| 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 | 45.4 | Very low | 43.4 | Very low | 56 Ų | 56 | 110.7 Ų | 110.7 | 28% | 0.276 | 53% | 0.531 | S | S | . | . | 0 | 137.2 | 0 | -133.8 | 174.8 | -94 | 0 | 0 | 109 | F3 F4 L391 V394 E437 D442 S444 F445 | M1-F3 PolarHBondContact O-N 2.93Å; M1-F4 CarbonylContact O-C 3.59Å; M1-L391 HydrophobicContact SD-CD2 4.47Å; M1-V394 HydrophobicContact CE-CB 4.22Å; M1-V394 HydrophobicContact CE-CG1 3.75Å; M1-V394 HydrophobicContact CE-CG2 4Å; M1-V394 HydrophobicContact SD-CB 4.46Å; M1-V394 HydrophobicContact SD-CG2 3.9Å; M1-E437 HydrophobicContact SD-CG 4.44Å; M1-D442 WeakPolarHBondContact CA-OD2 3.46Å; M1-D442 WeakPolarHBondContact CB-OD2 3.4Å; M1-D442 HydrophobicContact CE-CB 4.38Å; M1-D442 HydrophobicContact CG-CB 4.17Å; M1-D442 WeakPolarHBondContact CG-OD2 3.26Å; M1-D442 PolarHBondContact N-OD2 2.97Å; M1-S444 WeakPolarHBondContact CE-OG 3.39Å; M1-F445 HydrophobicContact CE-CB 3.97Å; M1-F445 HydrophobicContact CE-CD1 4.21Å | |||
| 2 | A | 36.4 | Very low | 45.4 | Very low | 36 Ų | 36 | 109.2 Ų | 109.2 | 30% | 0.298 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F4 L253 C254 | A2-F4 VanDerWaalsContact C-N 3.34Å; A2-F4 PolarHBondContact O-N 3.42Å; A2-L253 HydrophobicContact CB-CB 3.87Å; A2-L253 HydrophobicContact CB-CD1 3.98Å; A2-C254 PolarHBondContact O-SG 2.86Å |
| 3 | F | 54.8 | Low | 48.4 | Very low | 18 Ų | 18 | 101.8 Ų | 101.8 | 8% | 0.079 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.4 | -174.5 | -134.1 | -93.1 | 0 | 0 | 0 | 116.8 | M1 C316 L319 Y322 L391 | M1-F3 PolarHBondContact O-N 2.93Å; F3-C316 HydrophobicContact CD2-CB 3.82Å; F3-C316 WeakPolarHBondContact CE1-O 3.48Å; F3-C316 VanDerWaalsContact CE2-CA 3.43Å; F3-C316 HydrophobicContact CE2-CB 3.13Å; F3-C316 WeakPolarHBondContact CE2-SG 3.39Å; F3-C316 VanDerWaalsContact CZ-CA 3.49Å; F3-C316 HydrophobicContact CZ-CB 3.61Å; F3-C316 WeakPolarHBondContact CZ-O 3.36Å; F3-L319 HydrophobicContact CE1-CD2 3.81Å; F3-L319 HydrophobicContact CZ-CD2 3.85Å; F3-Y322 HydrophobicContact CD1-CE2 4.36Å; F3-Y322 AromaticContact CD2-CE2 3.82Å; F3-Y322 HydrophobicContact CD2-CE2 3.82Å; F3-Y322 AromaticContact CD2-CZ 3.53Å; F3-Y322 WeakPolarHBondContact CD2-OH 3.43Å; F3-Y322 HydrophobicContact CE1-CD2 4.44Å; F3-Y322 AromaticContact CE1-CE2 3.6Å; F3-Y322 HydrophobicContact CE1-CE2 3.6Å; F3-Y322 AromaticContact CE2-CD2 3.75Å; F3-Y322 HydrophobicContact CE2-CD2 3.75Å; F3-Y322 AromaticContact CE2-CE1 3.98Å; F3-Y322 HydrophobicContact CE2-CE1 3.98Å; F3-Y322 AromaticContact CE2-CE2 2.92Å; F3-Y322 HydrophobicContact CE2-CE2 2.92Å; F3-Y322 AromaticContact CE2-CZ 2.99Å; F3-Y322 WeakPolarHBondContact CE2-OH 3.46Å; F3-Y322 HydrophobicContact CG-CE2 4.45Å; F3-Y322 AromaticContact CZ-CD2 3.47Å; F3-Y322 HydrophobicContact CZ-CD2 3.47Å; F3-Y322 VanDerWaalsContact CZ-CD2 3.47Å; F3-Y322 AromaticContact CZ-CE2 2.8Å; F3-Y322 HydrophobicContact CZ-CE2 2.8Å; F3-Y322 AromaticContact CZ-CZ 3.46Å; F3-Y322 VanDerWaalsContact CZ-CZ 3.46Å; F3-L391 HydrophobicContact CD1-CD1 4.38Å |
| 4 | F | 54.2 | Low | 51.3 | Low | 70 Ų | 70 | 94.7 Ų | 94.7 | 31% | 0.307 | 45% | 0.452 | S | S | . | . | trans | -124.2 | 97.3 | 168.1 | -61.8 | -74.2 | 0 | 0 | 0 | 103.9 | M1 A2 T6 V394 A395 H398 | M1-F4 CarbonylContact O-C 3.59Å; A2-F4 VanDerWaalsContact C-N 3.34Å; A2-F4 PolarHBondContact O-N 3.42Å; F4-T6 PolarHBondContact O-N 3.07Å; F4-V394 HydrophobicContact CE2-CG2 4.49Å; F4-A395 HydrophobicContact CE2-CB 3.91Å; F4-A395 HydrophobicContact CZ-CB 3.56Å; F4-H398 AromaticContact CE1-CE1 3.67Å; F4-H398 AromaticContact CZ-CE1 3.98Å | ||
| 5 | K | 43.7 | Very low | 53.8 | Low | 95 Ų | 95 | 90.5 Ų | 90.5 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | trans | -44 | 127.2 | 141.3 | -86.3 | -174.5 | 179.2 | -177.9 | 0 | 103.7 | Q7 D256 | K5-Q7 PolarHBondContact O-N 3.26Å; K5-D256 IonicContact NZ-OD1 3.15Å; K5-D256 PolarHBondContact NZ-OD1 3.38Å | ||
| 6 | T | 35.7 | Very low | 56.1 | Low | 135 Ų | 135 | 85.4 Ų | 85.4 | 83% | 0.828 | 41% | 0.412 | S | S | * | . | trans | -55.5 | 72.7 | 152.3 | 33.9 | 0 | 0 | 0 | 0 | 105.9 | F4 E8 | F4-T6 PolarHBondContact O-N 3.07Å; T6-E8 PolarHBondContact O-N 3.18Å | ||
| 7 | Q | 38.3 | Very low | 58.2 | Low | 137 Ų | 137 | 81 Ų | 81 | 64% | 0.64 | 39% | 0.392 | S | S | * | . | trans | -47.6 | 103.9 | 133.2 | -84.7 | -175.2 | -12.3 | 0 | 0 | 100.6 | K5 R9 | K5-Q7 PolarHBondContact O-N 3.26Å; Q7-R9 VanDerWaalsContact C-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.12Å | ||
