-F499 HydrophobicContact CH2-CZ 4.35Å; W52-F499 AromaticContact CZ2-CE1 3.94Å; W52-F499 HydrophobicContact CZ2-CE1 3.94Å; W52-F499 AromaticContact CZ2-CZ 3.81Å; W52-F499 HydrophobicContact CZ2-CZ 3.81Å; W52-F499 AromaticContact NE1-CE1 3.24Å; W52-F499 AromaticContact NE1-CZ 3.94Å; W52-Y520 AromaticContact CD1-CE2 3.63Å; W52-Y520 HydrophobicContact CG-CE2 4.29Å |
| 53 | K | 91.2 | Very high | 85.4 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 150.7 | -174.4 | -166.1 | 163.5 | 175.9 | -169 | 0 | 112.5 | E41 V42 Y55 S86 P87 S89 | E41-K53 CarbonylContact C-O 3.6Å; E41-K53 WeakPolarHBondContact CA-O 3.2Å; V42-K53 HydrophobicContact CB-CB 4.42Å; V42-K53 PolarHBondContact N-O 3.48Å; V42-K53 PolarHBondContact O-N 2.79Å; V42-K53 VanDerWaalsContact O-N 3.1Å; K53-Y55 HydrophobicContact CB-CE2 4.46Å; K53-Y55 HydrophobicContact CD-CE1 4.15Å; K53-Y55 HydrophobicContact CD-CE2 4.08Å; K53-Y55 VanDerWaalsContact CD-OH 3.29Å; K53-Y55 WeakPolarHBondContact CD-OH 3.31Å; K53-Y55 VanDerWaalsContact CE-CE1 3.45Å; K53-Y55 VanDerWaalsContact CE-CZ 3.42Å; K53-Y55 WeakPolarHBondContact CE-OH 3.39Å; K53-Y55 HydrophobicContact CG-CE2 4.02Å; K53-Y55 PolarHBondContact NZ-OH 2.82Å; K53-S86 PolarHBondContact NZ-O 3.16Å; K53-P87 PolarHBondContact NZ-O 3.11Å; K53-S89 WeakPolarHBondContact CE-O 3.22Å; K53-S89 VanDerWaalsContact NZ-C 3.3Å; K53-S89 PolarHBondContact NZ-O 3.31Å |
| 54 | T | 93.5 | Very high | 85.1 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 24% | 0.239 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.7 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | K39 V40 E41 Y56 | K39-T54 HydrophobicContact CD-CG2 3.73Å; K39-T54 HydrophobicContact CG-CG2 3.65Å; V40-T54 CarbonylContact O-C 3.3Å; V40-T54 WeakPolarHBondContact O-CA 3.45Å; E41-T54 HydrophobicContact CG-CG2 4.48Å; T54-Y56 HydrophobicContact CG2-CD2 4.36Å; T54-Y56 HydrophobicContact CG2-CE2 3.92Å |
| 55 | Y | 94.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.3 | 172.2 | -56.1 | -88.8 | 0 | 0 | 0 | 109.1 | K39 V40 V42 K53 L73 L85 S86 P87 S89 | K39-Y55 WeakPolarHBondContact CA-O 3.4Å; K39-Y55 WeakPolarHBondContact CG-O 3.47Å; V40-Y55 PolarHBondContact N-O 3.19Å; V40-Y55 PolarHBondContact O-N 2.69Å; V42-Y55 HydrophobicContact CG2-CD2 4.44Å; V42-Y55 HydrophobicContact CG2-CE2 3.78Å; K53-Y55 HydrophobicContact CB-CE2 4.46Å; K53-Y55 HydrophobicContact CD-CE1 4.15Å; K53-Y55 HydrophobicContact CD-CE2 4.08Å; K53-Y55 VanDerWaalsContact CD-OH 3.29Å; K53-Y55 WeakPolarHBondContact CD-OH 3.31Å; K53-Y55 VanDerWaalsContact CE-CE1 3.45Å; K53-Y55 VanDerWaalsContact CE-CZ 3.42Å; K53-Y55 WeakPolarHBondContact CE-OH 3.39Å; K53-Y55 HydrophobicContact CG-CE2 4.02Å; K53-Y55 PolarHBondContact NZ-OH 2.82Å; Y55-L73 HydrophobicContact CE2-CD2 4.44Å; Y55-L85 HydrophobicContact CD1-CB 4.32Å; Y55-L85 HydrophobicContact CD1-CD2 4.17Å; Y55-L85 HydrophobicContact CD2-CB 4.12Å; Y55-L85 HydrophobicContact CD2-CD1 4.08Å; Y55-L85 HydrophobicContact CE1-CB 4.14Å; Y55-L85 HydrophobicContact CE2-CB 3.94Å; Y55-L85 HydrophobicContact CG-CB 4.3Å; Y55-L85 HydrophobicContact CG-CD1 4.3Å; Y55-L85 HydrophobicContact CG-CD2 4.09Å; Y55-L85 HydrophobicContact CG-CG 4.48Å; Y55-L85 PolarHBondContact OH-O 3.2Å; Y55-S86 PolarHBondContact OH-O 2.8Å; Y55-P87 WeakPolarHBondContact OH-CA 3.37Å; Y55-S89 WeakPolarHBondContact CE1-O 3.41Å |
| 56 | Y | 92.9 | Very high | 85.8 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.8 | 166.6 | -73.7 | -80.1 | 0 | 0 | 0 | 109.5 | D38 K39 T54 K336 P377 L379 V395 | D38-Y56 CarbonylContact O-C 3.59Å; D38-Y56 VanDerWaalsContact O-CA 3.27Å; D38-Y56 WeakPolarHBondContact O-CA 3.32Å; K39-Y56 HydrophobicContact CB-CD1 3.89Å; K39-Y56 HydrophobicContact CB-CE1 3.65Å; K39-Y56 HydrophobicContact CD-CD1 4.42Å; K39-Y56 HydrophobicContact CD-CE1 3.51Å; K39-Y56 HydrophobicContact CD-CE2 4.35Å; K39-Y56 VanDerWaalsContact CD-CZ 3.47Å; K39-Y56 VanDerWaalsContact CD-OH 3.27Å; K39-Y56 WeakPolarHBondContact CD-OH 3.46Å; K39-Y56 HydrophobicContact CG-CD1 3.89Å; K39-Y56 HydrophobicContact CG-CE1 3.46Å; K39-Y56 VanDerWaalsContact CG-CE1 3.46Å; K39-Y56 HydrophobicContact CG-CE2 4.42Å; T54-Y56 HydrophobicContact CG2-CD2 4.36Å; T54-Y56 HydrophobicContact CG2-CE2 3.92Å; Y56-K336 HydrophobicContact CE1-CD 4.49Å; Y56-K336 HydrophobicContact CE1-CG 4.36Å; Y56-P377 HydrophobicContact CD1-CB 3.46Å; Y56-P377 VanDerWaalsContact CD1-CB 3.46Å; Y56-P377 HydrophobicContact CD1-CG 3.6Å; Y56-P377 HydrophobicContact CD2-CB 3.71Å; Y56-P377 HydrophobicContact CE1-CB 3.67Å; Y56-P377 HydrophobicContact CE1-CG 4.11Å; Y56-P377 HydrophobicContact CE2-CB 3.9Å; Y56-P377 HydrophobicContact CG-CB 3.47Å; Y56-P377 VanDerWaalsContact CG-CB 3.47Å; Y56-P377 HydrophobicContact CG-CG 3.85Å; Y56-L379 HydrophobicContact CD2-CD1 3.61Å; Y56-L379 HydrophobicContact CD2-CG 3.92Å; Y56-L379 HydrophobicContact CE2-CD1 4.35Å; Y56-L379 HydrophobicContact CE2-CG 4.44Å; Y56-L379 HydrophobicContact CG-CD1 4.43Å; Y56-V395 VanDerWaalsContact CB-CG2 3.49Å; Y56-V395 HydrophobicContact CG-CG2 4.48Å |
| 57 | T | 89.1 | Confident | 86.6 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | trans | -75.5 | 164.7 | 168 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | D38 K59 Q62 A63 L83 | D38-T57 VanDerWaalsContact CA-OG1 3.23Å; D38-T57 WeakPolarHBondContact CA-OG1 3.42Å; D38-T57 WeakPolarHBondContact CB-OG1 3.2Å; D38-T57 PolarHBondContact O-N 3.26Å; D38-T57 PolarHBondContact O-OG1 3.13Å; T57-K59 VanDerWaalsContact C-N 3.34Å; T57-K59 PolarHBondContact OG1-O 2.82Å; T57-Q62 HydrophobicContact CG2-CB 3.92Å; T57-A63 HydrophobicContact CG2-CB 3.59Å; T57-L83 HydrophobicContact CG2-CD1 4.05Å | ||
| 58 | R | 82.7 | Confident | 87.8 | Confident | 191 Ų | 191 | 38 Ų | 38 | 72% | 0.721 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -77 | -23.2 | -176.8 | -71.7 | -173.9 | -177.8 | -168.4 | 2.8 | 113.3 | V395 R396 | R58-V395 HydrophobicContact CG-CG1 3.91Å; R58-R396 PolarHBondContact O-NH1 2.71Å |
| 59 | K | 82.5 | Confident | 88.6 | Confident | 119 Ų | 119 | 37.5 Ų | 37.5 | 52% | 0.517 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -129.8 | 152.8 | 177.2 | -58.5 | -177.7 | 176.6 | 177.5 | 0 | 110.2 | T57 Q62 | T57-K59 VanDerWaalsContact C-N 3.34Å; T57-K59 PolarHBondContact OG1-O 2.82Å; K59-Q62 HydrophobicContact CB-CG 4.26Å |
| 60 | P | 80.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 42.4 Ų | 42.4 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 156 | 164.8 | -26.3 | 35.8 | 0 | 0 | 0 | 113.1 | Q62 | P60-Q62 PolarHBondContact O-N 3.39Š|
| 61 | D | 80.8 | Confident | 88.9 | Confident | 114 Ų | 114 | 45 Ų | 45 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 18 | 172 | -50.8 | -41.9 | 0 | 0 | 0 | 117 | G37 | G37-D61 CarbonylContact O-C 3.6Å; G37-D61 VanDerWaalsContact O-C 3.26Å; G37-D61 WeakPolarHBondContact O-CA 3.41Å; G37-D61 PolarHBondContact O-N 3.02Å |
| 62 | Q | 82.6 | Confident | 89 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87.4 | -44 | 175.6 | -68.8 | -176.1 | -24.4 | 0 | 0 | 112.1 | G37 T57 K59 P60 L64 F76 | G37-Q62 PolarHBondContact O-N 3.3Å; T57-Q62 HydrophobicContact CG2-CB 3.92Å; K59-Q62 HydrophobicContact CB-CG 4.26Å; P60-Q62 PolarHBondContact O-N 3.39Å; Q62-L64 PolarHBondContact O-N 3.43Å; Q62-L64 VanDerWaalsContact O-N 3.12Å; Q62-F76 CarbonylContact C-O 3.56Å; Q62-F76 VanDerWaalsContact C-O 3.23Å; Q62-F76 CarbonylContact O-C 3.58Å; Q62-F76 VanDerWaalsContact O-C 3.3Å |
| 63 | A | 83.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 26 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | A34 G37 V40 T57 V65 | A34-A63 WeakPolarHBondContact CB-O 2.92Å; G37-A63 PolarHBondContact O-N 2.79Å; V40-A63 HydrophobicContact CG2-CB 3.55Å; T57-A63 HydrophobicContact CG2-CB 3.59Å; A63-V65 VanDerWaalsContact C-N 3.32Å; A63-V65 PolarHBondContact O-N 2.89Å |
| 64 | L | 87.3 | Confident | 89.5 | Confident | 74 Ų | 74 | 45 Ų | 45 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.9 | -173.5 | -66.2 | 172.2 | 0 | 0 | 0 | 113 | T20 S21 Q62 | T20-L64 HydrophobicContact CG2-CD2 3.99Å; T20-L64 PolarHBondContact OG1-O 2.83Å; S21-L64 WeakPolarHBondContact CB-O 3.49Å; S21-L64 PolarHBondContact OG-O 2.85Å; Q62-L64 PolarHBondContact O-N 3.43Å; Q62-L64 VanDerWaalsContact O-N 3.12Å |
| 65 | V | 91.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | trans | -114.7 | 127.7 | 178.3 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | S21 A63 C75 F76 V106 | S21-V65 VanDerWaalsContact OG-CA 3.32Å; S21-V65 WeakPolarHBondContact OG-CA 3.34Å; A63-V65 VanDerWaalsContact C-N 3.32Å; A63-V65 PolarHBondContact O-N 2.89Å; V65-C75 VanDerWaalsContact O-CA 3.26Å; V65-C75 WeakPolarHBondContact O-CA 3.42Å; V65-C75 VanDerWaalsContact O-CB 3.3Å; V65-C75 WeakPolarHBondContact O-CB 3.45Å; V65-F76 HydrophobicContact CB-CD2 3.65Å; V65-F76 HydrophobicContact CB-CE2 3.56Å; V65-F76 HydrophobicContact CG1-CD2 4.36Å; V65-F76 HydrophobicContact CG1-CE2 3.82Å; V65-F76 HydrophobicContact CG1-CZ 4.43Å; V65-F76 HydrophobicContact CG2-CD2 4.1Å; V65-F76 HydrophobicContact CG2-CE2 3.93Å; V65-F76 PolarHBondContact O-N 2.86Å; V65-V106 HydrophobicContact CG1-CG1 3.89Å | ||
| 66 | T | 94.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.4 | 172.6 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | S21 A32 A34 V40 L73 F74 | S21-T66 PolarHBondContact OG-N 2.84Å; A32-T66 HydrophobicContact CB-CG2 3.93Å; A34-T66 HydrophobicContact CB-CG2 3.91Å; V40-T66 HydrophobicContact CG1-CG2 4.45Å; T66-L73 WeakPolarHBondContact OG1-CD1 3.37Å; T66-F74 VanDerWaalsContact CA-O 3.27Å; T66-F74 WeakPolarHBondContact CA-O 3.23Å; T66-F74 PolarHBondContact OG1-O 3.08Å |
| 67 | F | 95.1 | Very high | 89 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 154.1 | -176 | 65.8 | -87.8 | 0 | 0 | 0 | 113.6 | E23 F74 F76 L82 V106 L115 F117 | E23-F67 WeakPolarHBondContact OE2-CA 3.29Å; E23-F67 WeakPolarHBondContact OE2-CB 3.26Å; F67-F74 HydrophobicContact CD1-CB 4.36Å; F67-F74 HydrophobicContact CD2-CB 4.45Å; F67-F74 HydrophobicContact CD2-CD2 4.4Å; F67-F74 HydrophobicContact CE1-CB 3.9Å; F67-F74 HydrophobicContact CE2-CB 3.99Å; F67-F74 AromaticContact CE2-CD2 3.92Å; F67-F74 HydrophobicContact CE2-CD2 3.92Å; F67-F74 HydrophobicContact CE2-CG 4.26Å; F67-F74 HydrophobicContact CZ-CB 3.71Å; F67-F74 HydrophobicContact CZ-CD2 4.4Å; F67-F74 HydrophobicContact CZ-CG 4.29Å; F67-F74 PolarHBondContact N-O 3.34Å; F67-F74 PolarHBondContact O-N 3.49Å; F67-F76 HydrophobicContact CE1-CE1 4.09Å; F67-F76 HydrophobicContact CE1-CZ 4.41Å; F67-L82 HydrophobicContact CE1-CD1 3.76Å; F67-L82 HydrophobicContact CZ-CD1 3.6Å; F67-L82 HydrophobicContact CZ-CD2 4.43Å; F67-V106 HydrophobicContact CB-CG1 4.16Å; F67-V106 HydrophobicContact CD1-CB 4.43Å; F67-V106 HydrophobicContact CD1-CG1 3.67Å; F67-V106 HydrophobicContact CD1-CG2 4.45Å; F67-V106 HydrophobicContact CD2-CG2 4.46Å; F67-V106 HydrophobicContact CE1-CB 4.43Å; F67-V106 HydrophobicContact CE1-CG1 4.14Å; F67-V106 HydrophobicContact CE1-CG2 4.29Å; F67-V106 HydrophobicContact CE2-CG2 4.32Å; F67-V106 HydrophobicContact CG-CG1 3.93Å; F67-V106 HydrophobicContact CZ-CG2 4.2Å; F67-L115 HydrophobicContact CE2-CD1 3.93Å; F67-L115 HydrophobicContact CE2-CD2 4.37Å; F67-L115 HydrophobicContact CZ-CD1 4.41Å; F67-F117 HydrophobicContact CE1-CE1 4.05Å; F67-F117 AromaticContact CZ-CE1 3.72Å; F67-F117 HydrophobicContact CZ-CE1 3.72Å; F67-F117 AromaticContact CZ-CZ 3.89Å; F67-F117 HydrophobicContact CZ-CZ 3.89Å |
| 68 | W | 94.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.2 | 174.1 | -63.9 | 100.4 | 0 | 0 | 0 | 111.5 | E23 H25 L30 A32 V42 R72 L73 K108 | E23-W68 PolarHBondContact O-NE1 3.42Å; E23-W68 PolarHBondContact OE2-N 3.37Å; H25-W68 HydrophobicContact CB-CD2 4.28Å; H25-W68 HydrophobicContact CB-CG 4.27Å; H25-W68 AromaticContact CD2-CD2 3.55Å; H25-W68 AromaticContact CD2-CE3 3.56Å; H25-W68 AromaticContact CD2-CG 3.85Å; L30-W68 HydrophobicContact CB-CH2 4.26Å; L30-W68 HydrophobicContact CB-CZ2 3.9Å; L30-W68 HydrophobicContact CD1-CH2 3.91Å; L30-W68 HydrophobicContact CD1-CZ2 4.41Å; L30-W68 HydrophobicContact CD1-CZ3 4.49Å; A32-W68 HydrophobicContact CB-CZ2 4Å; V42-W68 HydrophobicContact CG1-CH2 4.06Å; V42-W68 HydrophobicContact CG1-CZ2 4.02Å; W68-R72 WeakPolarHBondContact CA-O 3.46Å; W68-L73 HydrophobicContact CD2-CB 4.46Å; W68-L73 HydrophobicContact CD2-CD1 3.98Å; W68-L73 HydrophobicContact CE3-CB 3.85Å; W68-L73 HydrophobicContact CE3-CD1 4.22Å; W68-L73 HydrophobicContact CH2-CB 4.03Å; W68-L73 HydrophobicContact CH2-CD1 4.41Å; W68-L73 HydrophobicContact CH2-CD2 4.22Å; W68-L73 HydrophobicContact CH2-CG 4.46Å; W68-L73 HydrophobicContact CZ2-CD1 4.16Å; W68-L73 HydrophobicContact CZ2-CD2 4.37Å; W68-L73 HydrophobicContact CZ3-CB 3.63Å; W68-L73 HydrophobicContact CZ3-CD1 4.46Å; W68-L73 HydrophobicContact CZ3-CG 4.46Å; W68-K108 WeakPolarHBondContact O-CD 3.29Å; W68-K108 PolarHBondContact O-NZ 3.17Å |
| 69 | Y | 93.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 119.9 | 171.8 | 177.1 | -100 | 0 | 0 | 0 | 110.3 | D71 R72 F74 G112 T113 L115 L129 F136 | Y69-D71 PolarHBondContact O-N 2.79Å; Y69-D71 VanDerWaalsContact O-N 3.11Å; Y69-R72 PolarHBondContact N-O 2.8Å; Y69-R72 WeakPolarHBondContact O-CB 3.42Å; Y69-R72 PolarHBondContact O-N 3.31Å; Y69-F74 HydrophobicContact CD1-CE2 4.49Å; Y69-G112 WeakPolarHBondContact CE2-O 3.3Å; Y69-T113 PolarHBondContact OH-O 2.94Å; Y69-L115 HydrophobicContact CD1-CD1 4.49Å; Y69-L115 HydrophobicContact CD2-CD1 4.13Å; Y69-L115 HydrophobicContact CD2-CD2 3.48Å; Y69-L115 VanDerWaalsContact CD2-CD2 3.48Å; Y69-L115 HydrophobicContact CD2-CG 3.86Å; Y69-L115 HydrophobicContact CE2-CD1 4.4Å; Y69-L115 HydrophobicContact CE2-CD2 3.9Å; Y69-L115 HydrophobicContact CE2-CG 3.9Å; Y69-L115 HydrophobicContact CG-CD1 4.14Å; Y69-L115 HydrophobicContact CG-CD2 4.17Å; Y69-L115 HydrophobicContact CG-CG 4.39Å; Y69-L129 HydrophobicContact CE1-CB 3.92Å; Y69-L129 HydrophobicContact CE1-CD2 4.33Å; Y69-F136 AromaticContact CD1-CE1 3.86Å; Y69-F136 HydrophobicContact CD1-CE1 3.86Å; Y69-F136 AromaticContact CD1-CZ 3.91Å; Y69-F136 HydrophobicContact CD1-CZ 3.91Å; Y69-F136 AromaticContact CE1-CE1 3.71Å; Y69-F136 HydrophobicContact CE1-CE1 3.71Å; Y69-F136 HydrophobicContact CE1-CZ 4.2Å |
| 70 | L | 87.3 | Confident | 88.8 | Confident | 103 Ų | 103 | 37 Ų | 37 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 32.3 | -175.6 | -54.8 | 177.6 | 0 | 0 | 0 | 115.4 | L129 | L70-L129 HydrophobicContact CD1-CD2 3.71Š|
| 71 | D | 90 | Very high | 89.3 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 35% | 0.353 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 5.6 | -174.4 | -43.2 | -23.5 | 0 | 0 | 0 | 116 | H25 R27 L28 Y69 | H25-D71 IonicContact CE1-OD1 2.74Å; H25-D71 PolarHBondContact CE1-OD1 3.35Å; H25-D71 WeakPolarHBondContact NE2-CA 3.33Å; H25-D71 IonicContact NE2-OD1 2.66Å; H25-D71 PolarHBondContact NE2-OD1 3.27Å; R27-D71 IonicContact CZ-OD1 2.53Å; R27-D71 IonicContact CZ-OD2 2.69Å; R27-D71 IonicContact NH2-OD1 2.97Å; R27-D71 PolarHBondContact NH2-OD1 3.37Å; R27-D71 IonicContact NH2-OD2 3.72Å; R27-D71 PolarHBondContact NH2-OD2 3.03Å; L28-D71 HydrophobicContact CD1-CB 4.26Å; Y69-D71 PolarHBondContact O-N 2.79Å; Y69-D71 VanDerWaalsContact O-N 3.11Å |
| 72 | R | 92.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 28.8 Ų | 28.8 | 22% | 0.223 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.3 | 170 | -62.2 | 167.1 | 68 | -172.1 | 1.4 | 110.3 | W68 Y69 F74 E84 G134 | W68-R72 WeakPolarHBondContact CA-O 3.46Å; Y69-R72 PolarHBondContact N-O 2.8Å; Y69-R72 WeakPolarHBondContact O-CB 3.42Å; Y69-R72 PolarHBondContact O-N 3.31Å; R72-F74 HydrophobicContact CB-CD2 4.42Å; R72-F74 HydrophobicContact CB-CE2 3.41Å; R72-F74 VanDerWaalsContact CB-CE2 3.41Å; R72-F74 HydrophobicContact CB-CZ 3.5Å; R72-F74 HydrophobicContact CG-CZ 4.42Å; R72-E84 IonicContact CZ-OE1 3.53Å; R72-E84 IonicContact CZ-OE2 2.97Å; R72-E84 IonicContact NE-OE1 2.63Å; R72-E84 PolarHBondContact NE-OE1 3.43Å; R72-E84 IonicContact NE-OE2 2.6Å; R72-E84 VanDerWaalsContact NH2-CD 3.27Å; R72-E84 IonicContact NH2-OE1 2.69Å; R72-E84 PolarHBondContact NH2-OE1 3.49Å; R72-E84 IonicContact NH2-OE2 2.68Å; R72-E84 PolarHBondContact NH2-OE2 3.43Å; R72-G134 PolarHBondContact NH1-O 2.95Å |
| 73 | L | 95.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.2 | -179 | -179.6 | 59.7 | 0 | 0 | 0 | 110.8 | A32 V40 V42 Y55 T66 W68 L85 | A32-L73 HydrophobicContact CB-CD1 3.37Å; A32-L73 HydrophobicContact CB-CD2 4.2Å; A32-L73 HydrophobicContact CB-CG 4.45Å; V40-L73 HydrophobicContact CG1-CD2 4.32Å; V42-L73 HydrophobicContact CG2-CD2 3.37Å; Y55-L73 HydrophobicContact CE2-CD2 4.44Å; T66-L73 WeakPolarHBondContact OG1-CD1 3.37Å; W68-L73 HydrophobicContact CD2-CB 4.46Å; W68-L73 HydrophobicContact CD2-CD1 3.98Å; W68-L73 HydrophobicContact CE3-CB 3.85Å; W68-L73 HydrophobicContact CE3-CD1 4.22Å; W68-L73 HydrophobicContact CH2-CB 4.03Å; W68-L73 HydrophobicContact CH2-CD1 4.41Å; W68-L73 HydrophobicContact CH2-CD2 4.22Å; W68-L73 HydrophobicContact CH2-CG 4.46Å; W68-L73 HydrophobicContact CZ2-CD1 4.16Å; W68-L73 HydrophobicContact CZ2-CD2 4.37Å; W68-L73 HydrophobicContact CZ3-CB 3.63Å; W68-L73 HydrophobicContact CZ3-CD1 4.46Å; W68-L73 HydrophobicContact CZ3-CG 4.46Å; L73-L85 HydrophobicContact CB-CB 4.2Å; L73-L85 HydrophobicContact CD2-CB 3.92Å; L73-L85 HydrophobicContact CD2-CD1 4.02Å; L73-L85 HydrophobicContact CG-CB 3.95Å; L73-L85 HydrophobicContact CG-CD1 4.11Å; L73-L85 HydrophobicContact CG-CG 4.45Å; L73-L85 PolarHBondContact O-N 3.12Å |
| 74 | F | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158.7 | 178.1 | -53.7 | -85.7 | 0 | 0 | 0 | 112.9 | T66 F67 Y69 R72 L82 L83 E84 A95 F136 | T66-F74 VanDerWaalsContact CA-O 3.27Å; T66-F74 WeakPolarHBondContact CA-O 3.23Å; T66-F74 PolarHBondContact OG1-O 3.08Å; F67-F74 HydrophobicContact CD1-CB 4.36Å; F67-F74 HydrophobicContact CD2-CB 4.45Å; F67-F74 HydrophobicContact CD2-CD2 4.4Å; F67-F74 HydrophobicContact CE1-CB 3.9Å; F67-F74 HydrophobicContact CE2-CB 3.99Å; F67-F74 AromaticContact CE2-CD2 3.92Å; F67-F74 HydrophobicContact CE2-CD2 3.92Å; F67-F74 HydrophobicContact CE2-CG 4.26Å; F67-F74 HydrophobicContact CZ-CB 3.71Å; F67-F74 HydrophobicContact CZ-CD2 4.4Å; F67-F74 HydrophobicContact CZ-CG 4.29Å; F67-F74 PolarHBondContact N-O 3.34Å; F67-F74 PolarHBondContact O-N 3.49Å; Y69-F74 HydrophobicContact CD1-CE2 4.49Å; R72-F74 HydrophobicContact CB-CD2 4.42Å; R72-F74 HydrophobicContact CB-CE2 3.41Å; R72-F74 VanDerWaalsContact CB-CE2 3.41Å; R72-F74 HydrophobicContact CB-CZ 3.5Å; R72-F74 HydrophobicContact CG-CZ 4.42Å; F74-L82 HydrophobicContact CB-CD1 3.8Å; F74-L82 HydrophobicContact CB-CG 4.27Å; F74-L82 HydrophobicContact CD1-CD1 4.49Å; F74-L82 HydrophobicContact CD1-CD2 4.15Å; F74-L82 HydrophobicContact CD1-CG 4.03Å; F74-L82 HydrophobicContact CG-CD1 4.38Å; F74-L82 HydrophobicContact CG-CD2 4.45Å; F74-L82 HydrophobicContact CG-CG 4.38Å; F74-L83 CarbonylContact C-O 3.46Å; F74-L83 WeakPolarHBondContact CA-O 3.36Å; F74-L83 WeakPolarHBondContact CB-O 3.31Å; F74-E84 HydrophobicContact CD1-CB 3.92Å; F74-E84 HydrophobicContact CD1-CG 4.37Å; F74-E84 HydrophobicContact CE1-CB 3.74Å; F74-E84 HydrophobicContact CE1-CG 3.92Å; F74-A95 HydrophobicContact CD1-CB 4.35Å; F74-A95 HydrophobicContact CE1-CB 3.98Å; F74-F136 HydrophobicContact CD1-CE2 4.31Å; F74-F136 AromaticContact CE1-CE2 3.55Å; F74-F136 HydrophobicContact CE1-CE2 3.55Å; F74-F136 HydrophobicContact CE1-CZ 4.07Å; F74-F136 HydrophobicContact CE2-CE2 4.25Å; F74-F136 AromaticContact CE2-CZ 3.91Å; F74-F136 HydrophobicContact CE2-CZ 3.91Å; F74-F136 AromaticContact CZ-CE2 3.5Å; F74-F136 HydrophobicContact CZ-CE2 3.5Å; F74-F136 AromaticContact CZ-CZ 3.58Å; F74-F136 HydrophobicContact CZ-CZ 3.58Å |
| 75 | C | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 165.2 | 162.5 | 66.6 | 0 | 0 | 0 | 0 | 110 | V40 V65 L83 L85 | V40-C75 HydrophobicContact CG2-CB 4.14Å; V65-C75 VanDerWaalsContact O-CA 3.26Å; V65-C75 WeakPolarHBondContact O-CA 3.42Å; V65-C75 VanDerWaalsContact O-CB 3.3Å; V65-C75 WeakPolarHBondContact O-CB 3.45Å; C75-L83 PolarHBondContact N-O 3.33Å; C75-L83 PolarHBondContact O-N 3.05Å; C75-L85 HydrophobicContact CB-CD1 4.39Å |
| 76 | F | 90.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 26.9 Ų | 26.9 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 151.3 | 171.9 | -58.8 | -43.4 | 0 | 0 | 0 | 111.5 | Q62 V65 F67 L82 V103 V106 F117 | Q62-F76 CarbonylContact C-O 3.56Å; Q62-F76 VanDerWaalsContact C-O 3.23Å; Q62-F76 CarbonylContact O-C 3.58Å; Q62-F76 VanDerWaalsContact O-C 3.3Å; V65-F76 HydrophobicContact CB-CD2 3.65Å; V65-F76 HydrophobicContact CB-CE2 3.56Å; V65-F76 HydrophobicContact CG1-CD2 4.36Å; V65-F76 HydrophobicContact CG1-CE2 3.82Å; V65-F76 HydrophobicContact CG1-CZ 4.43Å; V65-F76 HydrophobicContact CG2-CD2 4.1Å; V65-F76 HydrophobicContact CG2-CE2 3.93Å; V65-F76 PolarHBondContact O-N 2.86Å; F67-F76 HydrophobicContact CE1-CE1 4.09Å; F67-F76 HydrophobicContact CE1-CZ 4.41Å; F76-L82 HydrophobicContact CD1-CD1 4.13Å; F76-L82 HydrophobicContact CE1-CD1 4.25Å; F76-V103 HydrophobicContact CD1-CB 4.44Å; F76-V103 HydrophobicContact CD1-CG1 4.27Å; F76-V103 HydrophobicContact CD2-CG1 4.34Å; F76-V103 HydrophobicContact CE1-CB 4.27Å; F76-V103 HydrophobicContact CE1-CG1 3.63Å; F76-V103 HydrophobicContact CE2-CB 4.36Å; F76-V103 HydrophobicContact CE2-CG1 3.72Å; F76-V103 HydrophobicContact CZ-CB 4.24Å; F76-V103 HydrophobicContact CZ-CG1 3.33Å; F76-V106 HydrophobicContact CZ-CB 4.09Å; F76-V106 HydrophobicContact CZ-CG1 4.45Å; F76-F117 AromaticContact CE1-CD1 3.64Å; F76-F117 HydrophobicContact CE1-CD1 3.64Å; F76-F117 AromaticContact CE1-CE1 3.61Å; F76-F117 HydrophobicContact CE1-CE1 3.61Å; F76-F117 AromaticContact CZ-CD1 3.77Å; F76-F117 HydrophobicContact CZ-CD1 3.77Å; F76-F117 HydrophobicContact CZ-CE1 4Å |
| 77 | G | 85.6 | Confident | 91.2 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 14% | 0.144 | 16% | 0.155 | C | C | . | . | trans | -120.1 | -166.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S81 | G77-S81 VanDerWaalsContact C-OG 3.31Å; G77-S81 WeakPolarHBondContact CA-O 3.45Å; G77-S81 VanDerWaalsContact CA-OG 3.27Å; G77-S81 WeakPolarHBondContact CA-OG 3.42Å; G77-S81 PolarHBondContact N-O 3.05Å | ||
| 78 | A | 81.7 | Confident | 91.1 | Very high | 31 Ų | 31 | 33 Ų | 33 | 26% | 0.256 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -66.5 | 149.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G80 S81 | A78-G80 VanDerWaalsContact C-N 3.28Å; A78-G80 PolarHBondContact O-N 2.9Å; A78-S81 PolarHBondContact N-OG 3.05Å; A78-S81 WeakPolarHBondContact O-CB 3.27Å; A78-S81 PolarHBondContact O-N 3.15Å; A78-S81 PolarHBondContact O-OG 3.15Å |
| 79 | E | 83.7 | Confident | 91 | Very high | 131 Ų | 131 | 34.3 Ų | 34.3 | 61% | 0.612 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | 56.6 | 38.3 | 162.6 | -61.7 | 169.6 | -158.4 | 0 | 0 | 113.6 | S81 | E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 3.43Å |
| 80 | G | 83.4 | Confident | 90.9 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 77.7 | 6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | A78 L98 | A78-G80 VanDerWaalsContact C-N 3.28Å; A78-G80 PolarHBondContact O-N 2.9Å; G80-L98 WeakPolarHBondContact O-CB 3.3Å; G80-L98 PolarHBondContact O-N 2.92Å |
| 81 | S | 90.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.7 | 174 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | G77 A78 E79 | G77-S81 VanDerWaalsContact C-OG 3.31Å; G77-S81 WeakPolarHBondContact CA-O 3.45Å; G77-S81 VanDerWaalsContact CA-OG 3.27Å; G77-S81 WeakPolarHBondContact CA-OG 3.42Å; G77-S81 PolarHBondContact N-O 3.05Å; A78-S81 PolarHBondContact N-OG 3.05Å; A78-S81 WeakPolarHBondContact O-CB 3.27Å; A78-S81 PolarHBondContact O-N 3.15Å; A78-S81 PolarHBondContact O-OG 3.15Å; E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 3.43Å |
| 82 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114 | 167.9 | -176.3 | 64.7 | 0 | 0 | 0 | 107.8 | F67 F74 F76 A95 M96 F117 F136 | F67-L82 HydrophobicContact CE1-CD1 3.76Å; F67-L82 HydrophobicContact CZ-CD1 3.6Å; F67-L82 HydrophobicContact CZ-CD2 4.43Å; F74-L82 HydrophobicContact CB-CD1 3.8Å; F74-L82 HydrophobicContact CB-CG 4.27Å; F74-L82 HydrophobicContact CD1-CD1 4.49Å; F74-L82 HydrophobicContact CD1-CD2 4.15Å; F74-L82 HydrophobicContact CD1-CG 4.03Å; F74-L82 HydrophobicContact CG-CD1 4.38Å; F74-L82 HydrophobicContact CG-CD2 4.45Å; F74-L82 HydrophobicContact CG-CG 4.38Å; F76-L82 HydrophobicContact CD1-CD1 4.13Å; F76-L82 HydrophobicContact CE1-CD1 4.25Å; L82-A95 PolarHBondContact O-N 3.09Å; L82-M96 HydrophobicContact CB-CG 3.81Å; L82-M96 HydrophobicContact CD2-CG 4.08Å; L82-M96 HydrophobicContact CD2-SD 4.18Å; L82-M96 PolarHBondContact N-O 3.27Å; L82-F117 HydrophobicContact CD2-CZ 4.29Å; L82-F136 HydrophobicContact CD2-CD2 4.11Å; L82-F136 HydrophobicContact CD2-CE2 3.82Å; L82-F136 HydrophobicContact CD2-CZ 4.32Å |
| 83 | L | 94.2 | Very high | 91.2 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.7 | 179.7 | -58 | -179.5 | 0 | 0 | 0 | 109.9 | T57 F74 C75 P92 S93 V94 | T57-L83 HydrophobicContact CG2-CD1 4.05Å; F74-L83 CarbonylContact C-O 3.46Å; F74-L83 WeakPolarHBondContact CA-O 3.36Å; F74-L83 WeakPolarHBondContact CB-O 3.31Å; C75-L83 PolarHBondContact N-O 3.33Å; C75-L83 PolarHBondContact O-N 3.05Å; L83-P92 HydrophobicContact CB-CB 4.44Å; L83-P92 HydrophobicContact CD1-CB 4.42Å; L83-S93 CarbonylContact C-O 3.5Å; L83-S93 WeakPolarHBondContact CA-O 3.2Å; L83-V94 HydrophobicContact CD2-CG2 3.83Å |
| 84 | E | 95.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.1 | 169.2 | 179.7 | 164.4 | -158.3 | 0 | 0 | 110.8 | R72 F74 P92 S93 A95 | R72-E84 IonicContact CZ-OE1 3.53Å; R72-E84 IonicContact CZ-OE2 2.97Å; R72-E84 IonicContact NE-OE1 2.63Å; R72-E84 PolarHBondContact NE-OE1 3.43Å; R72-E84 IonicContact NE-OE2 2.6Å; R72-E84 VanDerWaalsContact NH2-CD 3.27Å; R72-E84 IonicContact NH2-OE1 2.69Å; R72-E84 PolarHBondContact NH2-OE1 3.49Å; R72-E84 IonicContact NH2-OE2 2.68Å; R72-E84 PolarHBondContact NH2-OE2 3.43Å; F74-E84 HydrophobicContact CD1-CB 3.92Å; F74-E84 HydrophobicContact CD1-CG 4.37Å; F74-E84 HydrophobicContact CE1-CB 3.74Å; F74-E84 HydrophobicContact CE1-CG 3.92Å; E84-P92 WeakPolarHBondContact O-CA 3.43Å; E84-S93 PolarHBondContact N-O 2.74Å; E84-S93 PolarHBondContact O-N 2.86Å; E84-A95 HydrophobicContact CB-CB 4.11Å |
| 85 | L | 95.2 | Very high | 91 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | -112.6 | 78 | -176.6 | -55.5 | -175.9 | 0 | 0 | 0 | 109.8 | V40 Y55 L73 C75 P92 | V40-L85 HydrophobicContact CB-CD1 3.62Å; V40-L85 HydrophobicContact CG1-CD1 3.57Å; V40-L85 HydrophobicContact CG2-CD1 3.82Å; Y55-L85 HydrophobicContact CD1-CB 4.32Å; Y55-L85 HydrophobicContact CD1-CD2 4.17Å; Y55-L85 HydrophobicContact CD2-CB 4.12Å; Y55-L85 HydrophobicContact CD2-CD1 4.08Å; Y55-L85 HydrophobicContact CE1-CB 4.14Å; Y55-L85 HydrophobicContact CE2-CB 3.94Å; Y55-L85 HydrophobicContact CG-CB 4.3Å; Y55-L85 HydrophobicContact CG-CD1 4.3Å; Y55-L85 HydrophobicContact CG-CD2 4.09Å; Y55-L85 HydrophobicContact CG-CG 4.48Å; Y55-L85 PolarHBondContact OH-O 3.2Å; L73-L85 HydrophobicContact CB-CB 4.2Å; L73-L85 HydrophobicContact CD2-CB 3.92Å; L73-L85 HydrophobicContact CD2-CD1 4.02Å; L73-L85 HydrophobicContact CG-CB 3.95Å; L73-L85 HydrophobicContact CG-CD1 4.11Å; L73-L85 HydrophobicContact CG-CG 4.45Å; L73-L85 PolarHBondContact O-N 3.12Å; C75-L85 HydrophobicContact CB-CD1 4.39Å; L85-P92 HydrophobicContact CD2-CB 3.63Å; L85-P92 HydrophobicContact CD2-CG 3.65Å | ||
| 86 | S | 92.7 | Very high | 90.9 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | trans | -69.1 | 130.4 | -177.3 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | K53 Y55 H88 S89 | K53-S86 PolarHBondContact NZ-O 3.16Å; Y55-S86 PolarHBondContact OH-O 2.8Å; S86-H88 PolarHBondContact O-N 3.41Å; S86-H88 PolarHBondContact OG-N 3.43Å; S86-S89 PolarHBondContact O-N 2.79Å | ||
| 87 | P | 91.2 | Very high | 91 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21 | 175.1 | 24.3 | -32.9 | 0 | 0 | 0 | 113 | W52 K53 Y55 S497 | W52-P87 HydrophobicContact CH2-CB 3.38Å; W52-P87 HydrophobicContact CH2-CG 4.29Å; W52-P87 HydrophobicContact CZ2-CB 3.79Å; W52-P87 HydrophobicContact CZ3-CB 4.2Å; K53-P87 PolarHBondContact NZ-O 3.11Å; Y55-P87 WeakPolarHBondContact OH-CA 3.37Å; P87-S497 WeakPolarHBondContact O-CB 3.47Å |
| 88 | H | 91.9 | Very high | 91.2 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 6.3 | -179.8 | -49.7 | 100.2 | 0 | 0 | 0 | 114.5 | S86 C479 S497 | S86-H88 PolarHBondContact O-N 3.41Å; S86-H88 PolarHBondContact OG-N 3.43Å; H88-C479 VanDerWaalsContact O-CB 3.28Å; H88-C479 WeakPolarHBondContact O-CB 3.22Å; H88-S497 PolarHBondContact CD2-OG 2.91Å; H88-S497 VanDerWaalsContact CD2-OG 3.31Å |
| 89 | S | 92.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | trans | -139 | 135.1 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | K53 Y55 S86 R91 | K53-S89 WeakPolarHBondContact CE-O 3.22Å; K53-S89 VanDerWaalsContact NZ-C 3.3Å; K53-S89 PolarHBondContact NZ-O 3.31Å; Y55-S89 WeakPolarHBondContact CE1-O 3.41Å; S86-S89 PolarHBondContact O-N 2.79Å; S89-R91 PolarHBondContact O-N 3.45Å; S89-R91 PolarHBondContact OG-N 2.88Å; S89-R91 PolarHBondContact OG-O 2.92Å | ||
| 90 | H | 91.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -76.9 | -9.9 | 172.2 | -64.9 | -60.4 | 0 | 0 | 0 | 113.5 | F380 C432 I480 Q481 | H90-F380 AromaticContact CE1-CZ 3.58Å; H90-F380 AromaticContact ND1-CZ 3.91Å; H90-F380 AromaticContact NE2-CZ 3.72Å; H90-C432 HydrophobicContact CB-CB 3.66Å; H90-C432 PolarHBondContact CD2-O 2.83Å; H90-I480 PolarHBondContact NE2-O 2.93Å; H90-Q481 PolarHBondContact CE1-NE2 2.83Å; H90-Q481 PolarHBondContact CE1-OE1 2.75Å; H90-Q481 VanDerWaalsContact CE1-OE1 3.28Å |
| 91 | R | 91.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -102.9 | 122.3 | -177.5 | -59.5 | 179 | -168.5 | 119.4 | 7.8 | 109.5 | S89 S431 C432 D450 | S89-R91 PolarHBondContact O-N 3.45Å; S89-R91 PolarHBondContact OG-N 2.88Å; S89-R91 PolarHBondContact OG-O 2.92Å; R91-S431 PolarHBondContact NE-O 2.8Å; R91-S431 PolarHBondContact NH2-O 2.85Å; R91-C432 HydrophobicContact CG-CB 3.99Å; R91-D450 IonicContact CZ-OD1 3.35Å; R91-D450 IonicContact NH1-OD1 3.15Å; R91-D450 PolarHBondContact NH1-OD1 2.83Å; R91-D450 IonicContact NH1-OD2 3.75Å; R91-D450 IonicContact NH2-OD1 3.02Å; R91-D450 PolarHBondContact NH2-OD1 2.75Å; R91-D450 IonicContact NH2-OD2 3.96Å |
| 92 | P | 92.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 51 Ų | 51 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | trans | -57.4 | 141.2 | 167 | -24.7 | 34.7 | 0 | 0 | 0 | 111.2 | L83 E84 L85 | L83-P92 HydrophobicContact CB-CB 4.44Å; L83-P92 HydrophobicContact CD1-CB 4.42Å; E84-P92 WeakPolarHBondContact O-CA 3.43Å; L85-P92 HydrophobicContact CD2-CB 3.63Å; L85-P92 HydrophobicContact CD2-CG 3.65Å | ||
| 93 | S | 92.4 | Very high | 91 | Very high | 56 Ų | 56 | 52 Ų | 52 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.1 | 173.8 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | L83 E84 A95 | L83-S93 CarbonylContact C-O 3.5Å; L83-S93 WeakPolarHBondContact CA-O 3.2Å; E84-S93 PolarHBondContact N-O 2.74Å; E84-S93 PolarHBondContact O-N 2.86Å; S93-A95 PolarHBondContact O-N 3.34Å |
| 94 | V | 93.1 | Very high | 90.9 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.1 | 174 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L83 | L83-V94 HydrophobicContact CD2-CG2 3.83Å |
| 95 | A | 92.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 26% | 0.256 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F74 L82 E84 S93 F136 | F74-A95 HydrophobicContact CD1-CB 4.35Å; F74-A95 HydrophobicContact CE1-CB 3.98Å; L82-A95 PolarHBondContact O-N 3.09Å; E84-A95 HydrophobicContact CB-CB 4.11Å; S93-A95 PolarHBondContact O-N 3.34Å; A95-F136 HydrophobicContact CB-CD2 4.23Å; A95-F136 HydrophobicContact CB-CE2 4.3Å |
| 96 | M | 93.2 | Very high | 91 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 169.1 | 172.5 | 71.6 | -177 | -51.6 | 0 | 0 | 110.2 | L82 L98 V127 F136 | L82-M96 HydrophobicContact CB-CG 3.81Å; L82-M96 HydrophobicContact CD2-CG 4.08Å; L82-M96 HydrophobicContact CD2-SD 4.18Å; L82-M96 PolarHBondContact N-O 3.27Å; M96-L98 HydrophobicContact CE-CD2 3.98Å; M96-L98 HydrophobicContact SD-CD2 3.95Å; M96-V127 HydrophobicContact CE-CG1 3.9Å; M96-V127 HydrophobicContact CE-CG2 4.06Å; M96-V127 HydrophobicContact SD-CG1 3.67Å; M96-V127 HydrophobicContact SD-CG2 4.27Å; M96-F136 HydrophobicContact CB-CB 4.38Å; M96-F136 HydrophobicContact CE-CB 3.96Å; M96-F136 HydrophobicContact CG-CB 4.34Å; M96-F136 HydrophobicContact SD-CB 3.41Å; M96-F136 WeakPolarHBondContact SD-CB 3.47Å; M96-F136 HydrophobicContact SD-CD2 4.15Å; M96-F136 HydrophobicContact SD-CG 3.86Å |
| 97 | T | 93 | Very high | 91.1 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.3 | 165.8 | -58 | 0 | 0 | 0 | 0 | 108.3 | ||
| 98 | L | 90.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -71.3 | 149.1 | 178.2 | -67.1 | 166.8 | 0 | 0 | 0 | 110.3 | G80 M96 S100 V103 F117 V127 | G80-L98 WeakPolarHBondContact O-CB 3.3Å; G80-L98 PolarHBondContact O-N 2.92Å; M96-L98 HydrophobicContact CE-CD2 3.98Å; M96-L98 HydrophobicContact SD-CD2 3.95Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.28Å; L98-V103 HydrophobicContact CD1-CG1 4.49Å; L98-V103 HydrophobicContact CD1-CG2 3.67Å; L98-F117 HydrophobicContact CD1-CB 4.13Å; L98-F117 HydrophobicContact CD1-CD1 4.06Å; L98-F117 HydrophobicContact CD1-CD2 3.91Å; L98-F117 HydrophobicContact CD1-CE1 4.45Å; L98-F117 HydrophobicContact CD1-CE2 4.29Å; L98-F117 HydrophobicContact CD1-CG 3.77Å; L98-F117 HydrophobicContact CD2-CD2 3.78Å; L98-F117 HydrophobicContact CD2-CE2 4.04Å; L98-F117 HydrophobicContact CD2-CG 4.42Å; L98-V127 HydrophobicContact CD2-CG2 3.66Å | ||
| 99 | P | 85.4 | Confident | 91.5 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -61 | -39 | 179 | -23.9 | 34 | 0 | 0 | 0 | 113.3 | ||
| 100 | S | 83.8 | Confident | 91.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -82.5 | 138.6 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | L98 S119 N125 | L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.28Å; S100-S119 WeakPolarHBondContact CB-OG 3.43Å; S100-N125 WeakPolarHBondContact CB-ND2 3.34Å; S100-N125 PolarHBondContact OG-ND2 3.41Å |
| 101 | R | 82.4 | Confident | 91.5 | Very high | 173 Ų | 173 | 56.7 Ų | 56.7 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -82.9 | 162.5 | 167.7 | -60 | -178.5 | -177 | -173.2 | -0.3 | 109.8 | ||
| 102 | D | 85.3 | Confident | 91.4 | Very high | 96 Ų | 96 | 53.6 Ų | 53.6 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 54.6 | 57.6 | 174.6 | -54.1 | -19.7 | 0 | 0 | 0 | 113.8 | L104 K120 | D102-L104 PolarHBondContact O-N 3.23Å; D102-K120 HydrophobicContact CB-CB 3.93Å; D102-K120 HydrophobicContact CB-CD 4.45Å; D102-K120 PolarHBondContact O-N 3.46Å |
| 103 | V | 91.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.4 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | F76 L98 F117 | F76-V103 HydrophobicContact CD1-CB 4.44Å; F76-V103 HydrophobicContact CD1-CG1 4.27Å; F76-V103 HydrophobicContact CD2-CG1 4.34Å; F76-V103 HydrophobicContact CE1-CB 4.27Å; F76-V103 HydrophobicContact CE1-CG1 3.63Å; F76-V103 HydrophobicContact CE2-CB 4.36Å; F76-V103 HydrophobicContact CE2-CG1 3.72Å; F76-V103 HydrophobicContact CZ-CB 4.24Å; F76-V103 HydrophobicContact CZ-CG1 3.33Å; L98-V103 HydrophobicContact CD1-CG1 4.49Å; L98-V103 HydrophobicContact CD1-CG2 3.67Å; V103-F117 HydrophobicContact CG1-CB 3.93Å; V103-F117 HydrophobicContact CG1-CD1 4.06Å; V103-F117 HydrophobicContact CG1-CG 4.42Å |
| 104 | L | 92.5 | Very high | 91.5 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -32.6 | -173.3 | -59.7 | 179.8 | 0 | 0 | 0 | 112.4 | D102 G118 K120 | D102-L104 PolarHBondContact O-N 3.23Å; L104-G118 PolarHBondContact N-O 2.92Å; L104-K120 HydrophobicContact CD1-CB 4.04Å; L104-K120 HydrophobicContact CD1-CG 4.45Å; L104-K120 HydrophobicContact CG-CB 4.34Å |
| 105 | C | 94.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 160.7 | -176 | 63 | 0 | 0 | 0 | 0 | 112.5 | F117 G118 V149 | C105-F117 WeakPolarHBondContact O-CA 3.37Å; C105-G118 PolarHBondContact N-O 2.79Å; C105-G118 PolarHBondContact O-N 2.87Å; C105-V149 WeakPolarHBondContact CB-O 3.45Å |
| 106 | V | 96.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.1 | 174.4 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | V65 F67 F76 L115 A116 F117 | V65-V106 HydrophobicContact CG1-CG1 3.89Å; F67-V106 HydrophobicContact CB-CG1 4.16Å; F67-V106 HydrophobicContact CD1-CB 4.43Å; F67-V106 HydrophobicContact CD1-CG1 3.67Å; F67-V106 HydrophobicContact CD1-CG2 4.45Å; F67-V106 HydrophobicContact CD2-CG2 4.46Å; F67-V106 HydrophobicContact CE1-CB 4.43Å; F67-V106 HydrophobicContact CE1-CG1 4.14Å; F67-V106 HydrophobicContact CE1-CG2 4.29Å; F67-V106 HydrophobicContact CE2-CG2 4.32Å; F67-V106 HydrophobicContact CG-CG1 3.93Å; F67-V106 HydrophobicContact CZ-CG2 4.2Å; F76-V106 HydrophobicContact CZ-CB 4.09Å; F76-V106 HydrophobicContact CZ-CG1 4.45Å; V106-L115 HydrophobicContact CG2-CD2 4.48Å; V106-A116 CarbonylContact C-O 3.49Å; V106-A116 VanDerWaalsContact CA-O 3.29Å; V106-A116 WeakPolarHBondContact CA-O 3.47Å; V106-F117 HydrophobicContact CB-CD1 3.86Å; V106-F117 HydrophobicContact CB-CE1 3.87Å; V106-F117 HydrophobicContact CG2-CD1 3.76Å; V106-F117 HydrophobicContact CG2-CE1 3.42Å; V106-F117 VanDerWaalsContact CG2-CE1 3.42Å; V106-F117 HydrophobicContact CG2-CZ 4.15Å |
| 107 | A | 96.5 | Very high | 92 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A116 L151 W153 | A107-A116 PolarHBondContact N-O 3.37Å; A107-A116 PolarHBondContact O-N 3.27Å; A107-L151 HydrophobicContact CB-CB 3.53Å; A107-W153 PolarHBondContact O-NE1 3.44Å |
| 108 | K | 95.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 43 Ų | 43 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.7 | -176.7 | -57.5 | -177.5 | -83.1 | -179.5 | 0 | 108.9 | E23 W68 L115 | E23-K108 VanDerWaalsContact CD-NZ 3.32Å; E23-K108 IonicContact OE1-NZ 3.4Å; E23-K108 PolarHBondContact OE1-NZ 3.32Å; E23-K108 IonicContact OE2-NZ 2.89Å; E23-K108 PolarHBondContact OE2-NZ 3.08Å; W68-K108 WeakPolarHBondContact O-CD 3.29Å; W68-K108 PolarHBondContact O-NZ 3.17Å; K108-L115 HydrophobicContact CB-CD2 4.38Å; K108-L115 HydrophobicContact CD-CD2 4.16Å; K108-L115 HydrophobicContact CG-CD2 3.56Å |
| 109 | S | 95.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | trans | -59.4 | 149.5 | 165.4 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | D111 G112 T113 V114 D157 | S109-D111 VanDerWaalsContact C-N 3.29Å; S109-D111 WeakPolarHBondContact CB-OD1 3.17Å; S109-D111 PolarHBondContact O-N 3.46Å; S109-D111 PolarHBondContact OG-OD1 3.17Å; S109-G112 WeakPolarHBondContact O-CA 3.42Å; S109-G112 PolarHBondContact O-N 3.38Å; S109-T113 PolarHBondContact OG-N 2.84Å; S109-V114 PolarHBondContact N-O 3.44Å; S109-V114 PolarHBondContact OG-N 3.39Å; S109-V114 PolarHBondContact OG-O 2.9Å; S109-D157 VanDerWaalsContact CA-OD1 3.24Å; S109-D157 WeakPolarHBondContact CA-OD1 3.32Å; S109-D157 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 110 | T | 92.5 | Very high | 92.7 | Very high | 84 Ų | 84 | 44 Ų | 44 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.2 | -179.6 | 66.7 | 0 | 0 | 0 | 0 | 113 | G112 R155 D157 | T110-G112 PolarHBondContact O-N 2.96Å; T110-R155 PolarHBondContact OG1-O 3.17Å; T110-D157 WeakPolarHBondContact CA-OD2 3.35Å; T110-D157 WeakPolarHBondContact CB-OD2 3.47Å; T110-D157 PolarHBondContact N-OD1 2.86Å; T110-D157 PolarHBondContact N-OD2 2.98Å; T110-D157 PolarHBondContact OG1-OD1 2.82Å; T110-D157 PolarHBondContact OG1-OD2 2.91Å |
| 111 | D | 91 | Very high | 93.2 | Very high | 96 Ų | 96 | 48.1 Ų | 48.1 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.1 | 169.1 | 75.3 | -8.6 | 0 | 0 | 0 | 113.4 | S109 T113 D157 | S109-D111 VanDerWaalsContact C-N 3.29Å; S109-D111 WeakPolarHBondContact CB-OD1 3.17Å; S109-D111 PolarHBondContact O-N 3.46Å; S109-D111 PolarHBondContact OG-OD1 3.17Å; D111-T113 VanDerWaalsContact C-N 3.31Å; D111-T113 HydrophobicContact CB-CG2 4.38Å; D111-T113 PolarHBondContact O-N 3.29Å; D111-T113 PolarHBondContact OD1-N 2.53Å; D111-T113 PolarHBondContact OD1-OG1 2.88Å; D111-T113 VanDerWaalsContact OD2-CG2 3.3Å; D111-T113 WeakPolarHBondContact OD2-CG2 3.28Å; D111-T113 PolarHBondContact OD2-OG1 2.89Å; D111-D157 PolarHBondContact N-OD2 2.9Å |
| 112 | G | 90.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 74.2 | 12.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y69 S109 T110 | Y69-G112 WeakPolarHBondContact CE2-O 3.3Å; S109-G112 WeakPolarHBondContact O-CA 3.42Å; S109-G112 PolarHBondContact O-N 3.38Å; T110-G112 PolarHBondContact O-N 2.96Å |
| 113 | T | 91.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 36 Ų | 36 | 44% | 0.436 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -88.1 | -29 | -176.2 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | Y69 S109 D111 | Y69-T113 PolarHBondContact OH-O 2.94Å; S109-T113 PolarHBondContact OG-N 2.84Å; D111-T113 VanDerWaalsContact C-N 3.31Å; D111-T113 HydrophobicContact CB-CG2 4.38Å; D111-T113 PolarHBondContact O-N 3.29Å; D111-T113 PolarHBondContact OD1-N 2.53Å; D111-T113 PolarHBondContact OD1-OG1 2.88Å; D111-T113 VanDerWaalsContact OD2-CG2 3.3Å; D111-T113 WeakPolarHBondContact OD2-CG2 3.28Å; D111-T113 PolarHBondContact OD2-OG1 2.89Å |
| 114 | V | 94.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 22% | 0.218 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.6 | -173.3 | -175.5 | 0 | 0 | 0 | 0 | 112 | S109 F126 W153 | S109-V114 PolarHBondContact N-O 3.44Å; S109-V114 PolarHBondContact OG-N 3.39Å; S109-V114 PolarHBondContact OG-O 2.9Å; V114-F126 HydrophobicContact CG1-CB 4.21Å; V114-F126 HydrophobicContact CG1-CD1 3.89Å; V114-W153 HydrophobicContact CB-CH2 4.33Å; V114-W153 HydrophobicContact CB-CZ2 4.45Å; V114-W153 HydrophobicContact CG1-CH2 4.17Å; V114-W153 HydrophobicContact CG1-CZ2 4.14Å |
| 115 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.9 | 168.3 | -61.5 | 179.7 | 0 | 0 | 0 | 109.5 | F67 Y69 V106 K108 F117 F126 V127 F136 | F67-L115 HydrophobicContact CE2-CD1 3.93Å; F67-L115 HydrophobicContact CE2-CD2 4.37Å; F67-L115 HydrophobicContact CZ-CD1 4.41Å; Y69-L115 HydrophobicContact CD1-CD1 4.49Å; Y69-L115 HydrophobicContact CD2-CD1 4.13Å; Y69-L115 HydrophobicContact CD2-CD2 3.48Å; Y69-L115 VanDerWaalsContact CD2-CD2 3.48Å; Y69-L115 HydrophobicContact CD2-CG 3.86Å; Y69-L115 HydrophobicContact CE2-CD1 4.4Å; Y69-L115 HydrophobicContact CE2-CD2 3.9Å; Y69-L115 HydrophobicContact CE2-CG 3.9Å; Y69-L115 HydrophobicContact CG-CD1 4.14Å; Y69-L115 HydrophobicContact CG-CD2 4.17Å; Y69-L115 HydrophobicContact CG-CG 4.39Å; V106-L115 HydrophobicContact CG2-CD2 4.48Å; K108-L115 HydrophobicContact CB-CD2 4.38Å; K108-L115 HydrophobicContact CD-CD2 4.16Å; K108-L115 HydrophobicContact CG-CD2 3.56Å; L115-F117 HydrophobicContact CB-CD2 4.44Å; L115-F117 HydrophobicContact CB-CE2 3.71Å; L115-F117 HydrophobicContact CB-CZ 3.93Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 3.78Å; L115-F117 HydrophobicContact CG-CZ 4.45Å; L115-F126 CarbonylContact O-C 3.52Å; L115-F126 VanDerWaalsContact O-CA 3.28Å; L115-F126 WeakPolarHBondContact O-CA 3.33Å; L115-V127 HydrophobicContact CB-CB 4.44Å; L115-V127 PolarHBondContact N-O 3.49Å; L115-V127 PolarHBondContact O-N 3.25Å; L115-F136 HydrophobicContact CD1-CE1 3.74Å; L115-F136 HydrophobicContact CD1-CZ 4.13Å |
| 116 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V106 A107 I124 N125 F126 L151 W153 L160 | V106-A116 CarbonylContact C-O 3.49Å; V106-A116 VanDerWaalsContact CA-O 3.29Å; V106-A116 WeakPolarHBondContact CA-O 3.47Å; A107-A116 PolarHBondContact N-O 3.37Å; A107-A116 PolarHBondContact O-N 3.27Å; A116-I124 HydrophobicContact CB-CG2 4.15Å; A116-N125 CarbonylContact C-O 3.5Å; A116-N125 WeakPolarHBondContact CA-O 3.26Å; A116-F126 HydrophobicContact CB-CD1 4.09Å; A116-F126 HydrophobicContact CB-CE1 3.99Å; A116-F126 HydrophobicContact CB-CZ 4.47Å; A116-L151 HydrophobicContact CB-CD1 4.06Å; A116-W153 HydrophobicContact CB-CZ2 4.01Å; A116-L160 HydrophobicContact CB-CD2 4.28Å |
| 117 | F | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.2 | -179.2 | -64.2 | -74.9 | 0 | 0 | 0 | 110.5 | F67 F76 L82 L98 V103 C105 V106 L115 I124 N125 V127 | F67-F117 HydrophobicContact CE1-CE1 4.05Å; F67-F117 AromaticContact CZ-CE1 3.72Å; F67-F117 HydrophobicContact CZ-CE1 3.72Å; F67-F117 AromaticContact CZ-CZ 3.89Å; F67-F117 HydrophobicContact CZ-CZ 3.89Å; F76-F117 AromaticContact CE1-CD1 3.64Å; F76-F117 HydrophobicContact CE1-CD1 3.64Å; F76-F117 AromaticContact CE1-CE1 3.61Å; F76-F117 HydrophobicContact CE1-CE1 3.61Å; F76-F117 AromaticContact CZ-CD1 3.77Å; F76-F117 HydrophobicContact CZ-CD1 3.77Å; F76-F117 HydrophobicContact CZ-CE1 4Å; L82-F117 HydrophobicContact CD2-CZ 4.29Å; L98-F117 HydrophobicContact CD1-CB 4.13Å; L98-F117 HydrophobicContact CD1-CD1 4.06Å; L98-F117 HydrophobicContact CD1-CD2 3.91Å; L98-F117 HydrophobicContact CD1-CE1 4.45Å; L98-F117 HydrophobicContact CD1-CE2 4.29Å; L98-F117 HydrophobicContact CD1-CG 3.77Å; L98-F117 HydrophobicContact CD2-CD2 3.78Å; L98-F117 HydrophobicContact CD2-CE2 4.04Å; L98-F117 HydrophobicContact CD2-CG 4.42Å; V103-F117 HydrophobicContact CG1-CB 3.93Å; V103-F117 HydrophobicContact CG1-CD1 4.06Å; V103-F117 HydrophobicContact CG1-CG 4.42Å; C105-F117 WeakPolarHBondContact O-CA 3.37Å; V106-F117 HydrophobicContact CB-CD1 3.86Å; V106-F117 HydrophobicContact CB-CE1 3.87Å; V106-F117 HydrophobicContact CG2-CD1 3.76Å; V106-F117 HydrophobicContact CG2-CE1 3.42Å; V106-F117 VanDerWaalsContact CG2-CE1 3.42Å; V106-F117 HydrophobicContact CG2-CZ 4.15Å; L115-F117 HydrophobicContact CB-CD2 4.44Å; L115-F117 HydrophobicContact CB-CE2 3.71Å; L115-F117 HydrophobicContact CB-CZ 3.93Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 3.78Å; L115-F117 HydrophobicContact CG-CZ 4.45Å; F117-I124 CarbonylContact O-C 3.54Å; F117-I124 VanDerWaalsContact O-CA 3.28Å; F117-I124 WeakPolarHBondContact O-CA 3.22Å; F117-N125 HydrophobicContact CB-CB 4.47Å; F117-N125 PolarHBondContact N-O 2.84Å; F117-N125 PolarHBondContact O-N 3.42Å; F117-V127 HydrophobicContact CD2-CB 4.35Å; F117-V127 HydrophobicContact CD2-CG2 3.85Å; F117-V127 HydrophobicContact CE2-CB 3.89Å; F117-V127 HydrophobicContact CE2-CG2 3.76Å |
| 118 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L104 C105 | L104-G118 PolarHBondContact N-O 2.92Å; C105-G118 PolarHBondContact N-O 2.79Å; C105-G118 PolarHBondContact O-N 2.87Å |
| 119 | S | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 162.7 | -178.6 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | S100 D121 G122 T123 V148 | S100-S119 WeakPolarHBondContact CB-OG 3.43Å; S119-D121 WeakPolarHBondContact CB-OD1 2.95Å; S119-D121 PolarHBondContact O-N 2.97Å; S119-D121 PolarHBondContact OG-OD1 3.29Å; S119-G122 PolarHBondContact O-N 3.04Å; S119-T123 PolarHBondContact N-O 2.79Å; S119-T123 WeakPolarHBondContact OG-CB 3.47Å; S119-T123 PolarHBondContact OG-N 3.02Å; S119-T123 PolarHBondContact OG-O 2.88Å; S119-V148 PolarHBondContact O-N 3.24Å |
| 120 | K | 93.5 | Very high | 94.1 | Very high | 123 Ų | 123 | 34.8 Ų | 34.8 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.3 | 176.8 | -168.2 | 177.7 | 178.5 | -179.2 | 0 | 113.3 | D102 L104 G122 S147 | D102-K120 HydrophobicContact CB-CB 3.93Å; D102-K120 HydrophobicContact CB-CD 4.45Å; D102-K120 PolarHBondContact O-N 3.46Å; L104-K120 HydrophobicContact CD1-CB 4.04Å; L104-K120 HydrophobicContact CD1-CG 4.45Å; L104-K120 HydrophobicContact CG-CB 4.34Å; K120-G122 PolarHBondContact O-N 3.43Å; K120-S147 WeakPolarHBondContact CG-OG 3.27Å; K120-S147 WeakPolarHBondContact O-CA 3.28Å; K120-S147 WeakPolarHBondContact O-CB 3.43Å; K120-S147 PolarHBondContact O-OG 3.45Å |
| 121 | D | 92.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.7 | 177.7 | 67.1 | 10.5 | 0 | 0 | 0 | 114.3 | S119 T123 | S119-D121 WeakPolarHBondContact CB-OD1 2.95Å; S119-D121 PolarHBondContact O-N 2.97Å; S119-D121 PolarHBondContact OG-OD1 3.29Å; D121-T123 VanDerWaalsContact OD1-CB 3.23Å; D121-T123 WeakPolarHBondContact OD1-CB 3.27Å; D121-T123 PolarHBondContact OD1-N 2.83Å; D121-T123 PolarHBondContact OD1-OG1 3.22Å |
| 122 | G | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 86.5 | 2.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | S119 K120 V144 D146 | S119-G122 PolarHBondContact O-N 3.04Å; K120-G122 PolarHBondContact O-N 3.43Å; G122-V144 WeakPolarHBondContact CA-O 3.23Å; G122-V144 PolarHBondContact O-N 3.39Å; G122-D146 VanDerWaalsContact CA-O 3.27Å; G122-D146 WeakPolarHBondContact CA-O 3.4Å |
| 123 | T | 95.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.3 | 176.3 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | S119 D121 N125 N141 L142 | S119-T123 PolarHBondContact N-O 2.79Å; S119-T123 WeakPolarHBondContact OG-CB 3.47Å; S119-T123 PolarHBondContact OG-N 3.02Å; S119-T123 PolarHBondContact OG-O 2.88Å; D121-T123 VanDerWaalsContact OD1-CB 3.23Å; D121-T123 WeakPolarHBondContact OD1-CB 3.27Å; D121-T123 PolarHBondContact OD1-N 2.83Å; D121-T123 PolarHBondContact OD1-OG1 3.22Å; T123-N125 WeakPolarHBondContact CG2-ND2 3.05Å; T123-N141 HydrophobicContact CG2-CB 4.09Å; T123-L142 WeakPolarHBondContact CA-O 3.49Å |
| 124 | I | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 109.6 | 165.7 | -55.7 | 171.1 | 0 | 0 | 0 | 107.2 | A116 F117 F126 N141 L142 V144 V148 L151 L160 | A116-I124 HydrophobicContact CB-CG2 4.15Å; F117-I124 CarbonylContact O-C 3.54Å; F117-I124 VanDerWaalsContact O-CA 3.28Å; F117-I124 WeakPolarHBondContact O-CA 3.22Å; I124-F126 HydrophobicContact CB-CE2 4.29Å; I124-F126 HydrophobicContact CG2-CD2 4.3Å; I124-F126 HydrophobicContact CG2-CE2 3.66Å; I124-F126 HydrophobicContact CG2-CZ 4Å; I124-N141 CarbonylContact O-C 3.58Å; I124-N141 WeakPolarHBondContact O-CA 3.47Å; I124-L142 HydrophobicContact CB-CB 4.25Å; I124-L142 PolarHBondContact N-O 2.9Å; I124-L142 PolarHBondContact O-N 2.74Å; I124-V144 HydrophobicContact CD1-CG2 3.88Å; I124-V144 HydrophobicContact CG1-CG2 4.32Å; I124-V148 HydrophobicContact CD1-CG2 4.38Å; I124-V148 HydrophobicContact CG1-CG1 4.27Å; I124-V148 HydrophobicContact CG1-CG2 3.92Å; I124-L151 HydrophobicContact CD1-CD2 3.91Å; I124-L151 HydrophobicContact CG1-CD2 4.34Å; I124-L151 HydrophobicContact CG2-CD1 4.18Å; I124-L151 HydrophobicContact CG2-CD2 4.41Å; I124-L160 HydrophobicContact CD1-CD2 4.4Å; I124-L160 HydrophobicContact CG2-CD2 4.02Å |