| 8 | E | 37 | Very low | 60 | Low | 170 Ų | 170 | 76.7 Ų | 76.7 | 79% | 0.794 | 37% | 0.371 | S | S | * | . | trans | -26.7 | 111.2 | 157.7 | -65.2 | 177.2 | 136.7 | 0 | 0 | 104.8 | T6 T10 | T6-E8 PolarHBondContact O-N 3.18Å; E8-T10 WeakPolarHBondContact O-CA 2.87Å; E8-T10 PolarHBondContact O-N 3.11Å | ||
| 9 | R | 38.9 | Very low | 61.6 | Low | 203 Ų | 203 | 73.2 Ų | 73.2 | 77% | 0.766 | 35% | 0.354 | S | S | * | . | trans | -39.8 | 106.9 | 174.1 | -87.9 | 176.5 | 168.4 | 173.4 | -4.4 | 103.7 | Q7 K11 | Q7-R9 VanDerWaalsContact C-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.12Å; R9-K11 PolarHBondContact O-N 2.93Å; R9-K11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | T | 42.9 | Very low | 62.8 | Low | 81 Ų | 81 | 72.8 Ų | 72.8 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | trans | -53.2 | 133.8 | -175.6 | 32.7 | 0 | 0 | 0 | 0 | 103.2 | E8 E12 | E8-T10 WeakPolarHBondContact O-CA 2.87Å; E8-T10 PolarHBondContact O-N 3.11Å; T10-E12 PolarHBondContact O-N 3.34Å; T10-E12 VanDerWaalsContact O-O 3.12Å | ||
| 11 | K | 49.5 | Very low | 63.5 | Low | 217 Ų | 217 | 73.3 Ų | 73.3 | 94% | 0.943 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -55.8 | -10 | -178.8 | -76.8 | 178 | 176.1 | 173.7 | 0 | 112.1 | R9 | R9-K11 PolarHBondContact O-N 2.93Å; R9-K11 VanDerWaalsContact O-N 3.13Å |
| 12 | E | 67.6 | Low | 65 | Low | 92 Ų | 92 | 73.5 Ų | 73.5 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | trans | -82.9 | 133.1 | 177.9 | -58.9 | -178.3 | 179.3 | 0 | 0 | 112.1 | T10 H218 | T10-E12 PolarHBondContact O-N 3.34Å; T10-E12 VanDerWaalsContact O-O 3.12Å; E12-H218 IonicContact OE2-CE1 3.85Å; E12-H218 PolarHBondContact OE2-CE1 2.95Å; E12-H218 IonicContact OE2-ND1 3.3Å; E12-H218 PolarHBondContact OE2-ND1 3.11Å | ||
| 13 | R | 84.9 | Confident | 67.5 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -78.8 | -31.3 | -179.4 | -63.9 | 169.2 | 67.8 | -169 | 0.1 | 112.7 | G61 L62 E64 I66 K106 | R13-G61 PolarHBondContact NH1-O 2.84Å; R13-L62 HydrophobicContact CG-CD2 4.09Å; R13-E64 VanDerWaalsContact CZ-O 3.28Å; R13-E64 PolarHBondContact NH1-O 2.89Å; R13-E64 PolarHBondContact NH2-O 3Å; R13-I66 HydrophobicContact CB-CD1 4.05Å; R13-K106 PolarHBondContact NH2-O 3.24Å; R13-K106 PolarHBondContact O-NZ 3.24Å |
| 14 | F | 88.4 | Confident | 69.2 | Low | 3 Ų | 3 | 72.9 Ų | 72.9 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | trans | -66 | 142.7 | 175.8 | 176.2 | -97.2 | 0 | 0 | 0 | 111.7 | L16 L18 L19 Y25 K49 I56 D58 | F14-L16 HydrophobicContact CE1-CD2 4.25Å; F14-L16 HydrophobicContact CZ-CD2 4.5Å; F14-L18 HydrophobicContact CD2-CD1 4.08Å; F14-L19 HydrophobicContact CZ-CD2 4.5Å; F14-Y25 AromaticContact CE1-CD1 3.96Å; F14-Y25 HydrophobicContact CE1-CD1 3.96Å; F14-Y25 HydrophobicContact CE1-CE1 4.04Å; F14-Y25 HydrophobicContact CZ-CD1 4.21Å; F14-Y25 HydrophobicContact CZ-CG 4.46Å; F14-K49 HydrophobicContact CD1-CD 3.94Å; F14-K49 VanDerWaalsContact CD1-CE 3.46Å; F14-K49 HydrophobicContact CD2-CD 3.67Å; F14-K49 HydrophobicContact CE1-CD 3.89Å; F14-K49 HydrophobicContact CE2-CD 3.64Å; F14-K49 HydrophobicContact CG-CD 3.82Å; F14-K49 VanDerWaalsContact CG-CE 3.42Å; F14-K49 HydrophobicContact CZ-CD 3.75Å; F14-I56 HydrophobicContact CD2-CG2 4.04Å; F14-I56 HydrophobicContact CE2-CD1 3.84Å; F14-I56 HydrophobicContact CE2-CG2 4.08Å; F14-D58 WeakPolarHBondContact CB-OD2 3.49Å; F14-D58 PolarHBondContact N-OD2 2.95Å | ||
| 15 | S | 89.1 | Confident | 71 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | trans | -140.8 | 152.3 | 171.8 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | L17 L18 | S15-L17 PolarHBondContact O-N 2.71Å; S15-L17 VanDerWaalsContact O-N 3.15Å; S15-L17 PolarHBondContact OG-N 3.2Å; S15-L18 WeakPolarHBondContact O-CB 3.34Å; S15-L18 WeakPolarHBondContact O-CG 3.47Å; S15-L18 PolarHBondContact O-N 3.01Å; S15-L18 VanDerWaalsContact O-N 3.08Å | ||
| 16 | L | 90.9 | Very high | 73.2 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -60.3 | -20.2 | 173.7 | -63 | 176.3 | 0 | 0 | 0 | 112.5 | F14 L18 L19 Y25 M194 V197 N199 | F14-L16 HydrophobicContact CE1-CD2 4.25Å; F14-L16 HydrophobicContact CZ-CD2 4.5Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L16-L19 HydrophobicContact CB-CD1 4.4Å; L16-L19 HydrophobicContact CD2-CD1 3.84Å; L16-L19 VanDerWaalsContact O-CB 3.23Å; L16-L19 WeakPolarHBondContact O-CB 3.46Å; L16-L19 VanDerWaalsContact O-CG 3.26Å; L16-L19 WeakPolarHBondContact O-CG 3.34Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-Y25 HydrophobicContact CD2-CD1 4.03Å; L16-M194 HydrophobicContact CD1-SD 4.1Å; L16-V197 HydrophobicContact CB-CB 4.46Å; L16-V197 HydrophobicContact CB-CG2 3.9Å; L16-N199 HydrophobicContact CD1-CB 3.72Å |
| 17 | L | 90.9 | Very high | 75.8 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.9 | -9.7 | 173.4 | -62.2 | 173.2 | 0 | 0 | 0 | 114.2 | S15 L19 V197 E397 C401 | S15-L17 PolarHBondContact O-N 2.71Å; S15-L17 VanDerWaalsContact O-N 3.15Å; S15-L17 PolarHBondContact OG-N 3.2Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-V197 HydrophobicContact CD2-CG1 4.24Å; L17-V197 HydrophobicContact CD2-CG2 4.28Å; L17-E397 HydrophobicContact CD1-CB 3.96Å; L17-C401 HydrophobicContact CB-CB 4.27Å; L17-C401 HydrophobicContact CD2-CB 4.41Å; L17-C401 WeakPolarHBondContact O-CB 3.39Å; L17-C401 PolarHBondContact O-SG 2.98Å; L17-C401 VanDerWaalsContact O-SG 3.39Å |
| 18 | L | 91.8 | Very high | 78.3 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -84.1 | -9 | 173.6 | -56.1 | -172.4 | 0 | 0 | 0 | 112.6 | F14 S15 L16 I56 I66 K68 I105 Y114 | F14-L18 HydrophobicContact CD2-CD1 4.08Å; S15-L18 WeakPolarHBondContact O-CB 3.34Å; S15-L18 WeakPolarHBondContact O-CG 3.47Å; S15-L18 PolarHBondContact O-N 3.01Å; S15-L18 VanDerWaalsContact O-N 3.08Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L18-I56 HydrophobicContact CB-CD1 4.43Å; L18-I66 HydrophobicContact CD1-CD1 3.91Å; L18-I66 HydrophobicContact CD1-CG2 4.32Å; L18-K68 PolarHBondContact O-NZ 2.69Å; L18-I105 HydrophobicContact CD1-CG2 4.33Å; L18-I105 HydrophobicContact CD2-CD1 4.33Å; L18-I105 HydrophobicContact CD2-CG2 3.82Å; L18-Y114 HydrophobicContact CD2-CE1 4.48Å; L18-Y114 WeakPolarHBondContact CD2-OH 3.42Å |
| 19 | L | 90.3 | Very high | 81 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.1 | 149.7 | 176.2 | -54.9 | 179.2 | 0 | 0 | 0 | 110.3 | F14 L16 L17 E23 C51 I56 | F14-L19 HydrophobicContact CZ-CD2 4.5Å; L16-L19 HydrophobicContact CB-CD1 4.4Å; L16-L19 HydrophobicContact CD2-CD1 3.84Å; L16-L19 VanDerWaalsContact O-CB 3.23Å; L16-L19 WeakPolarHBondContact O-CB 3.46Å; L16-L19 VanDerWaalsContact O-CG 3.26Å; L16-L19 WeakPolarHBondContact O-CG 3.34Å; L16-L19 PolarHBondContact O-N 3.22Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L19-E23 WeakPolarHBondContact CA-OE2 3.11Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CB-CG 4.13Å; L19-E23 HydrophobicContact CD2-CG 4.13Å; L19-C51 HydrophobicContact CD2-CB 4.08Å; L19-C51 VanDerWaalsContact CD2-SG 3.56Å; L19-I56 HydrophobicContact CD2-CD1 3.82Å |
| 20 | D | 84.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 167 | 173.3 | -59.4 | -30.8 | 0 | 0 | 0 | 110.9 | E22 E23 K68 | D20-E22 PolarHBondContact O-N 3.33Å; D20-E23 HydrophobicContact CB-CB 4.23Å; D20-E23 PolarHBondContact N-OE2 2.76Å; D20-E23 WeakPolarHBondContact O-CB 3.48Å; D20-E23 PolarHBondContact O-N 2.88Å; D20-K68 IonicContact OD1-NZ 3.88Å; D20-K68 PolarHBondContact OD1-NZ 3.39Å; D20-K68 IonicContact OD2-NZ 2.75Å; D20-K68 PolarHBondContact OD2-NZ 2.85Å |
| 21 | L | 77.1 | Confident | 85.9 | Confident | 84 Ų | 84 | 43 Ų | 43 | 44% | 0.44 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.8 | 175.8 | -169.1 | 73.4 | 0 | 0 | 0 | 110.6 | E23 R53 T544 | L21-E23 PolarHBondContact O-N 3.13Å; L21-R53 PolarHBondContact O-NH1 2.92Å; L21-T544 HydrophobicContact CD2-CG2 4.04Å |
| 22 | E | 77.8 | Confident | 88 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 29% | 0.285 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 21.9 | -173.5 | -53.5 | -170.3 | 149.2 | 0 | 0 | 115 | D20 R53 T156 | D20-E22 PolarHBondContact O-N 3.33Å; E22-R53 IonicContact OE2-NH2 3.15Å; E22-T156 VanDerWaalsContact OE2-CG2 3.24Å; E22-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E22-T156 PolarHBondContact OE2-OG1 3.37Å |
| 23 | E | 88 | Confident | 89.2 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | trans | -90.6 | 135.2 | 169.1 | -179.5 | 174.7 | -158 | 0 | 0 | 111.2 | L19 D20 L21 C51 S52 R53 S54 K68 | L19-E23 WeakPolarHBondContact CA-OE2 3.11Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CB-CG 4.13Å; L19-E23 HydrophobicContact CD2-CG 4.13Å; D20-E23 HydrophobicContact CB-CB 4.23Å; D20-E23 PolarHBondContact N-OE2 2.76Å; D20-E23 WeakPolarHBondContact O-CB 3.48Å; D20-E23 PolarHBondContact O-N 2.88Å; L21-E23 PolarHBondContact O-N 3.13Å; E23-C51 HydrophobicContact CG-CB 4.07Å; E23-C51 WeakPolarHBondContact OE1-CB 3.36Å; E23-S52 WeakPolarHBondContact CA-OG 3.44Å; E23-R53 HydrophobicContact CB-CB 4.34Å; E23-R53 HydrophobicContact CB-CG 4.43Å; E23-R53 HydrophobicContact CG-CB 3.99Å; E23-R53 HydrophobicContact CG-CG 4.45Å; E23-R53 PolarHBondContact OE1-N 2.88Å; E23-S54 WeakPolarHBondContact OE1-CA 3.43Å; E23-S54 VanDerWaalsContact OE1-CB 3.24Å; E23-S54 WeakPolarHBondContact OE1-CB 3.22Å; E23-S54 PolarHBondContact OE1-N 3.32Å; E23-S54 PolarHBondContact OE1-OG 3.17Å; E23-K68 IonicContact OE2-NZ 3.67Å; E23-K68 PolarHBondContact OE2-NZ 2.9Å | ||