| 125 | N | 95.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.8 | 178.7 | -69.6 | -82.7 | 0 | 0 | 0 | 110.3 | S100 A116 F117 T123 | S100-N125 WeakPolarHBondContact CB-ND2 3.34Å; S100-N125 PolarHBondContact OG-ND2 3.41Å; A116-N125 CarbonylContact C-O 3.5Å; A116-N125 WeakPolarHBondContact CA-O 3.26Å; F117-N125 HydrophobicContact CB-CB 4.47Å; F117-N125 PolarHBondContact N-O 2.84Å; F117-N125 PolarHBondContact O-N 3.42Å; T123-N125 WeakPolarHBondContact CG2-ND2 3.05Å |
| 126 | F | 96.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.4 | 173.8 | -64.4 | -104 | 0 | 0 | 0 | 109.4 | V114 L115 A116 I124 G139 M140 L142 W153 L160 L173 | V114-F126 HydrophobicContact CG1-CB 4.21Å; V114-F126 HydrophobicContact CG1-CD1 3.89Å; L115-F126 CarbonylContact O-C 3.52Å; L115-F126 VanDerWaalsContact O-CA 3.28Å; L115-F126 WeakPolarHBondContact O-CA 3.33Å; A116-F126 HydrophobicContact CB-CD1 4.09Å; A116-F126 HydrophobicContact CB-CE1 3.99Å; A116-F126 HydrophobicContact CB-CZ 4.47Å; I124-F126 HydrophobicContact CB-CE2 4.29Å; I124-F126 HydrophobicContact CG2-CD2 4.3Å; I124-F126 HydrophobicContact CG2-CE2 3.66Å; I124-F126 HydrophobicContact CG2-CZ 4Å; F126-G139 WeakPolarHBondContact O-CA 3.37Å; F126-G139 PolarHBondContact O-N 2.82Å; F126-M140 HydrophobicContact CB-CG 4Å; F126-M140 WeakPolarHBondContact CB-O 3.43Å; F126-M140 HydrophobicContact CD2-CG 3.58Å; F126-M140 WeakPolarHBondContact CD2-O 3.47Å; F126-M140 HydrophobicContact CE2-CG 4.2Å; F126-M140 HydrophobicContact CG-CG 3.83Å; F126-M140 PolarHBondContact N-O 3.1Å; F126-L142 HydrophobicContact CE2-CD1 3.77Å; F126-L142 HydrophobicContact CE2-CG 3.82Å; F126-L142 HydrophobicContact CZ-CD1 3.84Å; F126-L142 HydrophobicContact CZ-CG 4.4Å; F126-W153 HydrophobicContact CD1-CH2 4.07Å; F126-W153 AromaticContact CD1-CZ2 3.96Å; F126-W153 HydrophobicContact CD1-CZ2 3.96Å; F126-W153 AromaticContact CE1-CH2 3.76Å; F126-W153 HydrophobicContact CE1-CH2 3.76Å; F126-W153 AromaticContact CE1-CZ2 3.67Å; F126-W153 HydrophobicContact CE1-CZ2 3.67Å; F126-L160 HydrophobicContact CE1-CD2 3.97Å; F126-L160 HydrophobicContact CZ-CD2 3.53Å; F126-L173 HydrophobicContact CE1-CD1 4.25Å; F126-L173 HydrophobicContact CE1-CD2 3.88Å; F126-L173 HydrophobicContact CZ-CD2 3.62Å |
| 127 | V | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139.2 | -176.5 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | M96 L98 L115 F117 F136 V137 | M96-V127 HydrophobicContact CE-CG1 3.9Å; M96-V127 HydrophobicContact CE-CG2 4.06Å; M96-V127 HydrophobicContact SD-CG1 3.67Å; M96-V127 HydrophobicContact SD-CG2 4.27Å; L98-V127 HydrophobicContact CD2-CG2 3.66Å; L115-V127 HydrophobicContact CB-CB 4.44Å; L115-V127 PolarHBondContact N-O 3.49Å; L115-V127 PolarHBondContact O-N 3.25Å; F117-V127 HydrophobicContact CD2-CB 4.35Å; F117-V127 HydrophobicContact CD2-CG2 3.85Å; F117-V127 HydrophobicContact CE2-CB 3.89Å; F117-V127 HydrophobicContact CE2-CG2 3.76Å; V127-F136 HydrophobicContact CG1-CB 3.72Å; V127-F136 HydrophobicContact CG1-CD1 3.6Å; V127-F136 HydrophobicContact CG1-CG 3.96Å; V127-V137 WeakPolarHBondContact CA-O 3.5Å; V127-V137 WeakPolarHBondContact CG1-O 3.5Å |
| 128 | F | 93.7 | Very high | 92.8 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.368 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 164.1 | 175.2 | 59 | -85.2 | 0 | 0 | 0 | 109.9 | F136 V137 | F128-F136 WeakPolarHBondContact O-CA 3.32Å; F128-V137 HydrophobicContact CD2-CB 4.24Å; F128-V137 HydrophobicContact CE1-CB 4.09Å; F128-V137 HydrophobicContact CE1-CG1 3.97Å; F128-V137 HydrophobicContact CE2-CB 3.71Å; F128-V137 HydrophobicContact CE2-CG1 4.01Å; F128-V137 HydrophobicContact CE2-CG2 4.25Å; F128-V137 HydrophobicContact CZ-CB 3.63Å; F128-V137 HydrophobicContact CZ-CG1 3.47Å; F128-V137 VanDerWaalsContact CZ-CG1 3.47Å; F128-V137 PolarHBondContact N-O 3.25Å; F128-V137 PolarHBondContact O-N 2.94Å |
| 129 | L | 92.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.5 | 175.1 | -167.6 | 74.6 | 0 | 0 | 0 | 109.6 | Y69 L70 E131 G134 F136 | Y69-L129 HydrophobicContact CE1-CB 3.92Å; Y69-L129 HydrophobicContact CE1-CD2 4.33Å; L70-L129 HydrophobicContact CD1-CD2 3.71Å; L129-E131 PolarHBondContact O-N 3.32Å; L129-G134 WeakPolarHBondContact CD1-O 3.5Å; L129-F136 HydrophobicContact CD1-CD1 4.1Å; L129-F136 HydrophobicContact CD1-CE1 4.19Å; L129-F136 HydrophobicContact CD1-CG 4.42Å |
| 130 | D | 91.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.1 | 165.4 | 172 | 2.8 | 0 | 0 | 0 | 108.6 | A132 T133 G134 Q135 V137 | D130-A132 VanDerWaalsContact C-N 3.25Å; D130-A132 PolarHBondContact O-N 2.84Å; D130-A132 WeakPolarHBondContact OD1-CB 3.37Å; D130-A132 PolarHBondContact OD1-N 2.62Å; D130-T133 WeakPolarHBondContact CB-OG1 3.03Å; D130-T133 PolarHBondContact O-N 3.01Å; D130-T133 VanDerWaalsContact OD2-CG2 3.28Å; D130-T133 WeakPolarHBondContact OD2-CG2 3.23Å; D130-T133 PolarHBondContact OD2-OG1 3.19Å; D130-G134 VanDerWaalsContact O-CA 3.32Å; D130-G134 WeakPolarHBondContact O-CA 3.21Å; D130-G134 PolarHBondContact O-N 2.91Å; D130-Q135 PolarHBondContact N-O 2.81Å; D130-V137 HydrophobicContact CB-CG2 3.79Å |
| 131 | E | 87.9 | Confident | 92.6 | Very high | 189 Ų | 189 | 54.4 Ų | 54.4 | 88% | 0.883 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -30.2 | -178.3 | -63.6 | -171.5 | 162.6 | 0 | 0 | 113 | L129 | L129-E131 PolarHBondContact O-N 3.32Š|
| 132 | A | 91.4 | Very high | 92.6 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 79% | 0.793 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -37.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D130 | D130-A132 VanDerWaalsContact C-N 3.25Å; D130-A132 PolarHBondContact O-N 2.84Å; D130-A132 WeakPolarHBondContact OD1-CB 3.37Å; D130-A132 PolarHBondContact OD1-N 2.62Å |
| 133 | T | 90.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -20.2 | -177.9 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | D130 Q135 | D130-T133 WeakPolarHBondContact CB-OG1 3.03Å; D130-T133 PolarHBondContact O-N 3.01Å; D130-T133 VanDerWaalsContact OD2-CG2 3.28Å; D130-T133 WeakPolarHBondContact OD2-CG2 3.23Å; D130-T133 PolarHBondContact OD2-OG1 3.19Å; T133-Q135 PolarHBondContact O-N 2.99Å; T133-Q135 PolarHBondContact OG1-N 3.37Å |
| 134 | G | 86 | Confident | 92.3 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 14.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R72 L129 D130 | R72-G134 PolarHBondContact NH1-O 2.95Å; L129-G134 WeakPolarHBondContact CD1-O 3.5Å; D130-G134 VanDerWaalsContact O-CA 3.32Å; D130-G134 WeakPolarHBondContact O-CA 3.21Å; D130-G134 PolarHBondContact O-N 2.91Å |
| 135 | Q | 88.6 | Confident | 91.8 | Very high | 137 Ų | 137 | 61.1 Ų | 61.1 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 152.4 | -178.5 | -62.8 | -172.2 | -5.1 | 0 | 0 | 111.4 | D130 T133 | D130-Q135 PolarHBondContact N-O 2.81Å; T133-Q135 PolarHBondContact O-N 2.99Å; T133-Q135 PolarHBondContact OG1-N 3.37Å |
| 136 | F | 92.6 | Very high | 91.6 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 9% | 0.088 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 138.8 | 175 | -74.1 | -67.8 | 0 | 0 | 0 | 111.2 | Y69 F74 L82 A95 M96 L115 V127 F128 L129 | Y69-F136 AromaticContact CD1-CE1 3.86Å; Y69-F136 HydrophobicContact CD1-CE1 3.86Å; Y69-F136 AromaticContact CD1-CZ 3.91Å; Y69-F136 HydrophobicContact CD1-CZ 3.91Å; Y69-F136 AromaticContact CE1-CE1 3.71Å; Y69-F136 HydrophobicContact CE1-CE1 3.71Å; Y69-F136 HydrophobicContact CE1-CZ 4.2Å; F74-F136 HydrophobicContact CD1-CE2 4.31Å; F74-F136 AromaticContact CE1-CE2 3.55Å; F74-F136 HydrophobicContact CE1-CE2 3.55Å; F74-F136 HydrophobicContact CE1-CZ 4.07Å; F74-F136 HydrophobicContact CE2-CE2 4.25Å; F74-F136 AromaticContact CE2-CZ 3.91Å; F74-F136 HydrophobicContact CE2-CZ 3.91Å; F74-F136 AromaticContact CZ-CE2 3.5Å; F74-F136 HydrophobicContact CZ-CE2 3.5Å; F74-F136 AromaticContact CZ-CZ 3.58Å; F74-F136 HydrophobicContact CZ-CZ 3.58Å; L82-F136 HydrophobicContact CD2-CD2 4.11Å; L82-F136 HydrophobicContact CD2-CE2 3.82Å; L82-F136 HydrophobicContact CD2-CZ 4.32Å; A95-F136 HydrophobicContact CB-CD2 4.23Å; A95-F136 HydrophobicContact CB-CE2 4.3Å; M96-F136 HydrophobicContact CB-CB 4.38Å; M96-F136 HydrophobicContact CE-CB 3.96Å; M96-F136 HydrophobicContact CG-CB 4.34Å; M96-F136 HydrophobicContact SD-CB 3.41Å; M96-F136 WeakPolarHBondContact SD-CB 3.47Å; M96-F136 HydrophobicContact SD-CD2 4.15Å; M96-F136 HydrophobicContact SD-CG 3.86Å; L115-F136 HydrophobicContact CD1-CE1 3.74Å; L115-F136 HydrophobicContact CD1-CZ 4.13Å; V127-F136 HydrophobicContact CG1-CB 3.72Å; V127-F136 HydrophobicContact CG1-CD1 3.6Å; V127-F136 HydrophobicContact CG1-CG 3.96Å; F128-F136 WeakPolarHBondContact O-CA 3.32Å; L129-F136 HydrophobicContact CD1-CD1 4.1Å; L129-F136 HydrophobicContact CD1-CE1 4.19Å; L129-F136 HydrophobicContact CD1-CG 4.42Å |
| 137 | V | 92.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.4 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V127 F128 D130 | V127-V137 WeakPolarHBondContact CA-O 3.5Å; V127-V137 WeakPolarHBondContact CG1-O 3.5Å; F128-V137 HydrophobicContact CD2-CB 4.24Å; F128-V137 HydrophobicContact CE1-CB 4.09Å; F128-V137 HydrophobicContact CE1-CG1 3.97Å; F128-V137 HydrophobicContact CE2-CB 3.71Å; F128-V137 HydrophobicContact CE2-CG1 4.01Å; F128-V137 HydrophobicContact CE2-CG2 4.25Å; F128-V137 HydrophobicContact CZ-CB 3.63Å; F128-V137 HydrophobicContact CZ-CG1 3.47Å; F128-V137 VanDerWaalsContact CZ-CG1 3.47Å; F128-V137 PolarHBondContact N-O 3.25Å; F128-V137 PolarHBondContact O-N 2.94Å; D130-V137 HydrophobicContact CB-CG2 3.79Å |
| 138 | A | 92.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 139 | G | 91.1 | Very high | 91.7 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -124.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F126 | F126-G139 WeakPolarHBondContact O-CA 3.37Å; F126-G139 PolarHBondContact O-N 2.82Å |
| 140 | M | 93.5 | Very high | 91.9 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 30% | 0.296 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 168.3 | 177.6 | 72.6 | 179.3 | 86.2 | 0 | 0 | 112.4 | F126 R176 | F126-M140 HydrophobicContact CB-CG 4Å; F126-M140 WeakPolarHBondContact CB-O 3.43Å; F126-M140 HydrophobicContact CD2-CG 3.58Å; F126-M140 WeakPolarHBondContact CD2-O 3.47Å; F126-M140 HydrophobicContact CE2-CG 4.2Å; F126-M140 HydrophobicContact CG-CG 3.83Å; F126-M140 PolarHBondContact N-O 3.1Å; M140-R176 HydrophobicContact SD-CG 3.92Å; M140-R176 PolarHBondContact SD-NE 3.04Å; M140-R176 VanDerWaalsContact SD-NE 3.35Å |
| 141 | N | 94 | Very high | 92.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 157.2 | 165.1 | 61.8 | 11.9 | 0 | 0 | 0 | 111.3 | T123 I124 | T123-N141 HydrophobicContact CG2-CB 4.09Å; I124-N141 CarbonylContact O-C 3.58Å; I124-N141 WeakPolarHBondContact O-CA 3.47Å |
| 142 | L | 94.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.7 | 165.6 | -59.4 | 172.3 | 0 | 0 | 0 | 108.5 | T123 I124 F126 W171 L173 R176 | T123-L142 WeakPolarHBondContact CA-O 3.49Å; I124-L142 HydrophobicContact CB-CB 4.25Å; I124-L142 PolarHBondContact N-O 2.9Å; I124-L142 PolarHBondContact O-N 2.74Å; F126-L142 HydrophobicContact CE2-CD1 3.77Å; F126-L142 HydrophobicContact CE2-CG 3.82Å; F126-L142 HydrophobicContact CZ-CD1 3.84Å; F126-L142 HydrophobicContact CZ-CG 4.4Å; L142-W171 HydrophobicContact CD1-CB 4.18Å; L142-W171 HydrophobicContact CD1-CD2 3.99Å; L142-W171 HydrophobicContact CD1-CE3 4.04Å; L142-W171 HydrophobicContact CD1-CG 4.04Å; L142-W171 HydrophobicContact CD2-CE3 4.42Å; L142-L173 HydrophobicContact CD1-CD2 4.11Å; L142-R176 HydrophobicContact CD2-CB 3.73Å; L142-R176 HydrophobicContact CD2-CG 4.2Å |
| 143 | H | 92.4 | Very high | 93 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130 | 178.1 | -66.6 | -73.8 | 0 | 0 | 0 | 110.4 | ||
| 144 | V | 90.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -114.1 | 151.8 | 173.1 | -163.4 | 0 | 0 | 0 | 0 | 107.8 | G122 I124 D146 V148 W171 | G122-V144 WeakPolarHBondContact CA-O 3.23Å; G122-V144 PolarHBondContact O-N 3.39Å; I124-V144 HydrophobicContact CD1-CG2 3.88Å; I124-V144 HydrophobicContact CG1-CG2 4.32Å; V144-D146 VanDerWaalsContact C-N 3.26Å; V144-D146 PolarHBondContact O-N 2.79Å; V144-V148 HydrophobicContact CB-CG2 4.14Å; V144-V148 HydrophobicContact CG2-CG2 3.85Å; V144-W171 HydrophobicContact CG2-CZ2 3.78Å | ||
| 145 | A | 85.6 | Confident | 93.7 | Very high | 100 Ų | 100 | 47.4 Ų | 47.4 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.7 | -27.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 146 | D | 90.5 | Very high | 94 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -126.7 | 166.9 | -173.2 | -70.3 | -57.9 | 0 | 0 | 0 | 111.6 | G122 V144 V148 | G122-D146 VanDerWaalsContact CA-O 3.27Å; G122-D146 WeakPolarHBondContact CA-O 3.4Å; V144-D146 VanDerWaalsContact C-N 3.26Å; V144-D146 PolarHBondContact O-N 2.79Å; D146-V148 PolarHBondContact O-N 3.05Å |
| 147 | S | 94.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | trans | -51.1 | 128.2 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | K120 V149 S164 | K120-S147 WeakPolarHBondContact CG-OG 3.27Å; K120-S147 WeakPolarHBondContact O-CA 3.28Å; K120-S147 WeakPolarHBondContact O-CB 3.43Å; K120-S147 PolarHBondContact O-OG 3.45Å; S147-V149 PolarHBondContact O-N 2.86Å; S147-S164 WeakPolarHBondContact O-CA 3.32Å; S147-S164 WeakPolarHBondContact O-CB 2.92Å | ||
| 148 | V | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -87.2 | 107.1 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | S119 I124 V144 D146 L151 | S119-V148 PolarHBondContact O-N 3.24Å; I124-V148 HydrophobicContact CD1-CG2 4.38Å; I124-V148 HydrophobicContact CG1-CG1 4.27Å; I124-V148 HydrophobicContact CG1-CG2 3.92Å; V144-V148 HydrophobicContact CB-CG2 4.14Å; V144-V148 HydrophobicContact CG2-CG2 3.85Å; D146-V148 PolarHBondContact O-N 3.05Å; V148-L151 HydrophobicContact CG1-CD1 4.48Å; V148-L151 HydrophobicContact CG1-CD2 3.75Å; V148-L151 HydrophobicContact CG1-CG 3.91Å | ||
| 149 | V | 96.6 | Very high | 94.6 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | trans | -95.6 | -29.3 | -173.5 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | C105 S147 G163 V194 Y196 | C105-V149 WeakPolarHBondContact CB-O 3.45Å; S147-V149 PolarHBondContact O-N 2.86Å; V149-G163 PolarHBondContact N-O 2.77Å; V149-V194 HydrophobicContact CB-CG1 4.49Å; V149-V194 HydrophobicContact CG1-CG1 4.29Å; V149-V194 HydrophobicContact CG2-CG1 4.08Å; V149-Y196 HydrophobicContact CG1-CD1 3.99Å | ||
| 150 | S | 97.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.6 | 179.2 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | S162 G163 V195 Y196 | S150-S162 WeakPolarHBondContact O-CA 3.33Å; S150-G163 PolarHBondContact N-O 3.26Å; S150-G163 PolarHBondContact O-N 3.2Å; S150-V195 PolarHBondContact OG-O 2.78Å; S150-Y196 WeakPolarHBondContact CB-O 3.37Å |
| 151 | L | 98.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.5 | 178.6 | -72.9 | 174.2 | 0 | 0 | 0 | 109.6 | A107 A116 I124 V148 L160 A161 | A107-L151 HydrophobicContact CB-CB 3.53Å; A116-L151 HydrophobicContact CB-CD1 4.06Å; I124-L151 HydrophobicContact CD1-CD2 3.91Å; I124-L151 HydrophobicContact CG1-CD2 4.34Å; I124-L151 HydrophobicContact CG2-CD1 4.18Å; I124-L151 HydrophobicContact CG2-CD2 4.41Å; V148-L151 HydrophobicContact CG1-CD1 4.48Å; V148-L151 HydrophobicContact CG1-CD2 3.75Å; V148-L151 HydrophobicContact CG1-CG 3.91Å; L151-L160 HydrophobicContact CD2-CD1 4.37Å; L151-L160 HydrophobicContact CD2-CD2 4.03Å; L151-L160 HydrophobicContact CD2-CG 4.21Å; L151-A161 CarbonylContact C-O 3.59Å; L151-A161 VanDerWaalsContact CA-O 3.31Å; L151-A161 WeakPolarHBondContact CA-O 3.22Å |
| 152 | A | 97.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 37 Ų | 37 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 132.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A161 L198 F200 L206 | A152-A161 PolarHBondContact N-O 3.49Å; A152-A161 PolarHBondContact O-N 3.17Å; A152-L198 HydrophobicContact CB-CB 3.7Å; A152-F200 HydrophobicContact CB-CD2 3.96Å; A152-F200 HydrophobicContact CB-CE2 4.19Å; A152-F200 WeakPolarHBondContact O-CE2 3.08Å; A152-L206 HydrophobicContact CB-CD1 4.4Å |
| 153 | W | 97.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 142.7 | 172.2 | -68.4 | 81.7 | 0 | 0 | 0 | 110.1 | A107 V114 A116 F126 D157 L160 L173 F200 | A107-W153 PolarHBondContact O-NE1 3.44Å; V114-W153 HydrophobicContact CB-CH2 4.33Å; V114-W153 HydrophobicContact CB-CZ2 4.45Å; V114-W153 HydrophobicContact CG1-CH2 4.17Å; V114-W153 HydrophobicContact CG1-CZ2 4.14Å; A116-W153 HydrophobicContact CB-CZ2 4.01Å; F126-W153 HydrophobicContact CD1-CH2 4.07Å; F126-W153 AromaticContact CD1-CZ2 3.96Å; F126-W153 HydrophobicContact CD1-CZ2 3.96Å; F126-W153 AromaticContact CE1-CH2 3.76Å; F126-W153 HydrophobicContact CE1-CH2 3.76Å; F126-W153 AromaticContact CE1-CZ2 3.67Å; F126-W153 HydrophobicContact CE1-CZ2 3.67Å; W153-D157 HydrophobicContact CE3-CB 3.98Å; W153-D157 HydrophobicContact CZ3-CB 4.12Å; W153-L160 HydrophobicContact CD2-CD1 3.9Å; W153-L160 HydrophobicContact CG-CD1 3.89Å; W153-L160 HydrophobicContact CZ2-CD1 4.43Å; W153-L173 HydrophobicContact CE3-CD1 3.7Å; W153-L173 HydrophobicContact CH2-CD1 3.33Å; W153-L173 HydrophobicContact CZ2-CD1 4.3Å; W153-L173 HydrophobicContact CZ3-CD1 2.98Å; W153-L173 HydrophobicContact CZ3-CG 4.48Å; W153-F200 VanDerWaalsContact C-CD2 3.44Å; W153-F200 WeakPolarHBondContact O-CD2 3.37Å |
| 154 | N | 96.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | trans | -74.2 | 166 | 166.4 | 80.1 | -23.8 | 0 | 0 | 0 | 110.4 | S156 D157 E158 L159 F200 | N154-S156 PolarHBondContact ND2-OG 2.91Å; N154-S156 PolarHBondContact O-N 3.18Å; N154-S156 VanDerWaalsContact O-N 3.12Å; N154-S156 PolarHBondContact OD1-OG 3.06Å; N154-D157 PolarHBondContact O-N 2.92Å; N154-D157 VanDerWaalsContact O-N 3.14Å; N154-D157 PolarHBondContact OD1-N 3.01Å; N154-D157 VanDerWaalsContact OD1-N 3.1Å; N154-E158 PolarHBondContact OD1-N 2.79Å; N154-L159 HydrophobicContact CB-CB 4.06Å; N154-L159 PolarHBondContact N-O 3.26Å; N154-L159 PolarHBondContact OD1-N 2.92Å; N154-L159 PolarHBondContact OD1-O 2.95Å; N154-F200 HydrophobicContact CB-CD1 3.8Å; N154-F200 HydrophobicContact CB-CD2 4.2Å; N154-F200 HydrophobicContact CB-CE1 3.7Å; N154-F200 HydrophobicContact CB-CE2 4.1Å; N154-F200 HydrophobicContact CB-CG 4.05Å; N154-F200 HydrophobicContact CB-CZ 3.85Å | ||
| 155 | R | 93.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 32.8 Ų | 32.8 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.7 | -172.4 | -74.5 | 178 | 177.6 | 174.1 | -5.7 | 115 | T110 M201 Q203 N244 | T110-R155 PolarHBondContact OG1-O 3.17Å; R155-M201 PolarHBondContact NH2-O 3.03Å; R155-Q203 VanDerWaalsContact C-NE2 3.33Å; R155-Q203 HydrophobicContact CB-CG 4.31Å; R155-N244 PolarHBondContact NH2-O 3.37Å |
| 156 | S | 95.5 | Very high | 96 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 32% | 0.322 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -2.6 | 177.1 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | N154 E158 Q203 | N154-S156 PolarHBondContact ND2-OG 2.91Å; N154-S156 PolarHBondContact O-N 3.18Å; N154-S156 VanDerWaalsContact O-N 3.12Å; N154-S156 PolarHBondContact OD1-OG 3.06Å; S156-E158 PolarHBondContact O-N 3.46Å; S156-Q203 PolarHBondContact OG-OE1 2.88Å; S156-Q203 VanDerWaalsContact OG-OE1 3.11Å |
| 157 | D | 96.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 59.6 | 15 | -173.1 | -64.3 | -41 | 0 | 0 | 0 | 115.9 | S109 T110 D111 W153 N154 | S109-D157 VanDerWaalsContact CA-OD1 3.24Å; S109-D157 WeakPolarHBondContact CA-OD1 3.32Å; S109-D157 WeakPolarHBondContact CB-OD1 3.34Å; T110-D157 WeakPolarHBondContact CA-OD2 3.35Å; T110-D157 WeakPolarHBondContact CB-OD2 3.47Å; T110-D157 PolarHBondContact N-OD1 2.86Å; T110-D157 PolarHBondContact N-OD2 2.98Å; T110-D157 PolarHBondContact OG1-OD1 2.82Å; T110-D157 PolarHBondContact OG1-OD2 2.91Å; D111-D157 PolarHBondContact N-OD2 2.9Å; W153-D157 HydrophobicContact CE3-CB 3.98Å; W153-D157 HydrophobicContact CZ3-CB 4.12Å; N154-D157 PolarHBondContact O-N 2.92Å; N154-D157 VanDerWaalsContact O-N 3.14Å; N154-D157 PolarHBondContact OD1-N 3.01Å; N154-D157 VanDerWaalsContact OD1-N 3.1Å |
| 158 | E | 96.1 | Very high | 96.3 | Very high | 131 Ų | 131 | 25.3 Ų | 25.3 | 61% | 0.612 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -84.9 | -29.7 | 178.3 | -64.3 | -176.8 | 173.2 | 0 | 0 | 112.6 | N154 S156 L173 | N154-E158 PolarHBondContact OD1-N 2.79Å; S156-E158 PolarHBondContact O-N 3.46Å; E158-L173 PolarHBondContact O-N 2.88Å |
| 159 | L | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 12% | 0.115 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.7 | -177.4 | -54.6 | 180 | 0 | 0 | 0 | 111.8 | N154 I170 W171 R172 L179 | N154-L159 HydrophobicContact CB-CB 4.06Å; N154-L159 PolarHBondContact N-O 3.26Å; N154-L159 PolarHBondContact OD1-N 2.92Å; N154-L159 PolarHBondContact OD1-O 2.95Å; L159-I170 HydrophobicContact CB-CG2 4.44Å; L159-I170 HydrophobicContact CD1-CG2 4.19Å; L159-I170 HydrophobicContact CD2-CG2 4.5Å; L159-W171 CarbonylContact C-O 3.54Å; L159-W171 WeakPolarHBondContact CA-O 3.41Å; L159-R172 HydrophobicContact CD2-CB 4.16Å; L159-R172 HydrophobicContact CD2-CG 4.43Å; L159-L179 HydrophobicContact CD2-CD1 3.69Å |
| 160 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.4 | 167.8 | -175.9 | 72.6 | 0 | 0 | 0 | 109.3 | A116 I124 F126 L151 W153 W171 L173 | A116-L160 HydrophobicContact CB-CD2 4.28Å; I124-L160 HydrophobicContact CD1-CD2 4.4Å; I124-L160 HydrophobicContact CG2-CD2 4.02Å; F126-L160 HydrophobicContact CE1-CD2 3.97Å; F126-L160 HydrophobicContact CZ-CD2 3.53Å; L151-L160 HydrophobicContact CD2-CD1 4.37Å; L151-L160 HydrophobicContact CD2-CD2 4.03Å; L151-L160 HydrophobicContact CD2-CG 4.21Å; W153-L160 HydrophobicContact CD2-CD1 3.9Å; W153-L160 HydrophobicContact CG-CD1 3.89Å; W153-L160 HydrophobicContact CZ2-CD1 4.43Å; L160-W171 HydrophobicContact CB-CB 4.4Å; L160-W171 PolarHBondContact N-O 2.78Å; L160-W171 WeakPolarHBondContact O-CB 3.4Å; L160-W171 VanDerWaalsContact O-CD1 3.29Å; L160-W171 PolarHBondContact O-N 2.79Å; L160-L173 HydrophobicContact CB-CD1 4.17Å; L160-L173 HydrophobicContact CB-CD2 3.89Å; L160-L173 HydrophobicContact CB-CG 4.24Å; L160-L173 HydrophobicContact CD2-CD2 4.44Å |
| 161 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L151 A152 S169 I170 L198 F200 L206 | L151-A161 CarbonylContact C-O 3.59Å; L151-A161 VanDerWaalsContact CA-O 3.31Å; L151-A161 WeakPolarHBondContact CA-O 3.22Å; A152-A161 PolarHBondContact N-O 3.49Å; A152-A161 PolarHBondContact O-N 3.17Å; A161-S169 CarbonylContact C-O 3.53Å; A161-S169 WeakPolarHBondContact CA-O 3.39Å; A161-I170 HydrophobicContact CB-CD1 3.61Å; A161-L198 HydrophobicContact CB-CD1 4.01Å; A161-F200 HydrophobicContact CB-CE2 3.83Å; A161-F200 HydrophobicContact CB-CZ 4.17Å; A161-L206 HydrophobicContact CB-CD1 3.98Å; A161-L206 HydrophobicContact CB-CD2 3.81Å |
| 162 | S | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.4 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | S150 I168 S169 W171 | S150-S162 WeakPolarHBondContact O-CA 3.33Å; S162-I168 CarbonylContact O-C 3.59Å; S162-I168 WeakPolarHBondContact O-CA 3.5Å; S162-S169 PolarHBondContact N-O 3.46Å; S162-S169 PolarHBondContact O-N 2.82Å; S162-S169 WeakPolarHBondContact OG-CB 3.43Å; S162-W171 PolarHBondContact OG-NE1 2.85Å |
| 163 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V149 S150 L198 | V149-G163 PolarHBondContact N-O 2.77Å; S150-G163 PolarHBondContact N-O 3.26Å; S150-G163 PolarHBondContact O-N 3.2Å; G163-L198 VanDerWaalsContact N-CD1 3.3Å |
| 164 | S | 95.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | trans | -131.6 | -160.8 | 176.4 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | S147 N166 C167 V195 | S147-S164 WeakPolarHBondContact O-CA 3.32Å; S147-S164 WeakPolarHBondContact O-CB 2.92Å; S164-N166 PolarHBondContact O-N 3.44Å; S164-C167 PolarHBondContact N-O 3.44Å; S164-C167 WeakPolarHBondContact OG-CB 3.19Å; S164-V195 PolarHBondContact O-N 3.43Å; S164-V195 VanDerWaalsContact O-N 3.1Å | ||
| 165 | I | 93.5 | Very high | 95.8 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 30% | 0.303 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -71.3 | 114.4 | 169.5 | -57.8 | 171.8 | 0 | 0 | 0 | 107.9 | C167 V191 V194 | I165-C167 PolarHBondContact O-N 3.47Å; I165-C167 VanDerWaalsContact O-N 3.15Å; I165-V191 HydrophobicContact CG2-CG1 4.28Å; I165-V194 HydrophobicContact CG1-CG2 4.25Å |
| 166 | N | 91.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 38 Ų | 38 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 67.3 | 7.9 | 174.8 | -42.9 | -18.3 | 0 | 0 | 0 | 115.3 | S164 R183 L184 G192 P193 | S164-N166 PolarHBondContact O-N 3.44Å; N166-R183 CarbonylContact O-C 3.52Å; N166-R183 VanDerWaalsContact O-CA 3.32Å; N166-R183 WeakPolarHBondContact O-CA 3.49Å; N166-L184 PolarHBondContact O-N 3.33Å; N166-G192 VanDerWaalsContact CG-N 3.33Å; N166-G192 PolarHBondContact ND2-N 2.88Å; N166-G192 WeakPolarHBondContact OD1-CA 3.18Å; N166-G192 PolarHBondContact OD1-N 2.83Å; N166-G192 PolarHBondContact OD1-O 2.88Å; N166-P193 WeakPolarHBondContact CA-O 3.3Å; N166-P193 PolarHBondContact N-O 3.04Å; N166-P193 VanDerWaalsContact OD1-N 3.08Å; N166-P193 PolarHBondContact OD1-O 3.18Å |
| 167 | C | 94.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140.3 | -174.1 | -168 | 0 | 0 | 0 | 0 | 111.9 | S164 I165 S181 F182 | S164-C167 PolarHBondContact N-O 3.44Å; S164-C167 WeakPolarHBondContact OG-CB 3.19Å; I165-C167 PolarHBondContact O-N 3.47Å; I165-C167 VanDerWaalsContact O-N 3.15Å; C167-S181 PolarHBondContact SG-OG 3.47Å; C167-F182 VanDerWaalsContact CA-O 3.29Å; C167-F182 WeakPolarHBondContact CA-O 3.46Å |
| 168 | I | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.9 | 160.7 | -61.9 | 167.9 | 0 | 0 | 0 | 106.5 | S162 I170 S181 F182 L184 V195 L198 L206 W218 | S162-I168 CarbonylContact O-C 3.59Å; S162-I168 WeakPolarHBondContact O-CA 3.5Å; I168-I170 HydrophobicContact CG2-CD1 4.07Å; I168-S181 CarbonylContact O-C 3.55Å; I168-S181 WeakPolarHBondContact O-CA 3.33Å; I168-F182 HydrophobicContact CB-CB 4.3Å; I168-F182 HydrophobicContact CB-CD2 4Å; I168-F182 HydrophobicContact CG2-CD2 4.01Å; I168-F182 PolarHBondContact N-O 2.86Å; I168-F182 PolarHBondContact O-N 3.48Å; I168-L184 HydrophobicContact CD1-CD1 4.07Å; I168-L184 HydrophobicContact CD1-CD2 4.5Å; I168-L184 HydrophobicContact CG1-CD1 3.88Å; I168-V195 HydrophobicContact CD1-CG1 4.16Å; I168-V195 HydrophobicContact CD1-CG2 4.24Å; I168-V195 HydrophobicContact CG1-CB 4.4Å; I168-V195 HydrophobicContact CG1-CG1 4.03Å; I168-V195 HydrophobicContact CG1-CG2 3.84Å; I168-L198 HydrophobicContact CD1-CD2 4.02Å; I168-L198 HydrophobicContact CG1-CD2 4.32Å; I168-L198 HydrophobicContact CG2-CD1 4.46Å; I168-L198 HydrophobicContact CG2-CD2 4.42Å; I168-L206 HydrophobicContact CG2-CD2 3.75Å; I168-W218 HydrophobicContact CD1-CZ2 3.82Å |
| 169 | S | 96.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | A161 S162 Y180 | A161-S169 CarbonylContact C-O 3.53Å; A161-S169 WeakPolarHBondContact CA-O 3.39Å; S162-S169 PolarHBondContact N-O 3.46Å; S162-S169 PolarHBondContact O-N 2.82Å; S162-S169 WeakPolarHBondContact OG-CB 3.43Å; S169-Y180 CarbonylContact C-O 3.57Å; S169-Y180 VanDerWaalsContact CA-O 3.31Å; S169-Y180 WeakPolarHBondContact CA-O 3.28Å |
| 170 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.9 | 176.1 | -52.9 | -57.9 | 0 | 0 | 0 | 108.3 | L159 A161 I168 C178 L179 Y180 F182 L206 T220 | L159-I170 HydrophobicContact CB-CG2 4.44Å; L159-I170 HydrophobicContact CD1-CG2 4.19Å; L159-I170 HydrophobicContact CD2-CG2 4.5Å; A161-I170 HydrophobicContact CB-CD1 3.61Å; I168-I170 HydrophobicContact CG2-CD1 4.07Å; I170-C178 CarbonylContact O-C 3.59Å; I170-C178 WeakPolarHBondContact O-CA 3.35Å; I170-L179 PolarHBondContact O-N 3.44Å; I170-Y180 HydrophobicContact CB-CD2 4.35Å; I170-Y180 PolarHBondContact N-O 2.94Å; I170-F182 HydrophobicContact CD1-CE2 4.1Å; I170-F182 HydrophobicContact CG1-CE2 3.71Å; I170-F182 HydrophobicContact CG1-CZ 4.12Å; I170-L206 HydrophobicContact CD1-CD2 3.81Å; I170-T220 HydrophobicContact CD1-CG2 3.9Å; I170-T220 HydrophobicContact CG1-CG2 4.22Å |
| 171 | W | 96.7 | Very high | 95.4 | Very high | 23 Ų | 23 | 42 Ų | 42 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131 | -174.8 | -57.7 | 90 | 0 | 0 | 0 | 110.4 | L142 V144 L159 L160 S162 L173 T177 C178 | L142-W171 HydrophobicContact CD1-CB 4.18Å; L142-W171 HydrophobicContact CD1-CD2 3.99Å; L142-W171 HydrophobicContact CD1-CE3 4.04Å; L142-W171 HydrophobicContact CD1-CG 4.04Å; L142-W171 HydrophobicContact CD2-CE3 4.42Å; V144-W171 HydrophobicContact CG2-CZ2 3.78Å; L159-W171 CarbonylContact C-O 3.54Å; L159-W171 WeakPolarHBondContact CA-O 3.41Å; L160-W171 HydrophobicContact CB-CB 4.4Å; L160-W171 PolarHBondContact N-O 2.78Å; L160-W171 WeakPolarHBondContact O-CB 3.4Å; L160-W171 VanDerWaalsContact O-CD1 3.29Å; L160-W171 PolarHBondContact O-N 2.79Å; S162-W171 PolarHBondContact OG-NE1 2.85Å; W171-L173 HydrophobicContact CB-CD2 4.41Å; W171-T177 CarbonylContact C-O 3.52Å; W171-T177 VanDerWaalsContact CA-O 3.29Å; W171-T177 WeakPolarHBondContact CA-O 3.44Å; W171-C178 HydrophobicContact CD2-CB 4.22Å; W171-C178 HydrophobicContact CE3-CB 3.75Å; W171-C178 HydrophobicContact CH2-CB 3.83Å; W171-C178 HydrophobicContact CZ2-CB 4.25Å; W171-C178 HydrophobicContact CZ3-CB 3.57Å |
| 172 | R | 96.5 | Very high | 95.2 | Very high | 95 Ų | 95 | 42.9 Ų | 42.9 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.4 | 161.9 | -171.5 | -172 | -63.1 | 133.1 | -1.2 | 108.7 | L159 S174 D175 R176 T177 L179 | L159-R172 HydrophobicContact CD2-CB 4.16Å; L159-R172 HydrophobicContact CD2-CG 4.43Å; R172-S174 VanDerWaalsContact CD-OG 3.29Å; R172-S174 WeakPolarHBondContact CD-OG 3.43Å; R172-S174 WeakPolarHBondContact CG-OG 3.19Å; R172-D175 WeakPolarHBondContact CB-OD1 3.35Å; R172-D175 IonicContact CZ-OD2 2.7Å; R172-D175 IonicContact NH1-OD2 3.03Å; R172-D175 PolarHBondContact NH1-OD2 2.89Å; R172-R176 CarbonylContact O-C 3.54Å; R172-R176 VanDerWaalsContact O-CA 3.26Å; R172-R176 WeakPolarHBondContact O-CA 3.26Å; R172-R176 PolarHBondContact O-N 2.96Å; R172-T177 PolarHBondContact N-O 3.04Å; R172-T177 PolarHBondContact O-N 2.93Å; R172-L179 HydrophobicContact CB-CD1 4.06Å; R172-L179 HydrophobicContact CB-CD2 4Å; R172-L179 HydrophobicContact CB-CG 4.02Å; R172-L179 VanDerWaalsContact CZ-CD2 3.45Å; R172-L179 VanDerWaalsContact NH2-CD2 3.33Å |
| 173 | L | 95 | Very high | 94.8 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.5 | -171.2 | -62.4 | 178.8 | 0 | 0 | 0 | 113.6 | F126 L142 W153 E158 L160 W171 D175 | F126-L173 HydrophobicContact CE1-CD1 4.25Å; F126-L173 HydrophobicContact CE1-CD2 3.88Å; F126-L173 HydrophobicContact CZ-CD2 3.62Å; L142-L173 HydrophobicContact CD1-CD2 4.11Å; W153-L173 HydrophobicContact CE3-CD1 3.7Å; W153-L173 HydrophobicContact CH2-CD1 3.33Å; W153-L173 HydrophobicContact CZ2-CD1 4.3Å; W153-L173 HydrophobicContact CZ3-CD1 2.98Å; W153-L173 HydrophobicContact CZ3-CG 4.48Å; E158-L173 PolarHBondContact O-N 2.88Å; L160-L173 HydrophobicContact CB-CD1 4.17Å; L160-L173 HydrophobicContact CB-CD2 3.89Å; L160-L173 HydrophobicContact CB-CG 4.24Å; L160-L173 HydrophobicContact CD2-CD2 4.44Å; W171-L173 HydrophobicContact CB-CD2 4.41Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 2.87Å |
| 174 | S | 93.9 | Very high | 94.4 | Very high | 107 Ų | 107 | 53.9 Ų | 53.9 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -38.1 | -179.5 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | R172 | R172-S174 VanDerWaalsContact CD-OG 3.29Å; R172-S174 WeakPolarHBondContact CD-OG 3.43Å; R172-S174 WeakPolarHBondContact CG-OG 3.19Å |
| 175 | D | 94.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 1.2 | -179.5 | 61.8 | 11.6 | 0 | 0 | 0 | 113.2 | R172 L173 T177 | R172-D175 WeakPolarHBondContact CB-OD1 3.35Å; R172-D175 IonicContact CZ-OD2 2.7Å; R172-D175 IonicContact NH1-OD2 3.03Å; R172-D175 PolarHBondContact NH1-OD2 2.89Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-D175 PolarHBondContact O-N 2.87Å; D175-T177 VanDerWaalsContact C-N 3.27Å; D175-T177 HydrophobicContact CB-CG2 4.21Å; D175-T177 VanDerWaalsContact CG-OG1 3.3Å; D175-T177 PolarHBondContact O-N 2.87Å; D175-T177 WeakPolarHBondContact OD1-CB 3.42Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.23Å; D175-T177 PolarHBondContact OD1-N 3.11Å; D175-T177 PolarHBondContact OD1-OG1 3.02Å; D175-T177 PolarHBondContact OD2-OG1 2.88Å |
| 176 | R | 94.1 | Very high | 92.5 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 31.8 | 178.6 | -54.4 | -178.5 | -170.2 | 178.6 | 2.8 | 113.5 | M140 L142 R172 | M140-R176 HydrophobicContact SD-CG 3.92Å; M140-R176 PolarHBondContact SD-NE 3.04Å; M140-R176 VanDerWaalsContact SD-NE 3.35Å; L142-R176 HydrophobicContact CD2-CB 3.73Å; L142-R176 HydrophobicContact CD2-CG 4.2Å; R172-R176 CarbonylContact O-C 3.54Å; R172-R176 VanDerWaalsContact O-CA 3.26Å; R172-R176 WeakPolarHBondContact O-CA 3.26Å; R172-R176 PolarHBondContact O-N 2.96Å |
| 177 | T | 95.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.1 | -178.5 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | W171 R172 D175 | W171-T177 CarbonylContact C-O 3.52Å; W171-T177 VanDerWaalsContact CA-O 3.29Å; W171-T177 WeakPolarHBondContact CA-O 3.44Å; R172-T177 PolarHBondContact N-O 3.04Å; R172-T177 PolarHBondContact O-N 2.93Å; D175-T177 VanDerWaalsContact C-N 3.27Å; D175-T177 HydrophobicContact CB-CG2 4.21Å; D175-T177 VanDerWaalsContact CG-OG1 3.3Å; D175-T177 PolarHBondContact O-N 2.87Å; D175-T177 WeakPolarHBondContact OD1-CB 3.42Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.23Å; D175-T177 PolarHBondContact OD1-N 3.11Å; D175-T177 PolarHBondContact OD1-OG1 3.02Å; D175-T177 PolarHBondContact OD2-OG1 2.88Å |
| 178 | C | 95.2 | Very high | 89.7 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 111.6 | 166.2 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | I170 W171 Y180 | I170-C178 CarbonylContact O-C 3.59Å; I170-C178 WeakPolarHBondContact O-CA 3.35Å; W171-C178 HydrophobicContact CD2-CB 4.22Å; W171-C178 HydrophobicContact CE3-CB 3.75Å; W171-C178 HydrophobicContact CH2-CB 3.83Å; W171-C178 HydrophobicContact CZ2-CB 4.25Å; W171-C178 HydrophobicContact CZ3-CB 3.57Å; C178-Y180 PolarHBondContact SG-O 2.74Å; C178-Y180 VanDerWaalsContact SG-O 3.34Å |
| 179 | L | 95.6 | Very high | 88.2 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -45.7 | 179.1 | -58.7 | -176.1 | 0 | 0 | 0 | 111.4 | L159 I170 R172 | L159-L179 HydrophobicContact CD2-CD1 3.69Å; I170-L179 PolarHBondContact O-N 3.44Å; R172-L179 HydrophobicContact CB-CD1 4.06Å; R172-L179 HydrophobicContact CB-CD2 4Å; R172-L179 HydrophobicContact CB-CG 4.02Å; R172-L179 VanDerWaalsContact CZ-CD2 3.45Å; R172-L179 VanDerWaalsContact NH2-CD2 3.33Å |
| 180 | Y | 95 | Very high | 86.8 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 29% | 0.286 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.4 | -174.7 | -55.3 | -67 | 0 | 0 | 0 | 110.6 | S169 I170 C178 F182 T220 S221 | S169-Y180 CarbonylContact C-O 3.57Å; S169-Y180 VanDerWaalsContact CA-O 3.31Å; S169-Y180 WeakPolarHBondContact CA-O 3.28Å; I170-Y180 HydrophobicContact CB-CD2 4.35Å; I170-Y180 PolarHBondContact N-O 2.94Å; C178-Y180 PolarHBondContact SG-O 2.74Å; C178-Y180 VanDerWaalsContact SG-O 3.34Å; Y180-F182 HydrophobicContact CG-CE1 4.24Å; Y180-F182 HydrophobicContact CG-CZ 4.27Å; Y180-T220 VanDerWaalsContact CE2-O 3.29Å; Y180-T220 WeakPolarHBondContact CE2-O 3.04Å; Y180-S221 PolarHBondContact OH-O 3.28Å |
| 181 | S | 93.8 | Very high | 85.9 | Confident | 80 Ų | 80 | 91.7 Ų | 91.7 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 97 | 173 | 173.9 | 0 | 0 | 0 | 0 | 108.3 | C167 I168 R183 | C167-S181 PolarHBondContact SG-OG 3.47Å; I168-S181 CarbonylContact O-C 3.55Å; I168-S181 WeakPolarHBondContact O-CA 3.33Å; S181-R183 PolarHBondContact O-N 2.8Å |
| 182 | F | 92.6 | Very high | 85.4 | Confident | 17 Ų | 17 | 91.1 Ų | 91.1 | 8% | 0.075 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115.8 | 177.9 | -50.9 | -47.3 | 0 | 0 | 0 | 109.5 | C167 I168 I170 Y180 L184 W218 G223 | C167-F182 VanDerWaalsContact CA-O 3.29Å; C167-F182 WeakPolarHBondContact CA-O 3.46Å; I168-F182 HydrophobicContact CB-CB 4.3Å; I168-F182 HydrophobicContact CB-CD2 4Å; I168-F182 HydrophobicContact CG2-CD2 4.01Å; I168-F182 PolarHBondContact N-O 2.86Å; I168-F182 PolarHBondContact O-N 3.48Å; I170-F182 HydrophobicContact CD1-CE2 4.1Å; I170-F182 HydrophobicContact CG1-CE2 3.71Å; I170-F182 HydrophobicContact CG1-CZ 4.12Å; Y180-F182 HydrophobicContact CG-CE1 4.24Å; Y180-F182 HydrophobicContact CG-CZ 4.27Å; F182-L184 WeakPolarHBondContact O-CD1 3.19Å; F182-W218 HydrophobicContact CB-CE3 4.12Å; F182-W218 HydrophobicContact CB-CH2 4.21Å; F182-W218 HydrophobicContact CB-CZ3 3.72Å; F182-W218 HydrophobicContact CD1-CE3 4.35Å; F182-W218 HydrophobicContact CD1-CZ3 4.5Å; F182-W218 HydrophobicContact CD2-CD2 4.12Å; F182-W218 AromaticContact CD2-CE3 3.77Å; F182-W218 HydrophobicContact CD2-CE3 3.77Å; F182-W218 HydrophobicContact CD2-CZ3 4.26Å; F182-W218 HydrophobicContact CE2-CB 4.26Å; F182-W218 HydrophobicContact CE2-CE3 4.29Å; F182-W218 AromaticContact CG-CE3 3.81Å; F182-W218 HydrophobicContact CG-CE3 3.81Å; F182-W218 AromaticContact CG-CZ3 3.91Å; F182-W218 HydrophobicContact CG-CZ3 3.91Å; F182-G223 VanDerWaalsContact CE1-CA 3.49Å; F182-G223 VanDerWaalsContact CE1-O 3.27Å; F182-G223 WeakPolarHBondContact CE1-O 3.39Å |
| 183 | R | 90.1 | Very high | 85.3 | Confident | 219 Ų | 219 | 86.9 Ų | 86.9 | 83% | 0.826 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.3 | 173.3 | -168.3 | 172.2 | -178.8 | 164 | 0.6 | 110 | N166 S181 | N166-R183 CarbonylContact O-C 3.52Å; N166-R183 VanDerWaalsContact O-CA 3.32Å; N166-R183 WeakPolarHBondContact O-CA 3.49Å; S181-R183 PolarHBondContact O-N 2.8Å |
| 184 | L | 89.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 87.3 Ų | 87.3 | 7% | 0.073 | 47% | 0.465 | C | S | . | . | trans | -97 | 148.5 | 177.1 | -64.5 | 85.6 | 0 | 0 | 0 | 110.2 | N166 I168 F182 P193 V195 W218 | N166-L184 PolarHBondContact O-N 3.33Å; I168-L184 HydrophobicContact CD1-CD1 4.07Å; I168-L184 HydrophobicContact CD1-CD2 4.5Å; I168-L184 HydrophobicContact CG1-CD1 3.88Å; F182-L184 WeakPolarHBondContact O-CD1 3.19Å; L184-P193 HydrophobicContact CB-CG 3.44Å; L184-P193 VanDerWaalsContact CB-CG 3.44Å; L184-P193 HydrophobicContact CD2-CG 4.08Å; L184-P193 HydrophobicContact CG-CG 4.41Å; L184-V195 HydrophobicContact CD1-CG2 4.02Å; L184-V195 HydrophobicContact CD2-CG2 3.86Å; L184-W218 HydrophobicContact CD1-CH2 4.48Å; L184-W218 HydrophobicContact CD2-CH2 4.46Å; L184-W218 HydrophobicContact CD2-CZ2 4.14Å; L184-W218 HydrophobicContact CG-CH2 4.11Å; L184-W218 HydrophobicContact CG-CZ2 4.26Å | ||
| 185 | G | 78.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 54% | 0.536 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 97.4 | 158.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 186 | G | 69 | Low | 85.7 | Confident | 55 Ų | 55 | 82 Ų | 82 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | trans | -76 | 164.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D188 T189 | G186-D188 PolarHBondContact O-N 3.28Å; G186-D188 VanDerWaalsContact O-N 3.08Å; G186-T189 PolarHBondContact O-N 3.4Å; G186-T189 PolarHBondContact O-OG1 3.14Å | ||
| 187 | R | 64.3 | Low | 85.9 | Confident | 255 Ų | 255 | 76.3 Ų | 76.3 | 96% | 0.962 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.4 | 176.8 | -69.2 | -176.9 | 178.3 | -177.3 | -0.7 | 113.4 | ||
| 188 | D | 63.2 | Low | 86 | Confident | 162 Ų | 162 | 74.3 Ų | 74.3 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.1 | -170.2 | -54.5 | -31.3 | 0 | 0 | 0 | 114.7 | G186 | G186-D188 PolarHBondContact O-N 3.28Å; G186-D188 VanDerWaalsContact O-N 3.08Å |
| 189 | T | 65.4 | Low | 86.2 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -101.1 | 116 | 177 | 53.2 | 0 | 0 | 0 | 0 | 111 | G186 V191 | G186-T189 PolarHBondContact O-N 3.4Å; G186-T189 PolarHBondContact O-OG1 3.14Å; T189-V191 PolarHBondContact O-N 2.95Å | ||
| 190 | E | 67.8 | Low | 86.2 | Confident | 200 Ų | 200 | 71.1 Ų | 71.1 | 94% | 0.935 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -56.6 | -37.9 | 176.7 | -72.5 | -173.8 | 162.5 | 0 | 0 | 112.4 | ||
| 191 | V | 78.8 | Confident | 86.3 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 67% | 0.667 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -126.8 | 110 | 172.9 | -171.9 | 0 | 0 | 0 | 0 | 106.8 | I165 T189 | I165-V191 HydrophobicContact CG2-CG1 4.28Å; T189-V191 PolarHBondContact O-N 2.95Å |
| 192 | G | 86.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | trans | -74.5 | -162.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | N166 | N166-G192 VanDerWaalsContact CG-N 3.33Å; N166-G192 PolarHBondContact ND2-N 2.88Å; N166-G192 WeakPolarHBondContact OD1-CA 3.18Å; N166-G192 PolarHBondContact OD1-N 2.83Å; N166-G192 PolarHBondContact OD1-O 2.88Å | ||
| 193 | P | 93.8 | Very high | 86.5 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.032 | 36% | 0.36 | C | S | . | . | trans | -80.4 | 143.4 | -175.4 | 33.4 | -34.6 | 0 | 0 | 0 | 113.6 | N166 L184 D210 S211 | N166-P193 WeakPolarHBondContact CA-O 3.3Å; N166-P193 PolarHBondContact N-O 3.04Å; N166-P193 VanDerWaalsContact OD1-N 3.08Å; N166-P193 PolarHBondContact OD1-O 3.18Å; L184-P193 HydrophobicContact CB-CG 3.44Å; L184-P193 VanDerWaalsContact CB-CG 3.44Å; L184-P193 HydrophobicContact CD2-CG 4.08Å; L184-P193 HydrophobicContact CG-CG 4.41Å; P193-D210 HydrophobicContact CB-CB 4.06Å; P193-S211 VanDerWaalsContact CA-OG 3.28Å; P193-S211 WeakPolarHBondContact CA-OG 3.41Å | ||
| 194 | V | 96 | Very high | 86.7 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 131.6 | 169.5 | -173.2 | 0 | 0 | 0 | 0 | 109 | V149 I165 Y196 D210 S211 | V149-V194 HydrophobicContact CB-CG1 4.49Å; V149-V194 HydrophobicContact CG1-CG1 4.29Å; V149-V194 HydrophobicContact CG2-CG1 4.08Å; I165-V194 HydrophobicContact CG1-CG2 4.25Å; V194-Y196 HydrophobicContact CB-CE1 4.09Å; V194-Y196 HydrophobicContact CB-CE2 4.45Å; V194-Y196 HydrophobicContact CG1-CD1 3.95Å; V194-Y196 HydrophobicContact CG1-CE1 3.71Å; V194-Y196 PolarHBondContact O-N 3.21Å; V194-D210 CarbonylContact O-C 3.56Å; V194-D210 WeakPolarHBondContact O-CA 3.07Å; V194-D210 WeakPolarHBondContact O-CB 3.42Å; V194-S211 PolarHBondContact N-OG 3.29Å; V194-S211 PolarHBondContact O-N 2.78Å |
| 195 | V | 97.6 | Very high | 87 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 96.1 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | S150 S164 I168 L184 L198 | S150-V195 PolarHBondContact OG-O 2.78Å; S164-V195 PolarHBondContact O-N 3.43Å; S164-V195 VanDerWaalsContact O-N 3.1Å; I168-V195 HydrophobicContact CD1-CG1 4.16Å; I168-V195 HydrophobicContact CD1-CG2 4.24Å; I168-V195 HydrophobicContact CG1-CB 4.4Å; I168-V195 HydrophobicContact CG1-CG1 4.03Å; I168-V195 HydrophobicContact CG1-CG2 3.84Å; L184-V195 HydrophobicContact CD1-CG2 4.02Å; L184-V195 HydrophobicContact CD2-CG2 3.86Å; V195-L198 HydrophobicContact CG1-CD2 3.77Å; V195-L198 HydrophobicContact CG1-CG 4.03Å |
| 196 | Y | 97.6 | Very high | 87.9 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -27.3 | -173.4 | -68.7 | -59.2 | 0 | 0 | 0 | 114 | V149 S150 V194 G209 E235 V236 L237 | V149-Y196 HydrophobicContact CG1-CD1 3.99Å; S150-Y196 WeakPolarHBondContact CB-O 3.37Å; V194-Y196 HydrophobicContact CB-CE1 4.09Å; V194-Y196 HydrophobicContact CB-CE2 4.45Å; V194-Y196 HydrophobicContact CG1-CD1 3.95Å; V194-Y196 HydrophobicContact CG1-CE1 3.71Å; V194-Y196 PolarHBondContact O-N 3.21Å; Y196-G209 PolarHBondContact N-O 3.05Å; Y196-E235 HydrophobicContact CD2-CB 4.48Å; Y196-E235 HydrophobicContact CE2-CB 3.91Å; Y196-E235 HydrophobicContact CE2-CG 4.12Å; Y196-E235 WeakPolarHBondContact CE2-OE2 3.36Å; Y196-E235 VanDerWaalsContact CZ-OE2 3.28Å; Y196-E235 PolarHBondContact OH-OE2 2.91Å; Y196-V236 WeakPolarHBondContact CD2-O 3.34Å; Y196-L237 HydrophobicContact CD2-CD2 3.93Å; Y196-L237 HydrophobicContact CE2-CD2 4.03Å; Y196-L237 HydrophobicContact CG-CD2 4.27Å |
| 197 | S | 97.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 142.9 | -175.4 | -174.1 | 0 | 0 | 0 | 0 | 112 | S208 G209 L237 V239 | S197-S208 WeakPolarHBondContact O-CA 3.4Å; S197-G209 PolarHBondContact N-O 3.05Å; S197-G209 PolarHBondContact O-N 3.17Å; S197-L237 WeakPolarHBondContact CB-O 3.26Å; S197-V239 WeakPolarHBondContact OG-CG2 3.1Å; S197-V239 PolarHBondContact OG-N 3.5Å; S197-V239 PolarHBondContact OG-O 3.29Å |
| 198 | L | 98.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.5 | 179.2 | -69.7 | 176 | 0 | 0 | 0 | 109 | A152 A161 G163 I168 V195 L206 V207 | A152-L198 HydrophobicContact CB-CB 3.7Å; A161-L198 HydrophobicContact CB-CD1 4.01Å; G163-L198 VanDerWaalsContact N-CD1 3.3Å; I168-L198 HydrophobicContact CD1-CD2 4.02Å; I168-L198 HydrophobicContact CG1-CD2 4.32Å; I168-L198 HydrophobicContact CG2-CD1 4.46Å; I168-L198 HydrophobicContact CG2-CD2 4.42Å; V195-L198 HydrophobicContact CG1-CD2 3.77Å; V195-L198 HydrophobicContact CG1-CG 4.03Å; L198-L206 HydrophobicContact CB-CD1 4.2Å; L198-L206 HydrophobicContact CD2-CD1 4.15Å; L198-L206 HydrophobicContact CD2-CD2 4.06Å; L198-L206 HydrophobicContact CD2-CG 4.26Å; L198-V207 WeakPolarHBondContact CA-O 3.42Å |
| 199 | C | 97.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 14% | 0.142 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.9 | 164.9 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | L206 V207 V239 V241 | C199-L206 WeakPolarHBondContact O-CD1 3.32Å; C199-V207 PolarHBondContact N-O 2.51Å; C199-V207 PolarHBondContact O-N 2.78Å; C199-V239 VanDerWaalsContact SG-CG2 3.59Å; C199-V241 HydrophobicContact CB-CG2 4.47Å |
| 200 | F | 97.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.2 | 173.7 | -82.5 | -95.2 | 0 | 0 | 0 | 110.3 | A152 W153 N154 A161 V205 L206 T220 | A152-F200 HydrophobicContact CB-CD2 3.96Å; A152-F200 HydrophobicContact CB-CE2 4.19Å; A152-F200 WeakPolarHBondContact O-CE2 3.08Å; W153-F200 VanDerWaalsContact C-CD2 3.44Å; W153-F200 WeakPolarHBondContact O-CD2 3.37Å; N154-F200 HydrophobicContact CB-CD1 3.8Å; N154-F200 HydrophobicContact CB-CD2 4.2Å; N154-F200 HydrophobicContact CB-CE1 3.7Å; N154-F200 HydrophobicContact CB-CE2 4.1Å; N154-F200 HydrophobicContact CB-CG 4.05Å; N154-F200 HydrophobicContact CB-CZ 3.85Å; A161-F200 HydrophobicContact CB-CE2 3.83Å; A161-F200 HydrophobicContact CB-CZ 4.17Å; F200-V205 WeakPolarHBondContact CA-O 3.48Å; F200-L206 HydrophobicContact CD1-CB 4.36Å; F200-L206 HydrophobicContact CD2-CD1 3.8Å; F200-L206 HydrophobicContact CE1-CB 4.1Å; F200-L206 HydrophobicContact CE2-CD1 3.68Å; F200-L206 HydrophobicContact CG-CD1 4.28Å; F200-L206 HydrophobicContact CZ-CB 4.29Å; F200-L206 HydrophobicContact CZ-CD1 4.06Å; F200-T220 HydrophobicContact CE1-CG2 3.89Å; F200-T220 HydrophobicContact CZ-CG2 4.19Å |
| 201 | M | 95.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -83.4 | -31.4 | 174.5 | -177.1 | 174.6 | 177.4 | 0 | 0 | 111.7 | R155 V205 V207 F217 V241 G245 E246 A248 F268 | R155-M201 PolarHBondContact NH2-O 3.03Å; M201-V205 HydrophobicContact CB-CB 4.49Å; M201-V205 HydrophobicContact CB-CG1 4.28Å; M201-V205 PolarHBondContact N-O 2.89Å; M201-V207 HydrophobicContact CB-CG2 3.84Å; M201-F217 HydrophobicContact SD-CE1 4.05Å; M201-V241 HydrophobicContact CB-CG1 4.4Å; M201-V241 HydrophobicContact CB-CG2 4.02Å; M201-V241 HydrophobicContact CG-CG1 4.1Å; M201-V241 HydrophobicContact CG-CG2 4.38Å; M201-G245 WeakPolarHBondContact CE-O 3.37Å; M201-G245 WeakPolarHBondContact CG-O 3.24Å; M201-G245 WeakPolarHBondContact O-CA 3.23Å; M201-E246 WeakPolarHBondContact CE-O 3.24Å; M201-A248 HydrophobicContact SD-CB 4.18Å; M201-F268 HydrophobicContact CE-CE1 4.06Å; M201-F268 HydrophobicContact SD-CD1 4.24Å; M201-F268 HydrophobicContact SD-CE1 3.63Å |
| 202 | S | 95.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 26% | 0.259 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -141.4 | -170.1 | 171.9 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | E204 V205 | S202-E204 PolarHBondContact O-N 2.53Å; S202-E204 PolarHBondContact OG-N 2.69Å; S202-V205 PolarHBondContact N-O 2.59Å; S202-V205 WeakPolarHBondContact OG-CB 3.44Å; S202-V205 WeakPolarHBondContact OG-CG2 3.23Å; S202-V205 PolarHBondContact OG-N 3.46Å; S202-V205 VanDerWaalsContact OG-N 3.1Å |
| 203 | Q | 95.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 25 Ų | 25 | 37% | 0.369 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -60.9 | -34.7 | 175.2 | -71.3 | -67.8 | 0.4 | 0 | 0 | 112.5 | R155 S156 | R155-Q203 VanDerWaalsContact C-NE2 3.33Å; R155-Q203 HydrophobicContact CB-CG 4.31Å; S156-Q203 PolarHBondContact OG-OE1 2.88Å; S156-Q203 VanDerWaalsContact OG-OE1 3.11Å |
| 204 | E | 94.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 25.6 Ų | 25.6 | 51% | 0.505 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -111.5 | -22 | -169.7 | -63.1 | 171.5 | 167.7 | 0 | 0 | 112.3 | S202 T220 | S202-E204 PolarHBondContact O-N 2.53Å; S202-E204 PolarHBondContact OG-N 2.69Å; E204-T220 WeakPolarHBondContact CA-OG1 3.38Å; E204-T220 WeakPolarHBondContact O-CB 3.17Å; E204-T220 PolarHBondContact O-N 3.14Å; E204-T220 PolarHBondContact O-OG1 3.1Å |
| 205 | V | 96.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 112 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | F200 M201 S202 F217 W218 L226 F268 | F200-V205 WeakPolarHBondContact CA-O 3.48Å; M201-V205 HydrophobicContact CB-CB 4.49Å; M201-V205 HydrophobicContact CB-CG1 4.28Å; M201-V205 PolarHBondContact N-O 2.89Å; S202-V205 PolarHBondContact N-O 2.59Å; S202-V205 WeakPolarHBondContact OG-CB 3.44Å; S202-V205 WeakPolarHBondContact OG-CG2 3.23Å; S202-V205 PolarHBondContact OG-N 3.46Å; S202-V205 VanDerWaalsContact OG-N 3.1Å; V205-F217 HydrophobicContact CG1-CD1 4.15Å; V205-W218 WeakPolarHBondContact CA-O 3.43Å; V205-L226 HydrophobicContact CG2-CD1 4.31Å; V205-F268 HydrophobicContact CG1-CE1 4.45Å; V205-F268 HydrophobicContact CG1-CE2 4.3Å; V205-F268 HydrophobicContact CG1-CZ 3.72Å; V205-F268 HydrophobicContact CG2-CZ 4.36Å |