| 24 | Y | 90.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | trans | -114.8 | 134.4 | 179.8 | -59.8 | -73.7 | 0 | 0 | 0 | 110.7 | C51 S52 I159 L163 P200 | Y24-C51 CarbonylContact O-C 3.46Å; Y24-C51 WeakPolarHBondContact O-CA 3.36Å; Y24-S52 PolarHBondContact N-OG 3.46Å; Y24-S52 PolarHBondContact O-N 3.46Å; Y24-I159 HydrophobicContact CD2-CG2 3.63Å; Y24-I159 HydrophobicContact CE2-CG2 3.93Å; Y24-L163 HydrophobicContact CD1-CD2 4.06Å; Y24-L163 HydrophobicContact CD2-CD2 4.07Å; Y24-L163 HydrophobicContact CE1-CD2 3.82Å; Y24-L163 HydrophobicContact CE2-CD2 3.85Å; Y24-L163 HydrophobicContact CG-CD2 4.17Å; Y24-P200 HydrophobicContact CD1-CG 3.42Å; Y24-P200 VanDerWaalsContact CD1-CG 3.42Å; Y24-P200 HydrophobicContact CE1-CG 3.7Å; Y24-P200 HydrophobicContact CG-CG 4.36Å | ||
| 25 | Y | 92.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.5 | 170.4 | 169 | -144 | 0 | 0 | 0 | 109.3 | F14 L16 E27 Q28 K49 N216 H218 | F14-Y25 AromaticContact CE1-CD1 3.96Å; F14-Y25 HydrophobicContact CE1-CD1 3.96Å; F14-Y25 HydrophobicContact CE1-CE1 4.04Å; F14-Y25 HydrophobicContact CZ-CD1 4.21Å; F14-Y25 HydrophobicContact CZ-CG 4.46Å; L16-Y25 HydrophobicContact CD2-CD1 4.03Å; Y25-E27 VanDerWaalsContact CE2-O 3.32Å; Y25-E27 WeakPolarHBondContact CE2-O 3.29Å; Y25-Q28 HydrophobicContact CE2-CB 4.34Å; Y25-Q28 WeakPolarHBondContact OH-CB 3.48Å; Y25-Q28 WeakPolarHBondContact OH-CG 3.27Å; Y25-Q28 PolarHBondContact OH-OE1 2.97Å; Y25-K49 HydrophobicContact CD2-CB 4.12Å; Y25-K49 HydrophobicContact CE1-CD 4.43Å; Y25-K49 HydrophobicContact CE2-CB 3.62Å; Y25-K49 HydrophobicContact CE2-CD 3.96Å; Y25-K49 HydrophobicContact CE2-CG 3.75Å; Y25-N216 HydrophobicContact CD1-CB 3.67Å; Y25-N216 WeakPolarHBondContact CD1-ND2 3.4Å; Y25-N216 HydrophobicContact CD2-CB 4.47Å; Y25-N216 HydrophobicContact CE1-CB 3.74Å; Y25-N216 HydrophobicContact CG-CB 4.04Å; Y25-N216 WeakPolarHBondContact O-CB 3.36Å; Y25-N216 PolarHBondContact O-ND2 3Å; Y25-N216 VanDerWaalsContact O-ND2 3.14Å; Y25-H218 HydrophobicContact CE1-CB 3.93Å |
| 26 | F | 90.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -53.2 | -174 | -66.3 | -50.6 | 0 | 0 | 0 | 113.2 | V50 L143 L163 L215 N216 | F26-V50 PolarHBondContact N-O 2.94Å; F26-L143 HydrophobicContact CD2-CD1 4.27Å; F26-L143 HydrophobicContact CE2-CD1 4.39Å; F26-L143 HydrophobicContact CE2-CD2 3.98Å; F26-L163 HydrophobicContact CE1-CB 4.24Å; F26-L163 HydrophobicContact CE1-CD1 4.03Å; F26-L215 HydrophobicContact CD1-CD2 4.4Å; F26-N216 WeakPolarHBondContact O-CA 3.48Å |
| 27 | E | 89.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.5 | -168.8 | -65 | 177 | -169.6 | 0 | 0 | 111.9 | Y25 Y29 V50 R166 | Y25-E27 VanDerWaalsContact CE2-O 3.32Å; Y25-E27 WeakPolarHBondContact CE2-O 3.29Å; E27-Y29 HydrophobicContact CB-CE2 3.98Å; E27-Y29 PolarHBondContact OE2-OH 2.96Å; E27-V50 PolarHBondContact N-O 3.04Å; E27-V50 PolarHBondContact O-N 3.1Å; E27-R166 IonicContact OE1-CZ 3.64Å; E27-R166 IonicContact OE1-NH1 2.81Å; E27-R166 PolarHBondContact OE1-NH1 2.62Å; E27-R166 IonicContact OE1-NH2 2.68Å |
| 28 | Q | 91.2 | Very high | 83.7 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.4 | 171.6 | 51.6 | 176.6 | 14.3 | 0 | 0 | 113.8 | Y25 S47 F48 K49 | Y25-Q28 HydrophobicContact CE2-CB 4.34Å; Y25-Q28 WeakPolarHBondContact OH-CB 3.48Å; Y25-Q28 WeakPolarHBondContact OH-CG 3.27Å; Y25-Q28 PolarHBondContact OH-OE1 2.97Å; Q28-S47 PolarHBondContact OE1-OG 2.76Å; Q28-F48 CarbonylContact C-O 3.58Å; Q28-F48 WeakPolarHBondContact CA-O 3.34Å; Q28-K49 HydrophobicContact CB-CG 4.25Å |
| 29 | Y | 92.6 | Very high | 81.6 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.8 | 176.6 | -60.4 | -87 | 0 | 0 | 0 | 109.2 | E27 F48 V50 L127 K132 V136 | E27-Y29 HydrophobicContact CB-CE2 3.98Å; E27-Y29 PolarHBondContact OE2-OH 2.96Å; Y29-F48 PolarHBondContact N-O 3.39Å; Y29-F48 WeakPolarHBondContact O-CB 3.43Å; Y29-F48 PolarHBondContact O-N 2.82Å; Y29-V50 HydrophobicContact CD2-CG2 4.49Å; Y29-V50 HydrophobicContact CE2-CG2 4.37Å; Y29-L127 HydrophobicContact CD1-CD1 4.43Å; Y29-L127 HydrophobicContact CG-CD1 4.38Å; Y29-K132 HydrophobicContact CE1-CB 4.4Å; Y29-K132 HydrophobicContact CE1-CD 3.87Å; Y29-V136 HydrophobicContact CD1-CG2 4.36Å; Y29-V136 HydrophobicContact CD2-CG2 4.02Å; Y29-V136 HydrophobicContact CE1-CG2 3.88Å; Y29-V136 HydrophobicContact CE2-CG2 3.53Å; Y29-V136 HydrophobicContact CG-CG2 4.42Å; Y29-V136 VanDerWaalsContact CZ-CG2 3.45Å |
| 30 | T | 93 | Very high | 79.7 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.2 | 165.5 | -48.7 | 0 | 0 | 0 | 0 | 108.8 | R45 E128 | T30-R45 HydrophobicContact CG2-CG 4.18Å; T30-E128 WeakPolarHBondContact CB-OE2 3.35Å; T30-E128 HydrophobicContact CG2-CB 4.45Å; T30-E128 WeakPolarHBondContact CG2-OE2 3.25Å; T30-E128 PolarHBondContact O-N 2.89Å |
| 31 | A | 93.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 164.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R45 G46 F48 F57 E126 L127 | A31-R45 WeakPolarHBondContact O-CA 3.38Å; A31-G46 PolarHBondContact N-O 2.8Å; A31-G46 PolarHBondContact O-N 2.97Å; A31-G46 VanDerWaalsContact O-O 3.08Å; A31-F48 HydrophobicContact CB-CB 3.63Å; A31-F48 HydrophobicContact CB-CG 4.38Å; A31-F57 HydrophobicContact CB-CE2 4.32Å; A31-E126 CarbonylContact C-O 3.53Å; A31-E126 WeakPolarHBondContact CA-O 3.32Å; A31-L127 HydrophobicContact CB-CD2 3.68Å |
| 32 | Y | 92.8 | Very high | 78.5 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 26% | 0.255 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.4 | 174.3 | -62.9 | -90.3 | 0 | 0 | 0 | 109.8 | K43 I44 R45 F125 E126 | Y32-K43 HydrophobicContact CD1-CB 4.03Å; Y32-K43 HydrophobicContact CG-CB 4.47Å; Y32-I44 CarbonylContact C-O 3.35Å; Y32-I44 VanDerWaalsContact CA-O 3.29Å; Y32-I44 WeakPolarHBondContact CA-O 3.25Å; Y32-R45 HydrophobicContact CD1-CB 3.86Å; Y32-R45 HydrophobicContact CD1-CG 4.22Å; Y32-R45 HydrophobicContact CE1-CB 3.64Å; Y32-R45 HydrophobicContact CE1-CG 3.74Å; Y32-F125 CarbonylContact O-C 3.6Å; Y32-F125 VanDerWaalsContact O-CA 3.32Å; Y32-F125 WeakPolarHBondContact O-CA 3.44Å; Y32-E126 PolarHBondContact N-O 3.13Å; Y32-E126 PolarHBondContact O-N 2.92Å |
| 33 | H | 92.3 | Very high | 79 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.6 | 170.3 | 178.1 | -138.5 | 0 | 0 | 0 | 109.9 | I44 F57 L123 T124 F125 | H33-I44 HydrophobicContact CB-CB 4.44Å; H33-I44 PolarHBondContact N-O 2.74Å; H33-I44 PolarHBondContact O-N 3.24Å; H33-F57 HydrophobicContact CB-CD1 4.09Å; H33-F57 HydrophobicContact CB-CE1 3.5Å; H33-F57 VanDerWaalsContact CB-CE1 3.5Å; H33-F57 HydrophobicContact CB-CE2 4.37Å; H33-F57 HydrophobicContact CB-CZ 3.67Å; H33-L123 VanDerWaalsContact NE2-CD2 3.27Å; H33-L123 WeakPolarHBondContact NE2-CD2 3.28Å; H33-T124 PolarHBondContact CD2-O 2.72Å; H33-F125 HydrophobicContact CB-CD1 3.93Å; H33-F125 HydrophobicContact CB-CE1 3.84Å; H33-F125 AromaticContact CD2-CE1 3.65Å; H33-F125 AromaticContact CG-CE1 3.87Å |
| 34 | V | 88.8 | Confident | 79.2 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.2 | -175.1 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | K43 T124 E126 | V34-K43 HydrophobicContact CG2-CG 4.45Å; V34-T124 HydrophobicContact CB-CG2 4.49Å; V34-T124 PolarHBondContact N-O 2.89Å; V34-E126 HydrophobicContact CG2-CG 3.94Å |
| 35 | T | 76.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | trans | -96.3 | -12.7 | -171.4 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | N42 I44 | T35-N42 PolarHBondContact N-O 3.06Å; T35-N42 WeakPolarHBondContact OG1-CB 3.47Å; T35-N42 PolarHBondContact OG1-O 2.94Å; T35-I44 HydrophobicContact CG2-CD1 3.87Å | ||
| 36 | S | 61.9 | Low | 79.4 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | trans | -142.6 | 134.7 | 177.6 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | S38 | S36-S38 PolarHBondContact O-N 2.81Å; S36-S38 PolarHBondContact OG-N 3.32Å; S36-S38 PolarHBondContact OG-OG 3.37Å | ||
| 37 | P | 51.8 | Low | 79.5 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 76% | 0.76 | 35% | 0.351 | S | S | * | . | trans | -82.5 | 8.3 | 172.7 | 31.9 | -33.1 | 0 | 0 | 0 | 114 | ||||
| 38 | S | 49.8 | Very low | 79.8 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -90.5 | 164.7 | -178.9 | 70.4 | 0 | 0 | 0 | 0 | 113 | S36 K40 E41 | S36-S38 PolarHBondContact O-N 2.81Å; S36-S38 PolarHBondContact OG-N 3.32Å; S36-S38 PolarHBondContact OG-OG 3.37Å; S38-K40 CarbonylContact O-C 3.18Å; S38-K40 VanDerWaalsContact O-C 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; S38-E41 PolarHBondContact O-N 3.29Å |
| 39 | I | 47.6 | Very low | 80 | Confident | 182 Ų | 182 | 61.5 Ų | 61.5 | 93% | 0.933 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -54.2 | -16.1 | -169.2 | -59.9 | 170.7 | 0 | 0 | 0 | 114.6 | ||
| 40 | K | 50.3 | Low | 80 | Confident | 176 Ų | 176 | 59.3 Ų | 59.3 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -108.7 | 83.8 | 165.5 | -72.4 | -176.8 | 177.8 | -178.2 | 0 | 108.7 | S38 N42 | S38-K40 CarbonylContact O-C 3.18Å; S38-K40 VanDerWaalsContact O-C 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; K40-N42 PolarHBondContact O-N 3.26Å; K40-N42 VanDerWaalsContact O-N 3.07Å |