| 206 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.8 | 170.5 | 175.9 | 70.9 | 0 | 0 | 0 | 110.3 | A152 A161 I168 I170 L198 C199 F200 F217 W218 T220 | A152-L206 HydrophobicContact CB-CD1 4.4Å; A161-L206 HydrophobicContact CB-CD1 3.98Å; A161-L206 HydrophobicContact CB-CD2 3.81Å; I168-L206 HydrophobicContact CG2-CD2 3.75Å; I170-L206 HydrophobicContact CD1-CD2 3.81Å; L198-L206 HydrophobicContact CB-CD1 4.2Å; L198-L206 HydrophobicContact CD2-CD1 4.15Å; L198-L206 HydrophobicContact CD2-CD2 4.06Å; L198-L206 HydrophobicContact CD2-CG 4.26Å; C199-L206 WeakPolarHBondContact O-CD1 3.32Å; F200-L206 HydrophobicContact CD1-CB 4.36Å; F200-L206 HydrophobicContact CD2-CD1 3.8Å; F200-L206 HydrophobicContact CE1-CB 4.1Å; F200-L206 HydrophobicContact CE2-CD1 3.68Å; F200-L206 HydrophobicContact CG-CD1 4.28Å; F200-L206 HydrophobicContact CZ-CB 4.29Å; F200-L206 HydrophobicContact CZ-CD1 4.06Å; L206-F217 CarbonylContact O-C 3.57Å; L206-F217 WeakPolarHBondContact O-CA 3.38Å; L206-W218 HydrophobicContact CB-CB 4.29Å; L206-W218 PolarHBondContact N-O 2.86Å; L206-W218 PolarHBondContact O-N 3.18Å; L206-T220 HydrophobicContact CB-CG2 3.75Å; L206-T220 HydrophobicContact CD2-CG2 4.45Å |
| 207 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.6 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | L198 C199 M201 T215 S216 F217 V239 A248 | L198-V207 WeakPolarHBondContact CA-O 3.42Å; C199-V207 PolarHBondContact N-O 2.51Å; C199-V207 PolarHBondContact O-N 2.78Å; M201-V207 HydrophobicContact CB-CG2 3.84Å; V207-T215 HydrophobicContact CG1-CG2 3.97Å; V207-S216 CarbonylContact C-O 3.59Å; V207-S216 WeakPolarHBondContact CA-O 3.46Å; V207-F217 HydrophobicContact CB-CE1 4.48Å; V207-F217 HydrophobicContact CG1-CD1 4.46Å; V207-F217 HydrophobicContact CG1-CE1 4.1Å; V207-F217 HydrophobicContact CG1-CZ 4.33Å; V207-F217 HydrophobicContact CG2-CD1 3.73Å; V207-F217 HydrophobicContact CG2-CE1 3.63Å; V207-V239 HydrophobicContact CG1-CB 4.25Å; V207-V239 HydrophobicContact CG1-CG1 4.21Å; V207-V239 HydrophobicContact CG1-CG2 4.47Å; V207-A248 HydrophobicContact CG2-CB 4.31Å |
| 208 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.8 | 176.9 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | S197 T215 S216 W218 | S197-S208 WeakPolarHBondContact O-CA 3.4Å; S208-T215 VanDerWaalsContact O-CA 3.31Å; S208-T215 WeakPolarHBondContact O-CA 3.49Å; S208-S216 PolarHBondContact N-O 3.37Å; S208-S216 PolarHBondContact O-N 3.36Å; S208-W218 PolarHBondContact OG-NE1 3.2Å |
| 209 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y196 S197 V236 | Y196-G209 PolarHBondContact N-O 3.05Å; S197-G209 PolarHBondContact N-O 3.05Å; S197-G209 PolarHBondContact O-N 3.17Å; G209-V236 CarbonylContact C-O 3.54Å |
| 210 | D | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 169.4 | -173.3 | 73.2 | 37.5 | 0 | 0 | 0 | 115.8 | P193 V194 S212 G213 C214 V236 | P193-D210 HydrophobicContact CB-CB 4.06Å; V194-D210 CarbonylContact O-C 3.56Å; V194-D210 WeakPolarHBondContact O-CA 3.07Å; V194-D210 WeakPolarHBondContact O-CB 3.42Å; D210-S212 PolarHBondContact O-N 3.3Å; D210-S212 WeakPolarHBondContact OD1-CA 3.34Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.37Å; D210-S212 PolarHBondContact OD1-N 3.21Å; D210-G213 PolarHBondContact O-N 3.27Å; D210-G213 PolarHBondContact OD1-N 3.41Å; D210-C214 PolarHBondContact N-O 3.33Å; D210-C214 PolarHBondContact OD1-N 2.88Å; D210-C214 VanDerWaalsContact OD1-N 3.14Å; D210-C214 WeakPolarHBondContact OD2-CB 3.28Å; D210-V236 PolarHBondContact O-N 2.95Å |
| 211 | S | 96 | Very high | 96.5 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 25% | 0.245 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.5 | -178.9 | 72.3 | 0 | 0 | 0 | 0 | 114.8 | P193 V194 G213 E235 | P193-S211 VanDerWaalsContact CA-OG 3.28Å; P193-S211 WeakPolarHBondContact CA-OG 3.41Å; V194-S211 PolarHBondContact N-OG 3.29Å; V194-S211 PolarHBondContact O-N 2.78Å; S211-G213 VanDerWaalsContact C-N 3.29Å; S211-E235 WeakPolarHBondContact O-CG 3.37Å |
| 212 | S | 93.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 26.4 Ų | 26.4 | 41% | 0.406 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.2 | 174.4 | -73.9 | 0 | 0 | 0 | 0 | 113.5 | D210 | D210-S212 PolarHBondContact O-N 3.3Å; D210-S212 WeakPolarHBondContact OD1-CA 3.34Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.37Å; D210-S212 PolarHBondContact OD1-N 3.21Å |
| 213 | G | 94.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 80.3 | 19.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | D210 S211 H232 A234 | D210-G213 PolarHBondContact O-N 3.27Å; D210-G213 PolarHBondContact OD1-N 3.41Å; S211-G213 VanDerWaalsContact C-N 3.29Å; G213-H232 PolarHBondContact O-N 2.89Å; G213-A234 WeakPolarHBondContact CA-O 3.47Å |
| 214 | C | 95.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.9 | 179 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | D210 H229 | D210-C214 PolarHBondContact N-O 3.33Å; D210-C214 PolarHBondContact OD1-N 2.88Å; D210-C214 VanDerWaalsContact OD1-N 3.14Å; D210-C214 WeakPolarHBondContact OD2-CB 3.28Å; C214-H229 WeakPolarHBondContact CA-O 3.47Å |
| 215 | T | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.9 | 163.3 | -55.8 | 0 | 0 | 0 | 0 | 107.6 | V207 S208 F217 H229 V239 S250 F260 | V207-T215 HydrophobicContact CG1-CG2 3.97Å; S208-T215 VanDerWaalsContact O-CA 3.31Å; S208-T215 WeakPolarHBondContact O-CA 3.49Å; T215-F217 HydrophobicContact CG2-CE2 4.42Å; T215-H229 PolarHBondContact N-O 2.83Å; T215-H229 PolarHBondContact O-N 3.35Å; T215-V239 HydrophobicContact CG2-CG1 4.23Å; T215-S250 VanDerWaalsContact OG1-CB 3.32Å; T215-S250 WeakPolarHBondContact OG1-CB 3.27Å; T215-S250 PolarHBondContact OG1-OG 2.68Å; T215-F260 HydrophobicContact CG2-CD2 4.43Å; T215-F260 HydrophobicContact CG2-CE2 3.9Å; T215-F260 HydrophobicContact CG2-CZ 4.14Å |
| 216 | S | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.5 | -171.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | V207 S208 Q227 S228 | V207-S216 CarbonylContact C-O 3.59Å; V207-S216 WeakPolarHBondContact CA-O 3.46Å; S208-S216 PolarHBondContact N-O 3.37Å; S208-S216 PolarHBondContact O-N 3.36Å; S216-Q227 CarbonylContact C-O 3.53Å; S216-Q227 VanDerWaalsContact CA-O 3.27Å; S216-Q227 WeakPolarHBondContact CA-O 3.44Å; S216-S228 WeakPolarHBondContact OG-CB 3.12Å; S216-S228 PolarHBondContact OG-OG 3.12Å |
| 217 | F | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130 | 178.9 | -63.9 | -94.6 | 0 | 0 | 0 | 108.7 | M201 V205 L206 V207 T215 L225 L226 Q227 H229 A248 F260 F268 | M201-F217 HydrophobicContact SD-CE1 4.05Å; V205-F217 HydrophobicContact CG1-CD1 4.15Å; L206-F217 CarbonylContact O-C 3.57Å; L206-F217 WeakPolarHBondContact O-CA 3.38Å; V207-F217 HydrophobicContact CB-CE1 4.48Å; V207-F217 HydrophobicContact CG1-CD1 4.46Å; V207-F217 HydrophobicContact CG1-CE1 4.1Å; V207-F217 HydrophobicContact CG1-CZ 4.33Å; V207-F217 HydrophobicContact CG2-CD1 3.73Å; V207-F217 HydrophobicContact CG2-CE1 3.63Å; T215-F217 HydrophobicContact CG2-CE2 4.42Å; F217-L225 WeakPolarHBondContact O-CD1 3.32Å; F217-L226 HydrophobicContact CB-CB 4.34Å; F217-L226 WeakPolarHBondContact O-CA 3.33Å; F217-L226 WeakPolarHBondContact O-CB 3.43Å; F217-L226 PolarHBondContact O-N 3.29Å; F217-Q227 PolarHBondContact N-O 3.13Å; F217-Q227 PolarHBondContact O-N 2.82Å; F217-H229 AromaticContact CE2-CD2 3.75Å; F217-H229 AromaticContact CE2-NE2 3.98Å; F217-A248 HydrophobicContact CE1-CB 4.08Å; F217-A248 HydrophobicContact CZ-CB 4.23Å; F217-F260 HydrophobicContact CE2-CB 4.39Å; F217-F260 HydrophobicContact CE2-CD1 4.22Å; F217-F260 HydrophobicContact CE2-CG 4.24Å; F217-F260 HydrophobicContact CZ-CB 3.73Å; F217-F260 HydrophobicContact CZ-CD1 4.35Å; F217-F260 HydrophobicContact CZ-CD2 4.38Å; F217-F260 AromaticContact CZ-CG 3.92Å; F217-F260 HydrophobicContact CZ-CG 3.92Å; F217-F268 HydrophobicContact CB-CD2 3.67Å; F217-F268 HydrophobicContact CB-CE2 3.74Å; F217-F268 HydrophobicContact CB-CG 4.35Å; F217-F268 HydrophobicContact CB-CZ 4.47Å; F217-F268 HydrophobicContact CD1-CB 4.45Å; F217-F268 AromaticContact CD1-CD1 3.65Å; F217-F268 HydrophobicContact CD1-CD1 3.65Å; F217-F268 AromaticContact CD1-CD2 3.77Å; F217-F268 HydrophobicContact CD1-CD2 3.77Å; F217-F268 AromaticContact CD1-CE1 3.75Å; F217-F268 HydrophobicContact CD1-CE1 3.75Å; F217-F268 AromaticContact CD1-CE2 3.87Å; F217-F268 HydrophobicContact CD1-CE2 3.87Å; F217-F268 AromaticContact CD1-CG 3.67Å; F217-F268 HydrophobicContact CD1-CG 3.67Å; F217-F268 AromaticContact CD1-CZ 3.86Å; F217-F268 HydrophobicContact CD1-CZ 3.86Å; F217-F268 HydrophobicContact CD2-CB 3.86Å; F217-F268 AromaticContact CD2-CD2 3.94Å; F217-F268 HydrophobicContact CD2-CD2 3.94Å; F217-F268 AromaticContact CD2-CG 3.85Å; F217-F268 HydrophobicContact CD2-CG 3.85Å; F217-F268 HydrophobicContact CE1-CB 4.36Å; F217-F268 AromaticContact CE1-CD1 3.57Å; F217-F268 HydrophobicContact CE1-CD1 3.57Å; F217-F268 HydrophobicContact CE1-CD2 4.42Å; F217-F268 AromaticContact CE1-CE1 3.93Å; F217-F268 HydrophobicContact CE1-CE1 3.93Å; F217-F268 AromaticContact CE1-CG 3.85Å; F217-F268 HydrophobicContact CE1-CG 3.85Å; F217-F268 HydrophobicContact CE1-CZ 4.5Å; F217-F268 HydrophobicContact CE2-CB 3.75Å; F217-F268 HydrophobicContact CE2-CD1 4.47Å; F217-F268 HydrophobicContact CE2-CG 4.02Å; F217-F268 HydrophobicContact CG-CB 4.23Å; F217-F268 HydrophobicContact CG-CD1 4.17Å; F217-F268 AromaticContact CG-CD2 3.52Å; F217-F268 HydrophobicContact CG-CD2 3.52Å; F217-F268 HydrophobicContact CG-CE1 4.48Å; F217-F268 AromaticContact CG-CE2 3.88Å; F217-F268 HydrophobicContact CG-CE2 3.88Å; F217-F268 AromaticContact CG-CG 3.68Å; F217-F268 HydrophobicContact CG-CG 3.68Å; F217-F268 HydrophobicContact CG-CZ 4.35Å; F217-F268 HydrophobicContact CZ-CB 4.03Å; F217-F268 HydrophobicContact CZ-CD1 4.02Å; F217-F268 HydrophobicContact CZ-CG 4.03Å |
| 218 | W | 97.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.7 | -173 | -46.4 | 83.1 | 0 | 0 | 0 | 109.8 | I168 F182 L184 V205 L206 S208 V224 L225 | I168-W218 HydrophobicContact CD1-CZ2 3.82Å; F182-W218 HydrophobicContact CB-CE3 4.12Å; F182-W218 HydrophobicContact CB-CH2 4.21Å; F182-W218 HydrophobicContact CB-CZ3 3.72Å; F182-W218 HydrophobicContact CD1-CE3 4.35Å; F182-W218 HydrophobicContact CD1-CZ3 4.5Å; F182-W218 HydrophobicContact CD2-CD2 4.12Å; F182-W218 AromaticContact CD2-CE3 3.77Å; F182-W218 HydrophobicContact CD2-CE3 3.77Å; F182-W218 HydrophobicContact CD2-CZ3 4.26Å; F182-W218 HydrophobicContact CE2-CB 4.26Å; F182-W218 HydrophobicContact CE2-CE3 4.29Å; F182-W218 AromaticContact CG-CE3 3.81Å; F182-W218 HydrophobicContact CG-CE3 3.81Å; F182-W218 AromaticContact CG-CZ3 3.91Å; F182-W218 HydrophobicContact CG-CZ3 3.91Å; L184-W218 HydrophobicContact CD1-CH2 4.48Å; L184-W218 HydrophobicContact CD2-CH2 4.46Å; L184-W218 HydrophobicContact CD2-CZ2 4.14Å; L184-W218 HydrophobicContact CG-CH2 4.11Å; L184-W218 HydrophobicContact CG-CZ2 4.26Å; V205-W218 WeakPolarHBondContact CA-O 3.43Å; L206-W218 HydrophobicContact CB-CB 4.29Å; L206-W218 PolarHBondContact N-O 2.86Å; L206-W218 PolarHBondContact O-N 3.18Å; S208-W218 PolarHBondContact OG-NE1 3.2Å; W218-V224 WeakPolarHBondContact CA-O 3.32Å; W218-L225 HydrophobicContact CD2-CD1 3.8Å; W218-L225 HydrophobicContact CE3-CB 3.77Å; W218-L225 HydrophobicContact CE3-CD1 3.7Å; W218-L225 HydrophobicContact CE3-CG 4.34Å; W218-L225 HydrophobicContact CH2-CB 4.49Å; W218-L225 HydrophobicContact CH2-CD1 3.8Å; W218-L225 HydrophobicContact CZ2-CD1 3.88Å; W218-L225 HydrophobicContact CZ3-CB 3.69Å; W218-L225 HydrophobicContact CZ3-CD1 3.7Å; W218-L225 HydrophobicContact CZ3-CG 4.18Å |
| 219 | D | 96.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 112.2 | 168.7 | -170.9 | -27.7 | 0 | 0 | 0 | 108.8 | S221 V222 G223 V224 L226 | D219-S221 WeakPolarHBondContact OD1-CA 3.36Å; D219-S221 VanDerWaalsContact OD1-CB 3.27Å; D219-S221 WeakPolarHBondContact OD1-CB 3.05Å; D219-S221 PolarHBondContact OD1-N 2.81Å; D219-S221 PolarHBondContact OD1-OG 2.86Å; D219-V222 HydrophobicContact CB-CG2 3.94Å; D219-V222 PolarHBondContact OD1-N 3.36Å; D219-G223 CarbonylContact O-C 3.49Å; D219-G223 VanDerWaalsContact O-CA 3.23Å; D219-G223 WeakPolarHBondContact O-CA 3.27Å; D219-G223 PolarHBondContact O-N 2.8Å; D219-V224 HydrophobicContact CB-CG2 4.03Å; D219-V224 PolarHBondContact N-O 3.22Å; D219-V224 PolarHBondContact O-N 3.07Å; D219-L226 HydrophobicContact CB-CD1 4.07Å; D219-L226 HydrophobicContact CB-CD2 3.89Å; D219-L226 HydrophobicContact CB-CG 3.91Å |
| 220 | T | 96.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.9 | -179.4 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | I170 Y180 F200 E204 L206 | I170-T220 HydrophobicContact CD1-CG2 3.9Å; I170-T220 HydrophobicContact CG1-CG2 4.22Å; Y180-T220 VanDerWaalsContact CE2-O 3.29Å; Y180-T220 WeakPolarHBondContact CE2-O 3.04Å; F200-T220 HydrophobicContact CE1-CG2 3.89Å; F200-T220 HydrophobicContact CZ-CG2 4.19Å; E204-T220 WeakPolarHBondContact CA-OG1 3.38Å; E204-T220 WeakPolarHBondContact O-CB 3.17Å; E204-T220 PolarHBondContact O-N 3.14Å; E204-T220 PolarHBondContact O-OG1 3.1Å; L206-T220 HydrophobicContact CB-CG2 3.75Å; L206-T220 HydrophobicContact CD2-CG2 4.45Å |
| 221 | S | 95.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -37.2 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | Y180 D219 | Y180-S221 PolarHBondContact OH-O 3.28Å; D219-S221 WeakPolarHBondContact OD1-CA 3.36Å; D219-S221 VanDerWaalsContact OD1-CB 3.27Å; D219-S221 WeakPolarHBondContact OD1-CB 3.05Å; D219-S221 PolarHBondContact OD1-N 2.81Å; D219-S221 PolarHBondContact OD1-OG 2.86Å |
| 222 | V | 95.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 40.6 Ų | 40.6 | 52% | 0.515 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -13.7 | -179.7 | -69.4 | 0 | 0 | 0 | 0 | 113.3 | D219 V224 | D219-V222 HydrophobicContact CB-CG2 3.94Å; D219-V222 PolarHBondContact OD1-N 3.36Å; V222-V224 HydrophobicContact CG2-CB 4.48Å; V222-V224 HydrophobicContact CG2-CG1 4.18Å; V222-V224 HydrophobicContact CG2-CG2 3.73Å |
| 223 | G | 95 | Very high | 95.3 | Very high | 18 Ų | 18 | 42 Ų | 42 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 46 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | F182 D219 | F182-G223 VanDerWaalsContact CE1-CA 3.49Å; F182-G223 VanDerWaalsContact CE1-O 3.27Å; F182-G223 WeakPolarHBondContact CE1-O 3.39Å; D219-G223 CarbonylContact O-C 3.49Å; D219-G223 VanDerWaalsContact O-CA 3.23Å; D219-G223 WeakPolarHBondContact O-CA 3.27Å; D219-G223 PolarHBondContact O-N 2.8Å |
| 224 | V | 95.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 42% | 0.424 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.8 | -179.4 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | W218 D219 V222 L226 | W218-V224 WeakPolarHBondContact CA-O 3.32Å; D219-V224 HydrophobicContact CB-CG2 4.03Å; D219-V224 PolarHBondContact N-O 3.22Å; D219-V224 PolarHBondContact O-N 3.07Å; V222-V224 HydrophobicContact CG2-CB 4.48Å; V222-V224 HydrophobicContact CG2-CG1 4.18Å; V222-V224 HydrophobicContact CG2-CG2 3.73Å; V224-L226 HydrophobicContact CG2-CD2 4.44Å; V224-L226 PolarHBondContact O-N 2.97Å |
| 225 | L | 96.2 | Very high | 95.3 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 45% | 0.445 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.8 | 167.1 | 177.7 | 67.1 | 0 | 0 | 0 | 108.8 | F217 W218 Q227 | F217-L225 WeakPolarHBondContact O-CD1 3.32Å; W218-L225 HydrophobicContact CD2-CD1 3.8Å; W218-L225 HydrophobicContact CE3-CB 3.77Å; W218-L225 HydrophobicContact CE3-CD1 3.7Å; W218-L225 HydrophobicContact CE3-CG 4.34Å; W218-L225 HydrophobicContact CH2-CB 4.49Å; W218-L225 HydrophobicContact CH2-CD1 3.8Å; W218-L225 HydrophobicContact CZ2-CD1 3.88Å; W218-L225 HydrophobicContact CZ3-CB 3.69Å; W218-L225 HydrophobicContact CZ3-CD1 3.7Å; W218-L225 HydrophobicContact CZ3-CG 4.18Å; L225-Q227 WeakPolarHBondContact CD1-O 3.28Å |
| 226 | L | 95.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -56.2 | 173.4 | -64 | 173.1 | 0 | 0 | 0 | 109.7 | V205 F217 D219 V224 F268 | V205-L226 HydrophobicContact CG2-CD1 4.31Å; F217-L226 HydrophobicContact CB-CB 4.34Å; F217-L226 WeakPolarHBondContact O-CA 3.33Å; F217-L226 WeakPolarHBondContact O-CB 3.43Å; F217-L226 PolarHBondContact O-N 3.29Å; D219-L226 HydrophobicContact CB-CD1 4.07Å; D219-L226 HydrophobicContact CB-CD2 3.89Å; D219-L226 HydrophobicContact CB-CG 3.91Å; V224-L226 HydrophobicContact CG2-CD2 4.44Å; V224-L226 PolarHBondContact O-N 2.97Å; L226-F268 HydrophobicContact CD1-CE2 3.94Å |
| 227 | Q | 95.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.5 | -176.5 | -68.4 | -168.1 | -44.6 | 0 | 0 | 112.5 | S216 F217 L225 T267 F268 | S216-Q227 CarbonylContact C-O 3.53Å; S216-Q227 VanDerWaalsContact CA-O 3.27Å; S216-Q227 WeakPolarHBondContact CA-O 3.44Å; F217-Q227 PolarHBondContact N-O 3.13Å; F217-Q227 PolarHBondContact O-N 2.82Å; L225-Q227 WeakPolarHBondContact CD1-O 3.28Å; Q227-T267 VanDerWaalsContact NE2-CB 3.32Å; Q227-F268 VanDerWaalsContact OE1-CA 3.27Å; Q227-F268 VanDerWaalsContact OE1-CB 3.27Å; Q227-F268 PolarHBondContact OE1-O 3.49Å |
| 228 | S | 95.3 | Very high | 95.3 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126.9 | 173.6 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | S216 | S216-S228 WeakPolarHBondContact OG-CB 3.12Å; S216-S228 PolarHBondContact OG-OG 3.12Å |
| 229 | H | 95.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 19% | 0.185 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 102.4 | -178.3 | -57.8 | -82.5 | 0 | 0 | 0 | 111.1 | C214 T215 F217 C231 F260 F268 | C214-H229 WeakPolarHBondContact CA-O 3.47Å; T215-H229 PolarHBondContact N-O 2.83Å; T215-H229 PolarHBondContact O-N 3.35Å; F217-H229 AromaticContact CE2-CD2 3.75Å; F217-H229 AromaticContact CE2-NE2 3.98Å; H229-C231 PolarHBondContact O-N 3.35Å; H229-F260 HydrophobicContact CB-CE1 3.95Å; H229-F260 HydrophobicContact CB-CZ 4.47Å; H229-F260 AromaticContact CD2-CE1 3.84Å; H229-F260 AromaticContact CG-CE1 3.83Å; H229-F268 PolarHBondContact CE1-O 2.99Å; H229-F268 PolarHBondContact NE2-O 2.86Å; H229-F268 VanDerWaalsContact NE2-O 3.15Å |
| 230 | K | 93.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 44.1 Ų | 44.1 | 71% | 0.709 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 73.8 | 168.8 | -167.9 | 168 | -172.4 | 164.4 | 0 | 111.1 | ||
| 231 | C | 88.4 | Confident | 95.3 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.108 | 25% | 0.245 | C | C | . | . | trans | -107.4 | -27.9 | -172 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | H229 F258 | H229-C231 PolarHBondContact O-N 3.35Å; C231-F258 HydrophobicContact CB-CD2 4.1Å; C231-F258 HydrophobicContact CB-CE2 3.83Å; C231-F258 HydrophobicContact CB-CZ 4.08Å; C231-F258 WeakPolarHBondContact O-CE2 3.32Å; C231-F258 WeakPolarHBondContact O-CZ 3.37Å; C231-F258 VanDerWaalsContact SG-CD2 3.52Å | ||
| 232 | H | 93.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -78 | 148.7 | 172.8 | -74.9 | -84 | 0 | 0 | 0 | 110.7 | G213 A234 V236 S250 D254 T256 F258 | G213-H232 PolarHBondContact O-N 2.89Å; H232-A234 VanDerWaalsContact C-N 3.3Å; H232-A234 VanDerWaalsContact CB-O 3.27Å; H232-A234 WeakPolarHBondContact CB-O 3.45Å; H232-V236 HydrophobicContact CB-CG2 4.02Å; H232-V236 VanDerWaalsContact CD2-CG2 3.43Å; H232-V236 WeakPolarHBondContact CD2-CG2 3.45Å; H232-S250 PolarHBondContact NE2-OG 2.69Å; H232-D254 VanDerWaalsContact CA-OD2 3.27Å; H232-D254 WeakPolarHBondContact CA-OD2 3.48Å; H232-D254 VanDerWaalsContact CB-OD2 3.31Å; H232-D254 WeakPolarHBondContact CB-OD2 3.01Å; H232-D254 IonicContact CG-OD2 3.9Å; H232-D254 IonicContact ND1-OD1 3.59Å; H232-D254 PolarHBondContact ND1-OD1 2.83Å; H232-D254 IonicContact ND1-OD2 2.88Å; H232-D254 PolarHBondContact ND1-OD2 3.46Å; H232-D254 VanDerWaalsContact ND1-OD2 3.11Å; H232-T256 PolarHBondContact CE1-O 2.85Å; H232-T256 VanDerWaalsContact CE1-O 3.3Å; H232-F258 AromaticContact CD2-CD2 3.78Å; H232-F258 AromaticContact CE1-CD2 3.64Å; H232-F258 AromaticContact ND1-CE2 3.98Å; H232-F258 AromaticContact NE2-CD2 3.45Å; H232-F258 WeakPolarHBondContact NE2-CD2 3.31Å | ||
| 233 | R | 92.9 | Very high | 94.9 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 33% | 0.328 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -87.7 | -5 | 176.5 | -61.8 | -172.9 | -175.5 | 164.2 | -11.4 | 112.5 | D254 F647 P648 Y650 | R233-D254 PolarHBondContact N-OD2 2.93Å; R233-F647 HydrophobicContact CB-CB 4.19Å; R233-F647 HydrophobicContact CB-CD1 3.9Å; R233-F647 HydrophobicContact CB-CG 4.02Å; R233-F647 VanDerWaalsContact CD-CB 3.43Å; R233-P648 PolarHBondContact NE-O 3.05Å; R233-P648 PolarHBondContact NH1-O 3.3Å; R233-P648 VanDerWaalsContact NH1-O 3.14Å; R233-P648 PolarHBondContact NH2-O 3.25Å; R233-Y650 HydrophobicContact CG-CD1 4.46Å; R233-Y650 HydrophobicContact CG-CE1 3.71Å |
| 234 | A | 94.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -150.1 | -176.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G213 H232 K253 D254 F647 | G213-A234 WeakPolarHBondContact CA-O 3.47Å; H232-A234 VanDerWaalsContact C-N 3.3Å; H232-A234 VanDerWaalsContact CB-O 3.27Å; H232-A234 WeakPolarHBondContact CB-O 3.45Å; A234-K253 HydrophobicContact CB-CB 3.62Å; A234-D254 HydrophobicContact CB-CB 4.48Å; A234-F647 HydrophobicContact CB-CE1 3.63Å; A234-F647 HydrophobicContact CB-CZ 3.92Å |
| 235 | E | 96 | Very high | 94.4 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | trans | -48.7 | 135.5 | 178.6 | -58.8 | 170.2 | -136.2 | 0 | 0 | 112.7 | Y196 S211 L237 G252 K253 | Y196-E235 HydrophobicContact CD2-CB 4.48Å; Y196-E235 HydrophobicContact CE2-CB 3.91Å; Y196-E235 HydrophobicContact CE2-CG 4.12Å; Y196-E235 WeakPolarHBondContact CE2-OE2 3.36Å; Y196-E235 VanDerWaalsContact CZ-OE2 3.28Å; Y196-E235 PolarHBondContact OH-OE2 2.91Å; S211-E235 WeakPolarHBondContact O-CG 3.37Å; E235-L237 HydrophobicContact CB-CD2 4.19Å; E235-G252 CarbonylContact O-C 3.53Å; E235-G252 VanDerWaalsContact O-CA 3.29Å; E235-G252 WeakPolarHBondContact O-CA 3.24Å; E235-K253 HydrophobicContact CB-CD 4.18Å; E235-K253 HydrophobicContact CB-CG 4.23Å; E235-K253 HydrophobicContact CG-CD 4.2Å; E235-K253 PolarHBondContact O-N 3.24Å; E235-K253 WeakPolarHBondContact OE1-CE 3.06Å; E235-K253 IonicContact OE1-NZ 2.77Å; E235-K253 PolarHBondContact OE1-NZ 2.79Å; E235-K253 VanDerWaalsContact OE2-CE 3.26Å; E235-K253 WeakPolarHBondContact OE2-CE 3.03Å; E235-K253 IonicContact OE2-NZ 3.03Å; E235-K253 PolarHBondContact OE2-NZ 2.97Å | ||
| 236 | V | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112.6 | 169.4 | -172.1 | 0 | 0 | 0 | 0 | 108 | Y196 G209 D210 H232 V239 S251 | Y196-V236 WeakPolarHBondContact CD2-O 3.34Å; G209-V236 CarbonylContact C-O 3.54Å; D210-V236 PolarHBondContact O-N 2.95Å; H232-V236 HydrophobicContact CB-CG2 4.02Å; H232-V236 VanDerWaalsContact CD2-CG2 3.43Å; H232-V236 WeakPolarHBondContact CD2-CG2 3.45Å; V236-V239 HydrophobicContact CG1-CG1 4.2Å; V236-S251 CarbonylContact C-O 3.55Å; V236-S251 WeakPolarHBondContact CA-O 3.29Å; V236-S251 WeakPolarHBondContact CG1-O 3.37Å |
| 237 | L | 97.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -34.6 | -172.7 | -59 | 174.5 | 0 | 0 | 0 | 112.3 | Y196 S197 E235 S251 K253 T280 E282 | Y196-L237 HydrophobicContact CD2-CD2 3.93Å; Y196-L237 HydrophobicContact CE2-CD2 4.03Å; Y196-L237 HydrophobicContact CG-CD2 4.27Å; S197-L237 WeakPolarHBondContact CB-O 3.26Å; E235-L237 HydrophobicContact CB-CD2 4.19Å; L237-S251 PolarHBondContact N-O 2.73Å; L237-K253 HydrophobicContact CD1-CG 3.94Å; L237-K253 HydrophobicContact CD2-CG 4.45Å; L237-K253 HydrophobicContact CG-CG 4.39Å; L237-T280 HydrophobicContact CD1-CG2 3.68Å; L237-E282 WeakPolarHBondContact CD1-OE2 3.22Å |
| 238 | T | 97.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.6 | 178.9 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | S250 S251 E282 L284 | T238-S250 WeakPolarHBondContact O-CA 3.31Å; T238-S251 PolarHBondContact N-O 3.14Å; T238-S251 PolarHBondContact O-N 3.38Å; T238-E282 PolarHBondContact OG1-O 3.07Å; T238-L284 HydrophobicContact CG2-CB 3.9Å |
| 239 | V | 98.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.1 | 160.8 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | S197 C199 V207 T215 V236 Y249 | S197-V239 WeakPolarHBondContact OG-CG2 3.1Å; S197-V239 PolarHBondContact OG-N 3.5Å; S197-V239 PolarHBondContact OG-O 3.29Å; C199-V239 VanDerWaalsContact SG-CG2 3.59Å; V207-V239 HydrophobicContact CG1-CB 4.25Å; V207-V239 HydrophobicContact CG1-CG1 4.21Å; V207-V239 HydrophobicContact CG1-CG2 4.47Å; T215-V239 HydrophobicContact CG2-CG1 4.23Å; V236-V239 HydrophobicContact CG1-CG1 4.2Å; V239-Y249 CarbonylContact C-O 3.53Å; V239-Y249 WeakPolarHBondContact CA-O 3.46Å |
| 240 | C | 97 | Very high | 94.4 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 10% | 0.095 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 163.4 | 172.1 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | A248 Y249 L284 | C240-A248 CarbonylContact O-C 3.57Å; C240-A248 WeakPolarHBondContact O-CA 3.41Å; C240-Y249 PolarHBondContact N-O 3.14Å; C240-Y249 PolarHBondContact O-N 3.37Å; C240-L284 HydrophobicContact CB-CB 4.49Å |
| 241 | V | 95.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 13% | 0.127 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.5 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | C199 M201 Y247 A248 T286 | C199-V241 HydrophobicContact CB-CG2 4.47Å; M201-V241 HydrophobicContact CB-CG1 4.4Å; M201-V241 HydrophobicContact CB-CG2 4.02Å; M201-V241 HydrophobicContact CG-CG1 4.1Å; M201-V241 HydrophobicContact CG-CG2 4.38Å; V241-Y247 WeakPolarHBondContact CA-O 3.21Å; V241-A248 HydrophobicContact CG2-CB 4.24Å; V241-T286 PolarHBondContact O-OG1 3.44Å |
| 242 | D | 92.7 | Very high | 95 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | trans | -71.5 | 171.4 | 170.8 | 70.8 | -7.4 | 0 | 0 | 0 | 112.6 | N244 G245 E246 Y247 Y249 T286 | D242-N244 PolarHBondContact O-N 3.22Å; D242-N244 VanDerWaalsContact O-N 3.15Å; D242-G245 PolarHBondContact O-N 3.28Å; D242-G245 WeakPolarHBondContact OD1-CA 3.39Å; D242-G245 PolarHBondContact OD1-N 3.37Å; D242-E246 PolarHBondContact OD1-N 2.91Å; D242-Y247 PolarHBondContact N-O 3.31Å; D242-Y247 PolarHBondContact OD1-N 3.03Å; D242-Y247 WeakPolarHBondContact OD2-CD2 3Å; D242-Y247 PolarHBondContact OD2-N 2.96Å; D242-Y249 HydrophobicContact CB-CE2 4.38Å; D242-T286 HydrophobicContact CB-CG2 4.36Å | ||
| 243 | K | 87.9 | Confident | 95.1 | Very high | 189 Ų | 189 | 38.5 Ų | 38.5 | 82% | 0.822 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.4 | -174.2 | -174.7 | 177.9 | 176.9 | -177.8 | 0 | 113.1 | ||
| 244 | N | 89.2 | Confident | 95.1 | Very high | 107 Ų | 107 | 34.4 Ų | 34.4 | 57% | 0.572 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -17.5 | -174.5 | -62.8 | -17.4 | 0 | 0 | 0 | 112.7 | R155 D242 E246 | R155-N244 PolarHBondContact NH2-O 3.37Å; D242-N244 PolarHBondContact O-N 3.22Å; D242-N244 VanDerWaalsContact O-N 3.15Å; N244-E246 HydrophobicContact CB-CG 3.91Å |
| 245 | G | 91.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 79 | 20 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M201 D242 | M201-G245 WeakPolarHBondContact CE-O 3.37Å; M201-G245 WeakPolarHBondContact CG-O 3.24Å; M201-G245 WeakPolarHBondContact O-CA 3.23Å; D242-G245 PolarHBondContact O-N 3.28Å; D242-G245 WeakPolarHBondContact OD1-CA 3.39Å; D242-G245 PolarHBondContact OD1-N 3.37Å |
| 246 | E | 92.4 | Very high | 95 | Very high | 107 Ų | 107 | 32.7 Ų | 32.7 | 50% | 0.5 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -82 | -36.6 | 178.2 | -67.8 | 178.8 | 162.3 | 0 | 0 | 110.5 | M201 D242 N244 | M201-E246 WeakPolarHBondContact CE-O 3.24Å; D242-E246 PolarHBondContact OD1-N 2.91Å; N244-E246 HydrophobicContact CB-CG 3.91Å |
| 247 | Y | 94.4 | Very high | 95 | Very high | 61 Ų | 61 | 32.7 Ų | 32.7 | 24% | 0.239 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130 | -176.6 | -59.9 | -69.8 | 0 | 0 | 0 | 112.5 | V241 D242 R259 F260 | V241-Y247 WeakPolarHBondContact CA-O 3.21Å; D242-Y247 PolarHBondContact N-O 3.31Å; D242-Y247 PolarHBondContact OD1-N 3.03Å; D242-Y247 WeakPolarHBondContact OD2-CD2 3Å; D242-Y247 PolarHBondContact OD2-N 2.96Å; Y247-R259 HydrophobicContact CD1-CG 3.85Å; Y247-R259 HydrophobicContact CG-CG 4.16Å; Y247-F260 VanDerWaalsContact CA-O 3.3Å; Y247-F260 WeakPolarHBondContact CA-O 3.42Å |
| 248 | A | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M201 V207 F217 C240 V241 R259 F260 | M201-A248 HydrophobicContact SD-CB 4.18Å; V207-A248 HydrophobicContact CG2-CB 4.31Å; F217-A248 HydrophobicContact CE1-CB 4.08Å; F217-A248 HydrophobicContact CZ-CB 4.23Å; C240-A248 CarbonylContact O-C 3.57Å; C240-A248 WeakPolarHBondContact O-CA 3.41Å; V241-A248 HydrophobicContact CG2-CB 4.24Å; A248-R259 CarbonylContact O-C 3.57Å; A248-R259 WeakPolarHBondContact O-CA 3.28Å; A248-F260 HydrophobicContact CB-CB 4.43Å; A248-F260 PolarHBondContact N-O 2.68Å; A248-F260 PolarHBondContact O-N 2.85Å |
| 249 | Y | 97.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.2 | 179 | -58 | -95.1 | 0 | 0 | 0 | 110.4 | V239 C240 D242 I257 F258 R259 T286 L291 V305 | V239-Y249 CarbonylContact C-O 3.53Å; V239-Y249 WeakPolarHBondContact CA-O 3.46Å; C240-Y249 PolarHBondContact N-O 3.14Å; C240-Y249 PolarHBondContact O-N 3.37Å; D242-Y249 HydrophobicContact CB-CE2 4.38Å; Y249-I257 HydrophobicContact CD1-CG2 4.43Å; Y249-F258 CarbonylContact C-O 3.55Å; Y249-F258 VanDerWaalsContact CA-O 3.23Å; Y249-F258 WeakPolarHBondContact CA-O 3.35Å; Y249-R259 HydrophobicContact CD1-CB 3.97Å; Y249-R259 HydrophobicContact CD1-CG 4.06Å; Y249-R259 HydrophobicContact CE1-CB 3.84Å; Y249-R259 HydrophobicContact CE1-CG 3.58Å; Y249-R259 WeakPolarHBondContact OH-CD 3.28Å; Y249-T286 HydrophobicContact CD2-CG2 4.16Å; Y249-T286 HydrophobicContact CE2-CG2 4.06Å; Y249-L291 HydrophobicContact CD1-CD1 4.11Å; Y249-L291 HydrophobicContact CD1-CD2 3.83Å; Y249-L291 HydrophobicContact CD2-CD1 4.33Å; Y249-L291 HydrophobicContact CE1-CD1 4.46Å; Y249-L291 HydrophobicContact CE1-CD2 4.1Å; Y249-L291 HydrophobicContact CG-CD1 4.04Å; Y249-V305 VanDerWaalsContact OH-CG1 3.24Å; Y249-V305 WeakPolarHBondContact OH-CG1 3.45Å |
| 250 | S | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.8 | 174.2 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | T215 H232 T238 I257 F258 F260 | T215-S250 VanDerWaalsContact OG1-CB 3.32Å; T215-S250 WeakPolarHBondContact OG1-CB 3.27Å; T215-S250 PolarHBondContact OG1-OG 2.68Å; H232-S250 PolarHBondContact NE2-OG 2.69Å; T238-S250 WeakPolarHBondContact O-CA 3.31Å; S250-I257 VanDerWaalsContact O-CA 3.3Å; S250-I257 WeakPolarHBondContact O-CA 3.17Å; S250-F258 PolarHBondContact N-O 3.24Å; S250-F258 PolarHBondContact O-N 2.85Å; S250-F260 WeakPolarHBondContact OG-CE2 3.33Å |
| 251 | S | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 167.4 | 173 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | V236 L237 T238 V281 L284 | V236-S251 CarbonylContact C-O 3.55Å; V236-S251 WeakPolarHBondContact CA-O 3.29Å; V236-S251 WeakPolarHBondContact CG1-O 3.37Å; L237-S251 PolarHBondContact N-O 2.73Å; T238-S251 PolarHBondContact N-O 3.14Å; T238-S251 PolarHBondContact O-N 3.38Å; S251-V281 WeakPolarHBondContact OG-CG1 3.39Å; S251-V281 PolarHBondContact OG-O 3.31Å; S251-V281 VanDerWaalsContact OG-O 3.11Å; S251-L284 WeakPolarHBondContact OG-CD1 3.44Å; S251-L284 VanDerWaalsContact OG-CG 3.31Å; S251-L284 WeakPolarHBondContact OG-CG 3.13Å |
| 252 | G | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -138.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | E235 D254 T280 V281 | E235-G252 CarbonylContact O-C 3.53Å; E235-G252 VanDerWaalsContact O-CA 3.29Å; E235-G252 WeakPolarHBondContact O-CA 3.24Å; G252-D254 CarbonylContact C-O 3.56Å; G252-D254 PolarHBondContact O-N 3.28Å; G252-T280 WeakPolarHBondContact O-CA 3.32Å; G252-T280 WeakPolarHBondContact O-CG2 3.29Å; G252-V281 WeakPolarHBondContact CA-O 3.42Å; G252-V281 PolarHBondContact N-O 3.3Å; G252-V281 PolarHBondContact O-N 2.72Å |
| 253 | K | 95.2 | Very high | 94.5 | Very high | 79 Ų | 79 | 37.2 Ų | 37.2 | 34% | 0.343 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -65.4 | -24.2 | -173.5 | -76.9 | -169.3 | -178.3 | 171.8 | 0 | 113.8 | A234 E235 L237 T280 | A234-K253 HydrophobicContact CB-CB 3.62Å; E235-K253 HydrophobicContact CB-CD 4.18Å; E235-K253 HydrophobicContact CB-CG 4.23Å; E235-K253 HydrophobicContact CG-CD 4.2Å; E235-K253 PolarHBondContact O-N 3.24Å; E235-K253 WeakPolarHBondContact OE1-CE 3.06Å; E235-K253 IonicContact OE1-NZ 2.77Å; E235-K253 PolarHBondContact OE1-NZ 2.79Å; E235-K253 VanDerWaalsContact OE2-CE 3.26Å; E235-K253 WeakPolarHBondContact OE2-CE 3.03Å; E235-K253 IonicContact OE2-NZ 3.03Å; E235-K253 PolarHBondContact OE2-NZ 2.97Å; L237-K253 HydrophobicContact CD1-CG 3.94Å; L237-K253 HydrophobicContact CD2-CG 4.45Å; L237-K253 HydrophobicContact CG-CG 4.39Å; K253-T280 HydrophobicContact CG-CG2 4.24Å; K253-T280 PolarHBondContact O-OG1 3.21Å |
| 254 | D | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -87.3 | 151.1 | 166.4 | 83.8 | 55 | 0 | 0 | 0 | 111.6 | H232 R233 A234 G252 T256 F647 | H232-D254 VanDerWaalsContact CA-OD2 3.27Å; H232-D254 WeakPolarHBondContact CA-OD2 3.48Å; H232-D254 VanDerWaalsContact CB-OD2 3.31Å; H232-D254 WeakPolarHBondContact CB-OD2 3.01Å; H232-D254 IonicContact CG-OD2 3.9Å; H232-D254 IonicContact ND1-OD1 3.59Å; H232-D254 PolarHBondContact ND1-OD1 2.83Å; H232-D254 IonicContact ND1-OD2 2.88Å; H232-D254 PolarHBondContact ND1-OD2 3.46Å; H232-D254 VanDerWaalsContact ND1-OD2 3.11Å; R233-D254 PolarHBondContact N-OD2 2.93Å; A234-D254 HydrophobicContact CB-CB 4.48Å; G252-D254 CarbonylContact C-O 3.56Å; G252-D254 PolarHBondContact O-N 3.28Å; D254-T256 PolarHBondContact O-N 3.1Å; D254-T256 WeakPolarHBondContact OD1-CA 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.38Å; D254-T256 PolarHBondContact OD1-N 3.24Å; D254-T256 PolarHBondContact OD1-OG1 2.79Å; D254-F647 HydrophobicContact CB-CD2 4.04Å; D254-F647 HydrophobicContact CB-CE1 4.38Å; D254-F647 HydrophobicContact CB-CE2 3.4Å; D254-F647 VanDerWaalsContact CB-CE2 3.4Å; D254-F647 HydrophobicContact CB-CZ 3.6Å |
| 255 | P | 93.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -76.2 | 12.3 | -173.6 | 32.6 | -37.9 | 0 | 0 | 0 | 114.1 | R279 | P255-R279 WeakPolarHBondContact CA-O 3.2Å; P255-R279 WeakPolarHBondContact CB-O 3.49Å |
| 256 | T | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | trans | -90.4 | 142.2 | -177.2 | -43.8 | 0 | 0 | 0 | 0 | 110.2 | H232 D254 F258 R273 | H232-T256 PolarHBondContact CE1-O 2.85Å; H232-T256 VanDerWaalsContact CE1-O 3.3Å; D254-T256 PolarHBondContact O-N 3.1Å; D254-T256 WeakPolarHBondContact OD1-CA 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.38Å; D254-T256 PolarHBondContact OD1-N 3.24Å; D254-T256 PolarHBondContact OD1-OG1 2.79Å; T256-F258 HydrophobicContact CG2-CD1 4.26Å; T256-F258 HydrophobicContact CG2-CD2 4.09Å; T256-F258 HydrophobicContact CG2-CE1 3.92Å; T256-F258 HydrophobicContact CG2-CE2 3.7Å; T256-F258 HydrophobicContact CG2-CG 4.37Å; T256-F258 HydrophobicContact CG2-CZ 3.63Å; T256-R273 HydrophobicContact CG2-CG 3.43Å; T256-R273 VanDerWaalsContact CG2-CG 3.43Å; T256-R273 PolarHBondContact OG1-NH2 2.89Å | ||
| 257 | I | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.1 | 162.5 | -61.7 | 164.4 | 0 | 0 | 0 | 107.9 | Y249 S250 L274 V276 L284 L291 | Y249-I257 HydrophobicContact CD1-CG2 4.43Å; S250-I257 VanDerWaalsContact O-CA 3.3Å; S250-I257 WeakPolarHBondContact O-CA 3.17Å; I257-L274 HydrophobicContact CB-CB 4.17Å; I257-L274 HydrophobicContact CG2-CD1 4.36Å; I257-L274 PolarHBondContact N-O 2.75Å; I257-L274 PolarHBondContact O-N 2.89Å; I257-V276 HydrophobicContact CD1-CB 4.35Å; I257-V276 HydrophobicContact CD1-CG2 4.18Å; I257-L284 HydrophobicContact CD1-CD2 3.78Å; I257-L284 HydrophobicContact CG1-CD2 4.17Å; I257-L284 HydrophobicContact CG2-CD1 4.27Å; I257-L291 HydrophobicContact CD1-CD2 4.33Å; I257-L291 HydrophobicContact CG2-CD2 3.92Å |
| 258 | F | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 146.4 | 171.4 | -68.1 | -70.8 | 0 | 0 | 0 | 110.7 | C231 H232 Y249 S250 T256 F260 R270 R272 R273 | C231-F258 HydrophobicContact CB-CD2 4.1Å; C231-F258 HydrophobicContact CB-CE2 3.83Å; C231-F258 HydrophobicContact CB-CZ 4.08Å; C231-F258 WeakPolarHBondContact O-CE2 3.32Å; C231-F258 WeakPolarHBondContact O-CZ 3.37Å; C231-F258 VanDerWaalsContact SG-CD2 3.52Å; H232-F258 AromaticContact CD2-CD2 3.78Å; H232-F258 AromaticContact CE1-CD2 3.64Å; H232-F258 AromaticContact ND1-CE2 3.98Å; H232-F258 AromaticContact NE2-CD2 3.45Å; H232-F258 WeakPolarHBondContact NE2-CD2 3.31Å; Y249-F258 CarbonylContact C-O 3.55Å; Y249-F258 VanDerWaalsContact CA-O 3.23Å; Y249-F258 WeakPolarHBondContact CA-O 3.35Å; S250-F258 PolarHBondContact N-O 3.24Å; S250-F258 PolarHBondContact O-N 2.85Å; T256-F258 HydrophobicContact CG2-CD1 4.26Å; T256-F258 HydrophobicContact CG2-CD2 4.09Å; T256-F258 HydrophobicContact CG2-CE1 3.92Å; T256-F258 HydrophobicContact CG2-CE2 3.7Å; T256-F258 HydrophobicContact CG2-CG 4.37Å; T256-F258 HydrophobicContact CG2-CZ 3.63Å; F258-F260 HydrophobicContact CB-CE2 3.7Å; F258-F260 HydrophobicContact CB-CZ 3.81Å; F258-R270 VanDerWaalsContact CD1-CD 3.48Å; F258-R270 HydrophobicContact CD1-CG 3.99Å; F258-R272 WeakPolarHBondContact CA-O 3.25Å; F258-R273 HydrophobicContact CD1-CB 4.12Å; F258-R273 HydrophobicContact CD1-CG 4.05Å; F258-R273 HydrophobicContact CE1-CB 4.08Å; F258-R273 HydrophobicContact CE1-CG 3.73Å; F258-R273 HydrophobicContact CZ-CG 4.49Å |
| 259 | R | 95.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.2 | 170.2 | -175.9 | 173.5 | 70.6 | 165.1 | 8.8 | 108.8 | Y247 A248 Y249 D271 R272 | Y247-R259 HydrophobicContact CD1-CG 3.85Å; Y247-R259 HydrophobicContact CG-CG 4.16Å; A248-R259 CarbonylContact O-C 3.57Å; A248-R259 WeakPolarHBondContact O-CA 3.28Å; Y249-R259 HydrophobicContact CD1-CB 3.97Å; Y249-R259 HydrophobicContact CD1-CG 4.06Å; Y249-R259 HydrophobicContact CE1-CB 3.84Å; Y249-R259 HydrophobicContact CE1-CG 3.58Å; Y249-R259 WeakPolarHBondContact OH-CD 3.28Å; R259-D271 IonicContact CZ-OD2 3.96Å; R259-D271 IonicContact NE-OD2 3.34Å; R259-D271 PolarHBondContact NE-OD2 2.78Å; R259-D271 IonicContact NH2-OD1 2.72Å; R259-D271 IonicContact NH2-OD2 3.21Å; R259-D271 PolarHBondContact NH2-OD2 3.19Å; R259-D271 PolarHBondContact O-N 2.8Å; R259-R272 HydrophobicContact CB-CB 4.07Å; R259-R272 PolarHBondContact N-O 2.75Å; R259-R272 PolarHBondContact O-N 2.86Å |
| 260 | F | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.9 | 178.1 | -54.4 | -94.7 | 0 | 0 | 0 | 109.8 | T215 F217 H229 Y247 A248 S250 F258 A269 R270 | T215-F260 HydrophobicContact CG2-CD2 4.43Å; T215-F260 HydrophobicContact CG2-CE2 3.9Å; T215-F260 HydrophobicContact CG2-CZ 4.14Å; F217-F260 HydrophobicContact CE2-CB 4.39Å; F217-F260 HydrophobicContact CE2-CD1 4.22Å; F217-F260 HydrophobicContact CE2-CG 4.24Å; F217-F260 HydrophobicContact CZ-CB 3.73Å; F217-F260 HydrophobicContact CZ-CD1 4.35Å; F217-F260 HydrophobicContact CZ-CD2 4.38Å; F217-F260 AromaticContact CZ-CG 3.92Å; F217-F260 HydrophobicContact CZ-CG 3.92Å; H229-F260 HydrophobicContact CB-CE1 3.95Å; H229-F260 HydrophobicContact CB-CZ 4.47Å; H229-F260 AromaticContact CD2-CE1 3.84Å; H229-F260 AromaticContact CG-CE1 3.83Å; Y247-F260 VanDerWaalsContact CA-O 3.3Å; Y247-F260 WeakPolarHBondContact CA-O 3.42Å; A248-F260 HydrophobicContact CB-CB 4.43Å; A248-F260 PolarHBondContact N-O 2.68Å; A248-F260 PolarHBondContact O-N 2.85Å; S250-F260 WeakPolarHBondContact OG-CE2 3.33Å; F258-F260 HydrophobicContact CB-CE2 3.7Å; F258-F260 HydrophobicContact CB-CZ 3.81Å; F260-A269 VanDerWaalsContact CA-O 3.27Å; F260-A269 WeakPolarHBondContact CA-O 3.47Å; F260-R270 HydrophobicContact CD1-CB 4.23Å; F260-R270 HydrophobicContact CE1-CB 4.16Å; F260-R270 HydrophobicContact CE1-CG 4.35Å |
| 261 | T | 95.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.7 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | A263 F268 A269 D271 | T261-A263 PolarHBondContact O-N 3.47Å; T261-F268 CarbonylContact O-C 3.49Å; T261-F268 WeakPolarHBondContact O-CA 3.44Å; T261-A269 PolarHBondContact N-O 2.88Å; T261-A269 PolarHBondContact O-N 3.07Å; T261-D271 HydrophobicContact CG2-CB 3.82Å |
| 262 | L | 94.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 122.6 | 166 | -172.5 | 63.3 | 0 | 0 | 0 | 108.4 | G266 F268 | L262-G266 WeakPolarHBondContact CD1-O 3.27Å; L262-F268 HydrophobicContact CB-CD1 4.3Å; L262-F268 HydrophobicContact CB-CE1 4.05Å; L262-F268 HydrophobicContact CD1-CD1 4.21Å; L262-F268 HydrophobicContact CD1-CD2 4.47Å; L262-F268 HydrophobicContact CD1-CE1 3.92Å; L262-F268 HydrophobicContact CD1-CE2 4.2Å; L262-F268 HydrophobicContact CD1-CG 4.47Å; L262-F268 HydrophobicContact CD1-CZ 3.91Å |
| 263 | A | 91.9 | Very high | 92.9 | Very high | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -82.8 | 164.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T261 D265 G266 T267 A269 | T261-A263 PolarHBondContact O-N 3.47Å; A263-D265 WeakPolarHBondContact CB-OD1 3.49Å; A263-D265 PolarHBondContact O-N 3.11Å; A263-G266 PolarHBondContact O-N 3.31Å; A263-T267 VanDerWaalsContact CB-O 3.3Å; A263-T267 WeakPolarHBondContact CB-O 3.36Å; A263-T267 PolarHBondContact N-O 2.95Å; A263-A269 HydrophobicContact CB-CB 4.23Å | ||
| 264 | E | 89.8 | Confident | 92.7 | Very high | 212 Ų | 212 | 52 Ų | 52 | 99% | 0.991 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.3 | -178.7 | -63.9 | -179.6 | 175 | 0 | 0 | 113.2 | G266 | E264-G266 PolarHBondContact O-N 3.13Š|
| 265 | D | 90.5 | Very high | 92.5 | Very high | 116 Ų | 116 | 58.2 Ų | 58.2 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 3.2 | 176.6 | 69 | -3.3 | 0 | 0 | 0 | 113.7 | A263 T267 | A263-D265 WeakPolarHBondContact CB-OD1 3.49Å; A263-D265 PolarHBondContact O-N 3.11Å; D265-T267 VanDerWaalsContact C-N 3.32Å; D265-T267 VanDerWaalsContact CG-OG1 3.29Å; D265-T267 VanDerWaalsContact OD1-CB 3.3Å; D265-T267 WeakPolarHBondContact OD1-CB 3.5Å; D265-T267 PolarHBondContact OD1-N 3.02Å; D265-T267 PolarHBondContact OD1-OG1 2.82Å; D265-T267 PolarHBondContact OD2-OG1 2.89Å |
| 266 | G | 89.2 | Confident | 92.3 | Very high | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 81.9 | 5.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L262 A263 E264 | L262-G266 WeakPolarHBondContact CD1-O 3.27Å; A263-G266 PolarHBondContact O-N 3.31Å; E264-G266 PolarHBondContact O-N 3.13Å |
| 267 | T | 93.2 | Very high | 92.1 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -93.6 | 144.2 | 176.1 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | Q227 A263 D265 A269 | Q227-T267 VanDerWaalsContact NE2-CB 3.32Å; A263-T267 VanDerWaalsContact CB-O 3.3Å; A263-T267 WeakPolarHBondContact CB-O 3.36Å; A263-T267 PolarHBondContact N-O 2.95Å; D265-T267 VanDerWaalsContact C-N 3.32Å; D265-T267 VanDerWaalsContact CG-OG1 3.29Å; D265-T267 VanDerWaalsContact OD1-CB 3.3Å; D265-T267 WeakPolarHBondContact OD1-CB 3.5Å; D265-T267 PolarHBondContact OD1-N 3.02Å; D265-T267 PolarHBondContact OD1-OG1 2.82Å; D265-T267 PolarHBondContact OD2-OG1 2.89Å; T267-A269 PolarHBondContact O-N 2.76Å | ||
| 268 | F | 94.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 60 Ų | 60 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 109.2 | 167.4 | -62.6 | -81.3 | 0 | 0 | 0 | 110 | M201 V205 F217 L226 Q227 H229 T261 L262 | M201-F268 HydrophobicContact CE-CE1 4.06Å; M201-F268 HydrophobicContact SD-CD1 4.24Å; M201-F268 HydrophobicContact SD-CE1 3.63Å; V205-F268 HydrophobicContact CG1-CE1 4.45Å; V205-F268 HydrophobicContact CG1-CE2 4.3Å; V205-F268 HydrophobicContact CG1-CZ 3.72Å; V205-F268 HydrophobicContact CG2-CZ 4.36Å; F217-F268 HydrophobicContact CB-CD2 3.67Å; F217-F268 HydrophobicContact CB-CE2 3.74Å; F217-F268 HydrophobicContact CB-CG 4.35Å; F217-F268 HydrophobicContact CB-CZ 4.47Å; F217-F268 HydrophobicContact CD1-CB 4.45Å; F217-F268 AromaticContact CD1-CD1 3.65Å; F217-F268 HydrophobicContact CD1-CD1 3.65Å; F217-F268 AromaticContact CD1-CD2 3.77Å; F217-F268 HydrophobicContact CD1-CD2 3.77Å; F217-F268 AromaticContact CD1-CE1 3.75Å; F217-F268 HydrophobicContact CD1-CE1 3.75Å; F217-F268 AromaticContact CD1-CE2 3.87Å; F217-F268 HydrophobicContact CD1-CE2 3.87Å; F217-F268 AromaticContact CD1-CG 3.67Å; F217-F268 HydrophobicContact CD1-CG 3.67Å; F217-F268 AromaticContact CD1-CZ 3.86Å; F217-F268 HydrophobicContact CD1-CZ 3.86Å; F217-F268 HydrophobicContact CD2-CB 3.86Å; F217-F268 AromaticContact CD2-CD2 3.94Å; F217-F268 HydrophobicContact CD2-CD2 3.94Å; F217-F268 AromaticContact CD2-CG 3.85Å; F217-F268 HydrophobicContact CD2-CG 3.85Å; F217-F268 HydrophobicContact CE1-CB 4.36Å; F217-F268 AromaticContact CE1-CD1 3.57Å; F217-F268 HydrophobicContact CE1-CD1 3.57Å; F217-F268 HydrophobicContact CE1-CD2 4.42Å; F217-F268 AromaticContact CE1-CE1 3.93Å; F217-F268 HydrophobicContact CE1-CE1 3.93Å; F217-F268 AromaticContact CE1-CG 3.85Å; F217-F268 HydrophobicContact CE1-CG 3.85Å; F217-F268 HydrophobicContact CE1-CZ 4.5Å; F217-F268 HydrophobicContact CE2-CB 3.75Å; F217-F268 HydrophobicContact CE2-CD1 4.47Å; F217-F268 HydrophobicContact CE2-CG 4.02Å; F217-F268 HydrophobicContact CG-CB 4.23Å; F217-F268 HydrophobicContact CG-CD1 4.17Å; F217-F268 AromaticContact CG-CD2 3.52Å; F217-F268 HydrophobicContact CG-CD2 3.52Å; F217-F268 HydrophobicContact CG-CE1 4.48Å; F217-F268 AromaticContact CG-CE2 3.88Å; F217-F268 HydrophobicContact CG-CE2 3.88Å; F217-F268 AromaticContact CG-CG 3.68Å; F217-F268 HydrophobicContact CG-CG 3.68Å; F217-F268 HydrophobicContact CG-CZ 4.35Å; F217-F268 HydrophobicContact CZ-CB 4.03Å; F217-F268 HydrophobicContact CZ-CD1 4.02Å; F217-F268 HydrophobicContact CZ-CG 4.03Å; L226-F268 HydrophobicContact CD1-CE2 3.94Å; Q227-F268 VanDerWaalsContact OE1-CA 3.27Å; Q227-F268 VanDerWaalsContact OE1-CB 3.27Å; Q227-F268 PolarHBondContact OE1-O 3.49Å; H229-F268 PolarHBondContact CE1-O 2.99Å; H229-F268 PolarHBondContact NE2-O 2.86Å; H229-F268 VanDerWaalsContact NE2-O 3.15Å; T261-F268 CarbonylContact O-C 3.49Å; T261-F268 WeakPolarHBondContact O-CA 3.44Å; L262-F268 HydrophobicContact CB-CD1 4.3Å; L262-F268 HydrophobicContact CB-CE1 4.05Å; L262-F268 HydrophobicContact CD1-CD1 4.21Å; L262-F268 HydrophobicContact CD1-CD2 4.47Å; L262-F268 HydrophobicContact CD1-CE1 3.92Å; L262-F268 HydrophobicContact CD1-CE2 4.2Å; L262-F268 HydrophobicContact CD1-CG 4.47Å; L262-F268 HydrophobicContact CD1-CZ 3.91Å |
| 269 | A | 92.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F260 T261 A263 T267 D271 | F260-A269 VanDerWaalsContact CA-O 3.27Å; F260-A269 WeakPolarHBondContact CA-O 3.47Å; T261-A269 PolarHBondContact N-O 2.88Å; T261-A269 PolarHBondContact O-N 3.07Å; A263-A269 HydrophobicContact CB-CB 4.23Å; T267-A269 PolarHBondContact O-N 2.76Å; A269-D271 PolarHBondContact O-N 3.05Å |
| 270 | R | 91.2 | Very high | 91.6 | Very high | 143 Ų | 143 | 59.8 Ų | 59.8 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 98.4 | 167.3 | -175.9 | -168.9 | 66.7 | -175.4 | -5 | 109.1 | F258 F260 | F258-R270 VanDerWaalsContact CD1-CD 3.48Å; F258-R270 HydrophobicContact CD1-CG 3.99Å; F260-R270 HydrophobicContact CD1-CB 4.23Å; F260-R270 HydrophobicContact CE1-CB 4.16Å; F260-R270 HydrophobicContact CE1-CG 4.35Å |
| 271 | D | 86.5 | Confident | 91.6 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -42 | -174.5 | 158.8 | 96.6 | 0 | 0 | 0 | 112.7 | R259 T261 A269 | R259-D271 IonicContact CZ-OD2 3.96Å; R259-D271 IonicContact NE-OD2 3.34Å; R259-D271 PolarHBondContact NE-OD2 2.78Å; R259-D271 IonicContact NH2-OD1 2.72Å; R259-D271 IonicContact NH2-OD2 3.21Å; R259-D271 PolarHBondContact NH2-OD2 3.19Å; R259-D271 PolarHBondContact O-N 2.8Å; T261-D271 HydrophobicContact CG2-CB 3.82Å; A269-D271 PolarHBondContact O-N 3.05Å |
| 272 | R | 88.7 | Confident | 91.6 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.2 | -176.1 | -163.2 | 170.7 | -178.2 | -176.9 | -0.1 | 113.5 | F258 R259 L274 | F258-R272 WeakPolarHBondContact CA-O 3.25Å; R259-R272 HydrophobicContact CB-CB 4.07Å; R259-R272 PolarHBondContact N-O 2.75Å; R259-R272 PolarHBondContact O-N 2.86Å; R272-L274 HydrophobicContact CG-CD2 4.12Å; R272-L274 HydrophobicContact CG-CG 4.49Å |
| 273 | R | 91.2 | Very high | 91.7 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.8 | 170.2 | -173.8 | -175.1 | 178.7 | 151.5 | 13.2 | 110 | T256 F258 F275 Y650 | T256-R273 HydrophobicContact CG2-CG 3.43Å; T256-R273 VanDerWaalsContact CG2-CG 3.43Å; T256-R273 PolarHBondContact OG1-NH2 2.89Å; F258-R273 HydrophobicContact CD1-CB 4.12Å; F258-R273 HydrophobicContact CD1-CG 4.05Å; F258-R273 HydrophobicContact CE1-CB 4.08Å; F258-R273 HydrophobicContact CE1-CG 3.73Å; F258-R273 HydrophobicContact CZ-CG 4.49Å; R273-F275 HydrophobicContact CG-CE2 4.2Å; R273-F275 HydrophobicContact CG-CZ 4.47Å; R273-F275 VanDerWaalsContact NH2-CE1 3.32Å; R273-Y650 VanDerWaalsContact NH1-CD2 3.35Å; R273-Y650 VanDerWaalsContact NH1-CZ 3.27Å; R273-Y650 VanDerWaalsContact NH2-CZ 3.25Å; R273-Y650 PolarHBondContact NH2-OH 3.14Å |
| 274 | L | 91 | Very high | 92 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.6 | 180 | -55.9 | 169.2 | 0 | 0 | 0 | 110.2 | I257 R272 V276 L291 | I257-L274 HydrophobicContact CB-CB 4.17Å; I257-L274 HydrophobicContact CG2-CD1 4.36Å; I257-L274 PolarHBondContact N-O 2.75Å; I257-L274 PolarHBondContact O-N 2.89Å; R272-L274 HydrophobicContact CG-CD2 4.12Å; R272-L274 HydrophobicContact CG-CG 4.49Å; L274-V276 HydrophobicContact CB-CG2 4.12Å; L274-L291 HydrophobicContact CD1-CD2 3.92Å |
| 275 | F | 89.2 | Confident | 92.2 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | trans | -122.1 | 87.8 | 173.2 | -65.1 | -83.4 | 0 | 0 | 0 | 108.3 | R273 | R273-F275 HydrophobicContact CG-CE2 4.2Å; R273-F275 HydrophobicContact CG-CZ 4.47Å; R273-F275 VanDerWaalsContact NH2-CE1 3.32Å | ||