| 41 | E | 61.1 | Low | 80.1 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | trans | -63.4 | 107.5 | 175.4 | -70.4 | -179.2 | 174.7 | 0 | 0 | 109.2 | S38 K43 R91 | S38-E41 PolarHBondContact O-N 3.29Å; E41-K43 HydrophobicContact CB-CG 4.33Å; E41-K43 PolarHBondContact O-N 2.86Å; E41-K43 WeakPolarHBondContact OE2-CE 3.33Å; E41-K43 IonicContact OE2-NZ 3.01Å; E41-K43 PolarHBondContact OE2-NZ 3.4Å; E41-R91 IonicContact OE1-NE 3.5Å; E41-R91 IonicContact OE1-NH2 3.68Å | ||
| 42 | N | 76.9 | Confident | 80.1 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | trans | -77.4 | 101.5 | 168.6 | -83.4 | -4.2 | 0 | 0 | 0 | 108.4 | T35 K40 | T35-N42 PolarHBondContact N-O 3.06Å; T35-N42 WeakPolarHBondContact OG1-CB 3.47Å; T35-N42 PolarHBondContact OG1-O 2.94Å; K40-N42 PolarHBondContact O-N 3.26Å; K40-N42 VanDerWaalsContact O-N 3.07Å | ||
| 43 | K | 87.4 | Confident | 80.1 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.2 | 176.4 | -64.1 | -168.2 | -175 | -167.9 | 0 | 109.8 | Y32 V34 E41 E126 | Y32-K43 HydrophobicContact CD1-CB 4.03Å; Y32-K43 HydrophobicContact CG-CB 4.47Å; V34-K43 HydrophobicContact CG2-CG 4.45Å; E41-K43 HydrophobicContact CB-CG 4.33Å; E41-K43 PolarHBondContact O-N 2.86Å; E41-K43 WeakPolarHBondContact OE2-CE 3.33Å; E41-K43 IonicContact OE2-NZ 3.01Å; E41-K43 PolarHBondContact OE2-NZ 3.4Å; K43-E126 WeakPolarHBondContact CE-OE2 3.13Å; K43-E126 IonicContact NZ-OE1 3.2Å; K43-E126 PolarHBondContact NZ-OE1 3.08Å; K43-E126 IonicContact NZ-OE2 2.71Å; K43-E126 PolarHBondContact NZ-OE2 3.09Å |
| 44 | I | 91.6 | Very high | 80.2 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.2 | 175.8 | -58.1 | 172.6 | 0 | 0 | 0 | 107.3 | Y32 H33 T35 F57 P59 E64 | Y32-I44 CarbonylContact C-O 3.35Å; Y32-I44 VanDerWaalsContact CA-O 3.29Å; Y32-I44 WeakPolarHBondContact CA-O 3.25Å; H33-I44 HydrophobicContact CB-CB 4.44Å; H33-I44 PolarHBondContact N-O 2.74Å; H33-I44 PolarHBondContact O-N 3.24Å; T35-I44 HydrophobicContact CG2-CD1 3.87Å; I44-F57 HydrophobicContact CG2-CE1 4.46Å; I44-F57 WeakPolarHBondContact O-CZ 3.47Å; I44-P59 HydrophobicContact CG2-CB 3.87Å; I44-P59 HydrophobicContact CG2-CG 4.48Å; I44-E64 HydrophobicContact CD1-CG 4.01Å |
| 45 | R | 93.9 | Very high | 80.6 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.1 | 175.5 | -167.9 | 177.3 | 179 | -101.8 | 5.5 | 110.4 | T30 A31 Y32 D60 E128 | T30-R45 HydrophobicContact CG2-CG 4.18Å; A31-R45 WeakPolarHBondContact O-CA 3.38Å; Y32-R45 HydrophobicContact CD1-CB 3.86Å; Y32-R45 HydrophobicContact CD1-CG 4.22Å; Y32-R45 HydrophobicContact CE1-CB 3.64Å; Y32-R45 HydrophobicContact CE1-CG 3.74Å; R45-D60 WeakPolarHBondContact CD-OD2 3.41Å; R45-D60 WeakPolarHBondContact CG-OD2 3.41Å; R45-D60 IonicContact CZ-OD2 3.69Å; R45-D60 IonicContact NE-OD2 3.77Å; R45-D60 IonicContact NH1-OD2 2.64Å; R45-D60 PolarHBondContact NH1-OD2 2.77Å; R45-D60 PolarHBondContact O-N 2.86Å; R45-E128 IonicContact NH2-OE2 3.99Å |
| 46 | G | 93.4 | Very high | 81.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -177.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A31 D58 | A31-G46 PolarHBondContact N-O 2.8Å; A31-G46 PolarHBondContact O-N 2.97Å; A31-G46 VanDerWaalsContact O-O 3.08Å; G46-D58 CarbonylContact C-O 3.5Å; G46-D58 WeakPolarHBondContact CA-O 3.39Å |
| 47 | S | 93.5 | Very high | 83.2 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.3 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | Q28 K49 F57 D58 | Q28-S47 PolarHBondContact OE1-OG 2.76Å; S47-K49 PolarHBondContact OG-NZ 2.88Å; S47-F57 WeakPolarHBondContact O-CA 3.39Å; S47-D58 PolarHBondContact N-O 2.86Å; S47-D58 PolarHBondContact O-N 2.88Å |
| 48 | F | 95 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 112.8 | 173.3 | -175 | -86 | 0 | 0 | 0 | 109.8 | Q28 Y29 A31 V50 I55 F57 I95 F125 L127 V136 L140 | Q28-F48 CarbonylContact C-O 3.58Å; Q28-F48 WeakPolarHBondContact CA-O 3.34Å; Y29-F48 PolarHBondContact N-O 3.39Å; Y29-F48 WeakPolarHBondContact O-CB 3.43Å; Y29-F48 PolarHBondContact O-N 2.82Å; A31-F48 HydrophobicContact CB-CB 3.63Å; A31-F48 HydrophobicContact CB-CG 4.38Å; F48-V50 HydrophobicContact CD1-CG2 4.25Å; F48-V50 HydrophobicContact CE1-CG2 3.9Å; F48-I55 HydrophobicContact CD2-CG2 4.21Å; F48-I55 HydrophobicContact CE1-CG2 4.12Å; F48-I55 HydrophobicContact CE2-CG2 3.45Å; F48-I55 VanDerWaalsContact CE2-CG2 3.45Å; F48-I55 HydrophobicContact CZ-CG2 3.4Å; F48-F57 HydrophobicContact CB-CD2 