| 276 | V | 89.8 | Confident | 92.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | trans | -100.5 | -48.6 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 110 | I257 L274 C301 T303 I311 R313 | I257-V276 HydrophobicContact CD1-CB 4.35Å; I257-V276 HydrophobicContact CD1-CG2 4.18Å; L274-V276 HydrophobicContact CB-CG2 4.12Å; V276-C301 HydrophobicContact CG1-CB 3.46Å; V276-C301 VanDerWaalsContact CG1-CB 3.46Å; V276-T303 WeakPolarHBondContact CG1-OG1 3.22Å; V276-T303 HydrophobicContact CG2-CG2 4.27Å; V276-T303 WeakPolarHBondContact CG2-OG1 3.38Å; V276-I311 HydrophobicContact CG1-CG2 3.98Å; V276-R313 PolarHBondContact O-NH2 2.9Å | ||
| 277 | N | 91.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | trans | -95.1 | 160.3 | 179.7 | -70.2 | 91.5 | 0 | 0 | 0 | 111.7 | V281 S293 D297 | N277-V281 HydrophobicContact CB-CG2 3.57Å; N277-S293 WeakPolarHBondContact OD1-CB 3.26Å; N277-S293 PolarHBondContact OD1-OG 3.14Å; N277-D297 WeakPolarHBondContact CA-OD2 3.37Å; N277-D297 WeakPolarHBondContact CB-OD2 3.49Å; N277-D297 PolarHBondContact ND2-OD2 2.93Å | ||
| 278 | L | 88.9 | Confident | 91.7 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -102.3 | -15.8 | 179.3 | -61.9 | 177.3 | 0 | 0 | 0 | 112.9 | D297 | L278-D297 PolarHBondContact N-OD1 3.16Å; L278-D297 PolarHBondContact N-OD2 2.93Å |
| 279 | R | 92.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -127.5 | -169.5 | 178.7 | -60.2 | -61.8 | -170.8 | -72.6 | -3.6 | 110.9 | P255 Q296 D297 P642 K643 R644 | P255-R279 WeakPolarHBondContact CA-O 3.2Å; P255-R279 WeakPolarHBondContact CB-O 3.49Å; R279-Q296 HydrophobicContact CB-CB 3.52Å; R279-Q296 HydrophobicContact CG-CB 4.24Å; R279-D297 WeakPolarHBondContact CB-OD1 3.41Å; R279-D297 WeakPolarHBondContact CG-OD1 3.48Å; R279-D297 PolarHBondContact N-OD1 2.95Å; R279-P642 PolarHBondContact NE-O 2.8Å; R279-P642 PolarHBondContact NH2-O 3Å; R279-K643 PolarHBondContact NE-O 3.01Å; R279-R644 VanDerWaalsContact CZ-N 3.3Å; R279-R644 VanDerWaalsContact NE-CA 3.32Å; R279-R644 VanDerWaalsContact NE-N 3.17Å |
| 280 | T | 95 | Very high | 91.1 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | trans | -49.5 | 135.6 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | L237 G252 K253 E282 G295 Q296 | L237-T280 HydrophobicContact CD1-CG2 3.68Å; G252-T280 WeakPolarHBondContact O-CA 3.32Å; G252-T280 WeakPolarHBondContact O-CG2 3.29Å; K253-T280 HydrophobicContact CG-CG2 4.24Å; K253-T280 PolarHBondContact O-OG1 3.21Å; T280-E282 HydrophobicContact CG2-CG 4.21Å; T280-E282 WeakPolarHBondContact CG2-OE1 3.46Å; T280-G295 WeakPolarHBondContact O-CA 3.48Å; T280-Q296 PolarHBondContact O-N 2.82Å; T280-Q296 PolarHBondContact OG1-OE1 3Å | ||
| 281 | V | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 97.6 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | S251 G252 N277 L284 | S251-V281 WeakPolarHBondContact OG-CG1 3.39Å; S251-V281 PolarHBondContact OG-O 3.31Å; S251-V281 VanDerWaalsContact OG-O 3.11Å; G252-V281 WeakPolarHBondContact CA-O 3.42Å; G252-V281 PolarHBondContact N-O 3.3Å; G252-V281 PolarHBondContact O-N 2.72Å; N277-V281 HydrophobicContact CB-CG2 3.57Å; V281-L284 HydrophobicContact CG1-CD2 3.98Å; V281-L284 HydrophobicContact CG1-CG 4.35Å |
| 282 | E | 95.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 40.7 Ų | 40.7 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -42.5 | -177.7 | -63.4 | -68 | 158.4 | 0 | 0 | 111 | L18 I19 L237 T238 T280 G294 | L18-E282 HydrophobicContact CD1-CG 3.68Å; I19-E282 WeakPolarHBondContact O-CB 3.47Å; I19-E282 WeakPolarHBondContact O-CG 3.46Å; L237-E282 WeakPolarHBondContact CD1-OE2 3.22Å; T238-E282 PolarHBondContact OG1-O 3.07Å; T280-E282 HydrophobicContact CG2-CG 4.21Å; T280-E282 WeakPolarHBondContact CG2-OE1 3.46Å; E282-G294 PolarHBondContact N-O 3.27Å |
| 283 | Q | 96.6 | Very high | 92 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.6 | -172.1 | -171 | 73.8 | 23.6 | 0 | 0 | 112.1 | F22 G294 | F22-Q283 HydrophobicContact CD1-CB 3.61Å; F22-Q283 HydrophobicContact CD1-CG 3.5Å; F22-Q283 HydrophobicContact CD2-CG 4.47Å; F22-Q283 HydrophobicContact CE1-CB 3.45Å; F22-Q283 VanDerWaalsContact CE1-CB 3.45Å; F22-Q283 HydrophobicContact CE1-CG 3.44Å; F22-Q283 VanDerWaalsContact CE1-CG 3.44Å; F22-Q283 VanDerWaalsContact CE1-O 3.3Å; F22-Q283 WeakPolarHBondContact CE1-O 3.45Å; F22-Q283 HydrophobicContact CE2-CG 4.41Å; F22-Q283 HydrophobicContact CG-CG 4.03Å; F22-Q283 HydrophobicContact CZ-CB 4.3Å; F22-Q283 HydrophobicContact CZ-CG 3.91Å; Q283-G294 PolarHBondContact N-O 2.76Å; Q283-G294 VanDerWaalsContact N-O 3.08Å; Q283-G294 PolarHBondContact O-N 3.29Å; Q283-G294 VanDerWaalsContact O-N 3.09Å |
| 284 | L | 96.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.7 | 167.2 | -68.6 | 174.9 | 0 | 0 | 0 | 110.8 | T238 C240 S251 I257 V281 L291 V292 | T238-L284 HydrophobicContact CG2-CB 3.9Å; C240-L284 HydrophobicContact CB-CB 4.49Å; S251-L284 WeakPolarHBondContact OG-CD1 3.44Å; S251-L284 VanDerWaalsContact OG-CG 3.31Å; S251-L284 WeakPolarHBondContact OG-CG 3.13Å; I257-L284 HydrophobicContact CD1-CD2 3.78Å; I257-L284 HydrophobicContact CG1-CD2 4.17Å; I257-L284 HydrophobicContact CG2-CD1 4.27Å; V281-L284 HydrophobicContact CG1-CD2 3.98Å; V281-L284 HydrophobicContact CG1-CG 4.35Å; L284-L291 HydrophobicContact CD2-CD1 4.34Å; L284-L291 HydrophobicContact CD2-CG 4.46Å; L284-V292 WeakPolarHBondContact CA-O 3.41Å |
| 285 | A | 95.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F22 V292 | F22-A285 HydrophobicContact CD2-CB 4.4Å; F22-A285 HydrophobicContact CE2-CB 3.55Å; F22-A285 HydrophobicContact CZ-CB 4.23Å; A285-V292 PolarHBondContact N-O 2.71Å; A285-V292 PolarHBondContact O-N 2.61Å |
| 286 | T | 92 | Very high | 92.7 | Very high | 41 Ų | 41 | 28.2 Ų | 28.2 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.7 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | V241 D242 Y249 L291 | V241-T286 PolarHBondContact O-OG1 3.44Å; D242-T286 HydrophobicContact CB-CG2 4.36Å; Y249-T286 HydrophobicContact CD2-CG2 4.16Å; Y249-T286 HydrophobicContact CE2-CG2 4.06Å; T286-L291 HydrophobicContact CG2-CD1 4.14Å |
| 287 | A | 87.4 | Confident | 92.8 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 20% | 0.198 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 92.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | C24 D289 W290 V292 | C24-A287 HydrophobicContact CB-CB 4.42Å; A287-D289 PolarHBondContact O-N 2.84Å; A287-W290 PolarHBondContact N-O 2.84Å; A287-W290 WeakPolarHBondContact O-CB 3.5Å; A287-W290 PolarHBondContact O-N 3.05Å; A287-V292 HydrophobicContact CB-CG2 4.17Å |
| 288 | C | 81.5 | Confident | 92.7 | Very high | 125 Ų | 125 | 28.2 Ų | 28.2 | 85% | 0.845 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -123.3 | -168.6 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | W290 | C288-W290 PolarHBondContact O-N 2.96Š|
| 289 | D | 85.2 | Confident | 92.8 | Very high | 94 Ų | 94 | 25.4 Ų | 25.4 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.9 | 179.3 | -69.8 | -20.8 | 0 | 0 | 0 | 114.7 | A287 V305 | A287-D289 PolarHBondContact O-N 2.84Å; D289-V305 PolarHBondContact O-N 3.05Å |
| 290 | W | 89.9 | Confident | 92.8 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 18% | 0.182 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | -176.6 | -62.5 | 91.4 | 0 | 0 | 0 | 111.5 | A287 C288 F302 K304 | A287-W290 PolarHBondContact N-O 2.84Å; A287-W290 WeakPolarHBondContact O-CB 3.5Å; A287-W290 PolarHBondContact O-N 3.05Å; C288-W290 PolarHBondContact O-N 2.96Å; W290-F302 HydrophobicContact CB-CD1 4.15Å; W290-F302 HydrophobicContact CD2-CB 4.32Å; W290-F302 HydrophobicContact CE3-CB 3.6Å; W290-F302 HydrophobicContact CG-CD1 4.37Å; W290-F302 HydrophobicContact CZ3-CB 3.98Å; W290-K304 HydrophobicContact CE3-CB 4.11Å; W290-K304 HydrophobicContact CH2-CB 4.17Å; W290-K304 HydrophobicContact CZ3-CB 3.85Å |
| 291 | L | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.8 | 159.6 | -177.7 | 68.8 | 0 | 0 | 0 | 108.2 | Y249 I257 L274 L284 T286 T303 V305 | Y249-L291 HydrophobicContact CD1-CD1 4.11Å; Y249-L291 HydrophobicContact CD1-CD2 3.83Å; Y249-L291 HydrophobicContact CD2-CD1 4.33Å; Y249-L291 HydrophobicContact CE1-CD1 4.46Å; Y249-L291 HydrophobicContact CE1-CD2 4.1Å; Y249-L291 HydrophobicContact CG-CD1 4.04Å; I257-L291 HydrophobicContact CD1-CD2 4.33Å; I257-L291 HydrophobicContact CG2-CD2 3.92Å; L274-L291 HydrophobicContact CD1-CD2 3.92Å; L284-L291 HydrophobicContact CD2-CD1 4.34Å; L284-L291 HydrophobicContact CD2-CG 4.46Å; T286-L291 HydrophobicContact CG2-CD1 4.14Å; L291-T303 PolarHBondContact N-O 2.68Å; L291-T303 PolarHBondContact O-N 3.44Å; L291-V305 HydrophobicContact CB-CG2 3.6Å |
| 292 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.5 | 177.1 | -165.8 | 0 | 0 | 0 | 0 | 108.1 | F22 L284 A285 A287 C301 F302 | F22-V292 HydrophobicContact CD2-CG1 4.37Å; F22-V292 HydrophobicContact CE2-CB 3.77Å; F22-V292 HydrophobicContact CE2-CG1 3.64Å; F22-V292 HydrophobicContact CZ-CB 3.95Å; F22-V292 HydrophobicContact CZ-CG1 3.81Å; F22-V292 WeakPolarHBondContact CZ-O 3.45Å; L284-V292 WeakPolarHBondContact CA-O 3.41Å; A285-V292 PolarHBondContact N-O 2.71Å; A285-V292 PolarHBondContact O-N 2.61Å; A287-V292 HydrophobicContact CB-CG2 4.17Å; V292-C301 CarbonylContact C-O 3.57Å; V292-C301 VanDerWaalsContact CA-O 3.3Å; V292-C301 WeakPolarHBondContact CA-O 3.39Å; V292-F302 HydrophobicContact CB-CD1 4.45Å; V292-F302 HydrophobicContact CB-CE1 4.27Å; V292-F302 HydrophobicContact CG1-CD1 4.33Å; V292-F302 HydrophobicContact CG1-CD2 4.5Å; V292-F302 HydrophobicContact CG1-CE1 3.93Å; V292-F302 HydrophobicContact CG1-CE2 4.16Å; V292-F302 HydrophobicContact CG1-CZ 3.85Å; V292-F302 HydrophobicContact CG2-CD1 3.58Å; V292-F302 HydrophobicContact CG2-CE1 3.35Å; V292-F302 HydrophobicContact CG2-CG 4.48Å; V292-F302 HydrophobicContact CG2-CZ 4.13Å |
| 293 | S | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.9 | 175.8 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | N277 C301 | N277-S293 WeakPolarHBondContact OD1-CB 3.26Å; N277-S293 PolarHBondContact OD1-OG 3.14Å; S293-C301 PolarHBondContact N-O 3.23Å; S293-C301 PolarHBondContact O-N 2.86Å; S293-C301 WeakPolarHBondContact OG-CB 3.43Å |
| 294 | G | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E282 Q283 | E282-G294 PolarHBondContact N-O 3.27Å; Q283-G294 PolarHBondContact N-O 2.76Å; Q283-G294 VanDerWaalsContact N-O 3.08Å; Q283-G294 PolarHBondContact O-N 3.29Å; Q283-G294 VanDerWaalsContact O-N 3.09Å |
| 295 | G | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177 | -139.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L18 I19 T280 D297 G298 | L18-G295 VanDerWaalsContact CD1-C 3.47Å; I19-G295 PolarHBondContact N-O 3.43Å; I19-G295 VanDerWaalsContact N-O 3.15Å; T280-G295 WeakPolarHBondContact O-CA 3.48Å; G295-D297 PolarHBondContact O-N 2.95Å; G295-G298 PolarHBondContact O-N 2.9Å; G295-G298 VanDerWaalsContact O-N 3.13Å |
| 296 | Q | 94.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 26.3 Ų | 26.3 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.6 | -172.7 | -80.1 | -178.9 | 3 | 0 | 0 | 114.8 | L18 R279 T280 G298 L641 | L18-Q296 HydrophobicContact CD1-CB 4.19Å; L18-Q296 HydrophobicContact CD1-CG 3.56Å; R279-Q296 HydrophobicContact CB-CB 3.52Å; R279-Q296 HydrophobicContact CG-CB 4.24Å; T280-Q296 PolarHBondContact O-N 2.82Å; T280-Q296 PolarHBondContact OG1-OE1 3Å; Q296-G298 PolarHBondContact O-N 2.83Å; Q296-L641 VanDerWaalsContact O-CD2 3.32Å; Q296-L641 WeakPolarHBondContact O-CD2 3.32Å |
| 297 | D | 91.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.6 | 174.1 | -65.5 | -16 | 0 | 0 | 0 | 112.9 | N277 L278 R279 G295 C299 Y637 | N277-D297 WeakPolarHBondContact CA-OD2 3.37Å; N277-D297 WeakPolarHBondContact CB-OD2 3.49Å; N277-D297 PolarHBondContact ND2-OD2 2.93Å; L278-D297 PolarHBondContact N-OD1 3.16Å; L278-D297 PolarHBondContact N-OD2 2.93Å; R279-D297 WeakPolarHBondContact CB-OD1 3.41Å; R279-D297 WeakPolarHBondContact CG-OD1 3.48Å; R279-D297 PolarHBondContact N-OD1 2.95Å; G295-D297 PolarHBondContact O-N 2.95Å; D297-C299 PolarHBondContact O-N 3.03Å; D297-C299 VanDerWaalsContact O-N 3.11Å; D297-Y637 WeakPolarHBondContact O-CE1 3.44Å; D297-Y637 PolarHBondContact O-OH 2.95Å |
| 298 | G | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 67.2 | 7.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E17 R35 G295 Q296 Y637 | E17-G298 WeakPolarHBondContact O-CA 3.34Å; R35-G298 PolarHBondContact NH1-O 2.93Å; G295-G298 PolarHBondContact O-N 2.9Å; G295-G298 VanDerWaalsContact O-N 3.13Å; Q296-G298 PolarHBondContact O-N 2.83Å; G298-Y637 WeakPolarHBondContact CA-OH 3.32Å |
| 299 | C | 91.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.5 | 175.2 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | I19 D297 C301 F314 Y315 | I19-C299 WeakPolarHBondContact CD1-O 3.29Å; D297-C299 PolarHBondContact O-N 3.03Å; D297-C299 VanDerWaalsContact O-N 3.11Å; C299-C301 VanDerWaalsContact SG-SG 3.65Å; C299-F314 CarbonylContact C-O 3.24Å; C299-F314 VanDerWaalsContact CA-O 3.28Å; C299-F314 WeakPolarHBondContact CA-O 3.46Å; C299-F314 WeakPolarHBondContact CB-O 3.24Å; C299-Y315 HydrophobicContact CB-CD1 3.71Å; C299-Y315 HydrophobicContact CB-CE1 3.77Å; C299-Y315 HydrophobicContact CB-CG 4.13Å |
| 300 | L | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.4 | 165.4 | -67.6 | 166.9 | 0 | 0 | 0 | 108.4 | I19 F22 V33 W43 F302 R313 F314 | I19-L300 HydrophobicContact CD1-CD2 3.8Å; I19-L300 HydrophobicContact CD1-CG 4.07Å; F22-L300 HydrophobicContact CD1-CD2 4.25Å; F22-L300 HydrophobicContact CG-CD2 4.32Å; V33-L300 HydrophobicContact CG1-CD2 4.21Å; V33-L300 HydrophobicContact CG2-CD1 3.73Å; V33-L300 HydrophobicContact CG2-CD2 3.89Å; V33-L300 HydrophobicContact CG2-CG 4.26Å; W43-L300 HydrophobicContact CD2-CD1 3.94Å; W43-L300 HydrophobicContact CG-CD1 4.08Å; W43-L300 HydrophobicContact CZ2-CD1 4.49Å; L300-F302 HydrophobicContact CB-CE2 4.07Å; L300-R313 CarbonylContact O-C 3.51Å; L300-R313 WeakPolarHBondContact O-CA 3.35Å; L300-F314 HydrophobicContact CB-CB 4.39Å; L300-F314 PolarHBondContact N-O 3.12Å; L300-F314 PolarHBondContact O-N 3.11Å |
| 301 | C | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.7 | 178.1 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | V276 V292 S293 C299 R312 | V276-C301 HydrophobicContact CG1-CB 3.46Å; V276-C301 VanDerWaalsContact CG1-CB 3.46Å; V292-C301 CarbonylContact C-O 3.57Å; V292-C301 VanDerWaalsContact CA-O 3.3Å; V292-C301 WeakPolarHBondContact CA-O 3.39Å; S293-C301 PolarHBondContact N-O 3.23Å; S293-C301 PolarHBondContact O-N 2.86Å; S293-C301 WeakPolarHBondContact OG-CB 3.43Å; C299-C301 VanDerWaalsContact SG-SG 3.65Å; C301-R312 CarbonylContact C-O 3.58Å; C301-R312 WeakPolarHBondContact CA-O 3.28Å |
| 302 | F | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.4 | 173 | -70.8 | -101 | 0 | 0 | 0 | 108.9 | I31 K45 W290 V292 L300 I311 R312 F314 | I31-F302 HydrophobicContact CD1-CE1 3.91Å; I31-F302 HydrophobicContact CD1-CZ 3.4Å; K45-F302 HydrophobicContact CD-CD1 4.37Å; K45-F302 HydrophobicContact CD-CE1 3.56Å; K45-F302 HydrophobicContact CD-CZ 3.87Å; W290-F302 HydrophobicContact CB-CD1 4.15Å; W290-F302 HydrophobicContact CD2-CB 4.32Å; W290-F302 HydrophobicContact CE3-CB 3.6Å; W290-F302 HydrophobicContact CG-CD1 4.37Å; W290-F302 HydrophobicContact CZ3-CB 3.98Å; V292-F302 HydrophobicContact CB-CD1 4.45Å; V292-F302 HydrophobicContact CB-CE1 4.27Å; V292-F302 HydrophobicContact CG1-CD1 4.33Å; V292-F302 HydrophobicContact CG1-CD2 4.5Å; V292-F302 HydrophobicContact CG1-CE1 3.93Å; V292-F302 HydrophobicContact CG1-CE2 4.16Å; V292-F302 HydrophobicContact CG1-CZ 3.85Å; V292-F302 HydrophobicContact CG2-CD1 3.58Å; V292-F302 HydrophobicContact CG2-CE1 3.35Å; V292-F302 HydrophobicContact CG2-CG 4.48Å; V292-F302 HydrophobicContact CG2-CZ 4.13Å; L300-F302 HydrophobicContact CB-CE2 4.07Å; F302-I311 WeakPolarHBondContact O-CA 3.37Å; F302-R312 HydrophobicContact CB-CB 4.41Å; F302-R312 PolarHBondContact N-O 3.07Å; F302-R312 PolarHBondContact O-N 3.26Å; F302-F314 HydrophobicContact CB-CE2 4.49Å; F302-F314 AromaticContact CD2-CD2 3.41Å; F302-F314 HydrophobicContact CD2-CD2 3.41Å; F302-F314 VanDerWaalsContact CD2-CD2 3.41Å; F302-F314 AromaticContact CD2-CE2 3.33Å; F302-F314 HydrophobicContact CD2-CE2 3.33Å; F302-F314 AromaticContact CE2-CD2 3.55Å; F302-F314 HydrophobicContact CE2-CD2 3.55Å; F302-F314 AromaticContact CE2-CE2 3.73Å; F302-F314 HydrophobicContact CE2-CE2 3.73Å; F302-F314 HydrophobicContact CG-CE2 4.12Å |
| 303 | T | 92.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.1 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | V276 L291 V305 D310 I311 | V276-T303 WeakPolarHBondContact CG1-OG1 3.22Å; V276-T303 HydrophobicContact CG2-CG2 4.27Å; V276-T303 WeakPolarHBondContact CG2-OG1 3.38Å; L291-T303 PolarHBondContact N-O 2.68Å; L291-T303 PolarHBondContact O-N 3.44Å; T303-V305 PolarHBondContact O-N 2.81Å; T303-D310 WeakPolarHBondContact CA-O 3.37Å; T303-I311 HydrophobicContact CG2-CG1 4.27Å |
| 304 | K | 89.8 | Confident | 88.2 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121 | 173.3 | -162 | -178 | -179.8 | 179.7 | 0 | 108.9 | W290 S306 D310 | W290-K304 HydrophobicContact CE3-CB 4.11Å; W290-K304 HydrophobicContact CH2-CB 4.17Å; W290-K304 HydrophobicContact CZ3-CB 3.85Å; K304-S306 VanDerWaalsContact CD-O 3.25Å; K304-S306 WeakPolarHBondContact CD-O 3.29Å; K304-S306 WeakPolarHBondContact CE-O 3.44Å; K304-S306 VanDerWaalsContact CG-O 3.32Å; K304-S306 WeakPolarHBondContact CG-O 3.33Å; K304-D310 HydrophobicContact CB-CB 4.21Å; K304-D310 PolarHBondContact N-O 2.9Å |
| 305 | V | 84 | Confident | 87.7 | Confident | 27 Ų | 27 | 48 Ų | 48 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | trans | -80.9 | -36.5 | -176.3 | -179.4 | 0 | 0 | 0 | 0 | 111 | Y249 D289 L291 T303 | Y249-V305 VanDerWaalsContact OH-CG1 3.24Å; Y249-V305 WeakPolarHBondContact OH-CG1 3.45Å; D289-V305 PolarHBondContact O-N 3.05Å; L291-V305 HydrophobicContact CB-CG2 3.6Å; T303-V305 PolarHBondContact O-N 2.81Å | ||
| 306 | S | 81.2 | Confident | 87.1 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -96.9 | 136.6 | 178.8 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | K304 | K304-S306 VanDerWaalsContact CD-O 3.25Å; K304-S306 WeakPolarHBondContact CD-O 3.29Å; K304-S306 WeakPolarHBondContact CE-O 3.44Å; K304-S306 VanDerWaalsContact CG-O 3.32Å; K304-S306 WeakPolarHBondContact CG-O 3.33Å |
| 307 | G | 78.5 | Confident | 86.5 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 71% | 0.711 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 76.7 | -146.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A309 | G307-A309 PolarHBondContact O-N 2.83Š|
| 308 | R | 76.1 | Confident | 86.1 | Confident | 230 Ų | 230 | 49.1 Ų | 49.1 | 87% | 0.868 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -61.3 | 130.1 | -178.2 | -173.2 | 177.2 | -179.1 | 174.6 | 1.6 | 110.1 | D310 | R308-D310 PolarHBondContact O-N 3.05Š|
| 309 | A | 75.7 | Confident | 85.9 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 55% | 0.554 | 26% | 0.259 | S | S | * | . | trans | -58.7 | 108.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G307 | G307-A309 PolarHBondContact O-N 2.83Š| ||
| 310 | D | 85.7 | Confident | 85.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -117.5 | 124.5 | 170.9 | -174.4 | 14.3 | 0 | 0 | 0 | 107.4 | T303 K304 R308 R312 | T303-D310 WeakPolarHBondContact CA-O 3.37Å; K304-D310 HydrophobicContact CB-CB 4.21Å; K304-D310 PolarHBondContact N-O 2.9Å; R308-D310 PolarHBondContact O-N 3.05Å; D310-R312 IonicContact OD1-NE 3.74Å; D310-R312 IonicContact OD2-CZ 2.68Å; D310-R312 IonicContact OD2-NE 3.84Å; D310-R312 PolarHBondContact OD2-NE 2.8Å; D310-R312 IonicContact OD2-NH2 3.74Å; D310-R312 PolarHBondContact OD2-NH2 2.97Å | ||
| 311 | I | 88 | Confident | 85.6 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.5 | 178.6 | -60.2 | 174.4 | 0 | 0 | 0 | 107.7 | V276 F302 T303 R313 | V276-I311 HydrophobicContact CG1-CG2 3.98Å; F302-I311 WeakPolarHBondContact O-CA 3.37Å; T303-I311 HydrophobicContact CG2-CG1 4.27Å; I311-R313 HydrophobicContact CG2-CG 4.5Å |
| 312 | R | 87.2 | Confident | 85.6 | Confident | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.7 | 177.7 | -57.4 | -175.2 | -174.9 | -171.6 | 1.5 | 109.8 | C301 F302 D310 F314 | C301-R312 CarbonylContact C-O 3.58Å; C301-R312 WeakPolarHBondContact CA-O 3.28Å; F302-R312 HydrophobicContact CB-CB 4.41Å; F302-R312 PolarHBondContact N-O 3.07Å; F302-R312 PolarHBondContact O-N 3.26Å; D310-R312 IonicContact OD1-NE 3.74Å; D310-R312 IonicContact OD2-CZ 2.68Å; D310-R312 IonicContact OD2-NE 3.84Å; D310-R312 PolarHBondContact OD2-NE 2.8Å; D310-R312 IonicContact OD2-NH2 3.74Å; D310-R312 PolarHBondContact OD2-NH2 2.97Å; R312-F314 HydrophobicContact CB-CE2 3.73Å; R312-F314 HydrophobicContact CB-CZ 3.95Å |
| 313 | R | 87.7 | Confident | 85.7 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.8 | 178.6 | -59.5 | -168.7 | 175.7 | 82.2 | 1.8 | 109.7 | V276 L300 I311 Y315 | V276-R313 PolarHBondContact O-NH2 2.9Å; L300-R313 CarbonylContact O-C 3.51Å; L300-R313 WeakPolarHBondContact O-CA 3.35Å; I311-R313 HydrophobicContact CG2-CG 4.5Å; R313-Y315 HydrophobicContact CB-CE2 3.95Å |
| 314 | F | 87.3 | Confident | 85.7 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.1 | 177.9 | -57.3 | -82.7 | 0 | 0 | 0 | 109.2 | W43 C49 C299 L300 F302 R312 | W43-F314 HydrophobicContact CH2-CB 4.47Å; W43-F314 HydrophobicContact CZ3-CB 4.08Å; C49-F314 HydrophobicContact CB-CB 4.44Å; C49-F314 HydrophobicContact CB-CD1 3.48Å; C49-F314 VanDerWaalsContact CB-CD1 3.48Å; C49-F314 HydrophobicContact CB-CD2 3.82Å; C49-F314 HydrophobicContact CB-CE1 3.48Å; C49-F314 VanDerWaalsContact CB-CE1 3.48Å; C49-F314 HydrophobicContact CB-CE2 3.82Å; C49-F314 HydrophobicContact CB-CG 3.64Å; C49-F314 HydrophobicContact CB-CZ 3.64Å; C299-F314 CarbonylContact C-O 3.24Å; C299-F314 VanDerWaalsContact CA-O 3.28Å; C299-F314 WeakPolarHBondContact CA-O 3.46Å; C299-F314 WeakPolarHBondContact CB-O 3.24Å; L300-F314 HydrophobicContact CB-CB 4.39Å; L300-F314 PolarHBondContact N-O 3.12Å; L300-F314 PolarHBondContact O-N 3.11Å; F302-F314 HydrophobicContact CB-CE2 4.49Å; F302-F314 AromaticContact CD2-CD2 3.41Å; F302-F314 HydrophobicContact CD2-CD2 3.41Å; F302-F314 VanDerWaalsContact CD2-CD2 3.41Å; F302-F314 AromaticContact CD2-CE2 3.33Å; F302-F314 HydrophobicContact CD2-CE2 3.33Å; F302-F314 AromaticContact CE2-CD2 3.55Å; F302-F314 HydrophobicContact CE2-CD2 3.55Å; F302-F314 AromaticContact CE2-CE2 3.73Å; F302-F314 HydrophobicContact CE2-CE2 3.73Å; F302-F314 HydrophobicContact CG-CE2 4.12Å; R312-F314 HydrophobicContact CB-CE2 3.73Å; R312-F314 HydrophobicContact CB-CZ 3.95Å |
| 315 | Y | 86 | Confident | 86 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 143.5 | -178.3 | -62.5 | -93 | 0 | 0 | 0 | 109.6 | W43 C299 R313 F317 Y637 | W43-Y315 WeakPolarHBondContact CH2-O 3.4Å; C299-Y315 HydrophobicContact CB-CD1 3.71Å; C299-Y315 HydrophobicContact CB-CE1 3.77Å; C299-Y315 HydrophobicContact CB-CG 4.13Å; R313-Y315 HydrophobicContact CB-CE2 3.95Å; Y315-F317 AromaticContact CD1-CE2 3.9Å; Y315-F317 HydrophobicContact CD1-CE2 3.9Å; Y315-F317 AromaticContact CD1-CZ 3.78Å; Y315-F317 HydrophobicContact CD1-CZ 3.78Å; Y315-F317 HydrophobicContact CD2-CE2 4.05Å; Y315-F317 HydrophobicContact CG-CD2 4.04Å; Y315-F317 AromaticContact CG-CE2 3.46Å; Y315-F317 HydrophobicContact CG-CE2 3.46Å; Y315-F317 VanDerWaalsContact CG-CE2 3.46Å; Y315-F317 AromaticContact CG-CZ 3.79Å; Y315-F317 HydrophobicContact CG-CZ 3.79Å; Y315-F317 PolarHBondContact O-N 3.39Å; Y315-Y637 AromaticContact CD1-CE1 3.9Å; Y315-Y637 HydrophobicContact CD1-CE1 3.9Å; Y315-Y637 HydrophobicContact CD1-CE2 4.26Å; Y315-Y637 AromaticContact CD1-CZ 3.73Å; Y315-Y637 HydrophobicContact CE1-CD1 4.09Å; Y315-Y637 AromaticContact CE1-CE1 3.6Å; Y315-Y637 HydrophobicContact CE1-CE1 3.6Å; Y315-Y637 AromaticContact CE1-CZ 3.95Å |
| 316 | S | 83.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | trans | -68.6 | 54.2 | 176.7 | 163.5 | 0 | 0 | 0 | 0 | 112.4 | K39 E41 | K39-S316 PolarHBondContact NZ-OG 3.22Å; K39-S316 VanDerWaalsContact NZ-OG 3.14Å; E41-S316 WeakPolarHBondContact OE1-CB 3.35Å; E41-S316 PolarHBondContact OE1-OG 3Å | ||
| 317 | F | 80.3 | Confident | 86.8 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | trans | -99.3 | 132.4 | 178.3 | -56.5 | -30.6 | 0 | 0 | 0 | 108.9 | P14 Y315 F617 I632 Y637 | P14-F317 HydrophobicContact CB-CD1 3.65Å; P14-F317 HydrophobicContact CB-CE1 3.59Å; P14-F317 HydrophobicContact CG-CD1 3.49Å; P14-F317 VanDerWaalsContact CG-CD1 3.49Å; P14-F317 HydrophobicContact CG-CE1 3.56Å; P14-F317 HydrophobicContact CG-CG 4.31Å; P14-F317 HydrophobicContact CG-CZ 4.39Å; Y315-F317 AromaticContact CD1-CE2 3.9Å; Y315-F317 HydrophobicContact CD1-CE2 3.9Å; Y315-F317 AromaticContact CD1-CZ 3.78Å; Y315-F317 HydrophobicContact CD1-CZ 3.78Å; Y315-F317 HydrophobicContact CD2-CE2 4.05Å; Y315-F317 HydrophobicContact CG-CD2 4.04Å; Y315-F317 AromaticContact CG-CE2 3.46Å; Y315-F317 HydrophobicContact CG-CE2 3.46Å; Y315-F317 VanDerWaalsContact CG-CE2 3.46Å; Y315-F317 AromaticContact CG-CZ 3.79Å; Y315-F317 HydrophobicContact CG-CZ 3.79Å; Y315-F317 PolarHBondContact O-N 3.39Å; F317-F617 HydrophobicContact CB-CD1 3.81Å; F317-F617 HydrophobicContact CB-CE1 4.05Å; F317-F617 AromaticContact CD2-CD1 3.77Å; F317-F617 HydrophobicContact CD2-CD1 3.77Å; F317-F617 AromaticContact CD2-CE1 3.25Å; F317-F617 HydrophobicContact CD2-CE1 3.25Å; F317-F617 AromaticContact CD2-CZ 3.71Å; F317-F617 HydrophobicContact CD2-CZ 3.71Å; F317-F617 HydrophobicContact CE2-CE1 4Å; F317-F617 AromaticContact CE2-CZ 3.98Å; F317-F617 HydrophobicContact CE2-CZ 3.98Å; F317-F617 HydrophobicContact CG-CD1 4.15Å; F317-F617 HydrophobicContact CG-CE1 4.06Å; F317-I632 HydrophobicContact CD1-CD1 4.25Å; F317-I632 HydrophobicContact CD2-CD1 3.83Å; F317-I632 HydrophobicContact CE1-CD1 4.29Å; F317-I632 HydrophobicContact CE2-CD1 3.82Å; F317-I632 HydrophobicContact CG-CD1 4.02Å; F317-I632 HydrophobicContact CZ-CD1 4.05Å; F317-Y637 AromaticContact CE1-CD2 3.98Å; F317-Y637 HydrophobicContact CE1-CD2 3.98Å; F317-Y637 AromaticContact CE1-CE2 3.76Å; F317-Y637 HydrophobicContact CE1-CE2 3.76Å; F317-Y637 AromaticContact CZ-CD2 3.67Å; F317-Y637 HydrophobicContact CZ-CD2 3.67Å; F317-Y637 AromaticContact CZ-CE2 3.69Å; F317-Y637 HydrophobicContact CZ-CE2 3.69Å; F317-Y637 HydrophobicContact CZ-CG 4.42Å | ||
| 318 | S | 84.2 | Confident | 87.3 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | trans | -127.7 | 118.4 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | E320 K321 | S318-E320 PolarHBondContact O-N 3.11Å; S318-E320 VanDerWaalsContact O-N 3.13Å; S318-E320 PolarHBondContact OG-N 2.79Å; S318-K321 WeakPolarHBondContact O-CB 3.37Å; S318-K321 PolarHBondContact O-N 2.82Å; S318-K321 VanDerWaalsContact O-N 3.11Å | ||
| 319 | P | 85.1 | Confident | 88 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -56.7 | -24.7 | 175.3 | -24.2 | 33.4 | 0 | 0 | 0 | 113.1 | K321 I322 L573 Y588 F617 | P319-K321 PolarHBondContact O-N 3.41Å; P319-I322 PolarHBondContact O-N 2.85Å; P319-L573 HydrophobicContact CG-CB 4.08Å; P319-Y588 HydrophobicContact CB-CE2 4.35Å; P319-Y588 HydrophobicContact CG-CE2 4.28Å; P319-F617 WeakPolarHBondContact CA-O 3.28Å; P319-F617 VanDerWaalsContact CB-O 3.26Å; P319-F617 WeakPolarHBondContact CB-O 3.32Å; P319-F617 WeakPolarHBondContact CG-O 3.42Å |
| 320 | E | 87.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -59.9 | -19.3 | 177 | -67.1 | -52.4 | 119.1 | 0 | 0 | 114.3 | S318 I322 K323 K482 | S318-E320 PolarHBondContact O-N 3.11Å; S318-E320 VanDerWaalsContact O-N 3.13Å; S318-E320 PolarHBondContact OG-N 2.79Å; E320-I322 PolarHBondContact O-N 2.91Å; E320-K323 WeakPolarHBondContact O-CE 3.4Å; E320-K323 PolarHBondContact O-NZ 3.29Å; E320-K323 IonicContact OE2-NZ 3.88Å; E320-K323 PolarHBondContact OE2-NZ 2.72Å; E320-K482 WeakPolarHBondContact OE1-CD 3.39Å; E320-K482 WeakPolarHBondContact OE1-CE 3.47Å; E320-K482 IonicContact OE1-NZ 2.62Å; E320-K482 PolarHBondContact OE1-NZ 3.49Å |
| 321 | K | 90.6 | Very high | 89.3 | Confident | 37 Ų | 37 | 41 Ų | 41 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -75.1 | -3.6 | 176.6 | -66.9 | -174.2 | 173.6 | -169.8 | 0 | 113.4 | S318 P319 F333 Q334 | S318-K321 WeakPolarHBondContact O-CB 3.37Å; S318-K321 PolarHBondContact O-N 2.82Å; S318-K321 VanDerWaalsContact O-N 3.11Å; P319-K321 PolarHBondContact O-N 3.41Å; K321-F333 CarbonylContact O-C 3.26Å; K321-F333 WeakPolarHBondContact O-CA 3.3Å; K321-Q334 HydrophobicContact CB-CB 4.01Å; K321-Q334 HydrophobicContact CG-CB 4.25Å; K321-Q334 PolarHBondContact O-N 2.73Å |
| 322 | I | 93.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125 | 178.7 | -56.4 | 167.9 | 0 | 0 | 0 | 107.2 | P319 E320 V331 F333 H620 F628 C630 | P319-I322 PolarHBondContact O-N 2.85Å; E320-I322 PolarHBondContact O-N 2.91Å; I322-V331 HydrophobicContact CG2-CG1 3.91Å; I322-F333 HydrophobicContact CD1-CE1 4.37Å; I322-F333 HydrophobicContact CG1-CD1 3.91Å; I322-F333 HydrophobicContact CG1-CE1 4.04Å; I322-F333 HydrophobicContact CG2-CD1 4.49Å; I322-F333 HydrophobicContact CG2-CE1 4.19Å; I322-H620 PolarHBondContact O-NE2 3.22Å; I322-F628 HydrophobicContact CG2-CE1 3.93Å; I322-C630 HydrophobicContact CD1-CB 3.61Å |
| 323 | K | 94.4 | Very high | 90 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.8 | 176.6 | -58.1 | -65.2 | 176.1 | -149.6 | 0 | 109.3 | E320 M332 I383 | E320-K323 WeakPolarHBondContact O-CE 3.4Å; E320-K323 PolarHBondContact O-NZ 3.29Å; E320-K323 IonicContact OE2-NZ 3.88Å; E320-K323 PolarHBondContact OE2-NZ 2.72Å; K323-M332 HydrophobicContact CB-CB 4.46Å; K323-M332 HydrophobicContact CB-CE 4.1Å; K323-M332 HydrophobicContact CG-CE 4.19Å; K323-M332 PolarHBondContact N-O 2.96Å; K323-M332 PolarHBondContact O-N 3.3Å; K323-I383 HydrophobicContact CB-CG2 3.86Å |
| 324 | C | 94.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 8% | 0.081 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.5 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 111 | Y326 L330 H620 | C324-Y326 VanDerWaalsContact C-N 3.31Å; C324-Y326 PolarHBondContact O-N 2.84Å; C324-L330 CarbonylContact C-O 3.55Å; C324-L330 VanDerWaalsContact CA-O 3.32Å; C324-L330 WeakPolarHBondContact CA-O 3.49Å; C324-H620 HydrophobicContact CB-CB 4.11Å; C324-H620 VanDerWaalsContact SG-CB 3.52Å; C324-H620 VanDerWaalsContact SG-CD2 3.54Å; C324-H620 VanDerWaalsContact SG-CG 3.54Å |
| 325 | A | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 86.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | D327 R328 G329 L330 I383 S384 P385 G387 | A325-D327 PolarHBondContact O-N 2.74Å; A325-R328 PolarHBondContact O-N 2.79Å; A325-R328 VanDerWaalsContact O-N 3.13Å; A325-G329 PolarHBondContact O-N 2.82Å; A325-G329 VanDerWaalsContact O-N 3.12Å; A325-L330 HydrophobicContact CB-CB 4.05Å; A325-L330 PolarHBondContact N-O 2.85Å; A325-L330 PolarHBondContact O-N 3.38Å; A325-I383 HydrophobicContact CB-CD1 3.9Å; A325-I383 HydrophobicContact CB-CG1 4.14Å; A325-I383 HydrophobicContact CB-CG2 4.42Å; A325-S384 VanDerWaalsContact CB-O 3.3Å; A325-S384 WeakPolarHBondContact CB-O 3.46Å; A325-P385 CarbonylContact C-O 3.51Å; A325-P385 VanDerWaalsContact C-O 3.24Å; A325-P385 WeakPolarHBondContact CA-O 3.33Å; A325-G387 VanDerWaalsContact CB-CA 3.49Å |
| 326 | Y | 92 | Very high | 90.7 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.7 | -167.2 | 49.3 | -106.3 | 0 | 0 | 0 | 113.8 | C324 P385 W487 S623 | C324-Y326 VanDerWaalsContact C-N 3.31Å; C324-Y326 PolarHBondContact O-N 2.84Å; Y326-P385 HydrophobicContact CD2-CB 4.35Å; Y326-P385 HydrophobicContact CE1-CB 3.98Å; Y326-P385 HydrophobicContact CE1-CG 3.93Å; Y326-P385 HydrophobicContact CE2-CB 3.56Å; Y326-P385 HydrophobicContact CE2-CG 4.22Å; Y326-P385 VanDerWaalsContact CZ-CG 3.49Å; Y326-P385 PolarHBondContact N-O 3.11Å; Y326-P385 WeakPolarHBondContact OH-CB 3.35Å; Y326-P385 WeakPolarHBondContact OH-CG 3.5Å; Y326-W487 HydrophobicContact CD1-CH2 4.36Å; Y326-W487 AromaticContact CD1-CZ3 3.86Å; Y326-W487 HydrophobicContact CD1-CZ3 3.86Å; Y326-W487 AromaticContact CD2-CZ3 3.95Å; Y326-W487 HydrophobicContact CD2-CZ3 3.95Å; Y326-W487 HydrophobicContact CE1-CE3 4.41Å; Y326-W487 AromaticContact CE1-CZ3 3.72Å; Y326-W487 HydrophobicContact CE1-CZ3 3.72Å; Y326-W487 HydrophobicContact CE2-CE3 4.29Å; Y326-W487 AromaticContact CE2-CZ3 3.82Å; Y326-W487 HydrophobicContact CE2-CZ3 3.82Å; Y326-W487 HydrophobicContact CG-CH2 4.49Å; Y326-W487 AromaticContact CG-CZ3 3.95Å; Y326-W487 HydrophobicContact CG-CZ3 3.95Å; Y326-W487 AromaticContact CZ-CZ3 3.67Å; Y326-S623 PolarHBondContact O-N 2.84Å; Y326-S623 PolarHBondContact O-OG 2.78Å |
| 327 | D | 89.8 | Confident | 91.2 | Very high | 57 Ų | 57 | 29 Ų | 29 | 31% | 0.305 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -17.6 | 177.4 | -60 | -37.2 | 0 | 0 | 0 | 113.5 | A325 P385 R579 S623 | A325-D327 PolarHBondContact O-N 2.74Å; D327-P385 WeakPolarHBondContact CB-O 3.35Å; D327-P385 PolarHBondContact N-O 3.47Å; D327-P385 VanDerWaalsContact OD2-CB 3.32Å; D327-P385 WeakPolarHBondContact OD2-CB 3.41Å; D327-R579 IonicContact OD1-NH1 2.6Å; D327-S623 WeakPolarHBondContact CA-OG 3.41Å; D327-S623 WeakPolarHBondContact OD1-CB 3.22Å; D327-S623 PolarHBondContact OD1-OG 3.12Å |
| 328 | R | 89.3 | Confident | 91.9 | Very high | 120 Ų | 120 | 28.8 Ų | 28.8 | 45% | 0.453 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 1.1 | -179.5 | -73.5 | -162.5 | 178.9 | 156.4 | 7 | 114.6 | A325 L330 D386 N388 | A325-R328 PolarHBondContact O-N 2.79Å; A325-R328 VanDerWaalsContact O-N 3.13Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 HydrophobicContact CB-CD1 4.17Å; R328-L330 HydrophobicContact CB-CG 3.9Å; R328-L330 PolarHBondContact O-N 2.83Å; R328-D386 WeakPolarHBondContact CD-O 3.39Å; R328-D386 WeakPolarHBondContact CG-O 3.48Å; R328-D386 PolarHBondContact NE-O 3.24Å; R328-D386 PolarHBondContact NH1-O 2.97Å; R328-N388 PolarHBondContact NH1-OD1 3.39Å; R328-N388 PolarHBondContact NH2-OD1 2.8Å |
| 329 | G | 89.9 | Confident | 92.4 | Very high | 14 Ų | 14 | 27 Ų | 27 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 37.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A325 L344 | A325-G329 PolarHBondContact O-N 2.82Å; A325-G329 VanDerWaalsContact O-N 3.12Å; G329-L344 WeakPolarHBondContact O-CB 3.49Å; G329-L344 VanDerWaalsContact O-CG 3.24Å; G329-L344 WeakPolarHBondContact O-CG 3.36Å; G329-L344 PolarHBondContact O-N 2.97Å |
| 330 | L | 93.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 143.5 | 173.7 | -48.3 | 175.1 | 0 | 0 | 0 | 110.3 | C324 A325 R328 L341 W342 K343 I368 | C324-L330 CarbonylContact C-O 3.55Å; C324-L330 VanDerWaalsContact CA-O 3.32Å; C324-L330 WeakPolarHBondContact CA-O 3.49Å; A325-L330 HydrophobicContact CB-CB 4.05Å; A325-L330 PolarHBondContact N-O 2.85Å; A325-L330 PolarHBondContact O-N 3.38Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 HydrophobicContact CB-CD1 4.17Å; R328-L330 HydrophobicContact CB-CG 3.9Å; R328-L330 PolarHBondContact O-N 2.83Å; L330-L341 HydrophobicContact CB-CD1 3.96Å; L330-L341 HydrophobicContact CB-CG 4.49Å; L330-L341 HydrophobicContact CD1-CD2 4.26Å; L330-W342 CarbonylContact C-O 3.56Å; L330-W342 VanDerWaalsContact CA-O 3.27Å; L330-W342 WeakPolarHBondContact CA-O 3.05Å; L330-K343 HydrophobicContact CD2-CB 3.99Å; L330-K343 HydrophobicContact CD2-CG 4.05Å; L330-I368 HydrophobicContact CD1-CD1 4.26Å; L330-I368 HydrophobicContact CD2-CD1 3.9Å |
| 331 | V | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.2 | 178 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | I322 F333 W342 L344 F628 | I322-V331 HydrophobicContact CG2-CG1 3.91Å; V331-F333 HydrophobicContact CB-CE2 4.34Å; V331-F333 HydrophobicContact CB-CZ 4.45Å; V331-F333 HydrophobicContact CG1-CD2 4.46Å; V331-F333 HydrophobicContact CG1-CE1 4.06Å; V331-F333 HydrophobicContact CG1-CE2 3.87Å; V331-F333 HydrophobicContact CG1-CZ 3.64Å; V331-W342 PolarHBondContact N-O 3.12Å; V331-W342 PolarHBondContact O-N 3.06Å; V331-L344 HydrophobicContact CG2-CD1 4.09Å; V331-L344 HydrophobicContact CG2-CD2 3.76Å; V331-L344 HydrophobicContact CG2-CG 3.96Å; V331-F628 HydrophobicContact CB-CE2 4.48Å; V331-F628 HydrophobicContact CB-CZ 4.34Å; V331-F628 HydrophobicContact CG1-CE1 3.86Å; V331-F628 HydrophobicContact CG1-CE2 4.33Å; V331-F628 HydrophobicContact CG1-CZ 3.72Å; V331-F628 HydrophobicContact CG2-CD1 4.35Å; V331-F628 HydrophobicContact CG2-CD2 3.9Å; V331-F628 HydrophobicContact CG2-CE1 4.26Å; V331-F628 HydrophobicContact CG2-CE2 3.77Å; V331-F628 HydrophobicContact CG2-CG 4.18Å; V331-F628 HydrophobicContact CG2-CZ 3.98Å |
| 332 | M | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.5 | 176.2 | -169 | 176.3 | 67.9 | 0 | 0 | 109.8 | K323 L339 T340 L341 I383 F390 | K323-M332 HydrophobicContact CB-CB 4.46Å; K323-M332 HydrophobicContact CB-CE 4.1Å; K323-M332 HydrophobicContact CG-CE 4.19Å; K323-M332 PolarHBondContact N-O 2.96Å; K323-M332 PolarHBondContact O-N 3.3Å; M332-L339 HydrophobicContact CG-CB 4.44Å; M332-L339 HydrophobicContact SD-CB 4.42Å; M332-L339 HydrophobicContact SD-CD1 3.96Å; M332-T340 CarbonylContact C-O 3.53Å; M332-T340 VanDerWaalsContact CA-O 3.31Å; M332-T340 WeakPolarHBondContact CA-O 3.42Å; M332-L341 HydrophobicContact CB-CD1 3.88Å; M332-L341 HydrophobicContact CG-CD1 4.44Å; M332-I383 HydrophobicContact CB-CD1 4.36Å; M332-I383 HydrophobicContact CE-CB 4.08Å; M332-I383 HydrophobicContact SD-CB 4.25Å; M332-F390 HydrophobicContact SD-CB 4.13Å |
| 333 | F | 94.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.1 | 174.2 | -62.2 | -77.7 | 0 | 0 | 0 | 110.4 | F9 Y12 K321 I322 V331 L339 T340 W342 F628 | F9-F333 HydrophobicContact CD1-CE1 4.39Å; F9-F333 HydrophobicContact CD1-CE2 4.07Å; F9-F333 AromaticContact CD1-CZ 3.52Å; F9-F333 HydrophobicContact CD1-CZ 3.52Å; F9-F333 HydrophobicContact CE1-CE1 4.49Å; F9-F333 AromaticContact CE1-CE2 3.61Å; F9-F333 HydrophobicContact CE1-CE2 3.61Å; F9-F333 AromaticContact CE1-CZ 3.53Å; F9-F333 HydrophobicContact CE1-CZ 3.53Å; F9-F333 HydrophobicContact CG-CZ 4.24Å; F9-F333 AromaticContact CZ-CE2 3.97Å; F9-F333 HydrophobicContact CZ-CE2 3.97Å; F9-F333 HydrophobicContact CZ-CZ 4.27Å; Y12-F333 AromaticContact CD1-CD1 3.9Å; Y12-F333 HydrophobicContact CD1-CD1 3.9Å; Y12-F333 HydrophobicContact CD1-CE1 4.1Å; Y12-F333 HydrophobicContact CD2-CB 3.78Å; Y12-F333 AromaticContact CD2-CD1 3.44Å; Y12-F333 HydrophobicContact CD2-CD1 3.44Å; Y12-F333 VanDerWaalsContact CD2-CD1 3.44Å; Y12-F333 HydrophobicContact CD2-CD2 4.41Å; Y12-F333 HydrophobicContact CD2-CE1 4.12Å; Y12-F333 AromaticContact CD2-CG 3.62Å; Y12-F333 HydrophobicContact CD2-CG 3.62Å; Y12-F333 HydrophobicContact CE1-CD1 4.2Å; Y12-F333 HydrophobicContact CE2-CB 3.65Å; Y12-F333 AromaticContact CE2-CD1 3.8Å; Y12-F333 HydrophobicContact CE2-CD1 3.8Å; Y12-F333 AromaticContact CE2-CG 3.96Å; Y12-F333 HydrophobicContact CE2-CG 3.96Å; Y12-F333 AromaticContact CG-CD1 3.5Å; Y12-F333 HydrophobicContact CG-CD1 3.5Å; Y12-F333 VanDerWaalsContact CG-CD1 3.5Å; Y12-F333 AromaticContact CG-CE1 3.73Å; Y12-F333 HydrophobicContact CG-CE1 3.73Å; Y12-F333 HydrophobicContact CG-CG 4.12Å; K321-F333 CarbonylContact O-C 3.26Å; K321-F333 WeakPolarHBondContact O-CA 3.3Å; I322-F333 HydrophobicContact CD1-CE1 4.37Å; I322-F333 HydrophobicContact CG1-CD1 3.91Å; I322-F333 HydrophobicContact CG1-CE1 4.04Å; I322-F333 HydrophobicContact CG2-CD1 4.49Å; I322-F333 HydrophobicContact CG2-CE1 4.19Å; V331-F333 HydrophobicContact CB-CE2 4.34Å; V331-F333 HydrophobicContact CB-CZ 4.45Å; V331-F333 HydrophobicContact CG1-CD2 4.46Å; V331-F333 HydrophobicContact CG1-CE1 4.06Å; V331-F333 HydrophobicContact CG1-CE2 3.87Å; V331-F333 HydrophobicContact CG1-CZ 3.64Å; F333-L339 WeakPolarHBondContact O-CA 3.33Å; F333-T340 PolarHBondContact N-O 2.81Å; F333-T340 PolarHBondContact O-N 2.85Å; F333-W342 AromaticContact CD2-CD1 3.5Å; F333-W342 HydrophobicContact CD2-CG 4.26Å; F333-W342 AromaticContact CD2-NE1 3.87Å; F333-W342 HydrophobicContact CE2-CB 4.45Å; F333-W342 AromaticContact CE2-CD1 3.74Å; F333-W342 HydrophobicContact CE2-CG 4.05Å; F333-F628 HydrophobicContact CZ-CZ 4.11Å |
| 334 | Q | 94.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.5 | 173.9 | -179.4 | -179.2 | -35.5 | 0 | 0 | 110.5 | Y12 K321 L339 I378 L379 S381 | Y12-Q334 PolarHBondContact OH-O 3.28Å; Y12-Q334 VanDerWaalsContact OH-O 3.12Å; K321-Q334 HydrophobicContact CB-CB 4.01Å; K321-Q334 HydrophobicContact CG-CB 4.25Å; K321-Q334 PolarHBondContact O-N 2.73Å; Q334-L339 HydrophobicContact CB-CD2 3.77Å; Q334-L339 HydrophobicContact CG-CD2 3.82Å; Q334-I378 HydrophobicContact CG-CB 4.21Å; Q334-I378 HydrophobicContact CG-CG2 3.92Å; Q334-I378 PolarHBondContact NE2-O 3.45Å; Q334-L379 PolarHBondContact NE2-O 3.19Å; Q334-L379 VanDerWaalsContact NE2-O 3.11Å; Q334-S381 PolarHBondContact OE1-OG 3.11Å |
| 335 | H | 91.9 | Very high | 92.9 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | trans | -101.4 | -177.8 | 166.6 | -55.6 | -83.8 | 0 | 0 | 0 | 109.4 | Y12 S338 T340 | Y12-H335 AromaticContact CD2-CE1 4Å; Y12-H335 AromaticContact CE2-CE1 3.55Å; H335-S338 WeakPolarHBondContact CA-O 3.31Å; H335-S338 WeakPolarHBondContact CB-O 3.08Å; H335-S338 WeakPolarHBondContact CB-OG 3.4Å; H335-S338 PolarHBondContact N-O 2.98Å; H335-T340 PolarHBondContact NE2-OG1 3.29Å | ||
| 336 | K | 90.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -62.8 | -47.5 | 179.7 | -172.9 | 173 | -177.5 | 165.5 | 0 | 112 | E17 D38 Y56 P377 I378 | E17-K336 IonicContact OE2-NZ 2.76Å; E17-K336 PolarHBondContact OE2-NZ 3.31Å; D38-K336 VanDerWaalsContact CG-NZ 3.32Å; D38-K336 WeakPolarHBondContact OD1-CE 3.3Å; D38-K336 IonicContact OD1-NZ 3.11Å; D38-K336 PolarHBondContact OD1-NZ 2.6Å; D38-K336 WeakPolarHBondContact OD2-CE 3.35Å; D38-K336 IonicContact OD2-NZ 3.42Å; D38-K336 PolarHBondContact OD2-NZ 3.35Å; Y56-K336 HydrophobicContact CE1-CD 4.49Å; Y56-K336 HydrophobicContact CE1-CG 4.36Å; K336-P377 HydrophobicContact CG-CB 4.43Å; K336-P377 CarbonylContact O-C 3.49Å; K336-P377 VanDerWaalsContact O-CA 3.28Å; K336-P377 WeakPolarHBondContact O-CA 3.27Å; K336-I378 PolarHBondContact O-N 3.36Å |
| 337 | Y | 92.6 | Very high | 92.2 | Very high | 72 Ų | 72 | 30.2 Ų | 30.2 | 28% | 0.282 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -121.2 | 9.3 | -174.3 | -54.8 | -62.7 | 0 | 0 | 0 | 114 | D38 K372 T373 P377 | D38-Y337 PolarHBondContact OD2-OH 3.09Å; Y337-K372 WeakPolarHBondContact O-CA 3.26Å; Y337-T373 PolarHBondContact O-N 2.87Å; Y337-T373 PolarHBondContact O-OG1 2.96Å; Y337-T373 VanDerWaalsContact O-OG1 3.1Å; Y337-P377 HydrophobicContact CE1-CB 4.42Å; Y337-P377 HydrophobicContact CE1-CG 3.81Å |
| 338 | S | 94.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 30 Ų | 30 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.5 | -177.7 | 59 | 0 | 0 | 0 | 0 | 112.8 | H335 F371 | H335-S338 WeakPolarHBondContact CA-O 3.31Å; H335-S338 WeakPolarHBondContact CB-O 3.08Å; H335-S338 WeakPolarHBondContact CB-OG 3.4Å; H335-S338 PolarHBondContact N-O 2.98Å; S338-F371 CarbonylContact C-O 3.51Å; S338-F371 WeakPolarHBondContact CA-O 3.14Å; S338-F371 WeakPolarHBondContact CB-O 3.22Å |
| 339 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.2 | 164.8 | -57.9 | 178.9 | 0 | 0 | 0 | 107.8 | M332 F333 Q334 C370 F371 I378 F390 C392 | M332-L339 HydrophobicContact CG-CB 4.44Å; M332-L339 HydrophobicContact SD-CB 4.42Å; M332-L339 HydrophobicContact SD-CD1 3.96Å; F333-L339 WeakPolarHBondContact O-CA 3.33Å; Q334-L339 HydrophobicContact CB-CD2 3.77Å; Q334-L339 HydrophobicContact CG-CD2 3.82Å; L339-C370 WeakPolarHBondContact O-CA 3Å; L339-F371 HydrophobicContact CB-CB 4.32Å; L339-F371 HydrophobicContact CB-CD1 4.42Å; L339-F371 HydrophobicContact CD1-CD1 4.2Å; L339-F371 HydrophobicContact CG-CD1 4.2Å; L339-F371 PolarHBondContact N-O 3.21Å; L339-F371 PolarHBondContact O-N 2.77Å; L339-I378 HydrophobicContact CD2-CD1 3.7Å; L339-I378 HydrophobicContact CD2-CG2 4.42Å; L339-I378 HydrophobicContact CG-CD1 3.75Å; L339-F390 HydrophobicContact CD1-CD2 4.01Å; L339-F390 HydrophobicContact CD1-CE2 4.34Å; L339-C392 HydrophobicContact CD1-CB 3.99Å |
| 340 | T | 94.6 | Very high | 90.4 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.5 | 169.7 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | M332 F333 H335 W342 M369 | M332-T340 CarbonylContact C-O 3.53Å; M332-T340 VanDerWaalsContact CA-O 3.31Å; M332-T340 WeakPolarHBondContact CA-O 3.42Å; F333-T340 PolarHBondContact N-O 2.81Å; F333-T340 PolarHBondContact O-N 2.85Å; H335-T340 PolarHBondContact NE2-OG1 3.29Å; T340-W342 PolarHBondContact OG1-NE1 3.47Å; T340-M369 CarbonylContact C-O 3.59Å; T340-M369 WeakPolarHBondContact CA-O 3.42Å |
| 341 | L | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.6 | 178.6 | -174.3 | 65.9 | 0 | 0 | 0 | 109.3 | L330 M332 I368 M369 I383 L403 | L330-L341 HydrophobicContact CB-CD1 3.96Å; L330-L341 HydrophobicContact CB-CG 4.49Å; L330-L341 HydrophobicContact CD1-CD2 4.26Å; M332-L341 HydrophobicContact CB-CD1 3.88Å; M332-L341 HydrophobicContact CG-CD1 4.44Å; L341-I368 HydrophobicContact CB-CG1 4.16Å; L341-I368 HydrophobicContact CD2-CD1 3.77Å; L341-I368 HydrophobicContact CD2-CG1 4.14Å; L341-I368 HydrophobicContact CG-CD1 3.89Å; L341-I368 HydrophobicContact CG-CG1 3.92Å; L341-I368 WeakPolarHBondContact O-CG1 3.34Å; L341-I368 PolarHBondContact O-N 2.86Å; L341-M369 HydrophobicContact CB-CB 4.05Å; L341-M369 HydrophobicContact CB-CE 3.76Å; L341-M369 HydrophobicContact CB-SD 4.3Å; L341-M369 HydrophobicContact CD2-CE 3.88Å; L341-M369 HydrophobicContact CG-CE 4.43Å; L341-M369 PolarHBondContact N-O 2.83Å; L341-M369 PolarHBondContact O-N 3.42Å; L341-I383 HydrophobicContact CD1-CD1 3.41Å; L341-I383 VanDerWaalsContact CD1-CD1 3.41Å; L341-I383 HydrophobicContact CD2-CD1 4.33Å; L341-L403 HydrophobicContact CD2-CD1 4.38Å; L341-L403 HydrophobicContact CD2-CD2 3.58Å |
| 342 | W | 94 | Very high | 87.6 | Confident | 48 Ų | 48 | 40 Ų | 40 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.1 | -173.8 | -69.1 | 70.1 | 0 | 0 | 0 | 110.6 | F9 L330 V331 F333 T340 Q366 E367 | F9-W342 HydrophobicContact CE2-CD2 4.2Å; F9-W342 AromaticContact CE2-CE3 3.81Å; F9-W342 HydrophobicContact CE2-CE3 3.81Å; F9-W342 HydrophobicContact CE2-CZ3 4.27Å; F9-W342 AromaticContact CZ-CD2 3.82Å; F9-W342 HydrophobicContact CZ-CD2 3.82Å; F9-W342 AromaticContact CZ-CE3 3.75Å; F9-W342 HydrophobicContact CZ-CE3 3.75Å; F9-W342 HydrophobicContact CZ-CG 4.36Å; F9-W342 HydrophobicContact CZ-CH2 4.4Å; F9-W342 HydrophobicContact CZ-CZ2 4.47Å; F9-W342 HydrophobicContact CZ-CZ3 4.05Å; L330-W342 CarbonylContact C-O 3.56Å; L330-W342 VanDerWaalsContact CA-O 3.27Å; L330-W342 WeakPolarHBondContact CA-O 3.05Å; V331-W342 PolarHBondContact N-O 3.12Å; V331-W342 PolarHBondContact O-N 3.06Å; F333-W342 AromaticContact CD2-CD1 3.5Å; F333-W342 HydrophobicContact CD2-CG 4.26Å; F333-W342 AromaticContact CD2-NE1 3.87Å; F333-W342 HydrophobicContact CE2-CB 4.45Å; F333-W342 AromaticContact CE2-CD1 3.74Å; F333-W342 HydrophobicContact CE2-CG 4.05Å; T340-W342 PolarHBondContact OG1-NE1 3.47Å; W342-Q366 CarbonylContact C-O 3.54Å; W342-Q366 VanDerWaalsContact CA-O 3.29Å; W342-Q366 WeakPolarHBondContact CA-O 3.41Å; W342-E367 HydrophobicContact CD2-CB 4.02Å; W342-E367 HydrophobicContact CE3-CB 4.21Å; W342-E367 HydrophobicContact CH2-CB 3.96Å; W342-E367 HydrophobicContact CZ2-CB 3.74Å; W342-E367 HydrophobicContact CZ2-CG 4.18Å; W342-E367 WeakPolarHBondContact CZ2-OE2 3.32Å; W342-E367 HydrophobicContact CZ3-CB 4.19Å |
| 343 | K | 92.9 | Very high | 86.1 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128 | 162.8 | -169.7 | -167.5 | 173.3 | -158.9 | 0 | 108 | L330 E346 P365 Q366 I368 | L330-K343 HydrophobicContact CD2-CB 3.99Å; L330-K343 HydrophobicContact CD2-CG 4.05Å; K343-E346 IonicContact NZ-OE1 3.57Å; K343-E346 PolarHBondContact NZ-OE1 2.88Å; K343-P365 VanDerWaalsContact O-CA 3.24Å; K343-P365 WeakPolarHBondContact O-CA 3.27Å; K343-Q366 PolarHBondContact N-O 3.28Å; K343-Q366 PolarHBondContact O-N 2.96Å; K343-I368 HydrophobicContact CB-CG2 4.08Å |
| 344 | L | 91.5 | Very high | 85.1 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 153.3 | 173.5 | -66.6 | 176.3 | 0 | 0 | 0 | 111.2 | H7 G329 V331 L622 F628 | H7-L344 HydrophobicContact CB-CD1 4.42Å; G329-L344 WeakPolarHBondContact O-CB 3.49Å; G329-L344 VanDerWaalsContact O-CG 3.24Å; G329-L344 WeakPolarHBondContact O-CG 3.36Å; G329-L344 PolarHBondContact O-N 2.97Å; V331-L344 HydrophobicContact CG2-CD1 4.09Å; V331-L344 HydrophobicContact CG2-CD2 3.76Å; V331-L344 HydrophobicContact CG2-CG 3.96Å; L344-L622 HydrophobicContact CD1-CD1 3.9Å; L344-F628 HydrophobicContact CD1-CD2 4.15Å; L344-F628 HydrophobicContact CD2-CD2 3.7Å; L344-F628 HydrophobicContact CD2-CE2 3.74Å |
| 345 | G | 88.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 159.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q363 | G345-Q363 CarbonylContact C-O 3.54Å; G345-Q363 WeakPolarHBondContact CA-O 3.28Å |
| 346 | E | 86.5 | Confident | 83.7 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.1 | 177.3 | -68.9 | 175.3 | -157.8 | 0 | 0 | 109.6 | K343 L361 S362 Q363 | K343-E346 IonicContact NZ-OE1 3.57Å; K343-E346 PolarHBondContact NZ-OE1 2.88Å; E346-L361 CarbonylContact O-C 3.59Å; E346-L361 WeakPolarHBondContact O-CA 3.02Å; E346-S362 PolarHBondContact O-N 3.08Å; E346-S362 PolarHBondContact O-OG 3.27Å; E346-S362 VanDerWaalsContact O-OG 3.05Å; E346-Q363 HydrophobicContact CB-CB 4.27Å; E346-Q363 PolarHBondContact N-O 3.27Å; E346-Q363 PolarHBondContact O-N 3.2Å |
| 347 | P | 86.8 | Confident | 83.4 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 146.4 | 177.7 | 30.1 | -34 | 0 | 0 | 0 | 111 | V349 L359 S362 | P347-V349 VanDerWaalsContact C-N 3.33Å; P347-L359 HydrophobicContact CB-CB 4.22Å; P347-L359 HydrophobicContact CB-CD1 3.95Å; P347-S362 PolarHBondContact O-OG 2.87Å |
| 348 | A | 81.6 | Confident | 83 | Confident | 54 Ų | 54 | 63 Ų | 63 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -75 | -23 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S360 | A348-S360 PolarHBondContact N-O 3.47Š|
| 349 | V | 78.2 | Confident | 82.6 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -132.9 | 143.2 | -177.9 | -166.8 | 0 | 0 | 0 | 0 | 108.7 | P347 | P347-V349 VanDerWaalsContact C-N 3.33Š|
| 350 | S | 70.1 | Confident | 82.1 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 69% | 0.685 | 42% | 0.424 | S | S | * | . | trans | -66.2 | 140.6 | 170.1 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | S352 | S350-S352 PolarHBondContact O-N 2.89Å; S350-S352 PolarHBondContact O-OG 3.37Å | ||
| 351 | A | 66.9 | Low | 81.8 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 49% | 0.488 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -58.6 | 105.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 352 | S | 63.4 | Low | 81.5 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 78% | 0.783 | 46% | 0.463 | S | S | * | . | trans | -127.3 | 3 | 176.8 | 54.4 | 0 | 0 | 0 | 0 | 113 | S350 | S350-S352 PolarHBondContact O-N 2.89Å; S350-S352 PolarHBondContact O-OG 3.37Å | ||
| 353 | G | 63.2 | Low | 81.2 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 53% | 0.526 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -108.2 | -166.9 | -169 | 0 | 0 | 0 | 0 | 0 | 116.2 | E357 | G353-E357 VanDerWaalsContact CA-OE2 3.3Å; G353-E357 WeakPolarHBondContact CA-OE2 3.37Å |
| 354 | A | 74.7 | Confident | 81 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | trans | -69 | 153.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F356 E357 | A354-F356 PolarHBondContact O-N 2.9Å; A354-E357 WeakPolarHBondContact O-CB 3.13Å; A354-E357 PolarHBondContact O-N 3.43Å | ||
| 355 | P | 77.5 | Confident | 80.9 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 74% | 0.74 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.9 | 174.6 | -24.6 | 33.1 | 0 | 0 | 0 | 112 | E357 | P355-E357 VanDerWaalsContact C-N 3.29Å; P355-E357 PolarHBondContact O-N 2.79Å |
| 356 | F | 79.5 | Confident | 81 | Confident | 124 Ų | 124 | 85 Ų | 85 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 16.6 | 179.7 | -46.6 | -78.2 | 0 | 0 | 0 | 116 | A354 V358 Q612 W613 | A354-F356 PolarHBondContact O-N 2.9Å; F356-V358 PolarHBondContact O-N 3.34Å; F356-Q612 HydrophobicContact CD1-CB 4.4Å; F356-Q612 HydrophobicContact CD1-CG 3.72Å; F356-Q612 HydrophobicContact CE1-CB 4.48Å; F356-Q612 HydrophobicContact CE1-CG 3.81Å; F356-Q612 HydrophobicContact CG-CG 4.13Å; F356-Q612 HydrophobicContact CZ-CG 4.31Å; F356-W613 AromaticContact CD1-CH2 3.86Å; F356-W613 HydrophobicContact CD1-CH2 3.86Å; F356-W613 HydrophobicContact CD1-CZ2 4.2Å; F356-W613 AromaticContact CE1-CH2 3.78Å; F356-W613 HydrophobicContact CE1-CH2 3.78Å; F356-W613 HydrophobicContact CE1-CZ3 4.14Å |
| 357 | E | 84 | Confident | 81.3 | Confident | 118 Ų | 118 | 85 Ų | 85 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | trans | -62.2 | 131 | 167 | -173.4 | 173.2 | 171.1 | 0 | 0 | 110.9 | G353 A354 P355 L359 | G353-E357 VanDerWaalsContact CA-OE2 3.3Å; G353-E357 WeakPolarHBondContact CA-OE2 3.37Å; A354-E357 WeakPolarHBondContact O-CB 3.13Å; A354-E357 PolarHBondContact O-N 3.43Å; P355-E357 VanDerWaalsContact C-N 3.29Å; P355-E357 PolarHBondContact O-N 2.79Å; E357-L359 PolarHBondContact O-N 3.35Å | ||
| 358 | V | 84.8 | Confident | 81.5 | Confident | 137 Ų | 137 | 83 Ų | 83 | 83% | 0.83 | 50% | 0.503 | S | S | * | . | trans | -84.4 | 109.9 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | F356 | F356-V358 PolarHBondContact O-N 3.34Š| ||
| 359 | L | 85.2 | Confident | 82.1 | Confident | 53 Ų | 53 | 80.7 Ų | 80.7 | 28% | 0.277 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -77 | 137.8 | 179.2 | -56.6 | 177.6 | 0 | 0 | 0 | 110.6 | P347 E357 | P347-L359 HydrophobicContact CB-CB 4.22Å; P347-L359 HydrophobicContact CB-CD1 3.95Å; E357-L359 PolarHBondContact O-N 3.35Å |
| 360 | S | 85.9 | Confident | 82.8 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69 | 142.8 | 168.3 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | A348 | A348-S360 PolarHBondContact N-O 3.47Š|
| 361 | L | 88 | Confident | 83.9 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132 | 177 | -65.5 | 175 | 0 | 0 | 0 | 109.8 | E346 | E346-L361 CarbonylContact O-C 3.59Å; E346-L361 WeakPolarHBondContact O-CA 3.02Å |
| 362 | S | 88.2 | Confident | 85.2 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -33.6 | 164.9 | 51.1 | 0 | 0 | 0 | 0 | 111 | E346 P347 | E346-S362 PolarHBondContact O-N 3.08Å; E346-S362 PolarHBondContact O-OG 3.27Å; E346-S362 VanDerWaalsContact O-OG 3.05Å; P347-S362 PolarHBondContact O-OG 2.87Å |
| 363 | Q | 88 | Confident | 86.6 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.1 | 173.2 | -64.4 | -176.9 | 9.6 | 0 | 0 | 109.2 | G345 E346 | G345-Q363 CarbonylContact C-O 3.54Å; G345-Q363 WeakPolarHBondContact CA-O 3.28Å; E346-Q363 HydrophobicContact CB-CB 4.27Å; E346-Q363 PolarHBondContact N-O 3.27Å; E346-Q363 PolarHBondContact O-N 3.2Å |
| 364 | H | 88.6 | Confident | 87.8 | Confident | 148 Ų | 148 | 75.8 Ų | 75.8 | 69% | 0.685 | 43% | 0.426 | S | S | * | . | trans | -74.1 | 149 | 172.6 | -71.5 | -79.2 | 0 | 0 | 0 | 110.6 | Q366 | H364-Q366 PolarHBondContact O-N 3.33Š| ||
| 365 | P | 90.2 | Very high | 88.5 | Confident | 42 Ų | 42 | 77 Ų | 77 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | trans | -58.6 | 138.8 | 174.3 | 25.1 | -34.1 | 0 | 0 | 0 | 110.5 | F9 K343 | F9-P365 HydrophobicContact CD2-CB 4.45Å; F9-P365 HydrophobicContact CE2-CB 4.09Å; F9-P365 HydrophobicContact CE2-CG 4.3Å; K343-P365 VanDerWaalsContact O-CA 3.24Å; K343-P365 WeakPolarHBondContact O-CA 3.27Å | ||
| 366 | Q | 90.5 | Very high | 89.1 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.5 | -173.6 | -169.9 | -172.8 | -12.1 | 0 | 0 | 110.8 | W342 K343 H364 I368 G415 | W342-Q366 CarbonylContact C-O 3.54Å; W342-Q366 VanDerWaalsContact CA-O 3.29Å; W342-Q366 WeakPolarHBondContact CA-O 3.41Å; K343-Q366 PolarHBondContact N-O 3.28Å; K343-Q366 PolarHBondContact O-N 2.96Å; H364-Q366 PolarHBondContact O-N 3.33Å; Q366-I368 PolarHBondContact O-N 3.18Å; Q366-G415 PolarHBondContact NE2-O 3.37Å |
| 367 | E | 91.6 | Very high | 89.7 | Confident | 81 Ų | 81 | 67 Ų | 67 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.9 | 165.7 | -170.8 | 176.2 | 144.2 | 0 | 0 | 109.5 | W342 C370 | W342-E367 HydrophobicContact CD2-CB 4.02Å; W342-E367 HydrophobicContact CE3-CB 4.21Å; W342-E367 HydrophobicContact CH2-CB 3.96Å; W342-E367 HydrophobicContact CZ2-CB 3.74Å; W342-E367 HydrophobicContact CZ2-CG 4.18Å; W342-E367 WeakPolarHBondContact CZ2-OE2 3.32Å; W342-E367 HydrophobicContact CZ3-CB 4.19Å; E367-C370 WeakPolarHBondContact OE1-CB 3.05Å |
| 368 | I | 91.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -18.4 | -174.6 | 58.2 | 162.9 | 0 | 0 | 0 | 113.3 | L330 L341 K343 Q366 F418 | L330-I368 HydrophobicContact CD1-CD1 4.26Å; L330-I368 HydrophobicContact CD2-CD1 3.9Å; L341-I368 HydrophobicContact CB-CG1 4.16Å; L341-I368 HydrophobicContact CD2-CD1 3.77Å; L341-I368 HydrophobicContact CD2-CG1 4.14Å; L341-I368 HydrophobicContact CG-CD1 3.89Å; L341-I368 HydrophobicContact CG-CG1 3.92Å; L341-I368 WeakPolarHBondContact O-CG1 3.34Å; L341-I368 PolarHBondContact O-N 2.86Å; K343-I368 HydrophobicContact CB-CG2 4.08Å; Q366-I368 PolarHBondContact O-N 3.18Å; I368-F418 HydrophobicContact CB-CD2 3.67Å; I368-F418 HydrophobicContact CB-CE2 3.87Å; I368-F418 HydrophobicContact CD1-CD2 3.82Å; I368-F418 HydrophobicContact CD1-CE2 3.57Å; I368-F418 HydrophobicContact CD1-CG 4.44Å; I368-F418 HydrophobicContact CD1-CZ 3.99Å; I368-F418 HydrophobicContact CG1-CD2 4.19Å; I368-F418 HydrophobicContact CG1-CE2 4.29Å; I368-F418 HydrophobicContact CG2-CD2 4.36Å; I368-F418 HydrophobicContact CG2-CE2 4.13Å; I368-F418 PolarHBondContact O-N 3.28Å |
| 369 | M | 93.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 139.6 | 176.2 | 171.4 | -92.5 | -76.8 | 0 | 0 | 111.4 | T340 L341 F371 F390 L403 F418 Y420 | T340-M369 CarbonylContact C-O 3.59Å; T340-M369 WeakPolarHBondContact CA-O 3.42Å; L341-M369 HydrophobicContact CB-CB 4.05Å; L341-M369 HydrophobicContact CB-CE 3.76Å; L341-M369 HydrophobicContact CB-SD 4.3Å; L341-M369 HydrophobicContact CD2-CE 3.88Å; L341-M369 HydrophobicContact CG-CE 4.43Å; L341-M369 PolarHBondContact N-O 2.83Å; L341-M369 PolarHBondContact O-N 3.42Å; M369-F371 HydrophobicContact SD-CB 3.75Å; M369-F390 HydrophobicContact CE-CD1 3.73Å; M369-F390 HydrophobicContact CE-CD2 4.34Å; M369-F390 HydrophobicContact CE-CE1 3.58Å; M369-F390 HydrophobicContact CE-CE2 4.22Å; M369-F390 HydrophobicContact CE-CG 4.1Å; M369-F390 HydrophobicContact CE-CZ 3.84Å; M369-F390 HydrophobicContact SD-CZ 4.32Å; M369-L403 HydrophobicContact CB-CD1 4.39Å; M369-L403 HydrophobicContact CE-CD1 3.92Å; M369-L403 HydrophobicContact CG-CD1 4.25Å; M369-F418 HydrophobicContact CB-CB 4.49Å; M369-Y420 HydrophobicContact CG-CD1 4Å; M369-Y420 HydrophobicContact CG-CE1 4.2Å |
| 370 | C | 93.1 | Very high | 91.1 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 106.1 | 170.8 | -171.3 | 0 | 0 | 0 | 0 | 109 | L339 E367 | L339-C370 WeakPolarHBondContact O-CA 3Å; E367-C370 WeakPolarHBondContact OE1-CB 3.05Å |
| 371 | F | 94.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.4 | 174.9 | 171.1 | -100.6 | 0 | 0 | 0 | 109.7 | S338 L339 M369 T373 F390 C392 F401 Y420 | S338-F371 CarbonylContact C-O 3.51Å; S338-F371 WeakPolarHBondContact CA-O 3.14Å; S338-F371 WeakPolarHBondContact CB-O 3.22Å; L339-F371 HydrophobicContact CB-CB 4.32Å; L339-F371 HydrophobicContact CB-CD1 4.42Å; L339-F371 HydrophobicContact CD1-CD1 4.2Å; L339-F371 HydrophobicContact CG-CD1 4.2Å; L339-F371 PolarHBondContact N-O 3.21Å; L339-F371 PolarHBondContact O-N 2.77Å; M369-F371 HydrophobicContact SD-CB 3.75Å; F371-T373 HydrophobicContact CD1-CG2 4.35Å; F371-T373 HydrophobicContact CE1-CG2 3.48Å; F371-T373 VanDerWaalsContact CE1-CG2 3.48Å; F371-T373 HydrophobicContact CZ-CG2 4.09Å; F371-F390 HydrophobicContact CB-CE2 4.12Å; F371-F390 HydrophobicContact CB-CZ 4.27Å; F371-F390 HydrophobicContact CD1-CE2 4.25Å; F371-F390 HydrophobicContact CD2-CE2 4.25Å; F371-F390 HydrophobicContact CD2-CZ 4.28Å; F371-F390 AromaticContact CG-CE2 3.94Å; F371-F390 HydrophobicContact CG-CE2 3.94Å; F371-F390 HydrophobicContact CG-CZ 4.28Å; F371-C392 HydrophobicContact CE1-CB 4.43Å; F371-C392 VanDerWaalsContact CE1-SG 3.52Å; F371-F401 HydrophobicContact CD2-CE2 4.42Å; F371-F401 HydrophobicContact CD2-CZ 4.35Å; F371-F401 HydrophobicContact CE1-CE2 4.17Å; F371-F401 HydrophobicContact CE1-CZ 4.5Å; F371-F401 HydrophobicContact CE2-CD2 4.38Å; F371-F401 AromaticContact CE2-CE1 3.83Å; F371-F401 HydrophobicContact CE2-CE1 3.83Å; F371-F401 AromaticContact CE2-CE2 3.65Å; F371-F401 HydrophobicContact CE2-CE2 3.65Å; F371-F401 AromaticContact CE2-CZ 3.33Å; F371-F401 HydrophobicContact CE2-CZ 3.33Å; F371-F401 HydrophobicContact CZ-CD2 4.48Å; F371-F401 HydrophobicContact CZ-CE1 4.37Å; F371-F401 AromaticContact CZ-CE2 3.49Å; F371-F401 HydrophobicContact CZ-CE2 3.49Å; F371-F401 VanDerWaalsContact CZ-CE2 3.49Å; F371-F401 AromaticContact CZ-CZ 3.43Å; F371-F401 HydrophobicContact CZ-CZ 3.43Å; F371-F401 VanDerWaalsContact CZ-CZ 3.43Å; F371-Y420 HydrophobicContact CD2-CD2 4.43Å; F371-Y420 HydrophobicContact CD2-CE1 4.46Å; F371-Y420 AromaticContact CD2-CE2 3.69Å; F371-Y420 HydrophobicContact CD2-CE2 3.69Å; F371-Y420 AromaticContact CD2-CZ 3.71Å; F371-Y420 HydrophobicContact CE2-CE2 4.15Å |
| 372 | K | 94.3 | Very high | 92.1 | Very high | 152 Ų | 152 | 48.5 Ų | 48.5 | 66% | 0.661 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.7 | -179.8 | -65.3 | -178.6 | 179.5 | 177.8 | 0 | 110.5 | Y337 | Y337-K372 WeakPolarHBondContact O-CA 3.26Å |
| 373 | T | 91.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | trans | -90.6 | -2.4 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | Y337 F371 D376 I378 T394 | Y337-T373 PolarHBondContact O-N 2.87Å; Y337-T373 PolarHBondContact O-OG1 2.96Å; Y337-T373 VanDerWaalsContact O-OG1 3.1Å; F371-T373 HydrophobicContact CD1-CG2 4.35Å; F371-T373 HydrophobicContact CE1-CG2 3.48Å; F371-T373 VanDerWaalsContact CE1-CG2 3.48Å; F371-T373 HydrophobicContact CZ-CG2 4.09Å; T373-D376 WeakPolarHBondContact CB-O 3.16Å; T373-D376 PolarHBondContact OG1-O 2.79Å; T373-I378 HydrophobicContact CG2-CD1 3.82Å; T373-I378 HydrophobicContact CG2-CG1 3.71Å; T373-T394 HydrophobicContact CG2-CG2 3.94Å | ||
| 374 | G | 88.9 | Confident | 92.9 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 81.2 | -117.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 375 | T | 88.4 | Confident | 93.1 | Very high | 97 Ų | 97 | 34.6 Ų | 34.6 | 60% | 0.595 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -104.6 | 16.2 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | P377 R396 | T375-P377 WeakPolarHBondContact O-CD 2.82Å; T375-R396 PolarHBondContact OG1-NH2 3.15Å |
| 376 | D | 90.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | trans | -98.9 | 110.2 | -178.1 | -94.3 | -50.7 | 0 | 0 | 0 | 111.5 | T373 I378 T394 R396 | T373-D376 WeakPolarHBondContact CB-O 3.16Å; T373-D376 PolarHBondContact OG1-O 2.79Å; D376-I378 PolarHBondContact O-N 2.86Å; D376-T394 HydrophobicContact CB-CG2 4.05Å; D376-R396 VanDerWaalsContact OD1-CG 3.32Å; D376-R396 WeakPolarHBondContact OD1-CG 3.48Å; D376-R396 IonicContact OD1-CZ 3.97Å; D376-R396 IonicContact OD1-NE 3.34Å; D376-R396 PolarHBondContact OD1-NE 2.9Å; D376-R396 IonicContact OD1-NH1 2.93Å; D376-R396 IonicContact OD1-NH2 3.15Å; D376-R396 PolarHBondContact OD1-NH2 3.06Å; D376-R396 IonicContact OD2-CZ 3.74Å; D376-R396 IonicContact OD2-NE 3.07Å; D376-R396 PolarHBondContact OD2-NE 2.87Å; D376-R396 IonicContact OD2-NH2 3.66Å; D376-R396 PolarHBondContact OD2-NH2 2.99Å | ||
| 377 | P | 92.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | trans | -60.7 | 135.7 | 176.7 | -22.3 | 32.6 | 0 | 0 | 0 | 112.1 | Y56 K336 Y337 T375 T394 | Y56-P377 HydrophobicContact CD1-CB 3.46Å; Y56-P377 VanDerWaalsContact CD1-CB 3.46Å; Y56-P377 HydrophobicContact CD1-CG 3.6Å; Y56-P377 HydrophobicContact CD2-CB 3.71Å; Y56-P377 HydrophobicContact CE1-CB 3.67Å; Y56-P377 HydrophobicContact CE1-CG 4.11Å; Y56-P377 HydrophobicContact CE2-CB 3.9Å; Y56-P377 HydrophobicContact CG-CB 3.47Å; Y56-P377 VanDerWaalsContact CG-CB 3.47Å; Y56-P377 HydrophobicContact CG-CG 3.85Å; K336-P377 HydrophobicContact CG-CB 4.43Å; K336-P377 CarbonylContact O-C 3.49Å; K336-P377 VanDerWaalsContact O-CA 3.28Å; K336-P377 WeakPolarHBondContact O-CA 3.27Å; Y337-P377 HydrophobicContact CE1-CB 4.42Å; Y337-P377 HydrophobicContact CE1-CG 3.81Å; T375-P377 WeakPolarHBondContact O-CD 2.82Å; P377-T394 VanDerWaalsContact O-CA 3.26Å; P377-T394 WeakPolarHBondContact O-CA 3.44Å; P377-T394 VanDerWaalsContact O-CB 3.31Å; P377-T394 WeakPolarHBondContact O-CB 3.18Å | ||
| 378 | I | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.8 | 174.8 | -54.4 | 176.1 | 0 | 0 | 0 | 108.6 | Q334 K336 L339 T373 D376 F380 C392 T394 | Q334-I378 HydrophobicContact CG-CB 4.21Å; Q334-I378 HydrophobicContact CG-CG2 3.92Å; Q334-I378 PolarHBondContact NE2-O 3.45Å; K336-I378 PolarHBondContact O-N 3.36Å; L339-I378 HydrophobicContact CD2-CD1 3.7Å; L339-I378 HydrophobicContact CD2-CG2 4.42Å; L339-I378 HydrophobicContact CG-CD1 3.75Å; T373-I378 HydrophobicContact CG2-CD1 3.82Å; T373-I378 HydrophobicContact CG2-CG1 3.71Å; D376-I378 PolarHBondContact O-N 2.86Å; I378-F380 WeakPolarHBondContact CG2-O 3.31Å; I378-C392 HydrophobicContact CG2-CB 4.12Å; I378-T394 HydrophobicContact CG1-CG2 4.43Å |
| 379 | L | 94 | Very high | 93.6 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.12 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -48.6 | 174.6 | -80.2 | 74.7 | 0 | 0 | 0 | 110.6 | Y56 Q334 S393 V395 C432 | Y56-L379 HydrophobicContact CD2-CD1 3.61Å; Y56-L379 HydrophobicContact CD2-CG 3.92Å; Y56-L379 HydrophobicContact CE2-CD1 4.35Å; Y56-L379 HydrophobicContact CE2-CG 4.44Å; Y56-L379 HydrophobicContact CG-CD1 4.43Å; Q334-L379 PolarHBondContact NE2-O 3.19Å; Q334-L379 VanDerWaalsContact NE2-O 3.11Å; L379-S393 PolarHBondContact N-O 2.91Å; L379-V395 HydrophobicContact CD1-CG2 3.65Å; L379-C432 HydrophobicContact CD2-CB 3.89Å |
| 380 | F | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.1 | -177 | -53.3 | -78.6 | 0 | 0 | 0 | 110.6 | H90 I378 C392 S393 C432 C433 P434 L435 | H90-F380 AromaticContact CE1-CZ 3.58Å; H90-F380 AromaticContact ND1-CZ 3.91Å; H90-F380 AromaticContact NE2-CZ 3.72Å; I378-F380 WeakPolarHBondContact CG2-O 3.31Å; F380-C392 CarbonylContact O-C 3.5Å; F380-C392 WeakPolarHBondContact O-CA 3.42Å; F380-S393 PolarHBondContact N-O 2.86Å; F380-S393 PolarHBondContact O-N 2.8Å; F380-C432 WeakPolarHBondContact CE2-O 3.23Å; F380-C433 WeakPolarHBondContact CD2-O 3.41Å; F380-P434 HydrophobicContact CD1-CB 4.14Å; F380-P434 HydrophobicContact CD1-CG 4.3Å; F380-P434 HydrophobicContact CD2-CG 4.43Å; F380-P434 HydrophobicContact CE1-CB 4.16Å; F380-P434 HydrophobicContact CE1-CG 3.88Å; F380-P434 HydrophobicContact CE2-CG 4.03Å; F380-P434 HydrophobicContact CG-CB 4.42Å; F380-P434 HydrophobicContact CZ-CB 4.46Å; F380-P434 HydrophobicContact CZ-CG 3.75Å; F380-L435 HydrophobicContact CB-CD2 3.73Å |
| 381 | S | 96.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.9 | 172.4 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | Q334 A391 | Q334-S381 PolarHBondContact OE1-OG 3.11Å; S381-A391 WeakPolarHBondContact CA-O 3.3Å; S381-A391 WeakPolarHBondContact CB-O 3.36Å |
| 382 | A | 97.4 | Very high | 94 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F390 A391 L435 F437 | A382-F390 CarbonylContact O-C 3.55Å; A382-F390 VanDerWaalsContact O-CA 3.28Å; A382-F390 WeakPolarHBondContact O-CA 3.36Å; A382-A391 PolarHBondContact N-O 2.76Å; A382-A391 PolarHBondContact O-N 2.79Å; A382-L435 HydrophobicContact CB-CD1 4.17Å; A382-L435 HydrophobicContact CB-CG 3.96Å; A382-F437 HydrophobicContact CB-CD2 3.61Å; A382-F437 HydrophobicContact CB-CE2 3.94Å |
| 383 | I | 96.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.2 | 173 | -169.5 | 167.5 | 0 | 0 | 0 | 108.5 | K323 A325 M332 L341 Y389 F390 | K323-I383 HydrophobicContact CB-CG2 3.86Å; A325-I383 HydrophobicContact CB-CD1 3.9Å; A325-I383 HydrophobicContact CB-CG1 4.14Å; A325-I383 HydrophobicContact CB-CG2 4.42Å; M332-I383 HydrophobicContact CB-CD1 4.36Å; M332-I383 HydrophobicContact CE-CB 4.08Å; M332-I383 HydrophobicContact SD-CB 4.25Å; L341-I383 HydrophobicContact CD1-CD1 3.41Å; L341-I383 VanDerWaalsContact CD1-CD1 3.41Å; L341-I383 HydrophobicContact CD2-CD1 4.33Å; I383-Y389 WeakPolarHBondContact CA-O 3.36Å; I383-Y389 WeakPolarHBondContact CG1-O 3.35Å; I383-F390 HydrophobicContact CG1-CB 4.33Å |
| 384 | S | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | trans | -70.6 | 149.5 | 177.3 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | A325 D386 G387 N388 Y389 | A325-S384 VanDerWaalsContact CB-O 3.3Å; A325-S384 WeakPolarHBondContact CB-O 3.46Å; S384-D386 VanDerWaalsContact CB-OD1 3.23Å; S384-D386 WeakPolarHBondContact CB-OD1 3.4Å; S384-D386 PolarHBondContact O-N 2.92Å; S384-D386 PolarHBondContact OG-OD1 2.83Å; S384-G387 PolarHBondContact O-N 3.47Å; S384-N388 PolarHBondContact OG-N 3.11Å; S384-Y389 PolarHBondContact N-O 2.58Å; S384-Y389 PolarHBondContact OG-N 2.63Å; S384-Y389 PolarHBondContact OG-O 3.28Å | ||
| 385 | P | 93.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -44.5 | 176.4 | -36.6 | 42 | 0 | 0 | 0 | 114.7 | A325 Y326 D327 G387 Q439 | A325-P385 CarbonylContact C-O 3.51Å; A325-P385 VanDerWaalsContact C-O 3.24Å; A325-P385 WeakPolarHBondContact CA-O 3.33Å; Y326-P385 HydrophobicContact CD2-CB 4.35Å; Y326-P385 HydrophobicContact CE1-CB 3.98Å; Y326-P385 HydrophobicContact CE1-CG 3.93Å; Y326-P385 HydrophobicContact CE2-CB 3.56Å; Y326-P385 HydrophobicContact CE2-CG 4.22Å; Y326-P385 VanDerWaalsContact CZ-CG 3.49Å; Y326-P385 PolarHBondContact N-O 3.11Å; Y326-P385 WeakPolarHBondContact OH-CB 3.35Å; Y326-P385 WeakPolarHBondContact OH-CG 3.5Å; D327-P385 WeakPolarHBondContact CB-O 3.35Å; D327-P385 PolarHBondContact N-O 3.47Å; D327-P385 VanDerWaalsContact OD2-CB 3.32Å; D327-P385 WeakPolarHBondContact OD2-CB 3.41Å; P385-G387 VanDerWaalsContact C-N 3.31Å; P385-G387 PolarHBondContact O-N 2.9Å; P385-Q439 HydrophobicContact CG-CG 4.4Å |
| 386 | D | 92 | Very high | 94.4 | Very high | 22 Ų | 22 | 16.3 Ų | 16.3 | 12% | 0.118 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.7 | -179.8 | 66.2 | -0.8 | 0 | 0 | 0 | 114.2 | R328 S384 N388 | R328-D386 WeakPolarHBondContact CD-O 3.39Å; R328-D386 WeakPolarHBondContact CG-O 3.48Å; R328-D386 PolarHBondContact NE-O 3.24Å; R328-D386 PolarHBondContact NH1-O 2.97Å; S384-D386 VanDerWaalsContact CB-OD1 3.23Å; S384-D386 WeakPolarHBondContact CB-OD1 3.4Å; S384-D386 PolarHBondContact O-N 2.92Å; S384-D386 PolarHBondContact OG-OD1 2.83Å; D386-N388 PolarHBondContact O-N 3.42Å; D386-N388 PolarHBondContact OD1-N 2.89Å; D386-N388 PolarHBondContact OD2-ND2 2.94Å |
| 387 | G | 92.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 67.4 | 15.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A325 S384 P385 L403 | A325-G387 VanDerWaalsContact CB-CA 3.49Å; S384-G387 PolarHBondContact O-N 3.47Å; P385-G387 VanDerWaalsContact C-N 3.31Å; P385-G387 PolarHBondContact O-N 2.9Å; G387-L403 WeakPolarHBondContact O-CD2 3.41Å |
| 388 | N | 93.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 20.3 Ų | 20.3 | 23% | 0.23 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -86.1 | -21 | 179.2 | -69.2 | -38.2 | 0 | 0 | 0 | 113.6 | R328 S384 D386 L403 | R328-N388 PolarHBondContact NH1-OD1 3.39Å; R328-N388 PolarHBondContact NH2-OD1 2.8Å; S384-N388 PolarHBondContact OG-N 3.11Å; D386-N388 PolarHBondContact O-N 3.42Å; D386-N388 PolarHBondContact OD1-N 2.89Å; D386-N388 PolarHBondContact OD2-ND2 2.94Å; N388-L403 PolarHBondContact O-N 2.82Å |
| 389 | Y | 95.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 20.5 Ų | 20.5 | 7% | 0.071 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.7 | -177.7 | -54.3 | -80.3 | 0 | 0 | 0 | 110.6 | I383 S384 F401 R402 L423 P444 I459 D463 | I383-Y389 WeakPolarHBondContact CA-O 3.36Å; I383-Y389 WeakPolarHBondContact CG1-O 3.35Å; S384-Y389 PolarHBondContact N-O 2.58Å; S384-Y389 PolarHBondContact OG-N 2.63Å; S384-Y389 PolarHBondContact OG-O 3.28Å; Y389-F401 VanDerWaalsContact CA-O 3.31Å; Y389-F401 WeakPolarHBondContact CA-O 3.35Å; Y389-R402 HydrophobicContact CD1-CB 4.03Å; Y389-R402 HydrophobicContact CD1-CG 4.3Å; Y389-R402 HydrophobicContact CE1-CB 3.98Å; Y389-R402 HydrophobicContact CE1-CG 3.95Å; Y389-L423 HydrophobicContact CD1-CD1 4.02Å; Y389-L423 HydrophobicContact CD1-CD2 4.38Å; Y389-L423 HydrophobicContact CE1-CD2 4.19Å; Y389-P444 HydrophobicContact CD2-CB 4.17Å; Y389-P444 HydrophobicContact CE2-CB 3.89Å; Y389-P444 HydrophobicContact CE2-CG 3.92Å; Y389-I459 HydrophobicContact CD1-CD1 4.21Å; Y389-I459 HydrophobicContact CD2-CD1 4.34Å; Y389-I459 HydrophobicContact CE1-CG2 3.93Å; Y389-I459 HydrophobicContact CE2-CG2 4.48Å; Y389-I459 HydrophobicContact CG-CD1 4.11Å; Y389-D463 PolarHBondContact OH-OD1 2.98Å |
| 390 | F | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.9 | 169.3 | 73 | -85.9 | 0 | 0 | 0 | 110.3 | M332 L339 M369 F371 A382 I383 F401 L403 Y420 | M332-F390 HydrophobicContact SD-CB 4.13Å; L339-F390 HydrophobicContact CD1-CD2 4.01Å; L339-F390 HydrophobicContact CD1-CE2 4.34Å; M369-F390 HydrophobicContact CE-CD1 3.73Å; M369-F390 HydrophobicContact CE-CD2 4.34Å; M369-F390 HydrophobicContact CE-CE1 3.58Å; M369-F390 HydrophobicContact CE-CE2 4.22Å; M369-F390 HydrophobicContact CE-CG 4.1Å; M369-F390 HydrophobicContact CE-CZ 3.84Å; M369-F390 HydrophobicContact SD-CZ 4.32Å; F371-F390 HydrophobicContact CB-CE2 4.12Å; F371-F390 HydrophobicContact CB-CZ 4.27Å; F371-F390 HydrophobicContact CD1-CE2 4.25Å; F371-F390 HydrophobicContact CD2-CE2 4.25Å; F371-F390 HydrophobicContact CD2-CZ 4.28Å; F371-F390 AromaticContact CG-CE2 3.94Å; F371-F390 HydrophobicContact CG-CE2 3.94Å; F371-F390 HydrophobicContact CG-CZ 4.28Å; A382-F390 CarbonylContact O-C 3.55Å; A382-F390 VanDerWaalsContact O-CA 3.28Å; A382-F390 WeakPolarHBondContact O-CA 3.36Å; I383-F390 HydrophobicContact CG1-CB 4.33Å; F390-F401 HydrophobicContact CD1-CB 3.89Å; F390-F401 HydrophobicContact CD2-CB 4.36Å; F390-F401 HydrophobicContact CD2-CD2 4.04Å; F390-F401 HydrophobicContact CE1-CB 3.36Å; F390-F401 HydrophobicContact CE1-CD2 4.48Å; F390-F401 HydrophobicContact CE1-CG 4.13Å; F390-F401 HydrophobicContact CE2-CB 3.88Å; F390-F401 AromaticContact CE2-CD2 3.41Å; F390-F401 HydrophobicContact CE2-CD2 3.41Å; F390-F401 VanDerWaalsContact CE2-CD2 3.41Å; F390-F401 HydrophobicContact CE2-CE2 4.2Å; F390-F401 AromaticContact CE2-CG 3.84Å; F390-F401 HydrophobicContact CE2-CG 3.84Å; F390-F401 HydrophobicContact CG-CB 4.36Å; F390-F401 HydrophobicContact CZ-CB 3.36Å; F390-F401 HydrophobicContact CZ-CD1 4.44Å; F390-F401 AromaticContact CZ-CD2 3.69Å; F390-F401 HydrophobicContact CZ-CD2 3.69Å; F390-F401 AromaticContact CZ-CG 3.58Å; F390-F401 HydrophobicContact CZ-CG 3.58Å; F390-F401 PolarHBondContact N-O 2.86Å; F390-F401 PolarHBondContact O-N 2.97Å; F390-L403 HydrophobicContact CD1-CD1 4.45Å; F390-L403 HydrophobicContact CE1-CD1 4.21Å; F390-Y420 HydrophobicContact CE1-CG 4.18Å; F390-Y420 HydrophobicContact CZ-CD1 4.39Å; F390-Y420 HydrophobicContact CZ-CD2 4.33Å; F390-Y420 HydrophobicContact CZ-CG 4.04Å |
| 391 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 150.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S381 A382 S399 L400 L435 F437 | S381-A391 WeakPolarHBondContact CA-O 3.3Å; S381-A391 WeakPolarHBondContact CB-O 3.36Å; A382-A391 PolarHBondContact N-O 2.76Å; A382-A391 PolarHBondContact O-N 2.79Å; A391-S399 WeakPolarHBondContact CA-O 3.36Å; A391-L400 HydrophobicContact CB-CB 4.45Å; A391-L400 HydrophobicContact CB-CD1 4.29Å; A391-L400 HydrophobicContact CB-CD2 4.42Å; A391-L400 HydrophobicContact CB-CG 3.7Å; A391-L435 HydrophobicContact CB-CD1 3.25Å; A391-F437 HydrophobicContact CB-CE2 3.59Å; A391-F437 HydrophobicContact CB-CZ 3.86Å |
| 392 | C | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 136.6 | 172.6 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | L339 F371 I378 F380 T398 S399 | L339-C392 HydrophobicContact CD1-CB 3.99Å; F371-C392 HydrophobicContact CE1-CB 4.43Å; F371-C392 VanDerWaalsContact CE1-SG 3.52Å; I378-C392 HydrophobicContact CG2-CB 4.12Å; F380-C392 CarbonylContact O-C 3.5Å; F380-C392 WeakPolarHBondContact O-CA 3.42Å; C392-T398 WeakPolarHBondContact O-CA 3.45Å; C392-S399 PolarHBondContact N-O 2.74Å; C392-S399 PolarHBondContact O-N 3.14Å |
| 393 | S | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.8 | 167.7 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | L379 F380 T398 C432 C433 | L379-S393 PolarHBondContact N-O 2.91Å; F380-S393 PolarHBondContact N-O 2.86Å; F380-S393 PolarHBondContact O-N 2.8Å; S393-T398 WeakPolarHBondContact CB-OG1 3.24Å; S393-T398 PolarHBondContact OG-OG1 2.84Å; S393-C432 VanDerWaalsContact OG-CA 3.27Å; S393-C432 WeakPolarHBondContact OG-CA 3.36Å; S393-C432 PolarHBondContact OG-N 2.81Å; S393-C433 WeakPolarHBondContact CB-O 3.4Å; S393-C433 PolarHBondContact OG-N 3.11Å |
| 394 | T | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -178.7 | 176.1 | 75 | 0 | 0 | 0 | 0 | 111.3 | T373 D376 P377 I378 R396 K397 S431 C432 | T373-T394 HydrophobicContact CG2-CG2 3.94Å; D376-T394 HydrophobicContact CB-CG2 4.05Å; P377-T394 VanDerWaalsContact O-CA 3.26Å; P377-T394 WeakPolarHBondContact O-CA 3.44Å; P377-T394 VanDerWaalsContact O-CB 3.31Å; P377-T394 WeakPolarHBondContact O-CB 3.18Å; I378-T394 HydrophobicContact CG1-CG2 4.43Å; T394-R396 PolarHBondContact O-N 2.83Å; T394-R396 PolarHBondContact OG1-N 3.28Å; T394-K397 PolarHBondContact N-O 2.67Å; T394-K397 PolarHBondContact OG1-N 3.02Å; T394-K397 VanDerWaalsContact OG1-N 3.11Å; T394-K397 PolarHBondContact OG1-O 2.66Å; T394-K397 VanDerWaalsContact OG1-O 3.11Å; T394-S431 WeakPolarHBondContact O-CB 3.26Å; T394-C432 PolarHBondContact O-N 2.86Å |
| 395 | V | 91 | Very high | 92.9 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -60.3 | -31.9 | 171.9 | -175 | 0 | 0 | 0 | 0 | 112 | Y56 R58 L379 S431 | Y56-V395 VanDerWaalsContact CB-CG2 3.49Å; Y56-V395 HydrophobicContact CG-CG2 4.48Å; R58-V395 HydrophobicContact CG-CG1 3.91Å; L379-V395 HydrophobicContact CD1-CG2 3.65Å; V395-S431 WeakPolarHBondContact O-CB 3.27Å; V395-S431 PolarHBondContact O-OG 2.66Å |
| 396 | R | 90.6 | Very high | 91.6 | Very high | 117 Ų | 117 | 33.3 Ų | 33.3 | 44% | 0.442 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -99.7 | -35.7 | -172.6 | -69.7 | -164.7 | -84.2 | -101.6 | -0 | 114.6 | R58 T375 D376 T394 S431 | R58-R396 PolarHBondContact O-NH1 2.71Å; T375-R396 PolarHBondContact OG1-NH2 3.15Å; D376-R396 VanDerWaalsContact OD1-CG 3.32Å; D376-R396 WeakPolarHBondContact OD1-CG 3.48Å; D376-R396 IonicContact OD1-CZ 3.97Å; D376-R396 IonicContact OD1-NE 3.34Å; D376-R396 PolarHBondContact OD1-NE 2.9Å; D376-R396 IonicContact OD1-NH1 2.93Å; D376-R396 IonicContact OD1-NH2 3.15Å; D376-R396 PolarHBondContact OD1-NH2 3.06Å; D376-R396 IonicContact OD2-CZ 3.74Å; D376-R396 IonicContact OD2-NE 3.07Å; D376-R396 PolarHBondContact OD2-NE 2.87Å; D376-R396 IonicContact OD2-NH2 3.66Å; D376-R396 PolarHBondContact OD2-NH2 2.99Å; T394-R396 PolarHBondContact O-N 2.83Å; T394-R396 PolarHBondContact OG1-N 3.28Å; R396-S431 VanDerWaalsContact C-CB 3.5Å |
| 397 | K | 92.9 | Very high | 89.6 | Confident | 102 Ų | 102 | 41 Ų | 41 | 44% | 0.443 | 19% | 0.193 | S | C | . | . | trans | -155.7 | 163.3 | -178.2 | 65.4 | 170.9 | -174.2 | 160.8 | 0 | 113.2 | T394 S399 E422 | T394-K397 PolarHBondContact N-O 2.67Å; T394-K397 PolarHBondContact OG1-N 3.02Å; T394-K397 VanDerWaalsContact OG1-N 3.11Å; T394-K397 PolarHBondContact OG1-O 2.66Å; T394-K397 VanDerWaalsContact OG1-O 3.11Å; K397-S399 VanDerWaalsContact CE-OG 3.22Å; K397-S399 WeakPolarHBondContact CE-OG 3.21Å; K397-S399 PolarHBondContact NZ-OG 2.85Å; K397-S399 VanDerWaalsContact NZ-OG 3.11Å; K397-E422 IonicContact NZ-OE1 2.73Å; K397-E422 PolarHBondContact NZ-OE1 2.84Å; K397-E422 IonicContact NZ-OE2 2.77Å | ||
| 398 | T | 95.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.8 | 163.4 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | C392 S393 L400 L429 P430 L448 | C392-T398 WeakPolarHBondContact O-CA 3.45Å; S393-T398 WeakPolarHBondContact CB-OG1 3.24Å; S393-T398 PolarHBondContact OG-OG1 2.84Å; T398-L400 HydrophobicContact CG2-CD1 4.15Å; T398-L429 HydrophobicContact CG2-CB 4.41Å; T398-L429 HydrophobicContact CG2-CD1 4.11Å; T398-P430 VanDerWaalsContact CB-O 3.28Å; T398-P430 WeakPolarHBondContact CB-O 3.3Å; T398-P430 PolarHBondContact OG1-O 3.03Å; T398-L448 HydrophobicContact CG2-CD1 3.92Å |
| 399 | S | 94.1 | Very high | 84.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.5 | 179.9 | -75 | 0 | 0 | 0 | 0 | 109.9 | A391 C392 K397 E422 | A391-S399 WeakPolarHBondContact CA-O 3.36Å; C392-S399 PolarHBondContact N-O 2.74Å; C392-S399 PolarHBondContact O-N 3.14Å; K397-S399 VanDerWaalsContact CE-OG 3.22Å; K397-S399 WeakPolarHBondContact CE-OG 3.21Å; K397-S399 PolarHBondContact NZ-OG 2.85Å; K397-S399 VanDerWaalsContact NZ-OG 3.11Å; S399-E422 WeakPolarHBondContact CB-OE1 3.17Å; S399-E422 PolarHBondContact OG-OE1 2.88Å |
| 400 | L | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.4 | 173.5 | -74.3 | 74.9 | 0 | 0 | 0 | 108.6 | A391 T398 E422 L423 F425 L429 F437 F446 | A391-L400 HydrophobicContact CB-CB 4.45Å; A391-L400 HydrophobicContact CB-CD1 4.29Å; A391-L400 HydrophobicContact CB-CD2 4.42Å; A391-L400 HydrophobicContact CB-CG 3.7Å; T398-L400 HydrophobicContact CG2-CD1 4.15Å; L400-E422 WeakPolarHBondContact O-CA 3.34Å; L400-L423 HydrophobicContact CB-CB 4.37Å; L400-L423 HydrophobicContact CB-CD1 3.63Å; L400-L423 PolarHBondContact O-N 2.88Å; L400-F425 HydrophobicContact CB-CE2 4.02Å; L400-F425 HydrophobicContact CB-CZ 3.87Å; L400-F425 HydrophobicContact CD1-CE2 4.02Å; L400-F425 HydrophobicContact CD1-CZ 3.63Å; L400-F425 HydrophobicContact CD2-CZ 3.89Å; L400-F425 HydrophobicContact CG-CE2 4.44Å; L400-F425 HydrophobicContact CG-CZ 3.95Å; L400-L429 HydrophobicContact CD1-CD1 3.45Å; L400-L429 VanDerWaalsContact CD1-CD1 3.45Å; L400-F437 HydrophobicContact CD2-CE1 4.11Å; L400-F437 HydrophobicContact CD2-CZ 3.8Å; L400-F437 HydrophobicContact CG-CZ 4.4Å; L400-F446 HydrophobicContact CD1-CZ 4.47Å; L400-F446 HydrophobicContact CD2-CD1 3.65Å; L400-F446 HydrophobicContact CD2-CD2 4.21Å; L400-F446 HydrophobicContact CD2-CE1 3.42Å; L400-F446 VanDerWaalsContact CD2-CE1 3.42Å; L400-F446 HydrophobicContact CD2-CE2 4.03Å; L400-F446 HydrophobicContact CD2-CG 4.03Å; L400-F446 HydrophobicContact CD2-CZ 3.63Å |
| 401 | F | 95.2 | Very high | 78.5 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.4 | -178.2 | -58 | -88.7 | 0 | 0 | 0 | 111.4 | F371 Y389 F390 Y420 S421 E422 L423 | F371-F401 HydrophobicContact CD2-CE2 4.42Å; F371-F401 HydrophobicContact CD2-CZ 4.35Å; F371-F401 HydrophobicContact CE1-CE2 4.17Å; F371-F401 HydrophobicContact CE1-CZ 4.5Å; F371-F401 HydrophobicContact CE2-CD2 4.38Å; F371-F401 AromaticContact CE2-CE1 3.83Å; F371-F401 HydrophobicContact CE2-CE1 3.83Å; F371-F401 AromaticContact CE2-CE2 3.65Å; F371-F401 HydrophobicContact CE2-CE2 3.65Å; F371-F401 AromaticContact CE2-CZ 3.33Å; F371-F401 HydrophobicContact CE2-CZ 3.33Å; F371-F401 HydrophobicContact CZ-CD2 4.48Å; F371-F401 HydrophobicContact CZ-CE1 4.37Å; F371-F401 AromaticContact CZ-CE2 3.49Å; F371-F401 HydrophobicContact CZ-CE2 3.49Å; F371-F401 VanDerWaalsContact CZ-CE2 3.49Å; F371-F401 AromaticContact CZ-CZ 3.43Å; F371-F401 HydrophobicContact CZ-CZ 3.43Å; F371-F401 VanDerWaalsContact CZ-CZ 3.43Å; Y389-F401 VanDerWaalsContact CA-O 3.31Å; Y389-F401 WeakPolarHBondContact CA-O 3.35Å; F390-F401 HydrophobicContact CD1-CB 3.89Å; F390-F401 HydrophobicContact CD2-CB 4.36Å; F390-F401 HydrophobicContact CD2-CD2 4.04Å; F390-F401 HydrophobicContact CE1-CB 3.36Å; F390-F401 HydrophobicContact CE1-CD2 4.48Å; F390-F401 HydrophobicContact CE1-CG 4.13Å; F390-F401 HydrophobicContact CE2-CB 3.88Å; F390-F401 AromaticContact CE2-CD2 3.41Å; F390-F401 HydrophobicContact CE2-CD2 3.41Å; F390-F401 VanDerWaalsContact CE2-CD2 3.41Å; F390-F401 HydrophobicContact CE2-CE2 4.2Å; F390-F401 AromaticContact CE2-CG 3.84Å; F390-F401 HydrophobicContact CE2-CG 3.84Å; F390-F401 HydrophobicContact CG-CB 4.36Å; F390-F401 HydrophobicContact CZ-CB 3.36Å; F390-F401 HydrophobicContact CZ-CD1 4.44Å; F390-F401 AromaticContact CZ-CD2 3.69Å; F390-F401 HydrophobicContact CZ-CD2 3.69Å; F390-F401 AromaticContact CZ-CG 3.58Å; F390-F401 HydrophobicContact CZ-CG 3.58Å; F390-F401 PolarHBondContact N-O 2.86Å; F390-F401 PolarHBondContact O-N 2.97Å; F401-Y420 AromaticContact CD1-CD2 3.84Å; F401-Y420 HydrophobicContact CD1-CD2 3.84Å; F401-Y420 HydrophobicContact CD1-CE2 4.43Å; F401-Y420 HydrophobicContact CE1-CD2 4.38Å; F401-Y420 HydrophobicContact CG-CD2 4.42Å; F401-S421 CarbonylContact C-O 3.57Å; F401-S421 WeakPolarHBondContact CA-O 3.49Å; F401-E422 HydrophobicContact CD1-CB 3.88Å; F401-E422 HydrophobicContact CD1-CG 4.27Å; F401-E422 HydrophobicContact CE1-CB 3.71Å; F401-E422 HydrophobicContact CE1-CG 3.86Å; F401-E422 HydrophobicContact CZ-CG 4.34Å; F401-L423 VanDerWaalsContact C-CD1 3.43Å |
| 402 | R | 94.7 | Very high | 75.5 | Confident | 85 Ų | 85 | 76.5 Ų | 76.5 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130 | 165.7 | 178.5 | 174.4 | -179.1 | 176.9 | 7.4 | 109.2 | Y389 Q404 Y420 S421 D463 | Y389-R402 HydrophobicContact CD1-CB 4.03Å; Y389-R402 HydrophobicContact CD1-CG 4.3Å; Y389-R402 HydrophobicContact CE1-CB 3.98Å; Y389-R402 HydrophobicContact CE1-CG 3.95Å; R402-Q404 HydrophobicContact CG-CG 4.44Å; R402-Y420 CarbonylContact O-C 3.59Å; R402-Y420 WeakPolarHBondContact O-CA 3.36Å; R402-Y420 WeakPolarHBondContact O-CB 3.38Å; R402-S421 PolarHBondContact N-O 3.33Å; R402-S421 PolarHBondContact O-N 3.16Å; R402-D463 WeakPolarHBondContact CD-OD1 3.35Å; R402-D463 WeakPolarHBondContact CD-OD2 3.23Å; R402-D463 IonicContact CZ-OD1 3.39Å; R402-D463 IonicContact CZ-OD2 2.79Å; R402-D463 IonicContact NE-OD1 3.98Å; R402-D463 IonicContact NE-OD2 3.42Å; R402-D463 VanDerWaalsContact NH1-CG 3.31Å; R402-D463 IonicContact NH1-OD1 2.58Å; R402-D463 PolarHBondContact NH1-OD1 2.8Å; R402-D463 IonicContact NH1-OD2 3.28Å; R402-D463 PolarHBondContact NH1-OD2 3.2Å |
| 403 | L | 92.6 | Very high | 72.7 | Confident | 10 Ų | 10 | 86.3 Ų | 86.3 | 5% | 0.052 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.1 | 174.1 | -163.1 | 75.5 | 0 | 0 | 0 | 109.7 | L341 M369 G387 N388 F390 F418 | L341-L403 HydrophobicContact CD2-CD1 4.38Å; L341-L403 HydrophobicContact CD2-CD2 3.58Å; M369-L403 HydrophobicContact CB-CD1 4.39Å; M369-L403 HydrophobicContact CE-CD1 3.92Å; M369-L403 HydrophobicContact CG-CD1 4.25Å; G387-L403 WeakPolarHBondContact O-CD2 3.41Å; N388-L403 PolarHBondContact O-N 2.82Å; F390-L403 HydrophobicContact CD1-CD1 4.45Å; F390-L403 HydrophobicContact CE1-CD1 4.21Å; L403-F418 HydrophobicContact CD1-CB 3.75Å; L403-F418 HydrophobicContact CD1-CD1 4.31Å; L403-F418 HydrophobicContact CD1-CG 4.38Å; L403-F418 HydrophobicContact CD2-CB 4.4Å; L403-F418 HydrophobicContact CD2-CD1 3.51Å; L403-F418 HydrophobicContact CD2-CE1 3.92Å; L403-F418 HydrophobicContact CD2-CG 4.14Å; L403-F418 HydrophobicContact CG-CB 4.01Å; L403-F418 HydrophobicContact CG-CD1 3.62Å; L403-F418 HydrophobicContact CG-CE1 4.44Å; L403-F418 HydrophobicContact CG-CG 4.18Å |
| 404 | Q | 85.8 | Confident | 69.9 | Low | 83 Ų | 83 | 90 Ų | 90 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134 | -179.8 | -68.2 | 177.7 | -5.2 | 0 | 0 | 109.7 | R402 L406 F418 S419 | R402-Q404 HydrophobicContact CG-CG 4.44Å; Q404-L406 PolarHBondContact O-N 2.97Å; Q404-F418 WeakPolarHBondContact O-CA 3.41Å; Q404-S419 WeakPolarHBondContact CB-OG 3.3Å; Q404-S419 PolarHBondContact N-O 2.93Å; Q404-S419 PolarHBondContact O-N 3.36Å |
| 405 | V | 76 | Confident | 67.5 | Low | 93 Ų | 93 | 91.4 Ų | 91.4 | 56% | 0.564 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.6 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | Q407 F418 | V405-Q407 PolarHBondContact O-N 3.15Å; V405-F418 HydrophobicContact CB-CD1 4.49Å; V405-F418 HydrophobicContact CB-CE1 4.25Å; V405-F418 HydrophobicContact CG2-CD1 4.02Å; V405-F418 HydrophobicContact CG2-CE1 3.42Å; V405-F418 VanDerWaalsContact CG2-CE1 3.42Å; V405-F418 HydrophobicContact CG2-CZ 4.01Å |
| 406 | L | 65.8 | Low | 65.7 | Low | 76 Ų | 76 | 92.3 Ų | 92.3 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | trans | -76.3 | 109 | 164.8 | -65.5 | 170.8 | 0 | 0 | 0 | 107.5 | Q404 L408 M417 | Q404-L406 PolarHBondContact O-N 2.97Å; L406-L408 PolarHBondContact O-N 3.39Å; L406-L408 VanDerWaalsContact O-N 3.12Å; L406-M417 WeakPolarHBondContact CB-O 3.4Å; L406-M417 WeakPolarHBondContact CD1-O 3.42Å | ||
| 407 | Q | 50 | Low | 64.5 | Low | 183 Ų | 183 | 92.9 Ų | 92.9 | 86% | 0.855 | 47% | 0.47 | S | S | * | . | trans | -74 | 96.4 | 161.2 | -73.6 | -173.8 | -11.2 | 0 | 0 | 106.9 | V405 E409 | V405-Q407 PolarHBondContact O-N 3.15Å; Q407-E409 PolarHBondContact O-N 3.25Å | ||
| 408 | L | 42.7 | Very low | 63.8 | Low | 115 Ų | 115 | 89.9 Ų | 89.9 | 60% | 0.602 | 46% | 0.457 | S | S | * | . | trans | -67 | 117.6 | 165.3 | -83 | 153.7 | 0 | 0 | 0 | 107.3 | L406 K410 | L406-L408 PolarHBondContact O-N 3.39Å; L406-L408 VanDerWaalsContact O-N 3.12Å; L408-K410 PolarHBondContact O-N 2.82Å | ||
| 409 | E | 34.8 | Very low | 63.4 | Low | 186 Ų | 186 | 91 Ų | 91 | 87% | 0.869 | 47% | 0.465 | S | S | * | . | trans | -55.8 | 129.8 | 168.3 | -70.5 | -174.6 | 154.2 | 0 | 0 | 108.6 | Q407 D411 | Q407-E409 PolarHBondContact O-N 3.25Å; E409-D411 PolarHBondContact O-N 2.79Å | ||
| 410 | K | 36.2 | Very low | 63.2 | Low | 197 Ų | 197 | 95.2 Ų | 95.2 | 86% | 0.857 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -11.6 | 93.7 | 169.8 | -64.8 | 173.2 | 178.4 | 176.4 | 0 | 113.8 | L408 | L408-K410 PolarHBondContact O-N 2.82Š|
| 411 | D | 30.8 | Very low | 63.1 | Low | 139 Ų | 139 | 97.3 Ų | 97.3 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | trans | 168.9 | 127.9 | 140.4 | -81.6 | -23.8 | 0 | 0 | 0 | 108.6 | E409 | E409-D411 PolarHBondContact O-N 2.79Š| ||
| 412 | H | 34.4 | Very low | 62.9 | Low | 173 Ų | 173 | 101.4 Ų | 101.4 | 80% | 0.801 | 52% | 0.515 | S | S | * | . | trans | 94.7 | 117.6 | -176.8 | -55.2 | -63.2 | 0 | 0 | 0 | 117.4 | S414 | H412-S414 PolarHBondContact O-N 3.04Š| ||
| 413 | E | 37.1 | Very low | 62.8 | Low | 210 Ų | 210 | 97.8 Ų | 97.8 | 98% | 0.981 | 50% | 0.502 | S | S | * | . | trans | -62 | 21.1 | 177.6 | -62.2 | 178.6 | 137.3 | 0 | 0 | 115.3 | G415 | E413-G415 PolarHBondContact O-N 2.72Š| ||
| 414 | S | 36.9 | Very low | 62.3 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | trans | -83.7 | 99.9 | 171.4 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | H412 G416 | H412-S414 PolarHBondContact O-N 3.04Å; S414-G416 PolarHBondContact O-N 3.44Å | ||
| 415 | G | 45.2 | Very low | 62.2 | Low | 33 Ų | 33 | 102.3 Ų | 102.3 | 34% | 0.34 | 53% | 0.527 | S | S | . | . | trans | -46.7 | 129.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q366 E413 M417 | Q366-G415 PolarHBondContact NE2-O 3.37Å; E413-G415 PolarHBondContact O-N 2.72Å; G415-M417 PolarHBondContact O-N 3.32Å; G415-M417 VanDerWaalsContact O-N 3.16Å | ||
| 416 | G | 52.4 | Low | 62 | Low | 32 Ų | 32 | 103.4 Ų | 103.4 | 33% | 0.33 | 54% | 0.536 | S | S | . | . | trans | -49.9 | 115.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S414 F418 | S414-G416 PolarHBondContact O-N 3.44Å; G416-F418 WeakPolarHBondContact O-CD2 3.35Å | ||
| 417 | M | 66.8 | Low | 62.8 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 136.7 | 170.1 | -168.5 | 170.9 | 69.8 | 0 | 0 | 108.9 | L406 G415 | L406-M417 WeakPolarHBondContact CB-O 3.4Å; L406-M417 WeakPolarHBondContact CD1-O 3.42Å; G415-M417 PolarHBondContact O-N 3.32Å; G415-M417 VanDerWaalsContact O-N 3.16Å |
| 418 | F | 77.4 | Confident | 64.6 | Low | 38 Ų | 38 | 104.3 Ų | 104.3 | 17% | 0.167 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 139.7 | 178.3 | -74.9 | -115.7 | 0 | 0 | 0 | 109.9 | I368 M369 L403 Q404 V405 G416 | I368-F418 HydrophobicContact CB-CD2 3.67Å; I368-F418 HydrophobicContact CB-CE2 3.87Å; I368-F418 HydrophobicContact CD1-CD2 3.82Å; I368-F418 HydrophobicContact CD1-CE2 3.57Å; I368-F418 HydrophobicContact CD1-CG 4.44Å; I368-F418 HydrophobicContact CD1-CZ 3.99Å; I368-F418 HydrophobicContact CG1-CD2 4.19Å; I368-F418 HydrophobicContact CG1-CE2 4.29Å; I368-F418 HydrophobicContact CG2-CD2 4.36Å; I368-F418 HydrophobicContact CG2-CE2 4.13Å; I368-F418 PolarHBondContact O-N 3.28Å; M369-F418 HydrophobicContact CB-CB 4.49Å; L403-F418 HydrophobicContact CD1-CB 3.75Å; L403-F418 HydrophobicContact CD1-CD1 4.31Å; L403-F418 HydrophobicContact CD1-CG 4.38Å; L403-F418 HydrophobicContact CD2-CB 4.4Å; L403-F418 HydrophobicContact CD2-CD1 3.51Å; L403-F418 HydrophobicContact CD2-CE1 3.92Å; L403-F418 HydrophobicContact CD2-CG 4.14Å; L403-F418 HydrophobicContact CG-CB 4.01Å; L403-F418 HydrophobicContact CG-CD1 3.62Å; L403-F418 HydrophobicContact CG-CE1 4.44Å; L403-F418 HydrophobicContact CG-CG 4.18Å; Q404-F418 WeakPolarHBondContact O-CA 3.41Å; V405-F418 HydrophobicContact CB-CD1 4.49Å; V405-F418 HydrophobicContact CB-CE1 4.25Å; V405-F418 HydrophobicContact CG2-CD1 4.02Å; V405-F418 HydrophobicContact CG2-CE1 3.42Å; V405-F418 VanDerWaalsContact CG2-CE1 3.42Å; V405-F418 HydrophobicContact CG2-CZ 4.01Å; G416-F418 WeakPolarHBondContact O-CD2 3.35Å |
| 419 | S | 86.7 | Confident | 66.9 | Low | 33 Ų | 33 | 99.5 Ų | 99.5 | 23% | 0.231 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 164.3 | 166.5 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | Q404 | Q404-S419 WeakPolarHBondContact CB-OG 3.3Å; Q404-S419 PolarHBondContact N-O 2.93Å; Q404-S419 PolarHBondContact O-N 3.36Å |
| 420 | Y | 90.9 | Very high | 69.7 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 154.2 | 174.6 | 54.6 | -95.6 | 0 | 0 | 0 | 111.4 | M369 F371 F390 F401 R402 | M369-Y420 HydrophobicContact CG-CD1 4Å; M369-Y420 HydrophobicContact CG-CE1 4.2Å; F371-Y420 HydrophobicContact CD2-CD2 4.43Å; F371-Y420 HydrophobicContact CD2-CE1 4.46Å; F371-Y420 AromaticContact CD2-CE2 3.69Å; F371-Y420 HydrophobicContact CD2-CE2 3.69Å; F371-Y420 AromaticContact CD2-CZ 3.71Å; F371-Y420 HydrophobicContact CE2-CE2 4.15Å; F390-Y420 HydrophobicContact CE1-CG 4.18Å; F390-Y420 HydrophobicContact CZ-CD1 4.39Å; F390-Y420 HydrophobicContact CZ-CD2 4.33Å; F390-Y420 HydrophobicContact CZ-CG 4.04Å; F401-Y420 AromaticContact CD1-CD2 3.84Å; F401-Y420 HydrophobicContact CD1-CD2 3.84Å; F401-Y420 HydrophobicContact CD1-CE2 4.43Å; F401-Y420 HydrophobicContact CE1-CD2 4.38Å; F401-Y420 HydrophobicContact CG-CD2 4.42Å; R402-Y420 CarbonylContact O-C 3.59Å; R402-Y420 WeakPolarHBondContact O-CA 3.36Å; R402-Y420 WeakPolarHBondContact O-CB 3.38Å |
| 421 | S | 92 | Very high | 72.4 | Confident | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137.8 | 177 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | F401 R402 | F401-S421 CarbonylContact C-O 3.57Å; F401-S421 WeakPolarHBondContact CA-O 3.49Å; R402-S421 PolarHBondContact N-O 3.33Å; R402-S421 PolarHBondContact O-N 3.16Å |
| 422 | E | 92.2 | Very high | 75.3 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.3 | 178.2 | -166.9 | 166 | -165.1 | 0 | 0 | 109.6 | K397 S399 L400 F401 | K397-E422 IonicContact NZ-OE1 2.73Å; K397-E422 PolarHBondContact NZ-OE1 2.84Å; K397-E422 IonicContact NZ-OE2 2.77Å; S399-E422 WeakPolarHBondContact CB-OE1 3.17Å; S399-E422 PolarHBondContact OG-OE1 2.88Å; L400-E422 WeakPolarHBondContact O-CA 3.34Å; F401-E422 HydrophobicContact CD1-CB 3.88Å; F401-E422 HydrophobicContact CD1-CG 4.27Å; F401-E422 HydrophobicContact CE1-CB 3.71Å; F401-E422 HydrophobicContact CE1-CG 3.86Å; F401-E422 HydrophobicContact CZ-CG 4.34Å |
| 423 | L | 91.6 | Very high | 78.1 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 143.6 | 176 | -72.7 | 120.2 | 0 | 0 | 0 | 110.5 | Y389 L400 F401 F425 I459 D463 | Y389-L423 HydrophobicContact CD1-CD1 4.02Å; Y389-L423 HydrophobicContact CD1-CD2 4.38Å; Y389-L423 HydrophobicContact CE1-CD2 4.19Å; L400-L423 HydrophobicContact CB-CB 4.37Å; L400-L423 HydrophobicContact CB-CD1 3.63Å; L400-L423 PolarHBondContact O-N 2.88Å; F401-L423 VanDerWaalsContact C-CD1 3.43Å; L423-F425 HydrophobicContact CB-CE2 4.01Å; L423-F425 HydrophobicContact CB-CZ 4.32Å; L423-F425 WeakPolarHBondContact O-CD2 3.32Å; L423-F425 WeakPolarHBondContact O-CE2 3.45Å; L423-I459 HydrophobicContact CD2-CG2 4Å; L423-D463 HydrophobicContact CD2-CB 3.79Å; L423-D463 WeakPolarHBondContact CD2-O 3.49Å |
| 424 | N | 82.6 | Confident | 80.9 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 74% | 0.738 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 134.7 | 177.4 | -70.2 | -49.8 | 0 | 0 | 0 | 111.1 | ||
| 425 | F | 83.5 | Confident | 83.7 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | trans | -117.4 | 144.7 | 175.2 | -66.9 | -88.5 | 0 | 0 | 0 | 110.6 | L400 L423 S427 L429 F446 C465 | L400-F425 HydrophobicContact CB-CE2 4.02Å; L400-F425 HydrophobicContact CB-CZ 3.87Å; L400-F425 HydrophobicContact CD1-CE2 4.02Å; L400-F425 HydrophobicContact CD1-CZ 3.63Å; L400-F425 HydrophobicContact CD2-CZ 3.89Å; L400-F425 HydrophobicContact CG-CE2 4.44Å; L400-F425 HydrophobicContact CG-CZ 3.95Å; L423-F425 HydrophobicContact CB-CE2 4.01Å; L423-F425 HydrophobicContact CB-CZ 4.32Å; L423-F425 WeakPolarHBondContact O-CD2 3.32Å; L423-F425 WeakPolarHBondContact O-CE2 3.45Å; F425-S427 VanDerWaalsContact CB-O 3.28Å; F425-S427 WeakPolarHBondContact CB-O 3.24Å; F425-S427 PolarHBondContact O-N 3.48Å; F425-L429 HydrophobicContact CD1-CD1 4.03Å; F425-L429 HydrophobicContact CD1-CD2 4.18Å; F425-L429 HydrophobicContact CD1-CG 4.11Å; F425-L429 HydrophobicContact CD2-CD1 4.22Å; F425-L429 HydrophobicContact CE1-CD1 3.8Å; F425-L429 HydrophobicContact CE1-CD2 4.47Å; F425-L429 HydrophobicContact CE1-CG 4.37Å; F425-L429 HydrophobicContact CE2-CD1 4.01Å; F425-L429 HydrophobicContact CG-CD1 4.25Å; F425-L429 HydrophobicContact CG-CG 4.21Å; F425-L429 HydrophobicContact CZ-CD1 3.81Å; F425-F446 HydrophobicContact CE1-CE1 4.19Å; F425-F446 AromaticContact CE1-CZ 3.77Å; F425-F446 HydrophobicContact CE1-CZ 3.77Å; F425-F446 HydrophobicContact CZ-CZ 4.24Å; F425-C465 HydrophobicContact CD1-CB 3.59Å; F425-C465 HydrophobicContact CE1-CB 3.23Å; F425-C465 WeakPolarHBondContact CE1-SG 3.22Å; F425-C465 HydrophobicContact CZ-CB 3.98Å; F425-C465 WeakPolarHBondContact CZ-SG 3.47Å | ||
| 426 | P | 72.3 | Confident | 86.2 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -63.8 | -27.5 | 174.8 | 25.2 | -33 | 0 | 0 | 0 | 112.4 | ||
| 427 | S | 82.4 | Confident | 88.3 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 51% | 0.51 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -137.8 | 150.8 | 177.1 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | F425 L429 | F425-S427 VanDerWaalsContact CB-O 3.28Å; F425-S427 WeakPolarHBondContact CB-O 3.24Å; F425-S427 PolarHBondContact O-N 3.48Å; S427-L429 PolarHBondContact O-N 3.18Å |
| 428 | K | 87.6 | Confident | 89.6 | Confident | 205 Ų | 205 | 48.8 Ų | 48.8 | 89% | 0.891 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -59 | 129.5 | 174.1 | -69 | -175.2 | -179.8 | 179.4 | 0 | 110.1 | ||
| 429 | L | 92.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 145.2 | 173 | -66.5 | 176.5 | 0 | 0 | 0 | 110.3 | T398 L400 F425 S427 L448 Y457 | T398-L429 HydrophobicContact CG2-CB 4.41Å; T398-L429 HydrophobicContact CG2-CD1 4.11Å; L400-L429 HydrophobicContact CD1-CD1 3.45Å; L400-L429 VanDerWaalsContact CD1-CD1 3.45Å; F425-L429 HydrophobicContact CD1-CD1 4.03Å; F425-L429 HydrophobicContact CD1-CD2 4.18Å; F425-L429 HydrophobicContact CD1-CG 4.11Å; F425-L429 HydrophobicContact CD2-CD1 4.22Å; F425-L429 HydrophobicContact CE1-CD1 3.8Å; F425-L429 HydrophobicContact CE1-CD2 4.47Å; F425-L429 HydrophobicContact CE1-CG 4.37Å; F425-L429 HydrophobicContact CE2-CD1 4.01Å; F425-L429 HydrophobicContact CG-CD1 4.25Å; F425-L429 HydrophobicContact CG-CG 4.21Å; F425-L429 HydrophobicContact CZ-CD1 3.81Å; S427-L429 PolarHBondContact O-N 3.18Å; L429-L448 HydrophobicContact CD1-CD1 4.38Å; L429-Y457 HydrophobicContact CD2-CE1 4.48Å; L429-Y457 HydrophobicContact CD2-CE2 4.37Å |