4.24Å; F48-F57 HydrophobicContact CD2-CD2 4.38Å; F48-I95 HydrophobicContact CE1-CD1 4.22Å; F48-I95 HydrophobicContact CZ-CD1 4.18Å; F48-F125 HydrophobicContact CD2-CB 4.14Å; F48-F125 AromaticContact CD2-CD1 3.93Å; F48-F125 HydrophobicContact CD2-CD1 3.93Å; F48-F125 HydrophobicContact CD2-CD2 4.21Å; F48-F125 HydrophobicContact CD2-CE1 4.38Å; F48-F125 AromaticContact CD2-CG 3.83Å; F48-F125 HydrophobicContact CD2-CG 3.83Å; F48-F125 HydrophobicContact CE2-CB 4.13Å; F48-F125 HydrophobicContact CE2-CD1 4.21Å; F48-F125 AromaticContact CE2-CD2 3.65Å; F48-F125 HydrophobicContact CE2-CD2 3.65Å; F48-F125 HydrophobicContact CE2-CE2 4.05Å; F48-F125 AromaticContact CE2-CG 3.73Å; F48-F125 HydrophobicContact CE2-CG 3.73Å; F48-F125 HydrophobicContact CE2-CZ 4.49Å; F48-L127 HydrophobicContact CB-CD2 4.49Å; F48-L127 HydrophobicContact CD1-CD2 4.39Å; F48-L127 HydrophobicContact CG-CD2 4.42Å; F48-V136 HydrophobicContact CE1-CG1 4.13Å; F48-L140 HydrophobicContact CE1-CD1 4.24Å; F48-L140 HydrophobicContact CZ-CD1 4.06Å |
| 49 | K | 95.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.4 | -174.1 | -60.4 | -177.6 | 174.2 | 69.2 | 0 | 110.3 | F14 Y25 Q28 S47 I56 D58 | F14-K49 HydrophobicContact CD1-CD 3.94Å; F14-K49 VanDerWaalsContact CD1-CE 3.46Å; F14-K49 HydrophobicContact CD2-CD 3.67Å; F14-K49 HydrophobicContact CE1-CD 3.89Å; F14-K49 HydrophobicContact CE2-CD 3.64Å; F14-K49 HydrophobicContact CG-CD 3.82Å; F14-K49 VanDerWaalsContact CG-CE 3.42Å; F14-K49 HydrophobicContact CZ-CD 3.75Å; Y25-K49 HydrophobicContact CD2-CB 4.12Å; Y25-K49 HydrophobicContact CE1-CD 4.43Å; Y25-K49 HydrophobicContact CE2-CB 3.62Å; Y25-K49 HydrophobicContact CE2-CD 3.96Å; Y25-K49 HydrophobicContact CE2-CG 3.75Å; Q28-K49 HydrophobicContact CB-CG 4.25Å; S47-K49 PolarHBondContact OG-NZ 2.88Å; K49-I56 WeakPolarHBondContact CA-O 3.49Å; K49-I56 HydrophobicContact CB-CB 4.22Å; K49-I56 WeakPolarHBondContact CB-O 3.47Å; K49-I56 PolarHBondContact N-O 2.88Å; K49-I56 PolarHBondContact O-N 3.45Å; K49-D58 IonicContact NZ-OD2 3.95Å |
| 50 | V | 94.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 112.9 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | F26 E27 Y29 F48 V136 T139 L140 L143 | F26-V50 PolarHBondContact N-O 2.94Å; E27-V50 PolarHBondContact N-O 3.04Å; E27-V50 PolarHBondContact O-N 3.1Å; Y29-V50 HydrophobicContact CD2-CG2 4.49Å; Y29-V50 HydrophobicContact CE2-CG2 4.37Å; F48-V50 HydrophobicContact CD1-CG2 4.25Å; F48-V50 HydrophobicContact CE1-CG2 3.9Å; V50-V136 HydrophobicContact CG2-CG1 4.11Å; V50-T139 HydrophobicContact CG1-CG2 4.35Å; V50-L140 HydrophobicContact CG1-CD2 3.84Å; V50-L140 HydrophobicContact CG2-CD2 4.22Å; V50-L143 HydrophobicContact CG1-CD1 3.77Å |
| 51 | C | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 163.1 | 178.2 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | L19 E23 Y24 R53 S54 L143 | L19-C51 HydrophobicContact CD2-CB 4.08Å; L19-C51 VanDerWaalsContact CD2-SG 3.56Å; E23-C51 HydrophobicContact CG-CB 4.07Å; E23-C51 WeakPolarHBondContact OE1-CB 3.36Å; Y24-C51 CarbonylContact O-C 3.46Å; Y24-C51 WeakPolarHBondContact O-CA 3.36Å; C51-R53 VanDerWaalsContact C-N 3.25Å; C51-R53 PolarHBondContact O-N 3.48Å; C51-S54 CarbonylContact C-O 3.57Å; C51-S54 WeakPolarHBondContact CA-O 3.33Å; C51-S54 VanDerWaalsContact CB-O 3.24Å; C51-S54 WeakPolarHBondContact CB-O 3.41Å; C51-S54 PolarHBondContact N-O 3.08Å; C51-S54 VanDerWaalsContact N-O 3.07Å; C51-L143 WeakPolarHBondContact O-CD1 3.32Å |
| 52 | S | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -67 | -24.6 | -173.9 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | E23 Y24 | E23-S52 WeakPolarHBondContact CA-OG 3.44Å; Y24-S52 PolarHBondContact N-OG 3.46Å; Y24-S52 PolarHBondContact O-N 3.46Å |
| 53 | R | 92.4 | Very high | 92.8 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -123.8 | -14.6 | -178.9 | -66.4 | -174.8 | 171.4 | 172.3 | 2.4 | 114.1 | L21 E22 E23 C51 L71 T156 I159 | L21-R53 PolarHBondContact O-NH1 2.92Å; E22-R53 IonicContact OE2-NH2 3.15Å; E23-R53 HydrophobicContact CB-CB 4.34Å; E23-R53 HydrophobicContact CB-CG 4.43Å; E23-R53 HydrophobicContact CG-CB 3.99Å; E23-R53 HydrophobicContact CG-CG 4.45Å; E23-R53 PolarHBondContact OE1-N 2.88Å; C51-R53 VanDerWaalsContact C-N 3.25Å; C51-R53 PolarHBondContact O-N 3.48Å; R53-L71 VanDerWaalsContact O-CB 3.27Å; R53-L71 WeakPolarHBondContact O-CB 3.49Å; R53-L71 WeakPolarHBondContact O-CG 3.41Å; R53-L71 PolarHBondContact O-N 2.87Å; R53-T156 PolarHBondContact NH2-OG1 3.12Å; R53-I159 HydrophobicContact CG-CD1 3.81Å |