| 430 | P | 92.7 | Very high | 90.4 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.6 | 176.4 | 24.7 | -31.1 | 0 | 0 | 0 | 111.4 | T398 C433 L448 D450 | T398-P430 VanDerWaalsContact CB-O 3.28Å; T398-P430 WeakPolarHBondContact CB-O 3.3Å; T398-P430 PolarHBondContact OG1-O 3.03Å; P430-C433 VanDerWaalsContact CG-SG 3.57Å; P430-C433 PolarHBondContact O-SG 2.86Å; P430-L448 HydrophobicContact CG-CD2 3.72Å; P430-D450 HydrophobicContact CB-CB 4.37Å; P430-D450 HydrophobicContact CG-CB 4Å |
| 431 | S | 92.2 | Very high | 90.1 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -88.9 | 169.1 | 178.2 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | R91 T394 V395 R396 C433 | R91-S431 PolarHBondContact NE-O 2.8Å; R91-S431 PolarHBondContact NH2-O 2.85Å; T394-S431 WeakPolarHBondContact O-CB 3.26Å; V395-S431 WeakPolarHBondContact O-CB 3.27Å; V395-S431 PolarHBondContact O-OG 2.66Å; R396-S431 VanDerWaalsContact C-CB 3.5Å; S431-C433 VanDerWaalsContact C-N 3.29Å; S431-C433 PolarHBondContact O-N 2.79Å; S431-C433 PolarHBondContact O-SG 3.41Å |
| 432 | C | 91.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 52.9 | 37.1 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 115.4 | H90 R91 L379 F380 S393 T394 | H90-C432 HydrophobicContact CB-CB 3.66Å; H90-C432 PolarHBondContact CD2-O 2.83Å; R91-C432 HydrophobicContact CG-CB 3.99Å; L379-C432 HydrophobicContact CD2-CB 3.89Å; F380-C432 WeakPolarHBondContact CE2-O 3.23Å; S393-C432 VanDerWaalsContact OG-CA 3.27Å; S393-C432 WeakPolarHBondContact OG-CA 3.36Å; S393-C432 PolarHBondContact OG-N 2.81Å; T394-C432 PolarHBondContact O-N 2.86Å |
| 433 | C | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -104 | 123.8 | -174.4 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | F380 S393 P430 S431 L435 L448 A449 | F380-C433 WeakPolarHBondContact CD2-O 3.41Å; S393-C433 WeakPolarHBondContact CB-O 3.4Å; S393-C433 PolarHBondContact OG-N 3.11Å; P430-C433 VanDerWaalsContact CG-SG 3.57Å; P430-C433 PolarHBondContact O-SG 2.86Å; S431-C433 VanDerWaalsContact C-N 3.29Å; S431-C433 PolarHBondContact O-N 2.79Å; S431-C433 PolarHBondContact O-SG 3.41Å; C433-L435 WeakPolarHBondContact O-CD2 3.46Å; C433-L448 HydrophobicContact CB-CD1 4.05Å; C433-L448 HydrophobicContact CB-CD2 3.91Å; C433-L448 HydrophobicContact CB-CG 3.8Å; C433-A449 VanDerWaalsContact CA-O 3.32Å; C433-A449 WeakPolarHBondContact CA-O 3.28Å; C433-A449 WeakPolarHBondContact CB-O 3.4Å; C433-A449 PolarHBondContact SG-O 3.44Å; C433-A449 VanDerWaalsContact SG-O 3.37Å | ||
| 434 | P | 95.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -58.6 | 142.9 | 163.4 | -16.5 | 25.7 | 0 | 0 | 0 | 110.5 | F380 A449 I480 | F380-P434 HydrophobicContact CD1-CB 4.14Å; F380-P434 HydrophobicContact CD1-CG 4.3Å; F380-P434 HydrophobicContact CD2-CG 4.43Å; F380-P434 HydrophobicContact CE1-CB 4.16Å; F380-P434 HydrophobicContact CE1-CG 3.88Å; F380-P434 HydrophobicContact CE2-CG 4.03Å; F380-P434 HydrophobicContact CG-CB 4.42Å; F380-P434 HydrophobicContact CZ-CB 4.46Å; F380-P434 HydrophobicContact CZ-CG 3.75Å; P434-A449 HydrophobicContact CB-CB 4.2Å; P434-A449 WeakPolarHBondContact CD-O 3.41Å; P434-A449 HydrophobicContact CG-CB 4.21Å; P434-A449 PolarHBondContact O-N 2.83Å; P434-I480 HydrophobicContact CG-CG2 4.46Å; P434-I480 VanDerWaalsContact CG-O 3.27Å; P434-I480 WeakPolarHBondContact CG-O 3.45Å | ||
| 435 | L | 96.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.4 | -179.6 | 64.4 | 159.5 | 0 | 0 | 0 | 111.3 | F380 A382 A391 C433 A447 | F380-L435 HydrophobicContact CB-CD2 3.73Å; A382-L435 HydrophobicContact CB-CD1 4.17Å; A382-L435 HydrophobicContact CB-CG 3.96Å; A391-L435 HydrophobicContact CB-CD1 3.25Å; C433-L435 WeakPolarHBondContact O-CD2 3.46Å; L435-A447 WeakPolarHBondContact CA-O 3.38Å; L435-A447 WeakPolarHBondContact CB-O 3.42Å |
| 436 | C | 96.7 | Very high | 91 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.6 | 169.7 | 73.9 | 0 | 0 | 0 | 0 | 110.6 | F446 A447 L483 | C436-F446 VanDerWaalsContact O-CA 3.26Å; C436-F446 WeakPolarHBondContact O-CA 3.41Å; C436-F446 WeakPolarHBondContact O-CB 3.15Å; C436-A447 PolarHBondContact N-O 2.91Å; C436-A447 VanDerWaalsContact N-O 3.14Å; C436-A447 PolarHBondContact O-N 2.63Å; C436-L483 HydrophobicContact CB-CD2 4.36Å; C436-L483 HydrophobicContact CB-CG 4.33Å |
| 437 | F | 96.7 | Very high | 92.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 152.2 | 169.2 | -73.7 | -85.1 | 0 | 0 | 0 | 110.7 | A382 A391 L400 T445 F446 I459 | A382-F437 HydrophobicContact CB-CD2 3.61Å; A382-F437 HydrophobicContact CB-CE2 3.94Å; A391-F437 HydrophobicContact CB-CE2 3.59Å; A391-F437 HydrophobicContact CB-CZ 3.86Å; L400-F437 HydrophobicContact CD2-CE1 4.11Å; L400-F437 HydrophobicContact CD2-CZ 3.8Å; L400-F437 HydrophobicContact CG-CZ 4.4Å; F437-T445 WeakPolarHBondContact CA-O 3.42Å; F437-F446 HydrophobicContact CD1-CB 3.62Å; F437-F446 HydrophobicContact CE1-CB 3.82Å; F437-F446 HydrophobicContact CE1-CD1 4.24Å; F437-F446 HydrophobicContact CE1-CG 4.29Å; F437-F446 HydrophobicContact CG-CB 4.18Å; F437-I459 HydrophobicContact CE1-CD1 3.85Å |
| 438 | F | 94.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 176.3 | 174 | 58.4 | -77 | 0 | 0 | 0 | 109.4 | M440 T445 A447 L456 A485 L492 I506 | F438-M440 HydrophobicContact CD2-CG 3.78Å; F438-M440 HydrophobicContact CE2-CG 3.33Å; F438-M440 HydrophobicContact CE2-SD 3.75Å; F438-M440 HydrophobicContact CZ-CG 4.37Å; F438-M440 HydrophobicContact CZ-SD 4.34Å; F438-T445 HydrophobicContact CD2-CG2 4.48Å; F438-T445 HydrophobicContact CE1-CG2 3.94Å; F438-T445 HydrophobicContact CE2-CG2 3.76Å; F438-T445 HydrophobicContact CZ-CG2 3.43Å; F438-T445 VanDerWaalsContact CZ-CG2 3.43Å; F438-T445 PolarHBondContact N-O 2.81Å; F438-T445 PolarHBondContact O-N 3.22Å; F438-A447 HydrophobicContact CE1-CB 3.9Å; F438-L456 HydrophobicContact CZ-CD2 4.28Å; F438-A485 HydrophobicContact CB-CB 3.54Å; F438-A485 HydrophobicContact CD1-CB 4.09Å; F438-A485 HydrophobicContact CG-CB 3.87Å; F438-L492 HydrophobicContact CD1-CD2 4.17Å; F438-L492 HydrophobicContact CE1-CD2 3.95Å; F438-L492 HydrophobicContact CZ-CD2 4.26Å; F438-I506 HydrophobicContact CE2-CD1 3.54Å; F438-I506 HydrophobicContact CZ-CD1 3.79Å |
| 439 | Q | 91.6 | Very high | 93.2 | Very high | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.8 | 176.4 | -73.7 | 170.3 | -29.3 | 0 | 0 | 109.3 | P385 I443 | P385-Q439 HydrophobicContact CG-CG 4.4Å; Q439-I443 WeakPolarHBondContact CA-O 2.99Å |
| 440 | M | 87.8 | Confident | 93.2 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.8 | 171 | -72.9 | -169.2 | 68.8 | 0 | 0 | 108.9 | F438 E442 I443 T445 I468 I506 | F438-M440 HydrophobicContact CD2-CG 3.78Å; F438-M440 HydrophobicContact CE2-CG 3.33Å; F438-M440 HydrophobicContact CE2-SD 3.75Å; F438-M440 HydrophobicContact CZ-CG 4.37Å; F438-M440 HydrophobicContact CZ-SD 4.34Å; M440-E442 VanDerWaalsContact C-N 3.25Å; M440-E442 PolarHBondContact O-N 2.83Å; M440-I443 PolarHBondContact N-O 3.36Å; M440-I443 WeakPolarHBondContact O-CB 3.39Å; M440-I443 PolarHBondContact O-N 3.12Å; M440-T445 HydrophobicContact CG-CG2 4.18Å; M440-T445 HydrophobicContact SD-CG2 3.96Å; M440-I468 HydrophobicContact SD-CD1 4.13Å; M440-I506 HydrophobicContact CE-CB 4.47Å; M440-I506 HydrophobicContact CE-CG2 3.53Å; M440-I506 HydrophobicContact SD-CD1 4.32Å; M440-I506 HydrophobicContact SD-CG2 3.94Å |
| 441 | K | 84.9 | Confident | 93.1 | Very high | 179 Ų | 179 | 30.6 Ų | 30.6 | 78% | 0.778 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.2 | -179.9 | -55.4 | 179.1 | -178.1 | 177.1 | 0 | 111.5 | I443 | K441-I443 PolarHBondContact O-N 2.82Š|
| 442 | E | 84.6 | Confident | 93.1 | Very high | 155 Ų | 155 | 31.9 Ų | 31.9 | 72% | 0.724 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 6.3 | -176.5 | -52.6 | -56.4 | 140.5 | 0 | 0 | 116.2 | M440 | M440-E442 VanDerWaalsContact C-N 3.25Å; M440-E442 PolarHBondContact O-N 2.83Å |
| 443 | I | 90.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126 | 178 | -53 | 173.2 | 0 | 0 | 0 | 110.3 | Q439 M440 K441 T445 R458 | Q439-I443 WeakPolarHBondContact CA-O 2.99Å; M440-I443 PolarHBondContact N-O 3.36Å; M440-I443 WeakPolarHBondContact O-CB 3.39Å; M440-I443 PolarHBondContact O-N 3.12Å; K441-I443 PolarHBondContact O-N 2.82Å; I443-T445 PolarHBondContact O-N 3.35Å; I443-T445 PolarHBondContact O-OG1 2.6Å; I443-R458 HydrophobicContact CG2-CG 3.49Å; I443-R458 VanDerWaalsContact CG2-CG 3.49Å |
| 444 | P | 93.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 121.8 | 173.4 | -22.9 | 33 | 0 | 0 | 0 | 111.3 | Y389 I459 | Y389-P444 HydrophobicContact CD2-CB 4.17Å; Y389-P444 HydrophobicContact CE2-CB 3.89Å; Y389-P444 HydrophobicContact CE2-CG 3.92Å; P444-I459 HydrophobicContact CB-CB 4.37Å; P444-I459 PolarHBondContact O-N 3.26Å |
| 445 | T | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.5 | -176.1 | -56 | 0 | 0 | 0 | 0 | 108.4 | F437 F438 M440 I443 Y457 I468 | F437-T445 WeakPolarHBondContact CA-O 3.42Å; F438-T445 HydrophobicContact CD2-CG2 4.48Å; F438-T445 HydrophobicContact CE1-CG2 3.94Å; F438-T445 HydrophobicContact CE2-CG2 3.76Å; F438-T445 HydrophobicContact CZ-CG2 3.43Å; F438-T445 VanDerWaalsContact CZ-CG2 3.43Å; F438-T445 PolarHBondContact N-O 2.81Å; F438-T445 PolarHBondContact O-N 3.22Å; M440-T445 HydrophobicContact CG-CG2 4.18Å; M440-T445 HydrophobicContact SD-CG2 3.96Å; I443-T445 PolarHBondContact O-N 3.35Å; I443-T445 PolarHBondContact O-OG1 2.6Å; T445-Y457 CarbonylContact C-O 3.48Å; T445-Y457 WeakPolarHBondContact CA-O 3.3Å; T445-Y457 WeakPolarHBondContact CG2-O 3.4Å; T445-I468 HydrophobicContact CG2-CD1 4.09Å |
| 446 | F | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.1 | 170.8 | 73.6 | -89.5 | 0 | 0 | 0 | 111.3 | L400 F425 C436 F437 L448 Y457 I459 | L400-F446 HydrophobicContact CD1-CZ 4.47Å; L400-F446 HydrophobicContact CD2-CD1 3.65Å; L400-F446 HydrophobicContact CD2-CD2 4.21Å; L400-F446 HydrophobicContact CD2-CE1 3.42Å; L400-F446 VanDerWaalsContact CD2-CE1 3.42Å; L400-F446 HydrophobicContact CD2-CE2 4.03Å; L400-F446 HydrophobicContact CD2-CG 4.03Å; L400-F446 HydrophobicContact CD2-CZ 3.63Å; F425-F446 HydrophobicContact CE1-CE1 4.19Å; F425-F446 AromaticContact CE1-CZ 3.77Å; F425-F446 HydrophobicContact CE1-CZ 3.77Å; F425-F446 HydrophobicContact CZ-CZ 4.24Å; C436-F446 VanDerWaalsContact O-CA 3.26Å; C436-F446 WeakPolarHBondContact O-CA 3.41Å; C436-F446 WeakPolarHBondContact O-CB 3.15Å; F437-F446 HydrophobicContact CD1-CB 3.62Å; F437-F446 HydrophobicContact CE1-CB 3.82Å; F437-F446 HydrophobicContact CE1-CD1 4.24Å; F437-F446 HydrophobicContact CE1-CG 4.29Å; F437-F446 HydrophobicContact CG-CB 4.18Å; F446-L448 HydrophobicContact CD2-CB 4.41Å; F446-L448 HydrophobicContact CE2-CB 4.26Å; F446-Y457 HydrophobicContact CD2-CD2 4.22Å; F446-Y457 HydrophobicContact CE1-CD2 4.43Å; F446-Y457 AromaticContact CE1-CG 3.93Å; F446-Y457 HydrophobicContact CE1-CG 3.93Å; F446-Y457 AromaticContact CE2-CD2 3.45Å; F446-Y457 HydrophobicContact CE2-CD2 3.45Å; F446-Y457 VanDerWaalsContact CE2-CD2 3.45Å; F446-Y457 HydrophobicContact CE2-CE2 4.22Å; F446-Y457 AromaticContact CE2-CG 3.8Å; F446-Y457 HydrophobicContact CE2-CG 3.8Å; F446-Y457 HydrophobicContact CZ-CD1 4.13Å; F446-Y457 AromaticContact CZ-CD2 3.58Å; F446-Y457 HydrophobicContact CZ-CD2 3.58Å; F446-Y457 HydrophobicContact CZ-CE2 4.43Å; F446-Y457 AromaticContact CZ-CG 3.4Å; F446-Y457 HydrophobicContact CZ-CG 3.4Å; F446-Y457 PolarHBondContact N-O 2.53Å; F446-Y457 PolarHBondContact O-N 2.77Å; F446-I459 HydrophobicContact CD1-CD1 4.05Å; F446-I459 HydrophobicContact CD1-CG1 4.07Å; F446-I459 HydrophobicContact CE1-CD1 4.44Å; F446-I459 HydrophobicContact CE1-CG1 4.24Å |
| 447 | A | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 141 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L435 C436 F438 L454 A455 L456 L483 L492 | L435-A447 WeakPolarHBondContact CA-O 3.38Å; L435-A447 WeakPolarHBondContact CB-O 3.42Å; C436-A447 PolarHBondContact N-O 2.91Å; C436-A447 VanDerWaalsContact N-O 3.14Å; C436-A447 PolarHBondContact O-N 2.63Å; F438-A447 HydrophobicContact CE1-CB 3.9Å; A447-L454 HydrophobicContact CB-CD1 4.06Å; A447-A455 CarbonylContact C-O 3.57Å; A447-A455 WeakPolarHBondContact CA-O 3.4Å; A447-L456 HydrophobicContact CB-CD2 3.64Å; A447-L483 HydrophobicContact CB-CD2 3.66Å; A447-L492 HydrophobicContact CB-CD1 3.53Å; A447-L492 HydrophobicContact CB-CD2 4.36Å |
| 448 | L | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.1 | -180 | -178 | 143.5 | 0 | 0 | 0 | 109.9 | T398 L429 P430 C433 F446 A455 | T398-L448 HydrophobicContact CG2-CD1 3.92Å; L429-L448 HydrophobicContact CD1-CD1 4.38Å; P430-L448 HydrophobicContact CG-CD2 3.72Å; C433-L448 HydrophobicContact CB-CD1 4.05Å; C433-L448 HydrophobicContact CB-CD2 3.91Å; C433-L448 HydrophobicContact CB-CG 3.8Å; F446-L448 HydrophobicContact CD2-CB 4.41Å; F446-L448 HydrophobicContact CE2-CB 4.26Å; L448-A455 PolarHBondContact N-O 2.73Å; L448-A455 PolarHBondContact O-N 2.85Å |
| 449 | A | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C433 P434 S453 I480 | C433-A449 VanDerWaalsContact CA-O 3.32Å; C433-A449 WeakPolarHBondContact CA-O 3.28Å; C433-A449 WeakPolarHBondContact CB-O 3.4Å; C433-A449 PolarHBondContact SG-O 3.44Å; C433-A449 VanDerWaalsContact SG-O 3.37Å; P434-A449 HydrophobicContact CB-CB 4.2Å; P434-A449 WeakPolarHBondContact CD-O 3.41Å; P434-A449 HydrophobicContact CG-CB 4.21Å; P434-A449 PolarHBondContact O-N 2.83Å; A449-S453 CarbonylContact C-O 3.5Å; A449-S453 WeakPolarHBondContact CA-O 3.47Å; A449-I480 HydrophobicContact CB-CB 3.85Å; A449-I480 HydrophobicContact CB-CD1 3.38Å; A449-I480 HydrophobicContact CB-CG1 4.25Å; A449-I480 HydrophobicContact CB-CG2 4.03Å |
| 450 | D | 93 | Very high | 92.7 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 32% | 0.316 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 103.4 | 171.7 | -172 | 22.5 | 0 | 0 | 0 | 110.1 | R91 P430 Q452 S453 | R91-D450 IonicContact CZ-OD1 3.35Å; R91-D450 IonicContact NH1-OD1 3.15Å; R91-D450 PolarHBondContact NH1-OD1 2.83Å; R91-D450 IonicContact NH1-OD2 3.75Å; R91-D450 IonicContact NH2-OD1 3.02Å; R91-D450 PolarHBondContact NH2-OD1 2.75Å; R91-D450 IonicContact NH2-OD2 3.96Å; P430-D450 HydrophobicContact CB-CB 4.37Å; P430-D450 HydrophobicContact CG-CB 4Å; D450-Q452 PolarHBondContact O-N 2.91Å; D450-Q452 VanDerWaalsContact O-N 3.14Å; D450-S453 PolarHBondContact N-O 3.01Å; D450-S453 WeakPolarHBondContact O-CB 3.4Å; D450-S453 PolarHBondContact O-N 2.75Å |
| 451 | G | 90.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -116 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C479 I480 | G451-C479 WeakPolarHBondContact O-CA 3.08Å; G451-I480 PolarHBondContact O-N 3.1Å |
| 452 | Q | 91.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 9.8 | 176.8 | -74.9 | -178.3 | 22.5 | 0 | 0 | 113.6 | D450 K472 L473 G475 N476 G478 | D450-Q452 PolarHBondContact O-N 2.91Å; D450-Q452 VanDerWaalsContact O-N 3.14Å; Q452-K472 WeakPolarHBondContact O-CA 3.32Å; Q452-L473 WeakPolarHBondContact O-CD1 3.27Å; Q452-L473 PolarHBondContact O-N 3.27Å; Q452-G475 PolarHBondContact OE1-O 2.71Å; Q452-N476 PolarHBondContact NE2-OD1 3.18Å; Q452-G478 WeakPolarHBondContact CG-O 3.13Å |
| 453 | S | 93.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 42% | 0.42 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.4 | -179.6 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | A449 D450 | A449-S453 CarbonylContact C-O 3.5Å; A449-S453 WeakPolarHBondContact CA-O 3.47Å; D450-S453 PolarHBondContact N-O 3.01Å; D450-S453 WeakPolarHBondContact O-CB 3.4Å; D450-S453 PolarHBondContact O-N 2.75Å |
| 454 | L | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.6 | 175.4 | 179.8 | 62.8 | 0 | 0 | 0 | 108.4 | A447 Q470 A471 L483 L492 M494 F504 | A447-L454 HydrophobicContact CB-CD1 4.06Å; L454-Q470 CarbonylContact O-C 3.44Å; L454-Q470 VanDerWaalsContact O-CA 3.27Å; L454-Q470 WeakPolarHBondContact O-CA 3.42Å; L454-A471 PolarHBondContact N-O 2.88Å; L454-A471 PolarHBondContact O-N 2.63Å; L454-L483 HydrophobicContact CD1-CD1 4.47Å; L454-L483 HydrophobicContact CD1-CD2 4.36Å; L454-L492 HydrophobicContact CD1-CD1 4.5Å; L454-L492 HydrophobicContact CD2-CD1 4.01Å; L454-M494 HydrophobicContact CB-CE 4.1Å; L454-M494 HydrophobicContact CD1-CE 3.46Å; L454-M494 VanDerWaalsContact CD1-CE 3.46Å; L454-M494 HydrophobicContact CD2-CE 3.66Å; L454-M494 HydrophobicContact CD2-SD 4.41Å; L454-M494 HydrophobicContact CG-CE 3.92Å; L454-F504 HydrophobicContact CD2-CB 4.21Å; L454-F504 HydrophobicContact CD2-CD1 3.8Å; L454-F504 HydrophobicContact CD2-CE1 4.36Å; L454-F504 HydrophobicContact CD2-CG 3.98Å |
| 455 | A | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A447 L448 Y457 Q470 | A447-A455 CarbonylContact C-O 3.57Å; A447-A455 WeakPolarHBondContact CA-O 3.4Å; L448-A455 PolarHBondContact N-O 2.73Å; L448-A455 PolarHBondContact O-N 2.85Å; A455-Y457 HydrophobicContact CB-CD2 4.36Å; A455-Y457 HydrophobicContact CB-CE2 3.59Å; A455-Q470 HydrophobicContact CB-CG 4.04Å |
| 456 | L | 95.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.1 | 177.4 | -59.5 | -177.2 | 0 | 0 | 0 | 109.8 | F438 A447 C467 I468 G469 L492 F504 I506 | F438-L456 HydrophobicContact CZ-CD2 4.28Å; A447-L456 HydrophobicContact CB-CD2 3.64Å; L456-C467 CarbonylContact O-C 3.5Å; L456-C467 WeakPolarHBondContact O-CA 3.36Å; L456-C467 PolarHBondContact O-SG 3.14Å; L456-I468 HydrophobicContact CB-CD1 4.12Å; L456-I468 HydrophobicContact CB-CG1 3.6Å; L456-I468 PolarHBondContact O-N 3.19Å; L456-G469 PolarHBondContact N-O 3.41Å; L456-L492 HydrophobicContact CD2-CD1 3.6Å; L456-F504 HydrophobicContact CD1-CE1 4.06Å; L456-I506 HydrophobicContact CD1-CG1 4.21Å; L456-I506 HydrophobicContact CD1-CG2 3.76Å |
| 457 | Y | 94.6 | Very high | 92 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.8 | -179.9 | -67.7 | -94.9 | 0 | 0 | 0 | 111 | L429 T445 F446 A455 S466 C467 | L429-Y457 HydrophobicContact CD2-CE1 4.48Å; L429-Y457 HydrophobicContact CD2-CE2 4.37Å; T445-Y457 CarbonylContact C-O 3.48Å; T445-Y457 WeakPolarHBondContact CA-O 3.3Å; T445-Y457 WeakPolarHBondContact CG2-O 3.4Å; F446-Y457 HydrophobicContact CD2-CD2 4.22Å; F446-Y457 HydrophobicContact CE1-CD2 4.43Å; F446-Y457 AromaticContact CE1-CG 3.93Å; F446-Y457 HydrophobicContact CE1-CG 3.93Å; F446-Y457 AromaticContact CE2-CD2 3.45Å; F446-Y457 HydrophobicContact CE2-CD2 3.45Å; F446-Y457 VanDerWaalsContact CE2-CD2 3.45Å; F446-Y457 HydrophobicContact CE2-CE2 4.22Å; F446-Y457 AromaticContact CE2-CG 3.8Å; F446-Y457 HydrophobicContact CE2-CG 3.8Å; F446-Y457 HydrophobicContact CZ-CD1 4.13Å; F446-Y457 AromaticContact CZ-CD2 3.58Å; F446-Y457 HydrophobicContact CZ-CD2 3.58Å; F446-Y457 HydrophobicContact CZ-CE2 4.43Å; F446-Y457 AromaticContact CZ-CG 3.4Å; F446-Y457 HydrophobicContact CZ-CG 3.4Å; F446-Y457 PolarHBondContact N-O 2.53Å; F446-Y457 PolarHBondContact O-N 2.77Å; A455-Y457 HydrophobicContact CB-CD2 4.36Å; A455-Y457 HydrophobicContact CB-CE2 3.59Å; Y457-S466 CarbonylContact C-O 3.54Å; Y457-S466 WeakPolarHBondContact CA-O 3.31Å; Y457-C467 HydrophobicContact CD1-CB 3.92Å; Y457-C467 HydrophobicContact CE1-CB 3.64Å |
| 458 | R | 93.9 | Very high | 91.8 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.3 | 171.5 | -176.7 | -177.3 | -69.3 | 172.1 | 3.8 | 109.6 | I443 C465 S466 I468 | I443-R458 HydrophobicContact CG2-CG 3.49Å; I443-R458 VanDerWaalsContact CG2-CG 3.49Å; R458-C465 WeakPolarHBondContact O-CA 3.37Å; R458-S466 PolarHBondContact N-O 3.44Å; R458-S466 PolarHBondContact O-N 2.64Å; R458-S466 PolarHBondContact O-OG 3.1Å; R458-I468 HydrophobicContact CB-CD1 4.42Å; R458-I468 HydrophobicContact CB-CG2 3.63Å |
| 459 | I | 93.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.8 | 172 | -53.6 | 179.3 | 0 | 0 | 0 | 107.5 | Y389 L423 F437 P444 F446 | Y389-I459 HydrophobicContact CD1-CD1 4.21Å; Y389-I459 HydrophobicContact CD2-CD1 4.34Å; Y389-I459 HydrophobicContact CE1-CG2 3.93Å; Y389-I459 HydrophobicContact CE2-CG2 4.48Å; Y389-I459 HydrophobicContact CG-CD1 4.11Å; L423-I459 HydrophobicContact CD2-CG2 4Å; F437-I459 HydrophobicContact CE1-CD1 3.85Å; P444-I459 HydrophobicContact CB-CB 4.37Å; P444-I459 PolarHBondContact O-N 3.26Å; F446-I459 HydrophobicContact CD1-CD1 4.05Å; F446-I459 HydrophobicContact CD1-CG1 4.07Å; F446-I459 HydrophobicContact CE1-CD1 4.44Å; F446-I459 HydrophobicContact CE1-CG1 4.24Å |
| 460 | A | 89.7 | Confident | 91.5 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | trans | -72.6 | 164.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N462 D463 V464 | A460-N462 WeakPolarHBondContact CB-OD1 3.39Å; A460-N462 PolarHBondContact O-N 2.98Å; A460-N462 VanDerWaalsContact O-N 3.11Å; A460-D463 PolarHBondContact O-N 2.92Å; A460-V464 WeakPolarHBondContact CB-O 3.05Å; A460-V464 PolarHBondContact N-O 2.97Å | ||
| 461 | S | 84.9 | Confident | 91.5 | Very high | 120 Ų | 120 | 48.8 Ų | 48.8 | 84% | 0.839 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | -179.3 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | D463 | S461-D463 VanDerWaalsContact C-N 3.33Š|
| 462 | N | 85.3 | Confident | 91.7 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 18.1 | 174.3 | 66.9 | -14.4 | 0 | 0 | 0 | 113.1 | A460 V464 | A460-N462 WeakPolarHBondContact CB-OD1 3.39Å; A460-N462 PolarHBondContact O-N 2.98Å; A460-N462 VanDerWaalsContact O-N 3.11Å; N462-V464 WeakPolarHBondContact ND2-CG2 3.42Å; N462-V464 PolarHBondContact O-N 2.8Å; N462-V464 VanDerWaalsContact O-N 3.14Å; N462-V464 WeakPolarHBondContact OD1-CB 3.47Å; N462-V464 PolarHBondContact OD1-N 2.96Å |
| 463 | D | 85.6 | Confident | 91.8 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 62.1 | 16.8 | -179.6 | -58.7 | -26.9 | 0 | 0 | 0 | 114.5 | Y389 R402 L423 A460 S461 C465 | Y389-D463 PolarHBondContact OH-OD1 2.98Å; R402-D463 WeakPolarHBondContact CD-OD1 3.35Å; R402-D463 WeakPolarHBondContact CD-OD2 3.23Å; R402-D463 IonicContact CZ-OD1 3.39Å; R402-D463 IonicContact CZ-OD2 2.79Å; R402-D463 IonicContact NE-OD1 3.98Å; R402-D463 IonicContact NE-OD2 3.42Å; R402-D463 VanDerWaalsContact NH1-CG 3.31Å; R402-D463 IonicContact NH1-OD1 2.58Å; R402-D463 PolarHBondContact NH1-OD1 2.8Å; R402-D463 IonicContact NH1-OD2 3.28Å; R402-D463 PolarHBondContact NH1-OD2 3.2Å; L423-D463 HydrophobicContact CD2-CB 3.79Å; L423-D463 WeakPolarHBondContact CD2-O 3.49Å; A460-D463 PolarHBondContact O-N 2.92Å; S461-D463 VanDerWaalsContact C-N 3.33Å; D463-C465 PolarHBondContact O-N 2.8Å |
| 464 | V | 87.7 | Confident | 91.6 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | trans | -84.2 | 119.9 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | A460 N462 | A460-V464 WeakPolarHBondContact CB-O 3.05Å; A460-V464 PolarHBondContact N-O 2.97Å; N462-V464 WeakPolarHBondContact ND2-CG2 3.42Å; N462-V464 PolarHBondContact O-N 2.8Å; N462-V464 VanDerWaalsContact O-N 3.14Å; N462-V464 WeakPolarHBondContact OD1-CB 3.47Å; N462-V464 PolarHBondContact OD1-N 2.96Å | ||
| 465 | C | 91.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.5 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | F425 R458 D463 | F425-C465 HydrophobicContact CD1-CB 3.59Å; F425-C465 HydrophobicContact CE1-CB 3.23Å; F425-C465 WeakPolarHBondContact CE1-SG 3.22Å; F425-C465 HydrophobicContact CZ-CB 3.98Å; F425-C465 WeakPolarHBondContact CZ-SG 3.47Å; R458-C465 WeakPolarHBondContact O-CA 3.37Å; D463-C465 PolarHBondContact O-N 2.8Å |
| 466 | S | 90.5 | Very high | 90.8 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.9 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | Y457 R458 I468 | Y457-S466 CarbonylContact C-O 3.54Å; Y457-S466 WeakPolarHBondContact CA-O 3.31Å; R458-S466 PolarHBondContact N-O 3.44Å; R458-S466 PolarHBondContact O-N 2.64Å; R458-S466 PolarHBondContact O-OG 3.1Å; S466-I468 PolarHBondContact O-N 3.12Å |
| 467 | C | 91.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.8 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 109 | L456 Y457 | L456-C467 CarbonylContact O-C 3.5Å; L456-C467 WeakPolarHBondContact O-CA 3.36Å; L456-C467 PolarHBondContact O-SG 3.14Å; Y457-C467 HydrophobicContact CD1-CB 3.92Å; Y457-C467 HydrophobicContact CE1-CB 3.64Å |
| 468 | I | 92.6 | Very high | 90.3 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -13 | -178 | 60.5 | 171.8 | 0 | 0 | 0 | 112.9 | M440 T445 L456 R458 S466 | M440-I468 HydrophobicContact SD-CD1 4.13Å; T445-I468 HydrophobicContact CG2-CD1 4.09Å; L456-I468 HydrophobicContact CB-CD1 4.12Å; L456-I468 HydrophobicContact CB-CG1 3.6Å; L456-I468 PolarHBondContact O-N 3.19Å; R458-I468 HydrophobicContact CB-CD1 4.42Å; R458-I468 HydrophobicContact CB-CG2 3.63Å; S466-I468 PolarHBondContact O-N 3.12Å |
| 469 | G | 91.3 | Very high | 90.3 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 154.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L456 | L456-G469 PolarHBondContact N-O 3.41Å |
| 470 | Q | 93.6 | Very high | 90.4 | Very high | 151 Ų | 151 | 55 Ų | 55 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.8 | 172 | -66 | -175.9 | -12.4 | 0 | 0 | 109 | L454 A455 | L454-Q470 CarbonylContact O-C 3.44Å; L454-Q470 VanDerWaalsContact O-CA 3.27Å; L454-Q470 WeakPolarHBondContact O-CA 3.42Å; A455-Q470 HydrophobicContact CB-CG 4.04Å |
| 471 | A | 94.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L454 F504 F511 | L454-A471 PolarHBondContact N-O 2.88Å; L454-A471 PolarHBondContact O-N 2.63Å; A471-F504 HydrophobicContact CB-CD2 4.28Å; A471-F504 HydrophobicContact CB-CE2 3.57Å; A471-F504 HydrophobicContact CB-CZ 3.79Å; A471-F511 HydrophobicContact CB-CE2 3.82Å; A471-F511 HydrophobicContact CB-CZ 4.02Å |
| 472 | K | 94.6 | Very high | 90.9 | Very high | 149 Ų | 149 | 50.5 Ų | 50.5 | 65% | 0.648 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.1 | 173 | -170.5 | 178.7 | 179.1 | -179.3 | 0 | 108.8 | Q452 F511 | Q452-K472 WeakPolarHBondContact O-CA 3.32Å; K472-F511 VanDerWaalsContact O-CE2 3.28Å; K472-F511 WeakPolarHBondContact O-CE2 3.3Å |
| 473 | L | 92.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.4 | 177.8 | -88.1 | 74.7 | 0 | 0 | 0 | 110.3 | Q452 L477 I480 M494 T496 F511 | Q452-L473 WeakPolarHBondContact O-CD1 3.27Å; Q452-L473 PolarHBondContact O-N 3.27Å; L473-L477 HydrophobicContact CB-CD1 4.34Å; L473-L477 HydrophobicContact CD2-CB 4.23Å; L473-L477 HydrophobicContact CD2-CD1 4.09Å; L473-I480 HydrophobicContact CD1-CD1 3.63Å; L473-I480 HydrophobicContact CD1-CG1 4.08Å; L473-I480 HydrophobicContact CD2-CD1 4.41Å; L473-I480 HydrophobicContact CD2-CG1 3.93Å; L473-M494 HydrophobicContact CD1-CE 4.46Å; L473-M494 HydrophobicContact CD1-SD 4.19Å; L473-M494 HydrophobicContact CD2-SD 4.46Å; L473-T496 HydrophobicContact CD2-CG2 3.71Å; L473-F511 HydrophobicContact CD1-CE1 4.37Å; L473-F511 HydrophobicContact CD1-CZ 4.19Å; L473-F511 HydrophobicContact CG-CE1 4.22Å; L473-F511 HydrophobicContact CG-CZ 4.31Å |
| 474 | P | 90.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.6 | 134.5 | 179.1 | 29.1 | -34.1 | 0 | 0 | 0 | 110.7 | L477 F511 L513 | P474-L477 HydrophobicContact CG-CD1 4.23Å; P474-L477 WeakPolarHBondContact O-CD1 3.3Å; P474-L477 VanDerWaalsContact O-CG 3.22Å; P474-L477 WeakPolarHBondContact O-CG 3.35Å; P474-F511 HydrophobicContact CG-CB 3.97Å; P474-F511 HydrophobicContact CG-CG 4.25Å; P474-L513 HydrophobicContact CG-CD1 4.3Å; P474-L513 HydrophobicContact CG-CD2 4.12Å; P474-L513 HydrophobicContact CG-CG 4.35Å |
| 475 | G | 86.5 | Confident | 92.3 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 68.6 | -156.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q452 | Q452-G475 PolarHBondContact OE1-O 2.71Š|
| 476 | N | 86.5 | Confident | 92.5 | Very high | 133 Ų | 133 | 43.9 Ų | 43.9 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -108.5 | 74 | -179.8 | -170.6 | 12.7 | 0 | 0 | 0 | 110.9 | Q452 G478 | Q452-N476 PolarHBondContact NE2-OD1 3.18Å; N476-G478 VanDerWaalsContact C-N 3.3Å |
| 477 | L | 89.8 | Confident | 92.5 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -85.2 | -5.5 | -178.9 | -54.8 | -178.2 | 0 | 0 | 0 | 113.2 | L473 P474 T496 S498 E500 A502 L513 | L473-L477 HydrophobicContact CB-CD1 4.34Å; L473-L477 HydrophobicContact CD2-CB 4.23Å; L473-L477 HydrophobicContact CD2-CD1 4.09Å; P474-L477 HydrophobicContact CG-CD1 4.23Å; P474-L477 WeakPolarHBondContact O-CD1 3.3Å; P474-L477 VanDerWaalsContact O-CG 3.22Å; P474-L477 WeakPolarHBondContact O-CG 3.35Å; L477-T496 HydrophobicContact CB-CG2 3.94Å; L477-T496 VanDerWaalsContact O-CB 3.28Å; L477-T496 WeakPolarHBondContact O-CB 3.33Å; L477-T496 PolarHBondContact O-OG1 3.35Å; L477-S498 WeakPolarHBondContact O-CB 3.47Å; L477-S498 PolarHBondContact O-N 2.77Å; L477-S498 PolarHBondContact O-OG 3.44Å; L477-E500 HydrophobicContact CD2-CB 4.25Å; L477-E500 VanDerWaalsContact CD2-CD 3.45Å; L477-E500 HydrophobicContact CD2-CG 4.32Å; L477-E500 WeakPolarHBondContact CD2-OE2 3.32Å; L477-A502 HydrophobicContact CD1-CB 4.48Å; L477-L513 HydrophobicContact CD1-CD2 3.82Å | ||
| 478 | G | 90.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | 73.9 | -160 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q452 N476 S497 | Q452-G478 WeakPolarHBondContact CG-O 3.13Å; N476-G478 VanDerWaalsContact C-N 3.3Å; G478-S497 WeakPolarHBondContact CA-OG 3.1Å | ||
| 479 | C | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | trans | -82.6 | 148.1 | -178 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | H88 G451 Q481 T496 S497 | H88-C479 VanDerWaalsContact O-CB 3.28Å; H88-C479 WeakPolarHBondContact O-CB 3.22Å; G451-C479 WeakPolarHBondContact O-CA 3.08Å; C479-Q481 PolarHBondContact O-N 3.01Å; C479-Q481 PolarHBondContact SG-NE2 2.66Å; C479-T496 CarbonylContact O-C 3.52Å; C479-T496 WeakPolarHBondContact O-CA 3.21Å; C479-S497 PolarHBondContact N-OG 3.13Å; C479-S497 PolarHBondContact O-N 3.21Å; C479-S497 PolarHBondContact O-OG 3.31Å | ||
| 480 | I | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.8 | 169.8 | -61.1 | 141.7 | 0 | 0 | 0 | 108.7 | H90 P434 A449 G451 L473 K482 M494 | H90-I480 PolarHBondContact NE2-O 2.93Å; P434-I480 HydrophobicContact CG-CG2 4.46Å; P434-I480 VanDerWaalsContact CG-O 3.27Å; P434-I480 WeakPolarHBondContact CG-O 3.45Å; A449-I480 HydrophobicContact CB-CB 3.85Å; A449-I480 HydrophobicContact CB-CD1 3.38Å; A449-I480 HydrophobicContact CB-CG1 4.25Å; A449-I480 HydrophobicContact CB-CG2 4.03Å; G451-I480 PolarHBondContact O-N 3.1Å; L473-I480 HydrophobicContact CD1-CD1 3.63Å; L473-I480 HydrophobicContact CD1-CG1 4.08Å; L473-I480 HydrophobicContact CD2-CD1 4.41Å; L473-I480 HydrophobicContact CD2-CG1 3.93Å; I480-K482 WeakPolarHBondContact CG2-O 3.46Å; I480-M494 HydrophobicContact CD1-CE 3.23Å; I480-M494 HydrophobicContact CD1-SD 4.11Å; I480-M494 HydrophobicContact CG1-CE 3.66Å; I480-M494 HydrophobicContact CG1-SD 4.04Å; I480-M494 HydrophobicContact CG2-CB 4.29Å; I480-M494 HydrophobicContact CG2-CE 4.15Å |
| 481 | Q | 92.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -40.1 | 177.5 | -67.8 | -67.6 | -29.4 | 0 | 0 | 111.3 | H90 C479 I495 | H90-Q481 PolarHBondContact CE1-NE2 2.83Å; H90-Q481 PolarHBondContact CE1-OE1 2.75Å; H90-Q481 VanDerWaalsContact CE1-OE1 3.28Å; C479-Q481 PolarHBondContact O-N 3.01Å; C479-Q481 PolarHBondContact SG-NE2 2.66Å; Q481-I495 PolarHBondContact N-O 2.88Å |
| 482 | K | 93.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.2 | -179.8 | -179.1 | 167.3 | 179.1 | 159.5 | 0 | 110.2 | E320 I480 V484 M494 I495 D523 | E320-K482 WeakPolarHBondContact OE1-CD 3.39Å; E320-K482 WeakPolarHBondContact OE1-CE 3.47Å; E320-K482 IonicContact OE1-NZ 2.62Å; E320-K482 PolarHBondContact OE1-NZ 3.49Å; I480-K482 WeakPolarHBondContact CG2-O 3.46Å; K482-V484 HydrophobicContact CD-CG2 4.37Å; K482-V484 VanDerWaalsContact CE-CG2 3.46Å; K482-V484 HydrophobicContact CG-CG2 4.15Å; K482-M494 VanDerWaalsContact O-CA 3.26Å; K482-M494 WeakPolarHBondContact O-CA 3.49Å; K482-I495 HydrophobicContact CB-CB 4.16Å; K482-I495 HydrophobicContact CB-CD1 4.37Å; K482-I495 HydrophobicContact CB-CG1 4.4Å; K482-I495 HydrophobicContact CD-CD1 4.27Å; K482-I495 PolarHBondContact N-O 3.29Å; K482-I495 PolarHBondContact O-N 3.02Å; K482-D523 WeakPolarHBondContact CE-OD1 3.28Å; K482-D523 IonicContact NZ-OD1 2.59Å; K482-D523 PolarHBondContact NZ-OD1 3.06Å; K482-D523 IonicContact NZ-OD2 3.26Å |
| 483 | L | 95.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.7 | -180 | -173.7 | 63.8 | 0 | 0 | 0 | 109.1 | C436 A447 L454 L492 M494 | C436-L483 HydrophobicContact CB-CD2 4.36Å; C436-L483 HydrophobicContact CB-CG 4.33Å; A447-L483 HydrophobicContact CB-CD2 3.66Å; L454-L483 HydrophobicContact CD1-CD1 4.47Å; L454-L483 HydrophobicContact CD1-CD2 4.36Å; L483-L492 HydrophobicContact CD1-CB 4.17Å; L483-M494 HydrophobicContact CD1-CE 3.51Å; L483-M494 HydrophobicContact CD1-CG 3.67Å; L483-M494 HydrophobicContact CD1-SD 4.44Å |
| 484 | V | 95.5 | Very high | 93 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 19% | 0.194 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.5 | 180 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | K482 L492 A493 I524 F526 | K482-V484 HydrophobicContact CD-CG2 4.37Å; K482-V484 VanDerWaalsContact CE-CG2 3.46Å; K482-V484 HydrophobicContact CG-CG2 4.15Å; V484-L492 CarbonylContact O-C 3.54Å; V484-L492 WeakPolarHBondContact O-CA 3.27Å; V484-A493 PolarHBondContact N-O 3.09Å; V484-A493 PolarHBondContact O-N 2.77Å; V484-I524 HydrophobicContact CG2-CD1 4.39Å; V484-I524 HydrophobicContact CG2-CG1 4.08Å; V484-F526 HydrophobicContact CG1-CD2 4.31Å |
| 485 | A | 95.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 23.5 Ų | 23.5 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F438 L492 F526 | F438-A485 HydrophobicContact CB-CB 3.54Å; F438-A485 HydrophobicContact CD1-CB 4.09Å; F438-A485 HydrophobicContact CG-CB 3.87Å; A485-L492 HydrophobicContact CB-CD2 3.62Å; A485-F526 VanDerWaalsContact C-CD2 3.45Å; A485-F526 WeakPolarHBondContact O-CD2 3.49Å |
| 486 | S | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | trans | -69.7 | 154.5 | 169.5 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | C488 G489 S490 M491 F526 | S486-C488 PolarHBondContact O-N 2.91Å; S486-C488 VanDerWaalsContact O-N 3.17Å; S486-C488 PolarHBondContact OG-SG 2.86Å; S486-G489 PolarHBondContact O-N 3.47Å; S486-G489 PolarHBondContact OG-N 2.94Å; S486-S490 PolarHBondContact OG-N 2.88Å; S486-M491 PolarHBondContact N-O 3.15Å; S486-M491 PolarHBondContact OG-N 3.34Å; S486-M491 VanDerWaalsContact OG-N 3.09Å; S486-M491 PolarHBondContact OG-O 3.06Å; S486-F526 VanDerWaalsContact CA-CD2 3.4Å; S486-F526 VanDerWaalsContact N-CD2 3.32Å | ||
| 487 | W | 90.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 14.3 Ų | 14.3 | 21% | 0.205 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.2 | -178.3 | -69.8 | 111 | 0 | 0 | 0 | 114.4 | Y326 F526 M577 R579 | Y326-W487 HydrophobicContact CD1-CH2 4.36Å; Y326-W487 AromaticContact CD1-CZ3 3.86Å; Y326-W487 HydrophobicContact CD1-CZ3 3.86Å; Y326-W487 AromaticContact CD2-CZ3 3.95Å; Y326-W487 HydrophobicContact CD2-CZ3 3.95Å; Y326-W487 HydrophobicContact CE1-CE3 4.41Å; Y326-W487 AromaticContact CE1-CZ3 3.72Å; Y326-W487 HydrophobicContact CE1-CZ3 3.72Å; Y326-W487 HydrophobicContact CE2-CE3 4.29Å; Y326-W487 AromaticContact CE2-CZ3 3.82Å; Y326-W487 HydrophobicContact CE2-CZ3 3.82Å; Y326-W487 HydrophobicContact CG-CH2 4.49Å; Y326-W487 AromaticContact CG-CZ3 3.95Å; Y326-W487 HydrophobicContact CG-CZ3 3.95Å; Y326-W487 AromaticContact CZ-CZ3 3.67Å; W487-F526 PolarHBondContact NE1-O 3.18Å; W487-M577 WeakPolarHBondContact CZ2-O 3.36Å; W487-R579 HydrophobicContact CB-CG 4.16Å; W487-R579 HydrophobicContact CD2-CB 3.69Å; W487-R579 HydrophobicContact CD2-CG 3.73Å; W487-R579 HydrophobicContact CE3-CB 3.86Å; W487-R579 HydrophobicContact CE3-CG 3.82Å; W487-R579 HydrophobicContact CG-CB 4.2Å; W487-R579 HydrophobicContact CG-CG 3.9Å; W487-R579 HydrophobicContact CH2-CB 4.11Å; W487-R579 HydrophobicContact CZ2-CB 3.99Å; W487-R579 HydrophobicContact CZ3-CB 4.05Å; W487-R579 HydrophobicContact CZ3-CG 4.42Å |
| 488 | C | 88.8 | Confident | 93.9 | Very high | 70 Ų | 70 | 15.7 Ų | 15.7 | 47% | 0.473 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.4 | 175.6 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | S486 S490 | S486-C488 PolarHBondContact O-N 2.91Å; S486-C488 VanDerWaalsContact O-N 3.17Å; S486-C488 PolarHBondContact OG-SG 2.86Å; C488-S490 VanDerWaalsContact C-N 3.26Å; C488-S490 PolarHBondContact O-N 3.02Å; C488-S490 PolarHBondContact SG-OG 3.08Å |
| 489 | G | 92.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 68.9 | 18.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | S486 I506 | S486-G489 PolarHBondContact O-N 3.47Å; S486-G489 PolarHBondContact OG-N 2.94Å; G489-I506 WeakPolarHBondContact O-CD1 3.44Å |
| 490 | S | 93.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -89.7 | -19.4 | 177.8 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | S486 C488 I506 | S486-S490 PolarHBondContact OG-N 2.88Å; C488-S490 VanDerWaalsContact C-N 3.26Å; C488-S490 PolarHBondContact O-N 3.02Å; C488-S490 PolarHBondContact SG-OG 3.08Å; S490-I506 WeakPolarHBondContact O-CB 3.5Å; S490-I506 PolarHBondContact O-N 3.43Å |
| 491 | M | 95.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.5 | -174.9 | -63.5 | 179.8 | 176 | 0 | 0 | 111.6 | S486 I503 F504 D505 F526 A547 K548 | S486-M491 PolarHBondContact N-O 3.15Å; S486-M491 PolarHBondContact OG-N 3.34Å; S486-M491 VanDerWaalsContact OG-N 3.09Å; S486-M491 PolarHBondContact OG-O 3.06Å; M491-I503 HydrophobicContact CB-CG2 4.35Å; M491-I503 HydrophobicContact SD-CG2 4.4Å; M491-F504 CarbonylContact C-O 3.55Å; M491-F504 VanDerWaalsContact CA-O 3.29Å; M491-F504 WeakPolarHBondContact CA-O 3.4Å; M491-D505 WeakPolarHBondContact CE-OD2 3.39Å; M491-F526 HydrophobicContact CB-CE1 4.2Å; M491-F526 HydrophobicContact CB-CZ 3.84Å; M491-F526 HydrophobicContact SD-CE1 4.5Å; M491-A547 HydrophobicContact CE-CB 4.28Å; M491-A547 HydrophobicContact SD-CB 3.82Å; M491-K548 HydrophobicContact CE-CG 3.91Å |
| 492 | L | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.8 | 171.7 | -61.4 | 172.6 | 0 | 0 | 0 | 109.2 | F438 A447 L454 L456 L483 V484 A485 I503 F504 I506 | F438-L492 HydrophobicContact CD1-CD2 4.17Å; F438-L492 HydrophobicContact CE1-CD2 3.95Å; F438-L492 HydrophobicContact CZ-CD2 4.26Å; A447-L492 HydrophobicContact CB-CD1 3.53Å; A447-L492 HydrophobicContact CB-CD2 4.36Å; L454-L492 HydrophobicContact CD1-CD1 4.5Å; L454-L492 HydrophobicContact CD2-CD1 4.01Å; L456-L492 HydrophobicContact CD2-CD1 3.6Å; L483-L492 HydrophobicContact CD1-CB 4.17Å; V484-L492 CarbonylContact O-C 3.54Å; V484-L492 WeakPolarHBondContact O-CA 3.27Å; A485-L492 HydrophobicContact CB-CD2 3.62Å; L492-I503 CarbonylContact O-C 3.5Å; L492-I503 WeakPolarHBondContact O-CA 3.35Å; L492-F504 HydrophobicContact CB-CB 4.39Å; L492-F504 HydrophobicContact CD1-CD1 4.4Å; L492-F504 PolarHBondContact N-O 3.41Å; L492-F504 PolarHBondContact O-N 2.97Å; L492-I506 HydrophobicContact CD1-CD1 4.35Å; L492-I506 HydrophobicContact CG-CD1 4.08Å; L492-I506 HydrophobicContact CG-CG1 4.42Å |
| 493 | A | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V484 A502 I503 I524 F526 L533 | V484-A493 PolarHBondContact N-O 3.09Å; V484-A493 PolarHBondContact O-N 2.77Å; A493-A502 CarbonylContact C-O 3.53Å; A493-A502 WeakPolarHBondContact CA-O 3.13Å; A493-I503 HydrophobicContact CB-CG1 4.31Å; A493-I524 HydrophobicContact CB-CD1 3.71Å; A493-F526 HydrophobicContact CB-CD2 4.44Å; A493-F526 HydrophobicContact CB-CE2 3.51Å; A493-F526 HydrophobicContact CB-CZ 3.59Å; A493-L533 HydrophobicContact CB-CD1 3.65Å; A493-L533 HydrophobicContact CB-CD2 3.79Å; A493-L533 HydrophobicContact CB-CG 4.39Å |
| 494 | M | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.9 | -170.2 | -49 | 176.6 | 118.1 | 0 | 0 | 110.4 | L454 L473 I480 K482 L483 I501 A502 F511 | L454-M494 HydrophobicContact CB-CE 4.1Å; L454-M494 HydrophobicContact CD1-CE 3.46Å; L454-M494 VanDerWaalsContact CD1-CE 3.46Å; L454-M494 HydrophobicContact CD2-CE 3.66Å; L454-M494 HydrophobicContact CD2-SD 4.41Å; L454-M494 HydrophobicContact CG-CE 3.92Å; L473-M494 HydrophobicContact CD1-CE 4.46Å; L473-M494 HydrophobicContact CD1-SD 4.19Å; L473-M494 HydrophobicContact CD2-SD 4.46Å; I480-M494 HydrophobicContact CD1-CE 3.23Å; I480-M494 HydrophobicContact CD1-SD 4.11Å; I480-M494 HydrophobicContact CG1-CE 3.66Å; I480-M494 HydrophobicContact CG1-SD 4.04Å; I480-M494 HydrophobicContact CG2-CB 4.29Å; I480-M494 HydrophobicContact CG2-CE 4.15Å; K482-M494 VanDerWaalsContact O-CA 3.26Å; K482-M494 WeakPolarHBondContact O-CA 3.49Å; L483-M494 HydrophobicContact CD1-CE 3.51Å; L483-M494 HydrophobicContact CD1-CG 3.67Å; L483-M494 HydrophobicContact CD1-SD 4.44Å; M494-I501 VanDerWaalsContact O-CA 3.27Å; M494-I501 WeakPolarHBondContact O-CA 3.19Å; M494-A502 PolarHBondContact N-O 2.81Å; M494-A502 PolarHBondContact O-N 3.02Å; M494-A502 VanDerWaalsContact O-N 3.1Å; M494-F511 HydrophobicContact SD-CE1 4.19Å |
| 495 | I | 95.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.2 | 162.6 | -58.5 | 175.7 | 0 | 0 | 0 | 107.4 | Q481 K482 I501 P521 I524 | Q481-I495 PolarHBondContact N-O 2.88Å; K482-I495 HydrophobicContact CB-CB 4.16Å; K482-I495 HydrophobicContact CB-CD1 4.37Å; K482-I495 HydrophobicContact CB-CG1 4.4Å; K482-I495 HydrophobicContact CD-CD1 4.27Å; K482-I495 PolarHBondContact N-O 3.29Å; K482-I495 PolarHBondContact O-N 3.02Å; I495-I501 HydrophobicContact CG1-CG1 4.41Å; I495-P521 HydrophobicContact CD1-CB 4.16Å; I495-P521 HydrophobicContact CD1-CG 4.46Å; I495-P521 HydrophobicContact CG1-CB 4.5Å; I495-P521 HydrophobicContact CG2-CB 4.49Å; I495-P521 HydrophobicContact CG2-CG 3.69Å; I495-I524 HydrophobicContact CD1-CD1 4.43Å; I495-I524 HydrophobicContact CD1-CG1 4.05Å; I495-I524 HydrophobicContact CD1-CG2 4.12Å; I495-I524 HydrophobicContact CG1-CD1 3.82Å; I495-I524 HydrophobicContact CG1-CG1 4Å; I495-I524 HydrophobicContact CG1-CG2 4.13Å |
| 496 | T | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 162.6 | 180 | 68 | 0 | 0 | 0 | 0 | 111.9 | L473 L477 C479 S498 F499 E500 | L473-T496 HydrophobicContact CD2-CG2 3.71Å; L477-T496 HydrophobicContact CB-CG2 3.94Å; L477-T496 VanDerWaalsContact O-CB 3.28Å; L477-T496 WeakPolarHBondContact O-CB 3.33Å; L477-T496 PolarHBondContact O-OG1 3.35Å; C479-T496 CarbonylContact O-C 3.52Å; C479-T496 WeakPolarHBondContact O-CA 3.21Å; T496-S498 PolarHBondContact O-N 3.18Å; T496-S498 PolarHBondContact OG1-OG 3.39Å; T496-F499 PolarHBondContact O-N 3.33Å; T496-E500 PolarHBondContact N-O 2.8Å; T496-E500 PolarHBondContact OG1-N 3.03Å; T496-E500 PolarHBondContact OG1-O 2.88Å |
| 497 | S | 92 | Very high | 94 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.6 | 177.1 | 54 | 0 | 0 | 0 | 0 | 113.9 | W52 P87 H88 G478 C479 | W52-S497 WeakPolarHBondContact CZ2-O 3.29Å; P87-S497 WeakPolarHBondContact O-CB 3.47Å; H88-S497 PolarHBondContact CD2-OG 2.91Å; H88-S497 VanDerWaalsContact CD2-OG 3.31Å; G478-S497 WeakPolarHBondContact CA-OG 3.1Å; C479-S497 PolarHBondContact N-OG 3.13Å; C479-S497 PolarHBondContact O-N 3.21Å; C479-S497 PolarHBondContact O-OG 3.31Å |
| 498 | S | 90 | Very high | 94.1 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 8 | 174.4 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | L477 T496 E500 | L477-S498 WeakPolarHBondContact O-CB 3.47Å; L477-S498 PolarHBondContact O-N 2.77Å; L477-S498 PolarHBondContact O-OG 3.44Å; T496-S498 PolarHBondContact O-N 3.18Å; T496-S498 PolarHBondContact OG1-OG 3.39Å; S498-E500 PolarHBondContact O-N 3Å |
| 499 | F | 90.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 23.3 Ų | 23.3 | 29% | 0.289 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 66.3 | 17.5 | -175.6 | -47.9 | -48.4 | 0 | 0 | 0 | 114.7 | W52 T496 Y520 | W52-F499 AromaticContact CD1-CE1 3.7Å; W52-F499 HydrophobicContact CD2-CE1 4.13Å; W52-F499 HydrophobicContact CD2-CZ 4.16Å; W52-F499 AromaticContact CE2-CE1 3.51Å; W52-F499 AromaticContact CE2-CZ 3.7Å; W52-F499 HydrophobicContact CG-CE1 4.23Å; W52-F499 HydrophobicContact CH2-CZ 4.35Å; W52-F499 AromaticContact CZ2-CE1 3.94Å; W52-F499 HydrophobicContact CZ2-CE1 3.94Å; W52-F499 AromaticContact CZ2-CZ 3.81Å; W52-F499 HydrophobicContact CZ2-CZ 3.81Å; W52-F499 AromaticContact NE1-CE1 3.24Å; W52-F499 AromaticContact NE1-CZ 3.94Å; T496-F499 PolarHBondContact O-N 3.33Å; F499-Y520 AromaticContact CD1-CD2 3.4Å; F499-Y520 HydrophobicContact CD1-CD2 3.4Å; F499-Y520 AromaticContact CD1-CE2 3.78Å; F499-Y520 HydrophobicContact CD1-CE2 3.78Å; F499-Y520 AromaticContact CE1-CD2 3.27Å; F499-Y520 HydrophobicContact CE1-CD2 3.27Å; F499-Y520 AromaticContact CE1-CE2 3.52Å; F499-Y520 HydrophobicContact CE1-CE2 3.52Å; F499-Y520 HydrophobicContact CG-CD2 4.31Å; F499-Y520 HydrophobicContact CZ-CD2 4.12Å |
| 500 | E | 93.7 | Very high | 94.4 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | trans | -91.9 | 147.1 | 173.6 | -60 | -167.4 | -166 | 0 | 0 | 111.3 | L477 T496 S498 K516 | L477-E500 HydrophobicContact CD2-CB 4.25Å; L477-E500 VanDerWaalsContact CD2-CD 3.45Å; L477-E500 HydrophobicContact CD2-CG 4.32Å; L477-E500 WeakPolarHBondContact CD2-OE2 3.32Å; T496-E500 PolarHBondContact N-O 2.8Å; T496-E500 PolarHBondContact OG1-N 3.03Å; T496-E500 PolarHBondContact OG1-O 2.88Å; S498-E500 PolarHBondContact O-N 3Å; E500-K516 WeakPolarHBondContact OE1-CE 3.46Å; E500-K516 IonicContact OE1-NZ 3.97Å; E500-K516 PolarHBondContact OE1-NZ 2.84Å | ||
| 501 | I | 96.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.4 | 175.3 | -57.9 | 163.5 | 0 | 0 | 0 | 108.9 | M494 I495 T514 P521 I524 L533 I535 | M494-I501 VanDerWaalsContact O-CA 3.27Å; M494-I501 WeakPolarHBondContact O-CA 3.19Å; I495-I501 HydrophobicContact CG1-CG1 4.41Å; I501-T514 HydrophobicContact CB-CG2 3.91Å; I501-T514 WeakPolarHBondContact CB-OG1 3.29Å; I501-T514 HydrophobicContact CG2-CG2 3.87Å; I501-T514 PolarHBondContact O-N 3.39Å; I501-T514 VanDerWaalsContact O-N 3.08Å; I501-T514 PolarHBondContact O-OG1 2.99Å; I501-P521 HydrophobicContact CD1-CB 3.91Å; I501-P521 HydrophobicContact CG1-CB 4.22Å; I501-P521 HydrophobicContact CG1-CG 4.34Å; I501-I524 HydrophobicContact CD1-CG2 3.93Å; I501-I524 HydrophobicContact CG1-CG2 4.44Å; I501-L533 HydrophobicContact CG2-CD2 3.9Å; I501-I535 HydrophobicContact CD1-CB 4.32Å; I501-I535 HydrophobicContact CD1-CD1 3.75Å; I501-I535 HydrophobicContact CD1-CG1 3.95Å; I501-I535 HydrophobicContact CD1-CG2 3.41Å; I501-I535 VanDerWaalsContact CD1-CG2 3.41Å |
| 502 | A | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | L477 A493 M494 F511 L513 | L477-A502 HydrophobicContact CD1-CB 4.48Å; A493-A502 CarbonylContact C-O 3.53Å; A493-A502 WeakPolarHBondContact CA-O 3.13Å; M494-A502 PolarHBondContact N-O 2.81Å; M494-A502 PolarHBondContact O-N 3.02Å; M494-A502 VanDerWaalsContact O-N 3.1Å; A502-F511 HydrophobicContact CB-CD1 4.32Å; A502-L513 HydrophobicContact CB-CD2 3.58Å |
| 503 | I | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.8 | 176.7 | -52.2 | 175.6 | 0 | 0 | 0 | 107.5 | M491 L492 A493 F511 T512 F526 L533 F545 A547 | M491-I503 HydrophobicContact CB-CG2 4.35Å; M491-I503 HydrophobicContact SD-CG2 4.4Å; L492-I503 CarbonylContact O-C 3.5Å; L492-I503 WeakPolarHBondContact O-CA 3.35Å; A493-I503 HydrophobicContact CB-CG1 4.31Å; I503-F511 CarbonylContact O-C 3.55Å; I503-F511 VanDerWaalsContact O-CA 3.32Å; I503-F511 WeakPolarHBondContact O-CA 3.4Å; I503-T512 PolarHBondContact N-O 2.76Å; I503-T512 PolarHBondContact O-N 3.23Å; I503-F526 HydrophobicContact CG2-CZ 4.23Å; I503-L533 HydrophobicContact CD1-CB 4.31Å; I503-L533 HydrophobicContact CD1-CD2 3.75Å; I503-L533 HydrophobicContact CG1-CD2 4.05Å; I503-F545 HydrophobicContact CD1-CD1 3.62Å; I503-F545 HydrophobicContact CD1-CE1 3.82Å; I503-A547 HydrophobicContact CB-CB 4.46Å; I503-A547 HydrophobicContact CD1-CB 3.74Å; I503-A547 HydrophobicContact CG2-CB 3.89Å |
| 504 | F | 96.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.3 | 176.6 | -177.8 | -109.4 | 0 | 0 | 0 | 109.5 | L454 L456 A471 M491 L492 I506 T510 F511 | L454-F504 HydrophobicContact CD2-CB 4.21Å; L454-F504 HydrophobicContact CD2-CD1 3.8Å; L454-F504 HydrophobicContact CD2-CE1 4.36Å; L454-F504 HydrophobicContact CD2-CG 3.98Å; L456-F504 HydrophobicContact CD1-CE1 4.06Å; A471-F504 HydrophobicContact CB-CD2 4.28Å; A471-F504 HydrophobicContact CB-CE2 3.57Å; A471-F504 HydrophobicContact CB-CZ 3.79Å; M491-F504 CarbonylContact C-O 3.55Å; M491-F504 VanDerWaalsContact CA-O 3.29Å; M491-F504 WeakPolarHBondContact CA-O 3.4Å; L492-F504 HydrophobicContact CB-CB 4.39Å; L492-F504 HydrophobicContact CD1-CD1 4.4Å; L492-F504 PolarHBondContact N-O 3.41Å; L492-F504 PolarHBondContact O-N 2.97Å; F504-I506 HydrophobicContact CD1-CG1 4.01Å; F504-I506 HydrophobicContact CE1-CB 4.48Å; F504-I506 HydrophobicContact CE1-CG1 4.07Å; F504-T510 WeakPolarHBondContact CA-O 3.44Å; F504-T510 WeakPolarHBondContact CD2-O 3.2Å; F504-F511 HydrophobicContact CB-CD1 3.9Å; F504-F511 HydrophobicContact CB-CE1 3.66Å; F504-F511 HydrophobicContact CB-CZ 4.29Å; F504-F511 AromaticContact CD2-CD1 3.96Å; F504-F511 HydrophobicContact CD2-CD1 3.96Å; F504-F511 AromaticContact CD2-CD2 3.9Å; F504-F511 HydrophobicContact CD2-CD2 3.9Å; F504-F511 AromaticContact CD2-CE1 3.72Å; F504-F511 HydrophobicContact CD2-CE1 3.72Å; F504-F511 AromaticContact CD2-CE2 3.65Å; F504-F511 HydrophobicContact CD2-CE2 3.65Å; F504-F511 HydrophobicContact CD2-CG 4.06Å; F504-F511 AromaticContact CD2-CZ 3.55Å; F504-F511 HydrophobicContact CD2-CZ 3.55Å; F504-F511 HydrophobicContact CE2-CD2 4.39Å; F504-F511 HydrophobicContact CE2-CE2 4.01Å; F504-F511 HydrophobicContact CE2-CZ 4.21Å; F504-F511 HydrophobicContact CG-CD1 4.41Å; F504-F511 HydrophobicContact CG-CE1 4.03Å; F504-F511 HydrophobicContact CG-CZ 4.16Å |
| 505 | D | 95.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 19% | 0.193 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.7 | 171.4 | 179.3 | -65.6 | 0 | 0 | 0 | 108.5 | M491 D507 S508 S509 T510 | M491-D505 WeakPolarHBondContact CE-OD2 3.39Å; D505-D507 PolarHBondContact OD1-N 3.23Å; D505-S508 VanDerWaalsContact CB-OG 3.29Å; D505-S508 WeakPolarHBondContact CB-OG 3.16Å; D505-S508 WeakPolarHBondContact OD1-CB 3.34Å; D505-S508 PolarHBondContact OD1-N 3.27Å; D505-S508 PolarHBondContact OD1-OG 3.06Å; D505-S509 WeakPolarHBondContact O-CA 3.32Å; D505-S509 PolarHBondContact O-N 2.78Å; D505-T510 PolarHBondContact N-O 2.8Å; D505-T510 PolarHBondContact O-N 2.8Å |
| 506 | I | 94 | Very high | 93.7 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -40 | -169.9 | -64 | 167.1 | 0 | 0 | 0 | 111.2 | F438 M440 L456 G489 S490 L492 F504 S509 | F438-I506 HydrophobicContact CE2-CD1 3.54Å; F438-I506 HydrophobicContact CZ-CD1 3.79Å; M440-I506 HydrophobicContact CE-CB 4.47Å; M440-I506 HydrophobicContact CE-CG2 3.53Å; M440-I506 HydrophobicContact SD-CD1 4.32Å; M440-I506 HydrophobicContact SD-CG2 3.94Å; L456-I506 HydrophobicContact CD1-CG1 4.21Å; L456-I506 HydrophobicContact CD1-CG2 3.76Å; G489-I506 WeakPolarHBondContact O-CD1 3.44Å; S490-I506 WeakPolarHBondContact O-CB 3.5Å; S490-I506 PolarHBondContact O-N 3.43Å; L492-I506 HydrophobicContact CD1-CD1 4.35Å; L492-I506 HydrophobicContact CG-CD1 4.08Å; L492-I506 HydrophobicContact CG-CG1 4.42Å; F504-I506 HydrophobicContact CD1-CG1 4.01Å; F504-I506 HydrophobicContact CE1-CB 4.48Å; F504-I506 HydrophobicContact CE1-CG1 4.07Å; I506-S509 PolarHBondContact O-N 3.06Å; I506-S509 PolarHBondContact O-OG 2.82Å |
| 507 | D | 90.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 46.7 Ų | 46.7 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -41.3 | -175.3 | -71.7 | -37.5 | 0 | 0 | 0 | 111.3 | D505 | D505-D507 PolarHBondContact OD1-N 3.23Š|
| 508 | S | 92.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.5 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | D505 T510 | D505-S508 VanDerWaalsContact CB-OG 3.29Å; D505-S508 WeakPolarHBondContact CB-OG 3.16Å; D505-S508 WeakPolarHBondContact OD1-CB 3.34Å; D505-S508 PolarHBondContact OD1-N 3.27Å; D505-S508 PolarHBondContact OD1-OG 3.06Å; S508-T510 WeakPolarHBondContact O-CG2 3.33Å; S508-T510 PolarHBondContact O-N 2.94Å; S508-T510 PolarHBondContact OG-N 2.83Å; S508-T510 PolarHBondContact OG-OG1 2.63Å |
| 509 | S | 93.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 58% | 0.58 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.4 | -171.8 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | D505 I506 | D505-S509 WeakPolarHBondContact O-CA 3.32Å; D505-S509 PolarHBondContact O-N 2.78Å; I506-S509 PolarHBondContact O-N 3.06Å; I506-S509 PolarHBondContact O-OG 2.82Å |
| 510 | T | 94.2 | Very high | 92.6 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154.7 | -178.7 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | F504 D505 S508 | F504-T510 WeakPolarHBondContact CA-O 3.44Å; F504-T510 WeakPolarHBondContact CD2-O 3.2Å; D505-T510 PolarHBondContact N-O 2.8Å; D505-T510 PolarHBondContact O-N 2.8Å; S508-T510 WeakPolarHBondContact O-CG2 3.33Å; S508-T510 PolarHBondContact O-N 2.94Å; S508-T510 PolarHBondContact OG-N 2.83Å; S508-T510 PolarHBondContact OG-OG1 2.63Å |
| 511 | F | 95.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.9 | 173.8 | -74.9 | -84.5 | 0 | 0 | 0 | 111.1 | A471 K472 L473 P474 M494 A502 I503 F504 | A471-F511 HydrophobicContact CB-CE2 3.82Å; A471-F511 HydrophobicContact CB-CZ 4.02Å; K472-F511 VanDerWaalsContact O-CE2 3.28Å; K472-F511 WeakPolarHBondContact O-CE2 3.3Å; L473-F511 HydrophobicContact CD1-CE1 4.37Å; L473-F511 HydrophobicContact CD1-CZ 4.19Å; L473-F511 HydrophobicContact CG-CE1 4.22Å; L473-F511 HydrophobicContact CG-CZ 4.31Å; P474-F511 HydrophobicContact CG-CB 3.97Å; P474-F511 HydrophobicContact CG-CG 4.25Å; M494-F511 HydrophobicContact SD-CE1 4.19Å; A502-F511 HydrophobicContact CB-CD1 4.32Å; I503-F511 CarbonylContact O-C 3.55Å; I503-F511 VanDerWaalsContact O-CA 3.32Å; I503-F511 WeakPolarHBondContact O-CA 3.4Å; F504-F511 HydrophobicContact CB-CD1 3.9Å; F504-F511 HydrophobicContact CB-CE1 3.66Å; F504-F511 HydrophobicContact CB-CZ 4.29Å; F504-F511 AromaticContact CD2-CD1 3.96Å; F504-F511 HydrophobicContact CD2-CD1 3.96Å; F504-F511 AromaticContact CD2-CD2 3.9Å; F504-F511 HydrophobicContact CD2-CD2 3.9Å; F504-F511 AromaticContact CD2-CE1 3.72Å; F504-F511 HydrophobicContact CD2-CE1 3.72Å; F504-F511 AromaticContact CD2-CE2 3.65Å; F504-F511 HydrophobicContact CD2-CE2 3.65Å; F504-F511 HydrophobicContact CD2-CG 4.06Å; F504-F511 AromaticContact CD2-CZ 3.55Å; F504-F511 HydrophobicContact CD2-CZ 3.55Å; F504-F511 HydrophobicContact CE2-CD2 4.39Å; F504-F511 HydrophobicContact CE2-CE2 4.01Å; F504-F511 HydrophobicContact CE2-CZ 4.21Å; F504-F511 HydrophobicContact CG-CD1 4.41Å; F504-F511 HydrophobicContact CG-CE1 4.03Å; F504-F511 HydrophobicContact CG-CZ 4.16Å |
| 512 | T | 95.7 | Very high | 92.4 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.3 | 167.3 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | I503 F545 A550 | I503-T512 PolarHBondContact N-O 2.76Å; I503-T512 PolarHBondContact O-N 3.23Å; T512-F545 HydrophobicContact CG2-CE1 3.9Å; T512-F545 HydrophobicContact CG2-CZ 3.91Å; T512-A550 HydrophobicContact CG2-CB 3.88Å |
| 513 | L | 95.5 | Very high | 92.3 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.7 | 175.3 | -62 | -179.9 | 0 | 0 | 0 | 110.4 | P474 L477 A502 | P474-L513 HydrophobicContact CG-CD1 4.3Å; P474-L513 HydrophobicContact CG-CD2 4.12Å; P474-L513 HydrophobicContact CG-CG 4.35Å; L477-L513 HydrophobicContact CD1-CD2 3.82Å; A502-L513 HydrophobicContact CB-CD2 3.58Å |
| 514 | T | 94.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 149.3 | 170.6 | 66 | 0 | 0 | 0 | 0 | 110.7 | I501 I535 F545 | I501-T514 HydrophobicContact CB-CG2 3.91Å; I501-T514 WeakPolarHBondContact CB-OG1 3.29Å; I501-T514 HydrophobicContact CG2-CG2 3.87Å; I501-T514 PolarHBondContact O-N 3.39Å; I501-T514 VanDerWaalsContact O-N 3.08Å; I501-T514 PolarHBondContact O-OG1 2.99Å; T514-I535 HydrophobicContact CG2-CD1 4.23Å; T514-F545 HydrophobicContact CG2-CB 4.4Å; T514-F545 HydrophobicContact CG2-CD1 3.83Å; T514-F545 HydrophobicContact CG2-CD2 4.27Å; T514-F545 HydrophobicContact CG2-CE1 4.06Å; T514-F545 HydrophobicContact CG2-CG 3.91Å; T514-F545 HydrophobicContact CG2-CZ 4.39Å |
| 515 | P | 91.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 40% | 0.403 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.2 | 171.9 | -22.7 | 32.6 | 0 | 0 | 0 | 112 | V517 F545 F552 | P515-V517 PolarHBondContact O-N 3.29Å; P515-F545 HydrophobicContact CG-CE2 4.48Å; P515-F552 HydrophobicContact CB-CE2 3.86Å; P515-F552 HydrophobicContact CB-CZ 4.3Å; P515-F552 HydrophobicContact CG-CD2 4.32Å; P515-F552 HydrophobicContact CG-CE2 3.69Å; P515-F552 HydrophobicContact CG-CZ 4.2Å |
| 516 | K | 88.4 | Confident | 92.2 | Very high | 167 Ų | 167 | 46 Ų | 46 | 73% | 0.726 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 128.2 | 179.9 | -62.6 | -171.1 | -177.5 | -160.2 | 0 | 111.7 | E500 | E500-K516 WeakPolarHBondContact OE1-CE 3.46Å; E500-K516 IonicContact OE1-NZ 3.97Å; E500-K516 PolarHBondContact OE1-NZ 2.84Å |
| 517 | V | 86 | Confident | 92.2 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | trans | -105.5 | -10.5 | 180 | -178.2 | 0 | 0 | 0 | 0 | 113.1 | P515 Q519 Y537 L543 F552 | P515-V517 PolarHBondContact O-N 3.29Å; V517-Q519 VanDerWaalsContact C-N 3.26Å; V517-Q519 HydrophobicContact CG1-CB 4.45Å; V517-Q519 HydrophobicContact CG1-CG 4.24Å; V517-Q519 PolarHBondContact O-N 3.45Å; V517-Y537 HydrophobicContact CB-CE1 4.12Å; V517-Y537 HydrophobicContact CG1-CE1 4.41Å; V517-Y537 HydrophobicContact CG1-CE2 4.39Å; V517-Y537 WeakPolarHBondContact CG2-OH 3.39Å; V517-L543 HydrophobicContact CG1-CD1 4.39Å; V517-L543 HydrophobicContact CG2-CD1 3.9Å; V517-F552 HydrophobicContact CG2-CZ 4.12Å | ||
| 518 | G | 83.3 | Confident | 92.1 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 68.9 | 22.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 519 | Q | 86.5 | Confident | 92.1 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -129.4 | 158.1 | -179.7 | -62.4 | -175.7 | 47.3 | 0 | 0 | 109.9 | V517 P521 Y537 T539 | V517-Q519 VanDerWaalsContact C-N 3.26Å; V517-Q519 HydrophobicContact CG1-CB 4.45Å; V517-Q519 HydrophobicContact CG1-CG 4.24Å; V517-Q519 PolarHBondContact O-N 3.45Å; Q519-P521 WeakPolarHBondContact O-CD 3.48Å; Q519-Y537 HydrophobicContact CB-CD1 3.59Å; Q519-Y537 HydrophobicContact CB-CE1 4.32Å; Q519-Y537 HydrophobicContact CB-CG 4.01Å; Q519-T539 HydrophobicContact CG-CG2 4.4Å; Q519-T539 PolarHBondContact OE1-OG1 2.89Å |
| 520 | Y | 88.4 | Confident | 91.8 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | trans | -80.9 | 118 | -179 | 171.3 | -104 | 0 | 0 | 0 | 109.7 | Y44 Q50 W52 F499 V522 Y537 D538 | Y44-Y520 HydrophobicContact CD1-CG 4.31Å; Q50-Y520 HydrophobicContact CB-CD1 4.26Å; Q50-Y520 HydrophobicContact CB-CE1 3.97Å; Q50-Y520 HydrophobicContact CG-CD1 4.18Å; Q50-Y520 HydrophobicContact CG-CE1 4.22Å; W52-Y520 AromaticContact CD1-CE2 3.63Å; W52-Y520 HydrophobicContact CG-CE2 4.29Å; F499-Y520 AromaticContact CD1-CD2 3.4Å; F499-Y520 HydrophobicContact CD1-CD2 3.4Å; F499-Y520 AromaticContact CD1-CE2 3.78Å; F499-Y520 HydrophobicContact CD1-CE2 3.78Å; F499-Y520 AromaticContact CE1-CD2 3.27Å; F499-Y520 HydrophobicContact CE1-CD2 3.27Å; F499-Y520 AromaticContact CE1-CE2 3.52Å; F499-Y520 HydrophobicContact CE1-CE2 3.52Å; F499-Y520 HydrophobicContact CG-CD2 4.31Å; F499-Y520 HydrophobicContact CZ-CD2 4.12Å; Y520-V522 HydrophobicContact CD1-CG2 3.75Å; Y520-V522 HydrophobicContact CE1-CB 4.48Å; Y520-V522 HydrophobicContact CE1-CG2 3.97Å; Y520-V522 PolarHBondContact O-N 3.45Å; Y520-Y537 CarbonylContact O-C 3.58Å; Y520-Y537 VanDerWaalsContact O-CA 3.23Å; Y520-Y537 WeakPolarHBondContact O-CA 3.37Å; Y520-D538 HydrophobicContact CD1-CB 4.03Å; Y520-D538 HydrophobicContact CG-CB 4.44Å; Y520-D538 PolarHBondContact N-OD1 3.41Å; Y520-D538 PolarHBondContact O-N 2.87Å | ||
| 521 | P | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 110.8 | 173.5 | 30.5 | -33.4 | 0 | 0 | 0 | 109.1 | I495 I501 Q519 I535 L536 Y537 | I495-P521 HydrophobicContact CD1-CB 4.16Å; I495-P521 HydrophobicContact CD1-CG 4.46Å; I495-P521 HydrophobicContact CG1-CB 4.5Å; I495-P521 HydrophobicContact CG2-CB 4.49Å; I495-P521 HydrophobicContact CG2-CG 3.69Å; I501-P521 HydrophobicContact CD1-CB 3.91Å; I501-P521 HydrophobicContact CG1-CB 4.22Å; I501-P521 HydrophobicContact CG1-CG 4.34Å; Q519-P521 WeakPolarHBondContact O-CD 3.48Å; P521-I535 HydrophobicContact CB-CG2 4.47Å; P521-L536 CarbonylContact C-O 3.51Å; P521-Y537 HydrophobicContact CB-CD1 4.32Å; P521-Y537 HydrophobicContact CB-CE1 4.19Å |
| 522 | V | 91.7 | Very high | 91.6 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 13% | 0.127 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -44.9 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | Q50 Y520 L536 D538 P572 L573 | Q50-V522 HydrophobicContact CG-CG2 4.38Å; Y520-V522 HydrophobicContact CD1-CG2 3.75Å; Y520-V522 HydrophobicContact CE1-CB 4.48Å; Y520-V522 HydrophobicContact CE1-CG2 3.97Å; Y520-V522 PolarHBondContact O-N 3.45Å; V522-L536 HydrophobicContact CB-CG 4.5Å; V522-L536 PolarHBondContact N-O 3.42Å; V522-D538 VanDerWaalsContact CG2-CA 3.5Å; V522-D538 HydrophobicContact CG2-CB 4.08Å; V522-P572 HydrophobicContact CG2-CG 4.49Å; V522-L573 WeakPolarHBondContact CG1-O 3.45Å |
| 523 | D | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 155.6 | -175.3 | -158.2 | -5.2 | 0 | 0 | 0 | 111.9 | K482 L536 G574 L575 | K482-D523 WeakPolarHBondContact CE-OD1 3.28Å; K482-D523 IonicContact NZ-OD1 2.59Å; K482-D523 PolarHBondContact NZ-OD1 3.06Å; K482-D523 IonicContact NZ-OD2 3.26Å; D523-L536 PolarHBondContact N-O 3.37Å; D523-L536 PolarHBondContact O-N 3.04Å; D523-G574 WeakPolarHBondContact OD2-CA 3.33Å; D523-L575 HydrophobicContact CB-CD1 4.46Å; D523-L575 HydrophobicContact CB-CG 4.46Å; D523-L575 PolarHBondContact OD2-N 3.12Å |
| 524 | I | 96 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.5 | 174 | 56.1 | 170 | 0 | 0 | 0 | 110.4 | V484 A493 I495 I501 L533 M534 I535 | V484-I524 HydrophobicContact CG2-CD1 4.39Å; V484-I524 HydrophobicContact CG2-CG1 4.08Å; A493-I524 HydrophobicContact CB-CD1 3.71Å; I495-I524 HydrophobicContact CD1-CD1 4.43Å; I495-I524 HydrophobicContact CD1-CG1 4.05Å; I495-I524 HydrophobicContact CD1-CG2 4.12Å; I495-I524 HydrophobicContact CG1-CD1 3.82Å; I495-I524 HydrophobicContact CG1-CG1 4Å; I495-I524 HydrophobicContact CG1-CG2 4.13Å; I501-I524 HydrophobicContact CD1-CG2 3.93Å; I501-I524 HydrophobicContact CG1-CG2 4.44Å; I524-L533 HydrophobicContact CB-CD1 4.21Å; I524-L533 HydrophobicContact CB-CG 4.5Å; I524-L533 HydrophobicContact CG2-CD2 4.48Å; I524-M534 CarbonylContact C-O 3.55Å; I524-M534 VanDerWaalsContact CA-O 3.23Å; I524-M534 WeakPolarHBondContact CA-O 2.93Å; I524-I535 HydrophobicContact CG2-CB 4.38Å; I524-I535 HydrophobicContact CG2-CG1 4.1Å; I524-I535 HydrophobicContact CG2-CG2 4.13Å |
| 525 | A | 95.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 133.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | M534 L575 M577 | A525-M534 PolarHBondContact N-O 2.85Å; A525-M534 WeakPolarHBondContact O-CB 3.34Å; A525-M534 PolarHBondContact O-N 2.8Å; A525-L575 HydrophobicContact CB-CB 4.2Å; A525-M577 HydrophobicContact CB-CG 3.92Å |
| 526 | F | 95.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 135.8 | 173.3 | -78.9 | -78 | 0 | 0 | 0 | 110.9 | V484 A485 S486 W487 M491 A493 I503 L533 M577 | V484-F526 HydrophobicContact CG1-CD2 4.31Å; A485-F526 VanDerWaalsContact C-CD2 3.45Å; A485-F526 WeakPolarHBondContact O-CD2 3.49Å; S486-F526 VanDerWaalsContact CA-CD2 3.4Å; S486-F526 VanDerWaalsContact N-CD2 3.32Å; W487-F526 PolarHBondContact NE1-O 3.18Å; M491-F526 HydrophobicContact CB-CE1 4.2Å; M491-F526 HydrophobicContact CB-CZ 3.84Å; M491-F526 HydrophobicContact SD-CE1 4.5Å; A493-F526 HydrophobicContact CB-CD2 4.44Å; A493-F526 HydrophobicContact CB-CE2 3.51Å; A493-F526 HydrophobicContact CB-CZ 3.59Å; I503-F526 HydrophobicContact CG2-CZ 4.23Å; F526-L533 HydrophobicContact CD1-CB 4.41Å; F526-L533 HydrophobicContact CD1-CD1 3.96Å; F526-L533 HydrophobicContact CD2-CD1 4.05Å; F526-L533 HydrophobicContact CE1-CB 4.4Å; F526-L533 HydrophobicContact CE1-CD1 4.04Å; F526-L533 HydrophobicContact CE2-CD1 4.15Å; F526-L533 HydrophobicContact CG-CD1 3.98Å; F526-L533 HydrophobicContact CZ-CD1 4.16Å; F526-M577 VanDerWaalsContact O-CB 3.3Å; F526-M577 WeakPolarHBondContact O-CB 3.43Å |
| 527 | S | 93.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | trans | -70.8 | 167.4 | 168.2 | -161 | 0 | 0 | 0 | 0 | 110.7 | V529 D532 | S527-V529 PolarHBondContact O-N 3.02Å; S527-D532 PolarHBondContact N-O 2.97Å | ||
| 528 | S | 90.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 25% | 0.245 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.1 | -21 | 167.3 | 35.8 | 0 | 0 | 0 | 0 | 112.9 | S578 R579 D581 V582 G583 | S528-S578 WeakPolarHBondContact CB-O 3.49Å; S528-S578 PolarHBondContact OG-O 3.3Å; S528-R579 WeakPolarHBondContact CB-O 3.49Å; S528-D581 PolarHBondContact OG-O 2.95Å; S528-V582 WeakPolarHBondContact OG-CA 3.31Å; S528-G583 PolarHBondContact OG-N 3.02Å |
| 529 | V | 90.7 | Very high | 91.9 | Very high | 54 Ų | 54 | 16 Ų | 16 | 33% | 0.327 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -77.8 | 127.6 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | S527 G531 D532 V582 | S527-V529 PolarHBondContact O-N 3.02Å; V529-G531 PolarHBondContact O-N 2.88Å; V529-D532 HydrophobicContact CB-CB 4.14Å; V529-D532 HydrophobicContact CG1-CB 4.49Å; V529-D532 PolarHBondContact O-N 3.3Å; V529-V582 HydrophobicContact CG2-CG1 3.87Å |
| 530 | E | 87.9 | Confident | 91.7 | Very high | 93 Ų | 93 | 14.1 Ų | 14.1 | 44% | 0.435 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 126 | -175.5 | -162.9 | -167.2 | 163.6 | 0 | 0 | 112.2 | D532 K548 | E530-D532 VanDerWaalsContact C-N 3.29Å; E530-D532 PolarHBondContact O-N 3.43Å; E530-K548 VanDerWaalsContact OE1-CE 3.29Å; E530-K548 WeakPolarHBondContact OE1-CE 3.47Å; E530-K548 IonicContact OE1-NZ 2.77Å; E530-K548 PolarHBondContact OE1-NZ 2.94Å; E530-K548 IonicContact OE2-NZ 2.76Å; E530-K548 PolarHBondContact OE2-NZ 3.45Å |
| 531 | G | 91.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -14.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V529 L533 N546 A547 | V529-G531 PolarHBondContact O-N 2.88Å; G531-L533 PolarHBondContact O-N 3.11Å; G531-N546 WeakPolarHBondContact O-CA 3.47Å; G531-A547 WeakPolarHBondContact O-CB 3.34Å; G531-A547 PolarHBondContact O-N 2.81Å |
| 532 | D | 94.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 14.7 Ų | 14.7 | 7% | 0.07 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.7 | 175.5 | -79.3 | 3.3 | 0 | 0 | 0 | 110.2 | S527 V529 E530 E544 N546 K598 | S527-D532 PolarHBondContact N-O 2.97Å; V529-D532 HydrophobicContact CB-CB 4.14Å; V529-D532 HydrophobicContact CG1-CB 4.49Å; V529-D532 PolarHBondContact O-N 3.3Å; E530-D532 VanDerWaalsContact C-N 3.29Å; E530-D532 PolarHBondContact O-N 3.43Å; D532-E544 HydrophobicContact CB-CG 4.38Å; D532-N546 PolarHBondContact OD1-ND2 3.11Å; D532-K598 IonicContact OD2-NZ 3.21Å; D532-K598 PolarHBondContact OD2-NZ 2.8Å |
| 533 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.4 | 177.3 | -175.1 | 72.9 | 0 | 0 | 0 | 110 | A493 I501 I503 I524 F526 G531 I535 E544 F545 | A493-L533 HydrophobicContact CB-CD1 3.65Å; A493-L533 HydrophobicContact CB-CD2 3.79Å; A493-L533 HydrophobicContact CB-CG 4.39Å; I501-L533 HydrophobicContact CG2-CD2 3.9Å; I503-L533 HydrophobicContact CD1-CB 4.31Å; I503-L533 HydrophobicContact CD1-CD2 3.75Å; I503-L533 HydrophobicContact CG1-CD2 4.05Å; I524-L533 HydrophobicContact CB-CD1 4.21Å; I524-L533 HydrophobicContact CB-CG 4.5Å; I524-L533 HydrophobicContact CG2-CD2 4.48Å; F526-L533 HydrophobicContact CD1-CB 4.41Å; F526-L533 HydrophobicContact CD1-CD1 3.96Å; F526-L533 HydrophobicContact CD2-CD1 4.05Å; F526-L533 HydrophobicContact CE1-CB 4.4Å; F526-L533 HydrophobicContact CE1-CD1 4.04Å; F526-L533 HydrophobicContact CE2-CD1 4.15Å; F526-L533 HydrophobicContact CG-CD1 3.98Å; F526-L533 HydrophobicContact CZ-CD1 4.16Å; G531-L533 PolarHBondContact O-N 3.11Å; L533-I535 HydrophobicContact CD2-CG1 4.32Å; L533-I535 HydrophobicContact CG-CG1 4.36Å; L533-E544 WeakPolarHBondContact O-CA 3.45Å; L533-F545 PolarHBondContact N-O 3.01Å; L533-F545 PolarHBondContact O-N 2.97Å |
| 534 | M | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 136.9 | 171.2 | -62.9 | -65.8 | -63.2 | 0 | 0 | 110 | I524 A525 M542 E544 F555 L575 M577 I596 | I524-M534 CarbonylContact C-O 3.55Å; I524-M534 VanDerWaalsContact CA-O 3.23Å; I524-M534 WeakPolarHBondContact CA-O 2.93Å; A525-M534 PolarHBondContact N-O 2.85Å; A525-M534 WeakPolarHBondContact O-CB 3.34Å; A525-M534 PolarHBondContact O-N 2.8Å; M534-M542 HydrophobicContact CE-CE 3.54Å; M534-E544 HydrophobicContact SD-CB 3.65Å; M534-E544 HydrophobicContact SD-CG 3.76Å; M534-F555 HydrophobicContact CE-CD1 4.15Å; M534-F555 HydrophobicContact CE-CE1 3.56Å; M534-F555 HydrophobicContact CE-CZ 3.98Å; M534-F555 HydrophobicContact SD-CE1 4.46Å; M534-L575 HydrophobicContact CB-CD1 4.27Å; M534-M577 HydrophobicContact CB-CG 4.3Å; M534-M577 HydrophobicContact CB-SD 4.34Å; M534-M577 HydrophobicContact CG-CE 3.95Å; M534-M577 HydrophobicContact CG-CG 3.87Å; M534-M577 HydrophobicContact CG-SD 3.7Å; M534-I596 HydrophobicContact CE-CD1 4.44Å |
| 535 | I | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.9 | -176.9 | -51.8 | 166.5 | 0 | 0 | 0 | 108.7 | I501 T514 P521 I524 L533 Y537 M542 L543 F545 F552 | I501-I535 HydrophobicContact CD1-CB 4.32Å; I501-I535 HydrophobicContact CD1-CD1 3.75Å; I501-I535 HydrophobicContact CD1-CG1 3.95Å; I501-I535 HydrophobicContact CD1-CG2 3.41Å; I501-I535 VanDerWaalsContact CD1-CG2 3.41Å; T514-I535 HydrophobicContact CG2-CD1 4.23Å; P521-I535 HydrophobicContact CB-CG2 4.47Å; I524-I535 HydrophobicContact CG2-CB 4.38Å; I524-I535 HydrophobicContact CG2-CG1 4.1Å; I524-I535 HydrophobicContact CG2-CG2 4.13Å; L533-I535 HydrophobicContact CD2-CG1 4.32Å; L533-I535 HydrophobicContact CG-CG1 4.36Å; I535-Y537 HydrophobicContact CB-CE2 4.18Å; I535-Y537 HydrophobicContact CG2-CD2 4.17Å; I535-Y537 HydrophobicContact CG2-CE1 4.11Å; I535-Y537 HydrophobicContact CG2-CE2 3.53Å; I535-M542 CarbonylContact O-C 3.59Å; I535-M542 VanDerWaalsContact O-CA 3.27Å; I535-M542 WeakPolarHBondContact O-CA 3.3Å; I535-M542 WeakPolarHBondContact O-CG 3.37Å; I535-L543 PolarHBondContact N-O 2.67Å; I535-L543 PolarHBondContact O-N 2.97Å; I535-F545 HydrophobicContact CD1-CB 4.13Å; I535-F552 HydrophobicContact CD1-CE1 4.48Å |
| 536 | L | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.3 | 174.5 | 175.8 | 64.6 | 0 | 0 | 0 | 109.9 | P521 V522 D523 M542 W568 P572 G574 L575 | P521-L536 CarbonylContact C-O 3.51Å; V522-L536 HydrophobicContact CB-CG 4.5Å; V522-L536 PolarHBondContact N-O 3.42Å; D523-L536 PolarHBondContact N-O 3.37Å; D523-L536 PolarHBondContact O-N 3.04Å; L536-M542 HydrophobicContact CB-CG 4.39Å; L536-M542 HydrophobicContact CD1-CG 4.11Å; L536-M542 HydrophobicContact CD1-SD 4.45Å; L536-W568 HydrophobicContact CD1-CZ2 4.43Å; L536-P572 HydrophobicContact CD1-CB 4.06Å; L536-P572 HydrophobicContact CD2-CB 3.82Å; L536-P572 HydrophobicContact CG-CB 4.06Å; L536-G574 WeakPolarHBondContact CD2-O 3.33Å; L536-L575 HydrophobicContact CB-CD1 3.34Å; L536-L575 HydrophobicContact CB-CD2 4.07Å; L536-L575 HydrophobicContact CB-CG 3.58Å; L536-L575 HydrophobicContact CD2-CD2 4.23Å; L536-L575 HydrophobicContact CD2-CG 3.91Å; L536-L575 HydrophobicContact CG-CG 4.38Å |
| 537 | Y | 91.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 2% | 0.024 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 163 | 179.5 | -64.9 | -83.9 | 0 | 0 | 0 | 112.7 | V517 Q519 Y520 P521 I535 T539 G540 F541 L543 P572 | V517-Y537 HydrophobicContact CB-CE1 4.12Å; V517-Y537 HydrophobicContact CG1-CE1 4.41Å; V517-Y537 HydrophobicContact CG1-CE2 4.39Å; V517-Y537 WeakPolarHBondContact CG2-OH 3.39Å; Q519-Y537 HydrophobicContact CB-CD1 3.59Å; Q519-Y537 HydrophobicContact CB-CE1 4.32Å; Q519-Y537 HydrophobicContact CB-CG 4.01Å; Y520-Y537 CarbonylContact O-C 3.58Å; Y520-Y537 VanDerWaalsContact O-CA 3.23Å; Y520-Y537 WeakPolarHBondContact O-CA 3.37Å; P521-Y537 HydrophobicContact CB-CD1 4.32Å; P521-Y537 HydrophobicContact CB-CE1 4.19Å; I535-Y537 HydrophobicContact CB-CE2 4.18Å; I535-Y537 HydrophobicContact CG2-CD2 4.17Å; I535-Y537 HydrophobicContact CG2-CE1 4.11Å; I535-Y537 HydrophobicContact CG2-CE2 3.53Å; Y537-T539 PolarHBondContact O-N 3.38Å; Y537-G540 WeakPolarHBondContact O-CA 3.33Å; Y537-G540 PolarHBondContact O-N 2.77Å; Y537-F541 HydrophobicContact CD2-CB 4.38Å; Y537-F541 PolarHBondContact N-O 3.47Å; Y537-L543 HydrophobicContact CE2-CB 4.35Å; Y537-L543 HydrophobicContact CE2-CD1 3.75Å; Y537-L543 HydrophobicContact CE2-CG 4Å; Y537-P572 WeakPolarHBondContact O-CG 3.47Å |
| 538 | D | 86.4 | Confident | 91.3 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.043 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.1 | -177 | 64.8 | -45.8 | 0 | 0 | 0 | 114.9 | Q50 Y520 V522 G540 | Q50-D538 HydrophobicContact CG-CB 4.23Å; Y520-D538 HydrophobicContact CD1-CB 4.03Å; Y520-D538 HydrophobicContact CG-CB 4.44Å; Y520-D538 PolarHBondContact N-OD1 3.41Å; Y520-D538 PolarHBondContact O-N 2.87Å; V522-D538 VanDerWaalsContact CG2-CA 3.5Å; V522-D538 HydrophobicContact CG2-CB 4.08Å; D538-G540 PolarHBondContact O-N 3.1Å |
| 539 | T | 83 | Confident | 91.5 | Very high | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.086 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.8 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | I47 Q519 Y537 F541 | I47-T539 HydrophobicContact CD1-CG2 3.93Å; Q519-T539 HydrophobicContact CG-CG2 4.4Å; Q519-T539 PolarHBondContact OE1-OG1 2.89Å; Y537-T539 PolarHBondContact O-N 3.38Å; T539-F541 VanDerWaalsContact C-N 3.35Å; T539-F541 VanDerWaalsContact OG1-CD2 3.31Å; T539-F541 WeakPolarHBondContact OG1-CD2 3.39Å; T539-F541 PolarHBondContact OG1-N 2.85Å |
| 540 | G | 84 | Confident | 91.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 86.7 | -0.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y537 D538 F564 W568 | Y537-G540 WeakPolarHBondContact O-CA 3.33Å; Y537-G540 PolarHBondContact O-N 2.77Å; D538-G540 PolarHBondContact O-N 3.1Å; G540-F564 WeakPolarHBondContact O-CB 3.3Å; G540-W568 PolarHBondContact O-NE1 3.01Å |
| 541 | F | 86.6 | Confident | 91.9 | Very high | 37 Ų | 37 | 22.5 Ų | 22.5 | 16% | 0.162 | 13% | 0.126 | C | C | . | . | trans | -62.3 | 142.4 | 169.5 | -92.3 | -90.6 | 0 | 0 | 0 | 110.5 | Y537 T539 G561 E562 R565 | Y537-F541 HydrophobicContact CD2-CB 4.38Å; Y537-F541 PolarHBondContact N-O 3.47Å; T539-F541 VanDerWaalsContact C-N 3.35Å; T539-F541 VanDerWaalsContact OG1-CD2 3.31Å; T539-F541 WeakPolarHBondContact OG1-CD2 3.39Å; T539-F541 PolarHBondContact OG1-N 2.85Å; F541-G561 VanDerWaalsContact CD1-CA 3.49Å; F541-G561 VanDerWaalsContact CE1-CA 3.49Å; F541-E562 HydrophobicContact CZ-CG 4.3Å; F541-R565 HydrophobicContact CD2-CB 4.27Å; F541-R565 HydrophobicContact CE2-CB 4.18Å; F541-R565 VanDerWaalsContact CE2-CD 3.49Å; F541-R565 HydrophobicContact CE2-CG 4.47Å | ||
| 542 | M | 89.8 | Confident | 92 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.6 | -177.2 | -138.3 | 173.4 | 72.9 | 0 | 0 | 108.7 | M534 I535 L536 F555 F564 L575 A587 I596 | M534-M542 HydrophobicContact CE-CE 3.54Å; I535-M542 CarbonylContact O-C 3.59Å; I535-M542 VanDerWaalsContact O-CA 3.27Å; I535-M542 WeakPolarHBondContact O-CA 3.3Å; I535-M542 WeakPolarHBondContact O-CG 3.37Å; L536-M542 HydrophobicContact CB-CG 4.39Å; L536-M542 HydrophobicContact CD1-CG 4.11Å; L536-M542 HydrophobicContact CD1-SD 4.45Å; M542-F555 HydrophobicContact CE-CE1 3.83Å; M542-F555 HydrophobicContact CE-CZ 3.83Å; M542-F564 HydrophobicContact CB-CD1 4.36Å; M542-F564 HydrophobicContact CB-CD2 3.96Å; M542-F564 HydrophobicContact CB-CE1 4.45Å; M542-F564 HydrophobicContact CB-CE2 4.1Å; M542-F564 HydrophobicContact CB-CG 4.13Å; M542-F564 HydrophobicContact CB-CZ 4.34Å; M542-F564 HydrophobicContact CE-CD1 4.26Å; M542-F564 HydrophobicContact CE-CE1 3.39Å; M542-F564 HydrophobicContact CE-CE2 4.03Å; M542-F564 HydrophobicContact CE-CZ 3.27Å; M542-F564 HydrophobicContact SD-CD1 4.3Å; M542-F564 HydrophobicContact SD-CE1 3.94Å; M542-F564 HydrophobicContact SD-CZ 4.31Å; M542-L575 HydrophobicContact CG-CD2 4.27Å; M542-L575 HydrophobicContact SD-CD2 3.65Å; M542-A587 HydrophobicContact SD-CB 4.06Å; M542-I596 HydrophobicContact CE-CD1 3.26Å; M542-I596 HydrophobicContact CE-CG1 3.71Å; M542-I596 HydrophobicContact CE-CG2 4.25Å; M542-I596 HydrophobicContact SD-CD1 3.74Å; M542-I596 HydrophobicContact SD-CG1 4.48Å |
| 543 | L | 91.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158.1 | -179.4 | -58.6 | 178.5 | 0 | 0 | 0 | 109.3 | V517 I535 Y537 F552 | V517-L543 HydrophobicContact CG1-CD1 4.39Å; V517-L543 HydrophobicContact CG2-CD1 3.9Å; I535-L543 PolarHBondContact N-O 2.67Å; I535-L543 PolarHBondContact O-N 2.97Å; Y537-L543 HydrophobicContact CE2-CB 4.35Å; Y537-L543 HydrophobicContact CE2-CD1 3.75Å; Y537-L543 HydrophobicContact CE2-CG 4Å; L543-F552 HydrophobicContact CB-CD1 4.18Å; L543-F552 HydrophobicContact CB-CE1 4.06Å; L543-F552 HydrophobicContact CD1-CD1 4.41Å; L543-F552 HydrophobicContact CD1-CE1 3.83Å; L543-F552 HydrophobicContact CD1-CZ 3.95Å |
| 544 | E | 93.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.2 | 171.7 | -178.7 | 173.3 | -111.2 | 0 | 0 | 109.7 | D532 L533 M534 F552 T553 F555 S556 K598 | D532-E544 HydrophobicContact CB-CG 4.38Å; L533-E544 WeakPolarHBondContact O-CA 3.45Å; M534-E544 HydrophobicContact SD-CB 3.65Å; M534-E544 HydrophobicContact SD-CG 3.76Å; E544-F552 CarbonylContact O-C 3.55Å; E544-F552 VanDerWaalsContact O-CA 3.29Å; E544-F552 WeakPolarHBondContact O-CA 3.43Å; E544-F552 WeakPolarHBondContact O-CD1 3.29Å; E544-T553 HydrophobicContact CB-CG2 4.48Å; E544-T553 WeakPolarHBondContact CB-OG1 3.41Å; E544-T553 HydrophobicContact CG-CG2 3.81Å; E544-T553 WeakPolarHBondContact CG-OG1 3.5Å; E544-T553 PolarHBondContact O-N 2.86Å; E544-T553 PolarHBondContact OE2-OG1 3.01Å; E544-F555 HydrophobicContact CB-CB 4.11Å; E544-F555 HydrophobicContact CB-CD1 3.94Å; E544-F555 HydrophobicContact CB-CG 4.38Å; E544-F555 WeakPolarHBondContact OE2-CB 3.28Å; E544-S556 PolarHBondContact N-OG 3.36Å; E544-S556 PolarHBondContact O-OG 3.21Å; E544-K598 WeakPolarHBondContact OE1-CD 3.4Å; E544-K598 WeakPolarHBondContact OE1-CE 3.29Å; E544-K598 IonicContact OE1-NZ 3.13Å; E544-K598 PolarHBondContact OE1-NZ 3.14Å; E544-K598 VanDerWaalsContact OE2-CE 3.25Å; E544-K598 WeakPolarHBondContact OE2-CE 3.39Å; E544-K598 IonicContact OE2-NZ 2.93Å; E544-K598 PolarHBondContact OE2-NZ 3.02Å; E544-K598 VanDerWaalsContact OE2-NZ 3.13Å |
| 545 | F | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.7 | -179.9 | -178.6 | -95.4 | 0 | 0 | 0 | 109.9 | I503 T512 T514 P515 L533 I535 A550 F552 | I503-F545 HydrophobicContact CD1-CD1 3.62Å; I503-F545 HydrophobicContact CD1-CE1 3.82Å; T512-F545 HydrophobicContact CG2-CE1 3.9Å; T512-F545 HydrophobicContact CG2-CZ 3.91Å; T514-F545 HydrophobicContact CG2-CB 4.4Å; T514-F545 HydrophobicContact CG2-CD1 3.83Å; T514-F545 HydrophobicContact CG2-CD2 4.27Å; T514-F545 HydrophobicContact CG2-CE1 4.06Å; T514-F545 HydrophobicContact CG2-CG 3.91Å; T514-F545 HydrophobicContact CG2-CZ 4.39Å; P515-F545 HydrophobicContact CG-CE2 4.48Å; L533-F545 PolarHBondContact N-O 3.01Å; L533-F545 PolarHBondContact O-N 2.97Å; I535-F545 HydrophobicContact CD1-CB 4.13Å; F545-A550 VanDerWaalsContact CE2-C 3.41Å; F545-A550 WeakPolarHBondContact CE2-O 3.45Å; F545-A550 VanDerWaalsContact CZ-C 3.4Å; F545-A550 HydrophobicContact CZ-CB 4.36Å; F545-F552 HydrophobicContact CB-CD1 3.98Å; F545-F552 HydrophobicContact CB-CE1 4.13Å; F545-F552 AromaticContact CD2-CD1 3.96Å; F545-F552 HydrophobicContact CD2-CD1 3.96Å; F545-F552 HydrophobicContact CD2-CE1 4.07Å; F545-F552 HydrophobicContact CD2-CG 4.37Å; F545-F552 HydrophobicContact CG-CD1 4.49Å |
| 546 | N | 95.7 | Very high | 90.2 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.9 | 173.2 | -176.5 | -76.5 | 0 | 0 | 0 | 109.9 | G531 D532 K548 S549 A550 N551 T553 | G531-N546 WeakPolarHBondContact O-CA 3.47Å; D532-N546 PolarHBondContact OD1-ND2 3.11Å; N546-K548 VanDerWaalsContact C-N 3.3Å; N546-K548 PolarHBondContact O-N 3.45Å; N546-K548 WeakPolarHBondContact OD1-CB 3.45Å; N546-K548 PolarHBondContact OD1-N 2.89Å; N546-S549 WeakPolarHBondContact CB-OG 3.2Å; N546-S549 PolarHBondContact OD1-N 3.25Å; N546-S549 PolarHBondContact OD1-OG 2.83Å; N546-A550 WeakPolarHBondContact O-CA 3.48Å; N546-A550 PolarHBondContact O-N 3.44Å; N546-N551 PolarHBondContact N-O 3.37Å; N546-N551 PolarHBondContact O-N 3.04Å; N546-T553 HydrophobicContact CB-CG2 3.87Å |
| 547 | A | 94.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M491 I503 G531 | M491-A547 HydrophobicContact CE-CB 4.28Å; M491-A547 HydrophobicContact SD-CB 3.82Å; I503-A547 HydrophobicContact CB-CB 4.46Å; I503-A547 HydrophobicContact CD1-CB 3.74Å; I503-A547 HydrophobicContact CG2-CB 3.89Å; G531-A547 WeakPolarHBondContact O-CB 3.34Å; G531-A547 PolarHBondContact O-N 2.81Å |
| 548 | K | 91.8 | Very high | 88.5 | Confident | 119 Ų | 119 | 49.2 Ų | 49.2 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -41.4 | -177.7 | -64 | -172.3 | 174.9 | -172.6 | 0 | 112 | M491 E530 N546 A550 | M491-K548 HydrophobicContact CE-CG 3.91Å; E530-K548 VanDerWaalsContact OE1-CE 3.29Å; E530-K548 WeakPolarHBondContact OE1-CE 3.47Å; E530-K548 IonicContact OE1-NZ 2.77Å; E530-K548 PolarHBondContact OE1-NZ 2.94Å; E530-K548 IonicContact OE2-NZ 2.76Å; E530-K548 PolarHBondContact OE2-NZ 3.45Å; N546-K548 VanDerWaalsContact C-N 3.3Å; N546-K548 PolarHBondContact O-N 3.45Å; N546-K548 WeakPolarHBondContact OD1-CB 3.45Å; N546-K548 PolarHBondContact OD1-N 2.89Å; K548-A550 VanDerWaalsContact C-N 3.31Å |
| 549 | S | 93.2 | Very high | 87.6 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 46% | 0.462 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.3 | 175.6 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | N546 N551 | N546-S549 WeakPolarHBondContact CB-OG 3.2Å; N546-S549 PolarHBondContact OD1-N 3.25Å; N546-S549 PolarHBondContact OD1-OG 2.83Å; S549-N551 PolarHBondContact O-N 2.78Å; S549-N551 PolarHBondContact O-ND2 3.3Å |
| 550 | A | 94 | Very high | 87.1 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 34.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T512 F545 N546 K548 | T512-A550 HydrophobicContact CG2-CB 3.88Å; F545-A550 VanDerWaalsContact CE2-C 3.41Å; F545-A550 WeakPolarHBondContact CE2-O 3.45Å; F545-A550 VanDerWaalsContact CZ-C 3.4Å; F545-A550 HydrophobicContact CZ-CB 4.36Å; N546-A550 WeakPolarHBondContact O-CA 3.48Å; N546-A550 PolarHBondContact O-N 3.44Å; K548-A550 VanDerWaalsContact C-N 3.31Å |
| 551 | N | 94.4 | Very high | 86.6 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.3 | -176.1 | -79.3 | -65.2 | 0 | 0 | 0 | 112 | N546 S549 | N546-N551 PolarHBondContact N-O 3.37Å; N546-N551 PolarHBondContact O-N 3.04Å; S549-N551 PolarHBondContact O-N 2.78Å; S549-N551 PolarHBondContact O-ND2 3.3Å |
| 552 | F | 92.8 | Very high | 86 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 139.6 | 167 | -67.6 | -63.1 | 0 | 0 | 0 | 110.2 | P515 V517 I535 L543 E544 F545 | P515-F552 HydrophobicContact CB-CE2 3.86Å; P515-F552 HydrophobicContact CB-CZ 4.3Å; P515-F552 HydrophobicContact CG-CD2 4.32Å; P515-F552 HydrophobicContact CG-CE2 3.69Å; P515-F552 HydrophobicContact CG-CZ 4.2Å; V517-F552 HydrophobicContact CG2-CZ 4.12Å; I535-F552 HydrophobicContact CD1-CE1 4.48Å; L543-F552 HydrophobicContact CB-CD1 4.18Å; L543-F552 HydrophobicContact CB-CE1 4.06Å; L543-F552 HydrophobicContact CD1-CD1 4.41Å; L543-F552 HydrophobicContact CD1-CE1 3.83Å; L543-F552 HydrophobicContact CD1-CZ 3.95Å; E544-F552 CarbonylContact O-C 3.55Å; E544-F552 VanDerWaalsContact O-CA 3.29Å; E544-F552 WeakPolarHBondContact O-CA 3.43Å; E544-F552 WeakPolarHBondContact O-CD1 3.29Å; F545-F552 HydrophobicContact CB-CD1 3.98Å; F545-F552 HydrophobicContact CB-CE1 4.13Å; F545-F552 AromaticContact CD2-CD1 3.96Å; F545-F552 HydrophobicContact CD2-CD1 3.96Å; F545-F552 HydrophobicContact CD2-CE1 4.07Å; F545-F552 HydrophobicContact CD2-CG 4.37Å; F545-F552 HydrophobicContact CG-CD1 4.49Å |
| 553 | T | 90.9 | Very high | 85.3 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | trans | -79.5 | 169.5 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | E544 N546 F555 S556 | E544-T553 HydrophobicContact CB-CG2 4.48Å; E544-T553 WeakPolarHBondContact CB-OG1 3.41Å; E544-T553 HydrophobicContact CG-CG2 3.81Å; E544-T553 WeakPolarHBondContact CG-OG1 3.5Å; E544-T553 PolarHBondContact O-N 2.86Å; E544-T553 PolarHBondContact OE2-OG1 3.01Å; N546-T553 HydrophobicContact CB-CG2 3.87Å; T553-F555 PolarHBondContact O-N 2.76Å; T553-F555 WeakPolarHBondContact OG1-CB 3.45Å; T553-F555 PolarHBondContact OG1-N 3.19Å; T553-S556 VanDerWaalsContact O-CB 3.26Å; T553-S556 WeakPolarHBondContact O-CB 3.21Å; T553-S556 PolarHBondContact O-N 2.7Å | ||
| 554 | D | 85.6 | Confident | 84.4 | Confident | 158 Ų | 158 | 58.7 Ų | 58.7 | 85% | 0.845 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -60.5 | -14.1 | 174.8 | -63 | -20.9 | 0 | 0 | 0 | 113.7 | S556 | D554-S556 PolarHBondContact O-N 3.42Š|
| 555 | F | 84.8 | Confident | 83.5 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -67.2 | -27.4 | 171.3 | -175.6 | -91 | 0 | 0 | 0 | 112.2 | M534 M542 E544 T553 D557 L560 F564 I596 K598 K606 | M534-F555 HydrophobicContact CE-CD1 4.15Å; M534-F555 HydrophobicContact CE-CE1 3.56Å; M534-F555 HydrophobicContact CE-CZ 3.98Å; M534-F555 HydrophobicContact SD-CE1 4.46Å; M542-F555 HydrophobicContact CE-CE1 3.83Å; M542-F555 HydrophobicContact CE-CZ 3.83Å; E544-F555 HydrophobicContact CB-CB 4.11Å; E544-F555 HydrophobicContact CB-CD1 3.94Å; E544-F555 HydrophobicContact CB-CG 4.38Å; E544-F555 WeakPolarHBondContact OE2-CB 3.28Å; T553-F555 PolarHBondContact O-N 2.76Å; T553-F555 WeakPolarHBondContact OG1-CB 3.45Å; T553-F555 PolarHBondContact OG1-N 3.19Å; F555-D557 PolarHBondContact O-N 2.99Å; F555-D557 VanDerWaalsContact O-N 3.07Å; F555-L560 VanDerWaalsContact O-CD1 3.25Å; F555-L560 WeakPolarHBondContact O-CD1 3.31Å; F555-F564 HydrophobicContact CE1-CE2 4.08Å; F555-F564 HydrophobicContact CE1-CZ 4.09Å; F555-F564 HydrophobicContact CZ-CE2 4.06Å; F555-F564 AromaticContact CZ-CZ 3.69Å; F555-F564 HydrophobicContact CZ-CZ 3.69Å; F555-I596 HydrophobicContact CE2-CG2 4.03Å; F555-I596 HydrophobicContact CZ-CG2 3.77Å; F555-K598 HydrophobicContact CD2-CG 3.79Å; F555-K598 HydrophobicContact CE2-CG 3.87Å; F555-K606 HydrophobicContact CD2-CD 4.26Å; F555-K606 HydrophobicContact CE2-CD 4.28Å |
| 556 | S | 83.1 | Confident | 82.6 | Confident | 19 Ų | 19 | 71 Ų | 71 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -79 | 23.7 | -178.1 | -63.4 | 0 | 0 | 0 | 0 | 114.4 | E544 T553 D554 R558 | E544-S556 PolarHBondContact N-OG 3.36Å; E544-S556 PolarHBondContact O-OG 3.21Å; T553-S556 VanDerWaalsContact O-CB 3.26Å; T553-S556 WeakPolarHBondContact O-CB 3.21Å; T553-S556 PolarHBondContact O-N 2.7Å; D554-S556 PolarHBondContact O-N 3.42Å; S556-R558 PolarHBondContact O-N 2.65Å |
| 557 | D | 76.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | trans | -57.8 | 134.8 | 174.6 | -174.2 | -7.1 | 0 | 0 | 0 | 110.7 | F555 W559 L560 G561 | F555-D557 PolarHBondContact O-N 2.99Å; F555-D557 VanDerWaalsContact O-N 3.07Å; D557-W559 PolarHBondContact O-N 3.3Å; D557-W559 PolarHBondContact OD1-N 2.92Å; D557-L560 HydrophobicContact CB-CD1 4.37Å; D557-L560 WeakPolarHBondContact O-CB 3.49Å; D557-L560 PolarHBondContact O-N 2.81Å; D557-L560 VanDerWaalsContact O-N 3.07Å; D557-G561 PolarHBondContact O-N 3.18Å; D557-G561 VanDerWaalsContact O-N 3.15Å | ||
| 558 | R | 71.3 | Confident | 81 | Confident | 218 Ų | 218 | 72.8 Ų | 72.8 | 82% | 0.823 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.2 | -38.4 | 178.5 | -71.5 | -174.6 | 179 | -179.2 | 0.8 | 112 | S556 L560 G561 E562 | S556-R558 PolarHBondContact O-N 2.65Å; R558-L560 PolarHBondContact O-N 2.62Å; R558-G561 PolarHBondContact O-N 3.25Å; R558-E562 PolarHBondContact O-N 2.75Å |
| 559 | W | 67.7 | Low | 80.1 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 42% | 0.42 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | -179.8 | -175.6 | 89.6 | 0 | 0 | 0 | 112.2 | D557 G561 E562 K563 P603 Q604 | D557-W559 PolarHBondContact O-N 3.3Å; D557-W559 PolarHBondContact OD1-N 2.92Å; W559-G561 VanDerWaalsContact C-N 3.34Å; W559-E562 PolarHBondContact O-N 3.43Å; W559-K563 HydrophobicContact CH2-CD 3.65Å; W559-K563 HydrophobicContact CZ3-CB 4.44Å; W559-K563 HydrophobicContact CZ3-CD 3.87Å; W559-K563 PolarHBondContact O-N 3.04Å; W559-K563 VanDerWaalsContact O-N 3.15Å; W559-P603 HydrophobicContact CE3-CB 3.68Å; W559-P603 HydrophobicContact CH2-CB 4.47Å; W559-P603 HydrophobicContact CZ3-CB 3.44Å; W559-P603 VanDerWaalsContact CZ3-CB 3.44Å; W559-Q604 HydrophobicContact CH2-CB 4.43Å; W559-Q604 HydrophobicContact CH2-CG 3.37Å; W559-Q604 HydrophobicContact CZ2-CG 4.14Å; W559-Q604 HydrophobicContact CZ3-CG 4.14Å |
| 560 | L | 71.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.5 | -82.1 | 167.5 | 0 | 0 | 0 | 110.4 | F555 D557 R558 E562 K563 F564 P603 K606 | F555-L560 VanDerWaalsContact O-CD1 3.25Å; F555-L560 WeakPolarHBondContact O-CD1 3.31Å; D557-L560 HydrophobicContact CB-CD1 4.37Å; D557-L560 WeakPolarHBondContact O-CB 3.49Å; D557-L560 PolarHBondContact O-N 2.81Å; D557-L560 VanDerWaalsContact O-N 3.07Å; R558-L560 PolarHBondContact O-N 2.62Å; L560-E562 PolarHBondContact O-N 3.35Å; L560-K563 WeakPolarHBondContact O-CB 3.4Å; L560-K563 PolarHBondContact O-N 2.9Å; L560-K563 VanDerWaalsContact O-N 3.15Å; L560-F564 HydrophobicContact CB-CD2 4.38Å; L560-F564 HydrophobicContact CB-CE2 4.1Å; L560-F564 WeakPolarHBondContact O-CD2 3.48Å; L560-F564 PolarHBondContact O-N 3.03Å; L560-P603 HydrophobicContact CD1-CB 4.29Å; L560-P603 HydrophobicContact CD2-CB 3.64Å; L560-P603 VanDerWaalsContact CD2-O 3.3Å; L560-P603 WeakPolarHBondContact CD2-O 3.34Å; L560-P603 HydrophobicContact CG-CB 3.9Å; L560-K606 HydrophobicContact CD1-CD 4.34Å |
| 561 | G | 74 | Confident | 78.6 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.9 | -47.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F541 D557 R558 W559 K563 F564 R565 | F541-G561 VanDerWaalsContact CD1-CA 3.49Å; F541-G561 VanDerWaalsContact CE1-CA 3.49Å; D557-G561 PolarHBondContact O-N 3.18Å; D557-G561 VanDerWaalsContact O-N 3.15Å; R558-G561 PolarHBondContact O-N 3.25Å; W559-G561 VanDerWaalsContact C-N 3.34Å; G561-K563 VanDerWaalsContact C-N 3.35Å; G561-K563 PolarHBondContact O-N 2.8Å; G561-F564 PolarHBondContact O-N 3.4Å; G561-R565 PolarHBondContact O-N 2.87Å; G561-R565 VanDerWaalsContact O-N 3.08Å |
| 562 | E | 73.6 | Confident | 78.3 | Confident | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -40.7 | 176.2 | -72.1 | -174.3 | 168.7 | 0 | 0 | 112.1 | F541 R558 W559 L560 R565 M566 | F541-E562 HydrophobicContact CZ-CG 4.3Å; R558-E562 PolarHBondContact O-N 2.75Å; W559-E562 PolarHBondContact O-N 3.43Å; L560-E562 PolarHBondContact O-N 3.35Å; E562-R565 PolarHBondContact O-N 2.95Å; E562-M566 WeakPolarHBondContact O-CG 3.29Å; E562-M566 PolarHBondContact O-N 2.98Å |
| 563 | K | 74.3 | Confident | 78.1 | Confident | 46 Ų | 46 | 69 Ų | 69 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176 | -171.8 | 180 | 178.3 | -173.2 | 0 | 111.6 | W559 L560 G561 R565 M566 L567 Q604 | W559-K563 HydrophobicContact CH2-CD 3.65Å; W559-K563 HydrophobicContact CZ3-CB 4.44Å; W559-K563 HydrophobicContact CZ3-CD 3.87Å; W559-K563 PolarHBondContact O-N 3.04Å; W559-K563 VanDerWaalsContact O-N 3.15Å; L560-K563 WeakPolarHBondContact O-CB 3.4Å; L560-K563 PolarHBondContact O-N 2.9Å; L560-K563 VanDerWaalsContact O-N 3.15Å; G561-K563 VanDerWaalsContact C-N 3.35Å; G561-K563 PolarHBondContact O-N 2.8Å; K563-R565 VanDerWaalsContact C-N 3.31Å; K563-R565 PolarHBondContact O-N 2.82Å; K563-M566 PolarHBondContact O-N 2.86Å; K563-L567 WeakPolarHBondContact O-CG 3.47Å; K563-L567 PolarHBondContact O-N 3.18Å; K563-L567 VanDerWaalsContact O-N 3.12Å; K563-Q604 PolarHBondContact NZ-O 3.03Å |
| 564 | F | 74.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.2 | -50.1 | 175.6 | -79.4 | -68.5 | 0 | 0 | 0 | 110.9 | G540 M542 F555 L560 G561 M566 L567 W568 V607 | G540-F564 WeakPolarHBondContact O-CB 3.3Å; M542-F564 HydrophobicContact CB-CD1 4.36Å; M542-F564 HydrophobicContact CB-CD2 3.96Å; M542-F564 HydrophobicContact CB-CE1 4.45Å; M542-F564 HydrophobicContact CB-CE2 4.1Å; M542-F564 HydrophobicContact CB-CG 4.13Å; M542-F564 HydrophobicContact CB-CZ 4.34Å; M542-F564 HydrophobicContact CE-CD1 4.26Å; M542-F564 HydrophobicContact CE-CE1 3.39Å; M542-F564 HydrophobicContact CE-CE2 4.03Å; M542-F564 HydrophobicContact CE-CZ 3.27Å; M542-F564 HydrophobicContact SD-CD1 4.3Å; M542-F564 HydrophobicContact SD-CE1 3.94Å; M542-F564 HydrophobicContact SD-CZ 4.31Å; F555-F564 HydrophobicContact CE1-CE2 4.08Å; F555-F564 HydrophobicContact CE1-CZ 4.09Å; F555-F564 HydrophobicContact CZ-CE2 4.06Å; F555-F564 AromaticContact CZ-CZ 3.69Å; F555-F564 HydrophobicContact CZ-CZ 3.69Å; L560-F564 HydrophobicContact CB-CD2 4.38Å; L560-F564 HydrophobicContact CB-CE2 4.1Å; L560-F564 WeakPolarHBondContact O-CD2 3.48Å; L560-F564 PolarHBondContact O-N 3.03Å; G561-F564 PolarHBondContact O-N 3.4Å; F564-M566 VanDerWaalsContact C-N 3.28Å; F564-M566 PolarHBondContact O-N 2.79Å; F564-L567 WeakPolarHBondContact O-CB 3.33Å; F564-L567 PolarHBondContact O-N 3.31Å; F564-W568 PolarHBondContact O-N 2.83Å; F564-V607 HydrophobicContact CD1-CG1 3.89Å; F564-V607 HydrophobicContact CD1-CG2 4.04Å; F564-V607 HydrophobicContact CE1-CB 3.92Å; F564-V607 HydrophobicContact CE1-CG1 3.46Å; F564-V607 VanDerWaalsContact CE1-CG1 3.46Å; F564-V607 HydrophobicContact CE1-CG2 3.15Å; F564-V607 HydrophobicContact CE2-CG2 4.01Å; F564-V607 HydrophobicContact CZ-CB 4.32Å; F564-V607 HydrophobicContact CZ-CG1 4.33Å; F564-V607 HydrophobicContact CZ-CG2 3.1Å |
| 565 | R | 74.2 | Confident | 78.5 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57 | -40.5 | 178.5 | 178.8 | 168.4 | 176 | 171.6 | -0.6 | 112.7 | F541 G561 E562 K563 L567 W568 | F541-R565 HydrophobicContact CD2-CB 4.27Å; F541-R565 HydrophobicContact CE2-CB 4.18Å; F541-R565 VanDerWaalsContact CE2-CD 3.49Å; F541-R565 HydrophobicContact CE2-CG 4.47Å; G561-R565 PolarHBondContact O-N 2.87Å; G561-R565 VanDerWaalsContact O-N 3.08Å; E562-R565 PolarHBondContact O-N 2.95Å; K563-R565 VanDerWaalsContact C-N 3.31Å; K563-R565 PolarHBondContact O-N 2.82Å; R565-L567 VanDerWaalsContact C-N 3.31Å; R565-L567 PolarHBondContact O-N 2.83Å; R565-W568 PolarHBondContact O-N 2.96Å |
| 566 | M | 77.2 | Confident | 79 | Confident | 147 Ų | 147 | 60.4 Ų | 60.4 | 72% | 0.724 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.3 | -24.3 | 177.7 | -71.1 | -169.8 | -73.6 | 0 | 0 | 114 | E562 K563 F564 | E562-M566 WeakPolarHBondContact O-CG 3.29Å; E562-M566 PolarHBondContact O-N 2.98Å; K563-M566 PolarHBondContact O-N 2.86Å; F564-M566 VanDerWaalsContact C-N 3.28Å; F564-M566 PolarHBondContact O-N 2.79Å |
| 567 | L | 78.5 | Confident | 79.5 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.4 | -29 | 177.5 | -70.2 | 172.5 | 0 | 0 | 0 | 112 | K563 F564 R565 R569 Q592 L594 V607 | K563-L567 WeakPolarHBondContact O-CG 3.47Å; K563-L567 PolarHBondContact O-N 3.18Å; K563-L567 VanDerWaalsContact O-N 3.12Å; F564-L567 WeakPolarHBondContact O-CB 3.33Å; F564-L567 PolarHBondContact O-N 3.31Å; R565-L567 VanDerWaalsContact C-N 3.31Å; R565-L567 PolarHBondContact O-N 2.83Å; L567-R569 PolarHBondContact O-N 2.98Å; L567-Q592 PolarHBondContact O-NE2 2.71Å; L567-L594 HydrophobicContact CB-CD1 4.28Å; L567-L594 HydrophobicContact CB-CD2 4.28Å; L567-L594 HydrophobicContact CD1-CD2 4.49Å; L567-V607 HydrophobicContact CD1-CB 4.34Å; L567-V607 HydrophobicContact CD1-CG1 3.68Å |
| 568 | W | 77.2 | Confident | 80.3 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 10% | 0.095 | 24% | 0.24 | C | C | . | . | trans | -75.3 | 118.6 | 178.5 | -68.4 | 106.2 | 0 | 0 | 0 | 111.9 | L536 G540 F564 R565 P572 A587 Y588 Q592 L594 | L536-W568 HydrophobicContact CD1-CZ2 4.43Å; G540-W568 PolarHBondContact O-NE1 3.01Å; F564-W568 PolarHBondContact O-N 2.83Å; R565-W568 PolarHBondContact O-N 2.96Å; W568-P572 HydrophobicContact CD2-CB 4.32Å; W568-P572 HydrophobicContact CE3-CB 4.45Å; W568-P572 HydrophobicContact CH2-CB 4.22Å; W568-P572 HydrophobicContact CZ2-CB 4.06Å; W568-P572 HydrophobicContact CZ3-CB 4.42Å; W568-A587 HydrophobicContact CH2-CB 4.28Å; W568-A587 HydrophobicContact CZ2-CB 3.85Å; W568-Y588 VanDerWaalsContact CH2-C 3.46Å; W568-Q592 HydrophobicContact CE3-CB 4.36Å; W568-Q592 HydrophobicContact CZ3-CB 4.11Å; W568-L594 HydrophobicContact CD2-CD1 4.29Å; W568-L594 HydrophobicContact CH2-CD1 4.31Å; W568-L594 HydrophobicContact CZ2-CD1 3.71Å; W568-L594 HydrophobicContact CZ2-CG 4.35Å | ||
| 569 | R | 73 | Confident | 81.2 | Confident | 223 Ų | 223 | 49.9 Ų | 49.9 | 84% | 0.842 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -103.5 | -19.7 | 167.5 | -62.1 | -176.4 | -178.7 | -176.8 | -1.4 | 111.8 | L567 | L567-R569 PolarHBondContact O-N 2.98Š|
| 570 | S | 74.9 | Confident | 82.2 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -121.4 | 169.1 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | G591 Q592 | S570-G591 PolarHBondContact OG-N 2.88Å; S570-G591 VanDerWaalsContact OG-N 3.14Å; S570-Q592 VanDerWaalsContact N-OE1 3.14Å; S570-Q592 PolarHBondContact OG-OE1 2.87Å |
| 571 | Q | 80.5 | Confident | 83 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | trans | -60.6 | 127.5 | 175.9 | -174.6 | 167.8 | -38.9 | 0 | 0 | 111.8 | C49 Q50 G589 G590 | C49-Q571 VanDerWaalsContact C-NE2 3.34Å; C49-Q571 VanDerWaalsContact O-CD 3.31Å; C49-Q571 PolarHBondContact O-NE2 2.6Å; C49-Q571 PolarHBondContact O-OE1 2.82Å; Q50-Q571 HydrophobicContact CG-CG 4.47Å; Q571-G589 VanDerWaalsContact O-CA 3.23Å; Q571-G589 WeakPolarHBondContact O-CA 3.27Å; Q571-G590 PolarHBondContact O-N 3.29Å | ||
| 572 | P | 87.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 139.5 | 169.4 | 25.8 | -31.6 | 0 | 0 | 0 | 109.7 | Q50 V522 L536 Y537 W568 | Q50-P572 PolarHBondContact NE2-O 3.49Å; V522-P572 HydrophobicContact CG2-CG 4.49Å; L536-P572 HydrophobicContact CD1-CB 4.06Å; L536-P572 HydrophobicContact CD2-CB 3.82Å; L536-P572 HydrophobicContact CG-CB 4.06Å; Y537-P572 WeakPolarHBondContact O-CG 3.47Å; W568-P572 HydrophobicContact CD2-CB 4.32Å; W568-P572 HydrophobicContact CE3-CB 4.45Å; W568-P572 HydrophobicContact CH2-CB 4.22Å; W568-P572 HydrophobicContact CZ2-CB 4.06Å; W568-P572 HydrophobicContact CZ3-CB 4.42Å |
| 573 | L | 89 | Confident | 84.3 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -36.7 | -179 | -67.5 | 177.7 | 0 | 0 | 0 | 113 | P319 V522 Y588 F617 | P319-L573 HydrophobicContact CG-CB 4.08Å; V522-L573 WeakPolarHBondContact CG1-O 3.45Å; L573-Y588 HydrophobicContact CB-CD2 4.2Å; L573-Y588 HydrophobicContact CB-CE2 4.17Å; L573-Y588 PolarHBondContact N-O 3.18Å; L573-F617 HydrophobicContact CD1-CD1 4Å; L573-F617 HydrophobicContact CD1-CE1 4.2Å |
| 574 | G | 92.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | D523 L536 A587 Y588 | D523-G574 WeakPolarHBondContact OD2-CA 3.33Å; L536-G574 WeakPolarHBondContact CD2-O 3.33Å; G574-A587 WeakPolarHBondContact O-CA 3.35Å; G574-Y588 PolarHBondContact N-O 2.9Å; G574-Y588 WeakPolarHBondContact O-CD1 3.37Å; G574-Y588 PolarHBondContact O-N 2.81Å |
| 575 | L | 93.5 | Very high | 86.1 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.1 | -179.2 | -69.6 | 165.4 | 0 | 0 | 0 | 110.3 | D523 A525 M534 L536 M542 I586 A587 I596 | D523-L575 HydrophobicContact CB-CD1 4.46Å; D523-L575 HydrophobicContact CB-CG 4.46Å; D523-L575 PolarHBondContact OD2-N 3.12Å; A525-L575 HydrophobicContact CB-CB 4.2Å; M534-L575 HydrophobicContact CB-CD1 4.27Å; L536-L575 HydrophobicContact CB-CD1 3.34Å; L536-L575 HydrophobicContact CB-CD2 4.07Å; L536-L575 HydrophobicContact CB-CG 3.58Å; L536-L575 HydrophobicContact CD2-CD2 4.23Å; L536-L575 HydrophobicContact CD2-CG 3.91Å; L536-L575 HydrophobicContact CG-CG 4.38Å; M542-L575 HydrophobicContact CG-CD2 4.27Å; M542-L575 HydrophobicContact SD-CD2 3.65Å; L575-I586 WeakPolarHBondContact CA-O 3.43Å; L575-A587 HydrophobicContact CD2-CB 3.63Å; L575-I596 HydrophobicContact CD2-CD1 4.13Å |
| 576 | A | 94.3 | Very high | 87 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 135.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G585 I586 A619 F621 | A576-G585 CarbonylContact O-C 3.54Å; A576-G585 WeakPolarHBondContact O-CA 3.43Å; A576-I586 HydrophobicContact CB-CD1 4.16Å; A576-I586 HydrophobicContact CB-CG1 3.82Å; A576-I586 PolarHBondContact N-O 2.82Å; A576-I586 PolarHBondContact O-N 2.82Å; A576-A619 WeakPolarHBondContact CB-O 3.35Å; A576-F621 HydrophobicContact CB-CD2 3.89Å; A576-F621 HydrophobicContact CB-CE2 4.17Å; A576-F621 WeakPolarHBondContact O-CE2 3.2Å |
| 577 | M | 94.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.4 | 178 | -63.1 | -53.3 | -64.8 | 0 | 0 | 109.6 | W487 A525 F526 M534 F584 I596 F621 | W487-M577 WeakPolarHBondContact CZ2-O 3.36Å; A525-M577 HydrophobicContact CB-CG 3.92Å; F526-M577 VanDerWaalsContact O-CB 3.3Å; F526-M577 WeakPolarHBondContact O-CB 3.43Å; M534-M577 HydrophobicContact CB-CG 4.3Å; M534-M577 HydrophobicContact CB-SD 4.34Å; M534-M577 HydrophobicContact CG-CE 3.95Å; M534-M577 HydrophobicContact CG-CG 3.87Å; M534-M577 HydrophobicContact CG-SD 3.7Å; M577-F584 WeakPolarHBondContact CE-O 3.45Å; M577-I596 HydrophobicContact SD-CD1 4.49Å; M577-F621 WeakPolarHBondContact O-CD2 3.38Å |
| 578 | S | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -76 | 136.1 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | S528 S580 D581 F584 | S528-S578 WeakPolarHBondContact CB-O 3.49Å; S528-S578 PolarHBondContact OG-O 3.3Å; S578-S580 PolarHBondContact OG-N 2.83Å; S578-S580 PolarHBondContact OG-OG 2.92Å; S578-S580 VanDerWaalsContact OG-OG 3.05Å; S578-D581 PolarHBondContact OG-N 2.83Å; S578-D581 PolarHBondContact OG-OD2 2.87Å; S578-F584 PolarHBondContact N-O 3.25Å | ||
| 579 | R | 90.1 | Very high | 88.7 | Confident | 92 Ų | 92 | 31 Ų | 31 | 35% | 0.347 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -74.3 | -39.6 | 170.4 | -172.6 | -177.2 | -178.4 | 166.8 | -1.3 | 111.2 | D327 W487 S528 | D327-R579 IonicContact OD1-NH1 2.6Å; W487-R579 HydrophobicContact CB-CG 4.16Å; W487-R579 HydrophobicContact CD2-CB 3.69Å; W487-R579 HydrophobicContact CD2-CG 3.73Å; W487-R579 HydrophobicContact CE3-CB 3.86Å; W487-R579 HydrophobicContact CE3-CG 3.82Å; W487-R579 HydrophobicContact CG-CB 4.2Å; W487-R579 HydrophobicContact CG-CG 3.9Å; W487-R579 HydrophobicContact CH2-CB 4.11Å; W487-R579 HydrophobicContact CZ2-CB 3.99Å; W487-R579 HydrophobicContact CZ3-CB 4.05Å; W487-R579 HydrophobicContact CZ3-CG 4.42Å; S528-R579 WeakPolarHBondContact CB-O 3.49Å |
| 580 | S | 87.8 | Confident | 88.7 | Confident | 58 Ų | 58 | 21.9 Ų | 21.9 | 41% | 0.406 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -81.8 | -39.7 | -173.7 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | S578 G625 | S578-S580 PolarHBondContact OG-N 2.83Å; S578-S580 PolarHBondContact OG-OG 2.92Å; S578-S580 VanDerWaalsContact OG-OG 3.05Å; S580-G625 WeakPolarHBondContact OG-CA 3.27Å |
| 581 | D | 88.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 21.7 Ų | 21.7 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -99 | 110.4 | -175 | -64.3 | -68.7 | 0 | 0 | 0 | 110.5 | S528 S578 G583 F584 | S528-D581 PolarHBondContact OG-O 2.95Å; S578-D581 PolarHBondContact OG-N 2.83Å; S578-D581 PolarHBondContact OG-OD2 2.87Å; D581-G583 PolarHBondContact O-N 2.95Å; D581-G583 VanDerWaalsContact O-N 3.09Å; D581-F584 HydrophobicContact CB-CB 3.67Å; D581-F584 HydrophobicContact CB-CD1 4.37Å; D581-F584 HydrophobicContact CB-CG 4.39Å; D581-F584 PolarHBondContact O-N 3.42Å; D581-F584 VanDerWaalsContact O-N 3.15Å |
| 582 | V | 88.8 | Confident | 89 | Confident | 96 Ų | 96 | 20.3 Ų | 20.3 | 58% | 0.582 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 116.6 | -176.2 | -179 | 0 | 0 | 0 | 0 | 111 | S528 V529 F584 | S528-V582 WeakPolarHBondContact OG-CA 3.31Å; V529-V582 HydrophobicContact CG2-CG1 3.87Å; V582-F584 PolarHBondContact O-N 3.42Å |
| 583 | G | 86.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 14.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S528 D581 K598 | S528-G583 PolarHBondContact OG-N 3.02Å; D581-G583 PolarHBondContact O-N 2.95Å; D581-G583 VanDerWaalsContact O-N 3.09Å; G583-K598 VanDerWaalsContact O-CB 3.3Å; G583-K598 WeakPolarHBondContact O-CB 3.23Å; G583-K598 VanDerWaalsContact O-CG 3.27Å; G583-K598 WeakPolarHBondContact O-CG 3.41Å; G583-K598 PolarHBondContact O-N 3.18Å |
| 584 | F | 92.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 19 Ų | 19 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 144.6 | 170.5 | -177.2 | -110.4 | 0 | 0 | 0 | 111.3 | M1 F4 M577 S578 D581 V582 I596 D597 F621 | M1-F584 HydrophobicContact CE-CD2 3.58Å; M1-F584 HydrophobicContact CE-CE2 3.39Å; M1-F584 HydrophobicContact CE-CZ 4.46Å; M1-F584 HydrophobicContact SD-CD2 4.3Å; M1-F584 HydrophobicContact SD-CE2 3.85Å; M1-F584 HydrophobicContact SD-CZ 4.42Å; F4-F584 HydrophobicContact CE1-CD1 4.49Å; F4-F584 AromaticContact CE1-CE1 3.54Å; F4-F584 HydrophobicContact CE1-CE1 3.54Å; F4-F584 AromaticContact CE1-CZ 3.82Å; F4-F584 HydrophobicContact CE1-CZ 3.82Å; F4-F584 AromaticContact CZ-CE1 3.61Å; F4-F584 HydrophobicContact CZ-CE1 3.61Å; F4-F584 AromaticContact CZ-CZ 3.79Å; F4-F584 HydrophobicContact CZ-CZ 3.79Å; M577-F584 WeakPolarHBondContact CE-O 3.45Å; S578-F584 PolarHBondContact N-O 3.25Å; D581-F584 HydrophobicContact CB-CB 3.67Å; D581-F584 HydrophobicContact CB-CD1 4.37Å; D581-F584 HydrophobicContact CB-CG 4.39Å; D581-F584 PolarHBondContact O-N 3.42Å; D581-F584 VanDerWaalsContact O-N 3.15Å; V582-F584 PolarHBondContact O-N 3.42Å; F584-I596 CarbonylContact C-O 3.57Å; F584-I596 WeakPolarHBondContact CA-O 3.27Å; F584-I596 WeakPolarHBondContact CD2-O 3.08Å; F584-D597 HydrophobicContact CD2-CB 4.29Å; F584-F621 HydrophobicContact CD1-CE1 4.09Å; F584-F621 AromaticContact CD1-CZ 3.8Å; F584-F621 HydrophobicContact CD1-CZ 3.8Å; F584-F621 AromaticContact CE1-CE1 3.83Å; F584-F621 HydrophobicContact CE1-CE1 3.83Å; F584-F621 AromaticContact CE1-CZ 3.54Å; F584-F621 HydrophobicContact CE1-CZ 3.54Å |
| 585 | G | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | -173.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A576 I596 | A576-G585 CarbonylContact O-C 3.54Å; A576-G585 WeakPolarHBondContact O-CA 3.43Å; G585-I596 PolarHBondContact N-O 3.3Å; G585-I596 PolarHBondContact O-N 2.78Å |
| 586 | I | 93.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 148.3 | 178.5 | 55.4 | 169.1 | 0 | 0 | 0 | 110.6 | L575 A576 L593 L594 A619 F621 L627 L629 | L575-I586 WeakPolarHBondContact CA-O 3.43Å; A576-I586 HydrophobicContact CB-CD1 4.16Å; A576-I586 HydrophobicContact CB-CG1 3.82Å; A576-I586 PolarHBondContact N-O 2.82Å; A576-I586 PolarHBondContact O-N 2.82Å; I586-L593 HydrophobicContact CB-CD1 4.04Å; I586-L593 HydrophobicContact CD1-CD1 4.15Å; I586-L593 HydrophobicContact CG2-CD1 4.4Å; I586-L594 CarbonylContact C-O 3.57Å; I586-L594 VanDerWaalsContact CA-O 3.22Å; I586-L594 WeakPolarHBondContact CA-O 3.26Å; I586-A619 HydrophobicContact CD1-CB 3.38Å; I586-A619 HydrophobicContact CG1-CB 4.48Å; I586-F621 HydrophobicContact CD1-CE2 4.45Å; I586-F621 HydrophobicContact CG1-CE2 3.92Å; I586-F621 HydrophobicContact CG1-CZ 4.38Å; I586-F621 HydrophobicContact CG2-CZ 4.3Å; I586-L627 HydrophobicContact CD1-CD1 3.3Å; I586-L627 HydrophobicContact CD1-CD2 3.97Å; I586-L627 HydrophobicContact CD1-CG 4.25Å; I586-L627 HydrophobicContact CG1-CD1 4.38Å; I586-L627 HydrophobicContact CG2-CD2 4.49Å; I586-L629 HydrophobicContact CD1-CD2 4.22Å |
| 587 | A | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | M542 W568 G574 L575 L594 I596 | M542-A587 HydrophobicContact SD-CB 4.06Å; W568-A587 HydrophobicContact CH2-CB 4.28Å; W568-A587 HydrophobicContact CZ2-CB 3.85Å; G574-A587 WeakPolarHBondContact O-CA 3.35Å; L575-A587 HydrophobicContact CD2-CB 3.63Å; A587-L594 HydrophobicContact CB-CB 4.38Å; A587-L594 PolarHBondContact N-O 2.95Å; A587-L594 PolarHBondContact O-N 3.05Å; A587-I596 HydrophobicContact CB-CD1 4.25Å |
| 588 | Y | 91.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.1 | -176.3 | 61.6 | -86.2 | 0 | 0 | 0 | 111.8 | P319 W568 L573 G574 Q592 A619 | P319-Y588 HydrophobicContact CB-CE2 4.35Å; P319-Y588 HydrophobicContact CG-CE2 4.28Å; W568-Y588 VanDerWaalsContact CH2-C 3.46Å; L573-Y588 HydrophobicContact CB-CD2 4.2Å; L573-Y588 HydrophobicContact CB-CE2 4.17Å; L573-Y588 PolarHBondContact N-O 3.18Å; G574-Y588 PolarHBondContact N-O 2.9Å; G574-Y588 WeakPolarHBondContact O-CD1 3.37Å; G574-Y588 PolarHBondContact O-N 2.81Å; Y588-Q592 WeakPolarHBondContact CA-O 3.31Å; Y588-A619 HydrophobicContact CD1-CB 3.53Å; Y588-A619 HydrophobicContact CE1-CB 3.54Å; Y588-A619 HydrophobicContact CG-CB 4.18Å |
| 589 | G | 85.1 | Confident | 88 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q571 G591 Q592 | Q571-G589 VanDerWaalsContact O-CA 3.23Å; Q571-G589 WeakPolarHBondContact O-CA 3.27Å; G589-G591 PolarHBondContact O-N 2.96Å; G589-Q592 PolarHBondContact N-O 3.15Å; G589-Q592 PolarHBondContact O-N 3.22Å; G589-Q592 VanDerWaalsContact O-N 3.1Å |
| 590 | G | 73.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 24 Ų | 24 | 32% | 0.32 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q571 R615 | Q571-G590 PolarHBondContact O-N 3.29Å; G590-R615 WeakPolarHBondContact O-CA 3.45Å; G590-R615 PolarHBondContact O-N 3.5Å |
| 591 | G | 76 | Confident | 87.4 | Confident | 32 Ų | 32 | 26 Ų | 26 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 16.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | S570 G589 | S570-G591 PolarHBondContact OG-N 2.88Å; S570-G591 VanDerWaalsContact OG-N 3.14Å; G589-G591 PolarHBondContact O-N 2.96Å |
| 592 | Q | 85 | Confident | 86.8 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 144.6 | -171.5 | -61.8 | 178.9 | -71 | 0 | 0 | 112.6 | L567 W568 S570 Y588 G589 | L567-Q592 PolarHBondContact O-NE2 2.71Å; W568-Q592 HydrophobicContact CE3-CB 4.36Å; W568-Q592 HydrophobicContact CZ3-CB 4.11Å; S570-Q592 VanDerWaalsContact N-OE1 3.14Å; S570-Q592 PolarHBondContact OG-OE1 2.87Å; Y588-Q592 WeakPolarHBondContact CA-O 3.31Å; G589-Q592 PolarHBondContact N-O 3.15Å; G589-Q592 PolarHBondContact O-N 3.22Å; G589-Q592 VanDerWaalsContact O-N 3.1Å |
| 593 | L | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.9 | 166.6 | -174 | 65.6 | 0 | 0 | 0 | 108.9 | I586 I610 W613 L616 L629 | I586-L593 HydrophobicContact CB-CD1 4.04Å; I586-L593 HydrophobicContact CD1-CD1 4.15Å; I586-L593 HydrophobicContact CG2-CD1 4.4Å; L593-I610 HydrophobicContact CB-CB 4.16Å; L593-I610 HydrophobicContact CD2-CB 4.12Å; L593-I610 HydrophobicContact CD2-CD1 3.92Å; L593-I610 HydrophobicContact CD2-CG2 4.08Å; L593-I610 HydrophobicContact CG-CB 4.25Å; L593-I610 HydrophobicContact CG-CD1 4.22Å; L593-I610 PolarHBondContact O-N 3.01Å; L593-W613 HydrophobicContact CD2-CE3 3.6Å; L593-W613 HydrophobicContact CD2-CZ3 4.07Å; L593-L616 HydrophobicContact CB-CD1 3.74Å; L593-L616 HydrophobicContact CD1-CD1 3.82Å; L593-L616 HydrophobicContact CD2-CD1 4.08Å; L593-L616 HydrophobicContact CG-CD1 4.09Å; L593-L629 HydrophobicContact CD2-CD1 4.22Å |
| 594 | L | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | 174.3 | -54.1 | -179.6 | 0 | 0 | 0 | 108.1 | L567 W568 I586 A587 V607 K608 K609 | L567-L594 HydrophobicContact CB-CD1 4.28Å; L567-L594 HydrophobicContact CB-CD2 4.28Å; L567-L594 HydrophobicContact CD1-CD2 4.49Å; W568-L594 HydrophobicContact CD2-CD1 4.29Å; W568-L594 HydrophobicContact CH2-CD1 4.31Å; W568-L594 HydrophobicContact CZ2-CD1 3.71Å; W568-L594 HydrophobicContact CZ2-CG 4.35Å; I586-L594 CarbonylContact C-O 3.57Å; I586-L594 VanDerWaalsContact CA-O 3.22Å; I586-L594 WeakPolarHBondContact CA-O 3.26Å; A587-L594 HydrophobicContact CB-CB 4.38Å; A587-L594 PolarHBondContact N-O 2.95Å; A587-L594 PolarHBondContact O-N 3.05Å; L594-V607 HydrophobicContact CB-CG1 4.36Å; L594-K608 CarbonylContact C-O 3.43Å; L594-K608 VanDerWaalsContact CA-O 3.32Å; L594-K608 WeakPolarHBondContact CA-O 3.27Å; L594-K609 HydrophobicContact CD2-CB 3.92Å; L594-K609 HydrophobicContact CD2-CG 4Å |
| 595 | S | 91 | Very high | 85 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 145.9 | 164.9 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | V607 K608 | S595-V607 VanDerWaalsContact O-CA 3.31Å; S595-V607 WeakPolarHBondContact O-CA 3.44Å; S595-K608 PolarHBondContact N-O 2.94Å; S595-K608 PolarHBondContact O-N 2.82Å; S595-K608 VanDerWaalsContact O-N 3.11Å; S595-K608 PolarHBondContact OG-O 3.11Å |
| 596 | I | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.4 | 177.3 | -53.8 | 162.4 | 0 | 0 | 0 | 106.2 | M534 M542 F555 L575 M577 F584 G585 A587 K606 | M534-I596 HydrophobicContact CE-CD1 4.44Å; M542-I596 HydrophobicContact CE-CD1 3.26Å; M542-I596 HydrophobicContact CE-CG1 3.71Å; M542-I596 HydrophobicContact CE-CG2 4.25Å; M542-I596 HydrophobicContact SD-CD1 3.74Å; M542-I596 HydrophobicContact SD-CG1 4.48Å; F555-I596 HydrophobicContact CE2-CG2 4.03Å; F555-I596 HydrophobicContact CZ-CG2 3.77Å; L575-I596 HydrophobicContact CD2-CD1 4.13Å; M577-I596 HydrophobicContact SD-CD1 4.49Å; F584-I596 CarbonylContact C-O 3.57Å; F584-I596 WeakPolarHBondContact CA-O 3.27Å; F584-I596 WeakPolarHBondContact CD2-O 3.08Å; G585-I596 PolarHBondContact N-O 3.3Å; G585-I596 PolarHBondContact O-N 2.78Å; A587-I596 HydrophobicContact CB-CD1 4.25Å; I596-K606 CarbonylContact C-O 3.58Å; I596-K606 WeakPolarHBondContact CA-O 3.14Å |
| 597 | D | 90 | Very high | 84.2 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 96.3 | 175.2 | -177.4 | -2.7 | 0 | 0 | 0 | 109.1 | M1 F584 T599 Q600 K606 | M1-D597 HydrophobicContact CE-CB 3.48Å; M1-D597 VanDerWaalsContact CE-CB 3.48Å; M1-D597 VanDerWaalsContact CE-CG 3.48Å; M1-D597 WeakPolarHBondContact CE-OD2 3.39Å; F584-D597 HydrophobicContact CD2-CB 4.29Å; D597-T599 PolarHBondContact O-N 3.38Å; D597-T599 WeakPolarHBondContact OD1-CB 3.26Å; D597-T599 PolarHBondContact OD1-N 2.88Å; D597-T599 PolarHBondContact OD1-OG1 2.88Å; D597-T599 PolarHBondContact OD2-OG1 3.43Å; D597-Q600 HydrophobicContact CB-CG 3.86Å; D597-Q600 PolarHBondContact O-N 2.65Å; D597-Q600 WeakPolarHBondContact OD2-CG 3.4Å; D597-Q600 PolarHBondContact OD2-NE2 2.84Å; D597-K606 PolarHBondContact N-O 2.79Å; D597-K606 WeakPolarHBondContact O-CA 3.44Å; D597-K606 WeakPolarHBondContact O-CG 3.38Å |
| 598 | K | 87 | Confident | 83.9 | Confident | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | 180 | -69.1 | 173.3 | 56.4 | -172.2 | 0 | 112.7 | D532 E544 F555 G583 Q600 | D532-K598 IonicContact OD2-NZ 3.21Å; D532-K598 PolarHBondContact OD2-NZ 2.8Å; E544-K598 WeakPolarHBondContact OE1-CD 3.4Å; E544-K598 WeakPolarHBondContact OE1-CE 3.29Å; E544-K598 IonicContact OE1-NZ 3.13Å; E544-K598 PolarHBondContact OE1-NZ 3.14Å; E544-K598 VanDerWaalsContact OE2-CE 3.25Å; E544-K598 WeakPolarHBondContact OE2-CE 3.39Å; E544-K598 IonicContact OE2-NZ 2.93Å; E544-K598 PolarHBondContact OE2-NZ 3.02Å; E544-K598 VanDerWaalsContact OE2-NZ 3.13Å; F555-K598 HydrophobicContact CD2-CG 3.79Å; F555-K598 HydrophobicContact CE2-CG 3.87Å; G583-K598 VanDerWaalsContact O-CB 3.3Å; G583-K598 WeakPolarHBondContact O-CB 3.23Å; G583-K598 VanDerWaalsContact O-CG 3.27Å; G583-K598 WeakPolarHBondContact O-CG 3.41Å; G583-K598 PolarHBondContact O-N 3.18Å; K598-Q600 VanDerWaalsContact C-N 3.28Å; K598-Q600 PolarHBondContact O-N 3.3Å |
| 599 | T | 85.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 45.4 Ų | 45.4 | 61% | 0.607 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.7 | -177.8 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | D597 A601 | D597-T599 PolarHBondContact O-N 3.38Å; D597-T599 WeakPolarHBondContact OD1-CB 3.26Å; D597-T599 PolarHBondContact OD1-N 2.88Å; D597-T599 PolarHBondContact OD1-OG1 2.88Å; D597-T599 PolarHBondContact OD2-OG1 3.43Å; T599-A601 PolarHBondContact O-N 3.17Å |
| 600 | Q | 86.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | trans | -69.8 | 129.9 | -179.5 | -63.2 | -66.3 | -39 | 0 | 0 | 111.5 | D597 K598 T602 K605 K606 | D597-Q600 HydrophobicContact CB-CG 3.86Å; D597-Q600 PolarHBondContact O-N 2.65Å; D597-Q600 WeakPolarHBondContact OD2-CG 3.4Å; D597-Q600 PolarHBondContact OD2-NE2 2.84Å; K598-Q600 VanDerWaalsContact C-N 3.28Å; K598-Q600 PolarHBondContact O-N 3.3Å; Q600-T602 VanDerWaalsContact C-N 3.31Å; Q600-T602 PolarHBondContact O-N 3.18Å; Q600-K605 HydrophobicContact CB-CB 3.86Å; Q600-K605 HydrophobicContact CG-CB 4.11Å; Q600-K606 HydrophobicContact CB-CG 3.96Å; Q600-K606 WeakPolarHBondContact O-CE 3.31Å; Q600-K606 WeakPolarHBondContact O-CG 3.46Å | ||
| 601 | A | 79.1 | Confident | 83.8 | Confident | 101 Ų | 101 | 50.9 Ų | 50.9 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -62.5 | -34 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | T599 | T599-A601 PolarHBondContact O-N 3.17Š|
| 602 | T | 76.9 | Confident | 84 | Confident | 52 Ų | 52 | 54 Ų | 54 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -104.3 | 134.4 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | Q600 Q604 K605 K606 | Q600-T602 VanDerWaalsContact C-N 3.31Å; Q600-T602 PolarHBondContact O-N 3.18Å; T602-Q604 PolarHBondContact O-N 2.84Å; T602-K605 PolarHBondContact O-N 2.88Å; T602-K605 WeakPolarHBondContact OG1-CD 3.49Å; T602-K605 WeakPolarHBondContact OG1-CG 3.5Å; T602-K606 PolarHBondContact O-N 2.97Å |
| 603 | P | 72.7 | Confident | 83.8 | Confident | 44 Ų | 44 | 56 Ų | 56 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -33.6 | 173.6 | -32.4 | 38 | 0 | 0 | 0 | 113.4 | W559 L560 K605 K606 | W559-P603 HydrophobicContact CE3-CB 3.68Å; W559-P603 HydrophobicContact CH2-CB 4.47Å; W559-P603 HydrophobicContact CZ3-CB 3.44Å; W559-P603 VanDerWaalsContact CZ3-CB 3.44Å; L560-P603 HydrophobicContact CD1-CB 4.29Å; L560-P603 HydrophobicContact CD2-CB 3.64Å; L560-P603 VanDerWaalsContact CD2-O 3.3Å; L560-P603 WeakPolarHBondContact CD2-O 3.34Å; L560-P603 HydrophobicContact CG-CB 3.9Å; P603-K605 VanDerWaalsContact C-N 3.33Å; P603-K605 PolarHBondContact O-N 3.36Å; P603-K606 PolarHBondContact O-N 2.93Å |
| 604 | Q | 74.1 | Confident | 83.1 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -33.7 | -179.3 | -63.9 | 143.8 | -4.2 | 0 | 0 | 113.5 | W559 K563 T602 | W559-Q604 HydrophobicContact CH2-CB 4.43Å; W559-Q604 HydrophobicContact CH2-CG 3.37Å; W559-Q604 HydrophobicContact CZ2-CG 4.14Å; W559-Q604 HydrophobicContact CZ3-CG 4.14Å; K563-Q604 PolarHBondContact NZ-O 3.03Å; T602-Q604 PolarHBondContact O-N 2.84Å |
| 605 | K | 82.1 | Confident | 82.6 | Confident | 120 Ų | 120 | 63.9 Ų | 63.9 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19 | -179 | -71.2 | -178.1 | -177.6 | 179.3 | 0 | 112.7 | Q600 T602 P603 V607 | Q600-K605 HydrophobicContact CB-CB 3.86Å; Q600-K605 HydrophobicContact CG-CB 4.11Å; T602-K605 PolarHBondContact O-N 2.88Å; T602-K605 WeakPolarHBondContact OG1-CD 3.49Å; T602-K605 WeakPolarHBondContact OG1-CG 3.5Å; P603-K605 VanDerWaalsContact C-N 3.33Å; P603-K605 PolarHBondContact O-N 3.36Å; K605-V607 PolarHBondContact O-N 2.53Å; K605-V607 VanDerWaalsContact O-N 3.16Å |
| 606 | K | 85.2 | Confident | 82.4 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -59.4 | -23.2 | 177.9 | -68.1 | -172.6 | 179.2 | -176.3 | 0 | 113.4 | F555 L560 I596 D597 Q600 T602 P603 | F555-K606 HydrophobicContact CD2-CD 4.26Å; F555-K606 HydrophobicContact CE2-CD 4.28Å; L560-K606 HydrophobicContact CD1-CD 4.34Å; I596-K606 CarbonylContact C-O 3.58Å; I596-K606 WeakPolarHBondContact CA-O 3.14Å; D597-K606 PolarHBondContact N-O 2.79Å; D597-K606 WeakPolarHBondContact O-CA 3.44Å; D597-K606 WeakPolarHBondContact O-CG 3.38Å; Q600-K606 HydrophobicContact CB-CG 3.96Å; Q600-K606 WeakPolarHBondContact O-CE 3.31Å; Q600-K606 WeakPolarHBondContact O-CG 3.46Å; T602-K606 PolarHBondContact O-N 2.97Å; P603-K606 PolarHBondContact O-N 2.93Å |
| 607 | V | 84.6 | Confident | 82 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.2 | -177.1 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | F564 L567 L594 S595 K605 | F564-V607 HydrophobicContact CD1-CG1 3.89Å; F564-V607 HydrophobicContact CD1-CG2 4.04Å; F564-V607 HydrophobicContact CE1-CB 3.92Å; F564-V607 HydrophobicContact CE1-CG1 3.46Å; F564-V607 VanDerWaalsContact CE1-CG1 3.46Å; F564-V607 HydrophobicContact CE1-CG2 3.15Å; F564-V607 HydrophobicContact CE2-CG2 4.01Å; F564-V607 HydrophobicContact CZ-CB 4.32Å; F564-V607 HydrophobicContact CZ-CG1 4.33Å; F564-V607 HydrophobicContact CZ-CG2 3.1Å; L567-V607 HydrophobicContact CD1-CB 4.34Å; L567-V607 HydrophobicContact CD1-CG1 3.68Å; L594-V607 HydrophobicContact CB-CG1 4.36Å; S595-V607 VanDerWaalsContact O-CA 3.31Å; S595-V607 WeakPolarHBondContact O-CA 3.44Å; K605-V607 PolarHBondContact O-N 2.53Å; K605-V607 VanDerWaalsContact O-N 3.16Å |
| 608 | K | 86.2 | Confident | 82 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | 176.6 | -64.9 | -179.1 | -176.6 | 173.3 | 0 | 110.6 | L594 S595 | L594-K608 CarbonylContact C-O 3.43Å; L594-K608 VanDerWaalsContact CA-O 3.32Å; L594-K608 WeakPolarHBondContact CA-O 3.27Å; S595-K608 PolarHBondContact N-O 2.94Å; S595-K608 PolarHBondContact O-N 2.82Å; S595-K608 VanDerWaalsContact O-N 3.11Å; S595-K608 PolarHBondContact OG-O 3.11Å |
| 609 | K | 86.7 | Confident | 82.3 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.4 | 171.4 | -171.6 | -177.3 | 179.2 | -149.5 | 0 | 109.5 | L594 N611 | L594-K609 HydrophobicContact CD2-CB 3.92Å; L594-K609 HydrophobicContact CD2-CG 4Å; K609-N611 WeakPolarHBondContact CD-OD1 3.34Å; K609-N611 WeakPolarHBondContact CE-OD1 3.23Å; K609-N611 PolarHBondContact NZ-OD1 3.31Å |
| 610 | I | 85.6 | Confident | 82.7 | Confident | 31 Ų | 31 | 59.8 Ų | 59.8 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.7 | 171.4 | -59.8 | 175.8 | 0 | 0 | 0 | 106.4 | L593 Q612 W613 | L593-I610 HydrophobicContact CB-CB 4.16Å; L593-I610 HydrophobicContact CD2-CB 4.12Å; L593-I610 HydrophobicContact CD2-CD1 3.92Å; L593-I610 HydrophobicContact CD2-CG2 4.08Å; L593-I610 HydrophobicContact CG-CB 4.25Å; L593-I610 HydrophobicContact CG-CD1 4.22Å; L593-I610 PolarHBondContact O-N 3.01Å; I610-Q612 HydrophobicContact CG2-CB 4.3Å; I610-W613 HydrophobicContact CG2-CE3 3.59Å; I610-W613 HydrophobicContact CG2-CZ3 3.62Å |
| 611 | N | 77 | Confident | 83 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | trans | -96.6 | -5.4 | -175.1 | -70.2 | -40.4 | 0 | 0 | 0 | 112.9 | K609 W613 | K609-N611 WeakPolarHBondContact CD-OD1 3.34Å; K609-N611 WeakPolarHBondContact CE-OD1 3.23Å; K609-N611 PolarHBondContact NZ-OD1 3.31Å; N611-W613 VanDerWaalsContact C-N 3.33Å; N611-W613 PolarHBondContact O-N 3.18Å | ||
| 612 | Q | 80.1 | Confident | 83.7 | Confident | 98 Ų | 98 | 53 Ų | 53 | 46% | 0.458 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -69.9 | -30.7 | -173.7 | -71.4 | 81.5 | -12.7 | 0 | 0 | 112.7 | F356 I610 | F356-Q612 HydrophobicContact CD1-CB 4.4Å; F356-Q612 HydrophobicContact CD1-CG 3.72Å; F356-Q612 HydrophobicContact CE1-CB 4.48Å; F356-Q612 HydrophobicContact CE1-CG 3.81Å; F356-Q612 HydrophobicContact CG-CG 4.13Å; F356-Q612 HydrophobicContact CZ-CG 4.31Å; I610-Q612 HydrophobicContact CG2-CB 4.3Å |
| 613 | W | 79.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | trans | -123.8 | 133.1 | -176.9 | -54.8 | -70.8 | 0 | 0 | 0 | 110.9 | V6 F356 L593 I610 N611 L616 L629 | V6-W613 HydrophobicContact CB-CH2 4.2Å; V6-W613 HydrophobicContact CB-CZ2 4.12Å; V6-W613 HydrophobicContact CG1-CH2 4.06Å; V6-W613 HydrophobicContact CG1-CZ2 3.9Å; V6-W613 HydrophobicContact CG2-CH2 3.85Å; V6-W613 HydrophobicContact CG2-CZ2 4.27Å; F356-W613 AromaticContact CD1-CH2 3.86Å; F356-W613 HydrophobicContact CD1-CH2 3.86Å; F356-W613 HydrophobicContact CD1-CZ2 4.2Å; F356-W613 AromaticContact CE1-CH2 3.78Å; F356-W613 HydrophobicContact CE1-CH2 3.78Å; F356-W613 HydrophobicContact CE1-CZ3 4.14Å; L593-W613 HydrophobicContact CD2-CE3 3.6Å; L593-W613 HydrophobicContact CD2-CZ3 4.07Å; I610-W613 HydrophobicContact CG2-CE3 3.59Å; I610-W613 HydrophobicContact CG2-CZ3 3.62Å; N611-W613 VanDerWaalsContact C-N 3.33Å; N611-W613 PolarHBondContact O-N 3.18Å; W613-L616 HydrophobicContact CB-CD1 4.12Å; W613-L616 HydrophobicContact CB-CD2 4.13Å; W613-L616 HydrophobicContact CB-CG 4.34Å; W613-L629 HydrophobicContact CB-CD1 4.49Å; W613-L629 HydrophobicContact CD2-CD1 3.85Å; W613-L629 HydrophobicContact CE3-CD1 3.92Å; W613-L629 HydrophobicContact CG-CD1 4.1Å; W613-L629 HydrophobicContact CZ3-CD1 4.45Å | ||
| 614 | D | 75.5 | Confident | 84.8 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | trans | -123.1 | 171.2 | 173.8 | 70.3 | -6.7 | 0 | 0 | 0 | 110.2 | L616 R631 | D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 2.76Å; D614-R631 WeakPolarHBondContact O-CG 3.27Å; D614-R631 PolarHBondContact O-NE 3.03Å; D614-R631 IonicContact OD1-CZ 2.71Å; D614-R631 IonicContact OD1-NE 3.24Å; D614-R631 PolarHBondContact OD1-NE 3.03Å; D614-R631 IonicContact OD1-NH2 3.64Å; D614-R631 PolarHBondContact OD1-NH2 2.7Å | ||
| 615 | R | 79.3 | Confident | 85.4 | Confident | 104 Ų | 104 | 50 Ų | 50 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 54.4 | 44.8 | 175.6 | -54.5 | 177.1 | -172 | 177.7 | -0.8 | 112.7 | G590 F617 R631 I632 V634 | G590-R615 WeakPolarHBondContact O-CA 3.45Å; G590-R615 PolarHBondContact O-N 3.5Å; R615-F617 HydrophobicContact CB-CE2 4.06Å; R615-F617 WeakPolarHBondContact O-CD2 3.44Å; R615-F617 WeakPolarHBondContact O-CE2 3.21Å; R615-R631 HydrophobicContact CB-CG 4.42Å; R615-R631 WeakPolarHBondContact O-CA 3.37Å; R615-I632 PolarHBondContact O-N 3.36Å; R615-I632 VanDerWaalsContact O-N 3.14Å; R615-V634 VanDerWaalsContact NH1-CG2 3.26Å |
| 616 | L | 85.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.7 | 177.5 | -63 | 177.7 | 0 | 0 | 0 | 110.2 | L593 W613 D614 L629 R631 | L593-L616 HydrophobicContact CB-CD1 3.74Å; L593-L616 HydrophobicContact CD1-CD1 3.82Å; L593-L616 HydrophobicContact CD2-CD1 4.08Å; L593-L616 HydrophobicContact CG-CD1 4.09Å; W613-L616 HydrophobicContact CB-CD1 4.12Å; W613-L616 HydrophobicContact CB-CD2 4.13Å; W613-L616 HydrophobicContact CB-CG 4.34Å; D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 2.76Å; L616-L629 HydrophobicContact CD1-CD1 4.36Å; L616-L629 HydrophobicContact CD1-CD2 4.32Å; L616-L629 HydrophobicContact CD2-CB 4.08Å; L616-L629 HydrophobicContact CD2-CD1 4.22Å; L616-R631 HydrophobicContact CD2-CB 4.32Å |
| 617 | F | 82.7 | Confident | 86.2 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | -15.4 | -175.3 | -68.9 | -78.7 | 0 | 0 | 0 | 114.2 | F317 P319 L573 R615 C630 I632 | F317-F617 HydrophobicContact CB-CD1 3.81Å; F317-F617 HydrophobicContact CB-CE1 4.05Å; F317-F617 AromaticContact CD2-CD1 3.77Å; F317-F617 HydrophobicContact CD2-CD1 3.77Å; F317-F617 AromaticContact CD2-CE1 3.25Å; F317-F617 HydrophobicContact CD2-CE1 3.25Å; F317-F617 AromaticContact CD2-CZ 3.71Å; F317-F617 HydrophobicContact CD2-CZ 3.71Å; F317-F617 HydrophobicContact CE2-CE1 4Å; F317-F617 AromaticContact CE2-CZ 3.98Å; F317-F617 HydrophobicContact CE2-CZ 3.98Å; F317-F617 HydrophobicContact CG-CD1 4.15Å; F317-F617 HydrophobicContact CG-CE1 4.06Å; P319-F617 WeakPolarHBondContact CA-O 3.28Å; P319-F617 VanDerWaalsContact CB-O 3.26Å; P319-F617 WeakPolarHBondContact CB-O 3.32Å; P319-F617 WeakPolarHBondContact CG-O 3.42Å; L573-F617 HydrophobicContact CD1-CD1 4Å; L573-F617 HydrophobicContact CD1-CE1 4.2Å; R615-F617 HydrophobicContact CB-CE2 4.06Å; R615-F617 WeakPolarHBondContact O-CD2 3.44Å; R615-F617 WeakPolarHBondContact O-CE2 3.21Å; F617-C630 PolarHBondContact N-O 2.98Å; F617-I632 HydrophobicContact CB-CD1 4Å; F617-I632 HydrophobicContact CB-CG1 4.26Å; F617-I632 HydrophobicContact CD1-CD1 3.82Å; F617-I632 HydrophobicContact CD2-CB 3.52Å; F617-I632 HydrophobicContact CD2-CD1 3.26Å; F617-I632 HydrophobicContact CD2-CG1 3.22Å; F617-I632 HydrophobicContact CE1-CD1 4.13Å; F617-I632 HydrophobicContact CE2-CB 3.41Å; F617-I632 VanDerWaalsContact CE2-CB 3.41Å; F617-I632 HydrophobicContact CE2-CD1 3.57Å; F617-I632 HydrophobicContact CE2-CG1 3.64Å; F617-I632 HydrophobicContact CG-CB 4.48Å; F617-I632 HydrophobicContact CG-CD1 3.36Å; F617-I632 HydrophobicContact CG-CG1 3.78Å; F617-I632 HydrophobicContact CZ-CB 4.35Å; F617-I632 HydrophobicContact CZ-CD1 3.98Å |
| 618 | G | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 146.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | C630 | G618-C630 PolarHBondContact O-N 3.41Å |
| 619 | A | 93 | Very high | 87 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A576 I586 Y588 F628 L629 | A576-A619 WeakPolarHBondContact CB-O 3.35Å; I586-A619 HydrophobicContact CD1-CB 3.38Å; I586-A619 HydrophobicContact CG1-CB 4.48Å; Y588-A619 HydrophobicContact CD1-CB 3.53Å; Y588-A619 HydrophobicContact CE1-CB 3.54Å; Y588-A619 HydrophobicContact CG-CB 4.18Å; A619-F628 VanDerWaalsContact CA-O 3.23Å; A619-F628 WeakPolarHBondContact CA-O 3.48Å; A619-L629 HydrophobicContact CB-CD2 3.59Å |
| 620 | H | 93.9 | Very high | 87.2 | Confident | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.222 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 141.3 | 179.9 | -70.5 | -84.3 | 0 | 0 | 0 | 109.9 | I322 C324 F628 | I322-H620 PolarHBondContact O-NE2 3.22Å; C324-H620 HydrophobicContact CB-CB 4.11Å; C324-H620 VanDerWaalsContact SG-CB 3.52Å; C324-H620 VanDerWaalsContact SG-CD2 3.54Å; C324-H620 VanDerWaalsContact SG-CG 3.54Å; H620-F628 PolarHBondContact N-O 2.87Å; H620-F628 PolarHBondContact O-N 3.33Å |
| 621 | F | 93.9 | Very high | 87.4 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.6 | 166.6 | -76.6 | -80.3 | 0 | 0 | 0 | 110.2 | A576 M577 F584 I586 D626 L627 | A576-F621 HydrophobicContact CB-CD2 3.89Å; A576-F621 HydrophobicContact CB-CE2 4.17Å; A576-F621 WeakPolarHBondContact O-CE2 3.2Å; M577-F621 WeakPolarHBondContact O-CD2 3.38Å; F584-F621 HydrophobicContact CD1-CE1 4.09Å; F584-F621 AromaticContact CD1-CZ 3.8Å; F584-F621 HydrophobicContact CD1-CZ 3.8Å; F584-F621 AromaticContact CE1-CE1 3.83Å; F584-F621 HydrophobicContact CE1-CE1 3.83Å; F584-F621 AromaticContact CE1-CZ 3.54Å; F584-F621 HydrophobicContact CE1-CZ 3.54Å; I586-F621 HydrophobicContact CD1-CE2 4.45Å; I586-F621 HydrophobicContact CG1-CE2 3.92Å; I586-F621 HydrophobicContact CG1-CZ 4.38Å; I586-F621 HydrophobicContact CG2-CZ 4.3Å; F621-D626 WeakPolarHBondContact CA-O 3.39Å; F621-L627 HydrophobicContact CD1-CB 4.41Å; F621-L627 HydrophobicContact CD1-CD1 4.37Å; F621-L627 HydrophobicContact CE1-CB 4.18Å; F621-L627 HydrophobicContact CE1-CD1 4.19Å; F621-L627 HydrophobicContact CE2-CD1 4.39Å; F621-L627 HydrophobicContact CZ-CD1 4.2Å |
| 622 | L | 92.5 | Very high | 87.5 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -86.3 | 162.2 | 168.8 | -59.1 | -176.2 | 0 | 0 | 0 | 109.9 | L344 N624 G625 D626 | L344-L622 HydrophobicContact CD1-CD1 3.9Å; L622-N624 VanDerWaalsContact CB-OD1 3.23Å; L622-N624 WeakPolarHBondContact CB-OD1 3.41Å; L622-N624 PolarHBondContact O-N 2.88Å; L622-G625 PolarHBondContact O-N 3.06Å; L622-D626 HydrophobicContact CB-CB 4.42Å; L622-D626 HydrophobicContact CD1-CB 4.15Å; L622-D626 PolarHBondContact N-O 2.89Å | ||
| 623 | S | 86.4 | Confident | 87.5 | Confident | 44 Ų | 44 | 29.4 Ų | 29.4 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.8 | -177.7 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | Y326 D327 G625 | Y326-S623 PolarHBondContact O-N 2.84Å; Y326-S623 PolarHBondContact O-OG 2.78Å; D327-S623 WeakPolarHBondContact CA-OG 3.41Å; D327-S623 WeakPolarHBondContact OD1-CB 3.22Å; D327-S623 PolarHBondContact OD1-OG 3.12Å; S623-G625 VanDerWaalsContact C-N 3.25Å; S623-G625 PolarHBondContact O-N 2.87Å |
| 624 | N | 86.3 | Confident | 87.3 | Confident | 101 Ų | 101 | 29.2 Ų | 29.2 | 54% | 0.54 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.1 | 175.4 | 71.5 | -13 | 0 | 0 | 0 | 113.9 | L622 D626 | L622-N624 VanDerWaalsContact CB-OD1 3.23Å; L622-N624 WeakPolarHBondContact CB-OD1 3.41Å; L622-N624 PolarHBondContact O-N 2.88Å; N624-D626 PolarHBondContact ND2-OD2 2.94Å; N624-D626 VanDerWaalsContact OD1-CB 3.28Å; N624-D626 WeakPolarHBondContact OD1-CB 3.4Å; N624-D626 PolarHBondContact OD1-N 2.88Å |
| 625 | G | 87.6 | Confident | 87.6 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 90.6 | -7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F4 S580 L622 S623 | F4-G625 WeakPolarHBondContact CB-O 3.33Å; S580-G625 WeakPolarHBondContact OG-CA 3.27Å; L622-G625 PolarHBondContact O-N 3.06Å; S623-G625 VanDerWaalsContact C-N 3.25Å; S623-G625 PolarHBondContact O-N 2.87Å |
| 626 | D | 91.5 | Very high | 87.7 | Confident | 15 Ų | 15 | 26 Ų | 26 | 8% | 0.08 | 14% | 0.137 | C | C | . | . | trans | -65.5 | 153.6 | 173.7 | -73.9 | -17.9 | 0 | 0 | 0 | 111.3 | N5 H7 F621 L622 N624 | N5-D626 WeakPolarHBondContact CB-OD1 3.3Å; N5-D626 PolarHBondContact N-OD1 2.69Å; N5-D626 PolarHBondContact ND2-OD1 3.44Å; H7-D626 IonicContact NE2-OD2 3.74Å; H7-D626 PolarHBondContact NE2-OD2 2.77Å; F621-D626 WeakPolarHBondContact CA-O 3.39Å; L622-D626 HydrophobicContact CB-CB 4.42Å; L622-D626 HydrophobicContact CD1-CB 4.15Å; L622-D626 PolarHBondContact N-O 2.89Å; N624-D626 PolarHBondContact ND2-OD2 2.94Å; N624-D626 VanDerWaalsContact OD1-CB 3.28Å; N624-D626 WeakPolarHBondContact OD1-CB 3.4Å; N624-D626 PolarHBondContact OD1-N 2.88Å | ||
| 627 | L | 92.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.4 | -179.6 | 174.9 | 61.9 | 0 | 0 | 0 | 110.7 | F4 N5 V6 H7 I586 F621 L629 | F4-L627 HydrophobicContact CD2-CB 3.93Å; F4-L627 HydrophobicContact CE2-CB 3.66Å; F4-L627 HydrophobicContact CE2-CD2 4.11Å; N5-L627 PolarHBondContact O-N 2.84Å; V6-L627 CarbonylContact C-O 3.55Å; V6-L627 WeakPolarHBondContact CA-O 3.38Å; V6-L627 HydrophobicContact CG1-CD2 4.36Å; V6-L627 HydrophobicContact CG1-CG 4.47Å; V6-L627 HydrophobicContact CG2-CB 4.39Å; V6-L627 HydrophobicContact CG2-CD2 4.42Å; H7-L627 PolarHBondContact N-O 3.22Å; I586-L627 HydrophobicContact CD1-CD1 3.3Å; I586-L627 HydrophobicContact CD1-CD2 3.97Å; I586-L627 HydrophobicContact CD1-CG 4.25Å; I586-L627 HydrophobicContact CG1-CD1 4.38Å; I586-L627 HydrophobicContact CG2-CD2 4.49Å; F621-L627 HydrophobicContact CD1-CB 4.41Å; F621-L627 HydrophobicContact CD1-CD1 4.37Å; F621-L627 HydrophobicContact CE1-CB 4.18Å; F621-L627 HydrophobicContact CE1-CD1 4.19Å; F621-L627 HydrophobicContact CE2-CD1 4.39Å; F621-L627 HydrophobicContact CZ-CD1 4.2Å; L627-L629 HydrophobicContact CD1-CD2 4.13Å; L627-L629 HydrophobicContact CD2-CD1 4.33Å; L627-L629 HydrophobicContact CD2-CD2 3.95Å; L627-L629 HydrophobicContact CD2-CG 4.09Å; L627-L629 HydrophobicContact CG-CD2 4Å; L627-L629 HydrophobicContact CG-CG 4.06Å |
| 628 | F | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.9 | 166.7 | 172.7 | -98.8 | 0 | 0 | 0 | 110.6 | H7 F9 I322 V331 F333 L344 A619 H620 C630 | H7-F628 HydrophobicContact CB-CD2 4.25Å; F9-F628 HydrophobicContact CB-CE2 3.49Å; F9-F628 VanDerWaalsContact CB-CE2 3.49Å; F9-F628 HydrophobicContact CB-CZ 3.83Å; F9-F628 HydrophobicContact CG-CE2 4.23Å; F9-F628 HydrophobicContact CG-CZ 4.44Å; I322-F628 HydrophobicContact CG2-CE1 3.93Å; V331-F628 HydrophobicContact CB-CE2 4.48Å; V331-F628 HydrophobicContact CB-CZ 4.34Å; V331-F628 HydrophobicContact CG1-CE1 3.86Å; V331-F628 HydrophobicContact CG1-CE2 4.33Å; V331-F628 HydrophobicContact CG1-CZ 3.72Å; V331-F628 HydrophobicContact CG2-CD1 4.35Å; V331-F628 HydrophobicContact CG2-CD2 3.9Å; V331-F628 HydrophobicContact CG2-CE1 4.26Å; V331-F628 HydrophobicContact CG2-CE2 3.77Å; V331-F628 HydrophobicContact CG2-CG 4.18Å; V331-F628 HydrophobicContact CG2-CZ 3.98Å; F333-F628 HydrophobicContact CZ-CZ 4.11Å; L344-F628 HydrophobicContact CD1-CD2 4.15Å; L344-F628 HydrophobicContact CD2-CD2 3.7Å; L344-F628 HydrophobicContact CD2-CE2 3.74Å; A619-F628 VanDerWaalsContact CA-O 3.23Å; A619-F628 WeakPolarHBondContact CA-O 3.48Å; H620-F628 PolarHBondContact N-O 2.87Å; H620-F628 PolarHBondContact O-N 3.33Å; F628-C630 HydrophobicContact CE1-CB 3.91Å; F628-C630 HydrophobicContact CZ-CB 4.02Å |
| 629 | L | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.7 | 174.3 | -66.2 | -175.5 | 0 | 0 | 0 | 110.1 | V6 H7 V8 F9 I586 L593 W613 L616 A619 L627 | V6-L629 HydrophobicContact CG1-CD1 3.59Å; V6-L629 HydrophobicContact CG1-CG 3.89Å; H7-L629 PolarHBondContact O-N 3.14Å; V8-L629 WeakPolarHBondContact CA-O 3.27Å; V8-L629 HydrophobicContact CG2-CB 4.49Å; F9-L629 PolarHBondContact N-O 3.33Å; I586-L629 HydrophobicContact CD1-CD2 4.22Å; L593-L629 HydrophobicContact CD2-CD1 4.22Å; W613-L629 HydrophobicContact CB-CD1 4.49Å; W613-L629 HydrophobicContact CD2-CD1 3.85Å; W613-L629 HydrophobicContact CE3-CD1 3.92Å; W613-L629 HydrophobicContact CG-CD1 4.1Å; W613-L629 HydrophobicContact CZ3-CD1 4.45Å; L616-L629 HydrophobicContact CD1-CD1 4.36Å; L616-L629 HydrophobicContact CD1-CD2 4.32Å; L616-L629 HydrophobicContact CD2-CB 4.08Å; L616-L629 HydrophobicContact CD2-CD1 4.22Å; A619-L629 HydrophobicContact CB-CD2 3.59Å; L627-L629 HydrophobicContact CD1-CD2 4.13Å; L627-L629 HydrophobicContact CD2-CD1 4.33Å; L627-L629 HydrophobicContact CD2-CD2 3.95Å; L627-L629 HydrophobicContact CD2-CG 4.09Å; L627-L629 HydrophobicContact CG-CD2 4Å; L627-L629 HydrophobicContact CG-CG 4.06Å |
| 630 | C | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.2 | 169.5 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | F9 I322 F617 G618 F628 | F9-C630 WeakPolarHBondContact O-CA 3.4Å; I322-C630 HydrophobicContact CD1-CB 3.61Å; F617-C630 PolarHBondContact N-O 2.98Å; G618-C630 PolarHBondContact O-N 3.41Å; F628-C630 HydrophobicContact CE1-CB 3.91Å; F628-C630 HydrophobicContact CZ-CB 4.02Å |
| 631 | R | 88.7 | Confident | 86.7 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.9 | 177.6 | -175.8 | 178.3 | -174.1 | -149.9 | 1.2 | 109.2 | V8 F9 S10 D614 R615 L616 | V8-R631 HydrophobicContact CG1-CB 4.29Å; F9-R631 PolarHBondContact O-N 3.18Å; S10-R631 VanDerWaalsContact CA-O 3.29Å; S10-R631 WeakPolarHBondContact CA-O 3.34Å; D614-R631 WeakPolarHBondContact O-CG 3.27Å; D614-R631 PolarHBondContact O-NE 3.03Å; D614-R631 IonicContact OD1-CZ 2.71Å; D614-R631 IonicContact OD1-NE 3.24Å; D614-R631 PolarHBondContact OD1-NE 3.03Å; D614-R631 IonicContact OD1-NH2 3.64Å; D614-R631 PolarHBondContact OD1-NH2 2.7Å; R615-R631 HydrophobicContact CB-CG 4.42Å; R615-R631 WeakPolarHBondContact O-CA 3.37Å; L616-R631 HydrophobicContact CD2-CB 4.32Å |
| 632 | I | 79.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -94.5 | 124.1 | 172.8 | -62.2 | 169.3 | 0 | 0 | 0 | 109.1 | P14 F317 R615 F617 | P14-I632 VanDerWaalsContact CD-CD1 3.46Å; P14-I632 HydrophobicContact CG-CD1 3.55Å; P14-I632 HydrophobicContact CG-CG1 4.47Å; F317-I632 HydrophobicContact CD1-CD1 4.25Å; F317-I632 HydrophobicContact CD2-CD1 3.83Å; F317-I632 HydrophobicContact CE1-CD1 4.29Å; F317-I632 HydrophobicContact CE2-CD1 3.82Å; F317-I632 HydrophobicContact CG-CD1 4.02Å; F317-I632 HydrophobicContact CZ-CD1 4.05Å; R615-I632 PolarHBondContact O-N 3.36Å; R615-I632 VanDerWaalsContact O-N 3.14Å; F617-I632 HydrophobicContact CB-CD1 4Å; F617-I632 HydrophobicContact CB-CG1 4.26Å; F617-I632 HydrophobicContact CD1-CD1 3.82Å; F617-I632 HydrophobicContact CD2-CB 3.52Å; F617-I632 HydrophobicContact CD2-CD1 3.26Å; F617-I632 HydrophobicContact CD2-CG1 3.22Å; F617-I632 HydrophobicContact CE1-CD1 4.13Å; F617-I632 HydrophobicContact CE2-CB 3.41Å; F617-I632 VanDerWaalsContact CE2-CB 3.41Å; F617-I632 HydrophobicContact CE2-CD1 3.57Å; F617-I632 HydrophobicContact CE2-CG1 3.64Å; F617-I632 HydrophobicContact CG-CB 4.48Å; F617-I632 HydrophobicContact CG-CD1 3.36Å; F617-I632 HydrophobicContact CG-CG1 3.78Å; F617-I632 HydrophobicContact CZ-CB 4.35Å; F617-I632 HydrophobicContact CZ-CD1 3.98Å | ||
| 633 | E | 79.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | trans | -79.5 | 119.6 | 166.8 | -79 | 174.7 | -165 | 0 | 0 | 110 | S10 S635 N636 Y637 | S10-E633 VanDerWaalsContact CB-OE1 3.24Å; S10-E633 WeakPolarHBondContact CB-OE1 3.5Å; S10-E633 PolarHBondContact OG-OE1 3.46Å; E633-S635 PolarHBondContact O-N 3.36Å; E633-N636 HydrophobicContact CB-CB 4.34Å; E633-N636 PolarHBondContact O-N 3.21Å; E633-N636 VanDerWaalsContact O-N 3.08Å; E633-N636 PolarHBondContact OE2-ND2 3.36Å; E633-Y637 PolarHBondContact O-N 3.34Å | ||
| 634 | V | 76.3 | Confident | 86.2 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.261 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -31.5 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R615 Y637 E638 | R615-V634 VanDerWaalsContact NH1-CG2 3.26Å; V634-Y637 PolarHBondContact O-N 3.1Å; V634-E638 HydrophobicContact CG1-CG 4.08Å; V634-E638 WeakPolarHBondContact O-CB 3.34Å; V634-E638 WeakPolarHBondContact O-CG 2.81Å; V634-E638 PolarHBondContact O-N 2.98Å |
| 635 | S | 80.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.9 | -48.4 | 172.5 | 43 | 0 | 0 | 0 | 0 | 111.6 | E633 Y637 E638 E639 | E633-S635 PolarHBondContact O-N 3.36Å; S635-Y637 VanDerWaalsContact C-N 3.29Å; S635-Y637 PolarHBondContact O-N 3.41Å; S635-E638 PolarHBondContact O-N 3.15Å; S635-E638 VanDerWaalsContact O-N 3.12Å; S635-E639 WeakPolarHBondContact O-CB 3.4Å; S635-E639 VanDerWaalsContact O-CG 3.3Å; S635-E639 WeakPolarHBondContact O-CG 3.29Å; S635-E639 PolarHBondContact O-N 3.34Å |
| 636 | N | 82.7 | Confident | 85.9 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | -177.8 | -58.3 | -7.2 | 0 | 0 | 0 | 110.7 | S10 A13 E633 A640 | S10-N636 PolarHBondContact O-ND2 2.84Å; A13-N636 HydrophobicContact CB-CB 3.91Å; E633-N636 HydrophobicContact CB-CB 4.34Å; E633-N636 PolarHBondContact O-N 3.21Å; E633-N636 VanDerWaalsContact O-N 3.08Å; E633-N636 PolarHBondContact OE2-ND2 3.36Å; N636-A640 PolarHBondContact O-N 2.65Å |
| 637 | Y | 82.4 | Confident | 85.4 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | 172.3 | -176 | -89.4 | 0 | 0 | 0 | 112.1 | P16 D297 G298 Y315 F317 E633 V634 S635 E639 A640 L641 | P16-Y637 HydrophobicContact CB-CE1 4.32Å; P16-Y637 HydrophobicContact CB-CE2 3.76Å; P16-Y637 WeakPolarHBondContact CB-OH 3.42Å; P16-Y637 HydrophobicContact CG-CE2 4.46Å; D297-Y637 WeakPolarHBondContact O-CE1 3.44Å; D297-Y637 PolarHBondContact O-OH 2.95Å; G298-Y637 WeakPolarHBondContact CA-OH 3.32Å; Y315-Y637 AromaticContact CD1-CE1 3.9Å; Y315-Y637 HydrophobicContact CD1-CE1 3.9Å; Y315-Y637 HydrophobicContact CD1-CE2 4.26Å; Y315-Y637 AromaticContact CD1-CZ 3.73Å; Y315-Y637 HydrophobicContact CE1-CD1 4.09Å; Y315-Y637 AromaticContact CE1-CE1 3.6Å; Y315-Y637 HydrophobicContact CE1-CE1 3.6Å; Y315-Y637 AromaticContact CE1-CZ 3.95Å; F317-Y637 AromaticContact CE1-CD2 3.98Å; F317-Y637 HydrophobicContact CE1-CD2 3.98Å; F317-Y637 AromaticContact CE1-CE2 3.76Å; F317-Y637 HydrophobicContact CE1-CE2 3.76Å; F317-Y637 AromaticContact CZ-CD2 3.67Å; F317-Y637 HydrophobicContact CZ-CD2 3.67Å; F317-Y637 AromaticContact CZ-CE2 3.69Å; F317-Y637 HydrophobicContact CZ-CE2 3.69Å; F317-Y637 HydrophobicContact CZ-CG 4.42Å; E633-Y637 PolarHBondContact O-N 3.34Å; V634-Y637 PolarHBondContact O-N 3.1Å; S635-Y637 VanDerWaalsContact C-N 3.29Å; S635-Y637 PolarHBondContact O-N 3.41Å; Y637-E639 VanDerWaalsContact C-N 3.3Å; Y637-E639 PolarHBondContact O-N 3.31Å; Y637-A640 PolarHBondContact O-N 3.1Å; Y637-L641 HydrophobicContact CD1-CD1 4.36Å; Y637-L641 HydrophobicContact CD1-CG 4.45Å; Y637-L641 HydrophobicContact CE1-CD1 4.15Å; Y637-L641 HydrophobicContact CE1-CD2 4.05Å; Y637-L641 HydrophobicContact CE1-CG 4.23Å; Y637-L641 PolarHBondContact O-N 2.79Å |
| 638 | E | 83 | Confident | 84.4 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 179 | -77.5 | -172.3 | -169.6 | 0 | 0 | 113.2 | V634 S635 L641 | V634-E638 HydrophobicContact CG1-CG 4.08Å; V634-E638 WeakPolarHBondContact O-CB 3.34Å; V634-E638 WeakPolarHBondContact O-CG 2.81Å; V634-E638 PolarHBondContact O-N 2.98Å; S635-E638 PolarHBondContact O-N 3.15Å; S635-E638 VanDerWaalsContact O-N 3.12Å; E638-L641 WeakPolarHBondContact O-CB 3.28Å; E638-L641 PolarHBondContact O-N 2.94Å |
| 639 | E | 85.4 | Confident | 83.2 | Confident | 153 Ų | 153 | 75.2 Ų | 75.2 | 72% | 0.715 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.8 | -33.7 | 174.2 | -76.7 | 176.5 | -169.8 | 0 | 0 | 112.2 | S635 Y637 L641 | S635-E639 WeakPolarHBondContact O-CB 3.4Å; S635-E639 VanDerWaalsContact O-CG 3.3Å; S635-E639 WeakPolarHBondContact O-CG 3.29Å; S635-E639 PolarHBondContact O-N 3.34Å; Y637-E639 VanDerWaalsContact C-N 3.3Å; Y637-E639 PolarHBondContact O-N 3.31Å; E639-L641 VanDerWaalsContact C-N 3.26Å; E639-L641 PolarHBondContact O-N 3.27Å |
| 640 | A | 85.8 | Confident | 81.6 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.2 | -15.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P16 N636 Y637 | P16-A640 HydrophobicContact CG-CB 3.95Å; N636-A640 PolarHBondContact O-N 2.65Å; Y637-A640 PolarHBondContact O-N 3.1Å |
| 641 | L | 87.5 | Confident | 79.8 | Confident | 16 Ų | 16 | 83.8 Ų | 83.8 | 8% | 0.084 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -71.3 | 150.7 | 176.5 | -66.6 | 173.4 | 0 | 0 | 0 | 111.4 | P16 Q296 Y637 E638 E639 | P16-L641 HydrophobicContact CB-CD2 3.4Å; P16-L641 VanDerWaalsContact CB-CD2 3.4Å; P16-L641 HydrophobicContact CB-CG 4.43Å; P16-L641 HydrophobicContact CG-CD2 3.69Å; P16-L641 HydrophobicContact CG-CG 4.33Å; Q296-L641 VanDerWaalsContact O-CD2 3.32Å; Q296-L641 WeakPolarHBondContact O-CD2 3.32Å; Y637-L641 HydrophobicContact CD1-CD1 4.36Å; Y637-L641 HydrophobicContact CD1-CG 4.45Å; Y637-L641 HydrophobicContact CE1-CD1 4.15Å; Y637-L641 HydrophobicContact CE1-CD2 4.05Å; Y637-L641 HydrophobicContact CE1-CG 4.23Å; Y637-L641 PolarHBondContact O-N 2.79Å; E638-L641 WeakPolarHBondContact O-CB 3.28Å; E638-L641 PolarHBondContact O-N 2.94Å; E639-L641 VanDerWaalsContact C-N 3.26Å; E639-L641 PolarHBondContact O-N 3.27Å |
| 642 | P | 87.3 | Confident | 77.5 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 154.2 | 168.4 | -25 | 33.4 | 0 | 0 | 0 | 111.2 | R279 | R279-P642 PolarHBondContact NE-O 2.8Å; R279-P642 PolarHBondContact NH2-O 3Å |
| 643 | K | 88.6 | Confident | 75.7 | Confident | 195 Ų | 195 | 101.5 Ų | 101.5 | 85% | 0.848 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 151.3 | 178.7 | -70.4 | -177.2 | -179.2 | 175.7 | 0 | 112 | R279 | R279-K643 PolarHBondContact NE-O 3.01Š|
| 644 | R | 86.6 | Confident | 75.5 | Confident | 141 Ų | 141 | 103.4 Ų | 103.4 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 128.7 | 175.9 | -77.3 | -179.7 | -166.4 | -149.7 | 3.8 | 109.3 | R279 K646 | R279-R644 VanDerWaalsContact CZ-N 3.3Å; R279-R644 VanDerWaalsContact NE-CA 3.32Å; R279-R644 VanDerWaalsContact NE-N 3.17Å; R644-K646 PolarHBondContact O-N 3.07Å |
| 645 | P | 83 | Confident | 75.4 | Confident | 42 Ų | 42 | 106.5 Ų | 106.5 | 27% | 0.273 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.1 | 172.9 | 27.1 | -34.1 | 0 | 0 | 0 | 108.7 | F647 | P645-F647 HydrophobicContact CB-CD2 4.35Å; P645-F647 HydrophobicContact CB-CE2 3.52Å; P645-F647 HydrophobicContact CB-CZ 3.63Å; P645-F647 HydrophobicContact CG-CE2 3.61Å; P645-F647 HydrophobicContact CG-CZ 4.09Å |
| 646 | K | 84.5 | Confident | 75.2 | Confident | 208 Ų | 208 | 109.4 Ų | 109.4 | 90% | 0.904 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 120.8 | 179.1 | -69 | -176.9 | 179.9 | 179.7 | 0 | 108.3 | R644 | R644-K646 PolarHBondContact O-N 3.07Š|
| 647 | F | 80.9 | Confident | 74.7 | Confident | 57 Ų | 57 | 113.4 Ų | 113.4 | 25% | 0.25 | 56% | 0.559 | C | S | . | * | trans | -121.4 | 147.8 | 175.7 | -60.2 | -69.3 | 0 | 0 | 0 | 110.8 | R233 A234 D254 P645 | R233-F647 HydrophobicContact CB-CB 4.19Å; R233-F647 HydrophobicContact CB-CD1 3.9Å; R233-F647 HydrophobicContact CB-CG 4.02Å; R233-F647 VanDerWaalsContact CD-CB 3.43Å; A234-F647 HydrophobicContact CB-CE1 3.63Å; A234-F647 HydrophobicContact CB-CZ 3.92Å; D254-F647 HydrophobicContact CB-CD2 4.04Å; D254-F647 HydrophobicContact CB-CE1 4.38Å; D254-F647 HydrophobicContact CB-CE2 3.4Å; D254-F647 VanDerWaalsContact CB-CE2 3.4Å; D254-F647 HydrophobicContact CB-CZ 3.6Å; P645-F647 HydrophobicContact CB-CD2 4.35Å; P645-F647 HydrophobicContact CB-CE2 3.52Å; P645-F647 HydrophobicContact CB-CZ 3.63Å; P645-F647 HydrophobicContact CG-CE2 3.61Å; P645-F647 HydrophobicContact CG-CZ 4.09Å | ||
| 648 | P | 71.8 | Confident | 74.2 | Confident | 92 Ų | 92 | 119.9 Ų | 119.9 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 147.9 | 171.2 | 22.8 | -31.4 | 0 | 0 | 0 | 110.7 | R233 | R233-P648 PolarHBondContact NE-O 3.05Å; R233-P648 PolarHBondContact NH1-O 3.3Å; R233-P648 VanDerWaalsContact NH1-O 3.14Å; R233-P648 PolarHBondContact NH2-O 3.25Å |
| 649 | K | 67.2 | Low | 73.7 | Confident | 170 Ų | 170 | 122.3 Ų | 122.3 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.4 | 176.2 | -71.6 | -172.9 | 179.2 | -177.6 | 0 | 109.7 | G651 K652 | K649-G651 PolarHBondContact O-N 3.08Å; K649-K652 PolarHBondContact O-N 3.49Å |
| 650 | Y | 59.9 | Low | 72.8 | Confident | 97 Ų | 97 | 120.1 Ų | 120.1 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | 126.8 | 177.5 | -78.8 | -73.9 | 0 | 0 | 0 | 107.6 | R233 R273 | R233-Y650 HydrophobicContact CG-CD1 4.46Å; R233-Y650 HydrophobicContact CG-CE1 3.71Å; R273-Y650 VanDerWaalsContact NH1-CD2 3.35Å; R273-Y650 VanDerWaalsContact NH1-CZ 3.27Å; R273-Y650 VanDerWaalsContact NH2-CZ 3.25Å; R273-Y650 PolarHBondContact NH2-OH 3.14Å |
| 651 | G | 55 | Low | 71.8 | Confident | 83 Ų | 83 | 125 Ų | 125 | 86% | 0.856 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.6 | 5.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.7 | K649 | K649-G651 PolarHBondContact O-N 3.08Š|
| 652 | K | 40.5 | Very low | 70.5 | Confident | 170 Ų | 170 | 134.1 Ų | 134.1 | 74% | 0.739 | 65% | 0.65 | S | S | * | * | trans | -105.8 | 103.5 | 161.2 | -74.1 | -169.7 | 173.8 | -168 | 0 | 108.6 | K649 | K649-K652 PolarHBondContact O-N 3.49Š| ||
| 653 | K | 40.8 | Very low | 69 | Low | 286 Ų | 286 | 140.1 Ų | 140.1 | 100% | 1.243 | 67% | 0.669 | S | S | * | * | trans | -73 | 0 | 157.1 | -86.7 | -171.7 | 176.8 | -178.7 | 0 | 108.8 |
Retrieved 653 of 653 residues in 340.4 ms
(Link to these results)