| 54 | S | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 165.2 | -178.3 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | E23 C51 K68 I69 | E23-S54 WeakPolarHBondContact OE1-CA 3.43Å; E23-S54 VanDerWaalsContact OE1-CB 3.24Å; E23-S54 WeakPolarHBondContact OE1-CB 3.22Å; E23-S54 PolarHBondContact OE1-N 3.32Å; E23-S54 PolarHBondContact OE1-OG 3.17Å; C51-S54 CarbonylContact C-O 3.57Å; C51-S54 WeakPolarHBondContact CA-O 3.33Å; C51-S54 VanDerWaalsContact CB-O 3.24Å; C51-S54 WeakPolarHBondContact CB-O 3.41Å; C51-S54 PolarHBondContact N-O 3.08Å; C51-S54 VanDerWaalsContact N-O 3.07Å; S54-K68 WeakPolarHBondContact OG-CE 3.39Å; S54-I69 CarbonylContact C-O 3.54Å; S54-I69 VanDerWaalsContact CA-O 3.24Å; S54-I69 WeakPolarHBondContact CA-O 3.46Å; S54-I69 WeakPolarHBondContact CB-O 3.43Å |
| 55 | I | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.8 | 166.8 | -57.2 | 171.3 | 0 | 0 | 0 | 106.7 | F48 K68 I69 L71 V97 L140 | F48-I55 HydrophobicContact CD2-CG2 4.21Å; F48-I55 HydrophobicContact CE1-CG2 4.12Å; F48-I55 HydrophobicContact CE2-CG2 3.45Å; F48-I55 VanDerWaalsContact CE2-CG2 3.45Å; F48-I55 HydrophobicContact CZ-CG2 3.4Å; I55-K68 CarbonylContact O-C 3.54Å; I55-K68 WeakPolarHBondContact O-CA 3.45Å; I55-I69 HydrophobicContact CB-CB 4.25Å; I55-I69 HydrophobicContact CB-CD1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 4.46Å; I55-I69 PolarHBondContact N-O 3.21Å; I55-I69 PolarHBondContact O-N 2.95Å; I55-L71 HydrophobicContact CD1-CD2 3.9Å; I55-L71 HydrophobicContact CG1-CD2 3.78Å; I55-V97 HydrophobicContact CD1-CG1 4.39Å; I55-V97 HydrophobicContact CD1-CG2 3.92Å; I55-L140 HydrophobicContact CD1-CD1 4.02Å; I55-L140 HydrophobicContact CD1-CD2 3.8Å; I55-L140 HydrophobicContact CD1-CG 4.49Å; I55-L140 HydrophobicContact CG1-CD2 3.66Å |
| 56 | I | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124 | 178 | -61.4 | 176.5 | 0 | 0 | 0 | 109.3 | F14 L18 L19 K49 I66 I67 K68 | F14-I56 HydrophobicContact CD2-CG2 4.04Å; F14-I56 HydrophobicContact CE2-CD1 3.84Å; F14-I56 HydrophobicContact CE2-CG2 4.08Å; L18-I56 HydrophobicContact CB-CD1 4.43Å; L19-I56 HydrophobicContact CD2-CD1 3.82Å; K49-I56 WeakPolarHBondContact CA-O 3.49Å; K49-I56 HydrophobicContact CB-CB 4.22Å; K49-I56 WeakPolarHBondContact CB-O 3.47Å; K49-I56 PolarHBondContact N-O 2.88Å; K49-I56 PolarHBondContact O-N 3.45Å; I56-I66 HydrophobicContact CG2-CG2 3.66Å; I56-I67 CarbonylContact C-O 3.54Å; I56-I67 WeakPolarHBondContact CA-O 3.37Å; I56-K68 HydrophobicContact CD1-CD 4.43Å; I56-K68 HydrophobicContact CD1-CG 4.48Å; I56-K68 HydrophobicContact CG1-CB 4.17Å; I56-K68 HydrophobicContact CG1-CG 4.05Å |
| 57 | F | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 119.4 | 171.7 | -179.5 | -102.5 | 0 | 0 | 0 | 109.7 | A31 H33 I44 S47 F48 P59 I66 I67 F125 | A31-F57 HydrophobicContact CB-CE2 4.32Å; H33-F57 HydrophobicContact CB-CD1 4.09Å; H33-F57 HydrophobicContact CB-CE1 3.5Å; H33-F57 VanDerWaalsContact CB-CE1 3.5Å; H33-F57 HydrophobicContact CB-CE2 4.37Å; H33-F57 HydrophobicContact CB-CZ 3.67Å; I44-F57 HydrophobicContact CG2-CE1 4.46Å; I44-F57 WeakPolarHBondContact O-CZ 3.47Å; S47-F57 WeakPolarHBondContact O-CA 3.39Å; F48-F57 HydrophobicContact CB-CD2 4.24Å; F48-F57 HydrophobicContact CD2-CD2 4.38Å; F57-P59 HydrophobicContact CD1-CG 4.08Å; F57-P59 HydrophobicContact CE1-CB 4.32Å; F57-P59 HydrophobicContact CE1-CG 3.85Å; F57-P59 WeakPolarHBondContact O-CD 3.16Å; F57-I66 WeakPolarHBondContact O-CA 3.15Å; F57-I67 HydrophobicContact CB-CB 4.3Å; F57-I67 HydrophobicContact CD1-CD1 4.21Å; F57-I67 PolarHBondContact N-O 2.94Å; F57-I67 PolarHBondContact O-N 2.83Å; F57-F125 HydrophobicContact CB-CE1 3.78Å; F57-F125 HydrophobicContact CB-CZ 4.26Å; F57-F125 HydrophobicContact CD1-CE1 4.06Å; F57-F125 AromaticContact CD2-CD1 3.94Å; F57-F125 HydrophobicContact CD2-CD1 3.94Å; F57-F125 AromaticContact CD2-CE1 3.83Å; F57-F125 HydrophobicContact CD2-CE1 3.83Å; F57-F125 HydrophobicContact CE2-CD1 4.3Å; F57-F125 HydrophobicContact CE2-CE1 4.45Å; F57-F125 HydrophobicContact CG-CD1 4.21Å; F57-F125 AromaticContact CG-CE1 3.6Å; F57-F125 HydrophobicContact CG-CE1 3.6Å |
| 58 | D | 94.5 | Very high | 93.4 | Very high | 15 Ų | 15 | 22 Ų | 22 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 102.8 | 179.8 | -177.6 | 16.6 | 0 | 0 | 0 | 109.7 | F14 G46 S47 K49 I66 | F14-D58 WeakPolarHBondContact CB-OD2 3.49Å; F14-D58 PolarHBondContact N-OD2 2.95Å; G46-D58 CarbonylContact C-O 3.5Å; G46-D58 WeakPolarHBondContact CA-O 3.39Å; S47-D58 PolarHBondContact N-O 2.86Å; S47-D58 PolarHBondContact O-N 2.88Å; K49-D58 IonicContact NZ-OD2 3.95Å; D58-I66 HydrophobicContact CB-CG1 4.38Å; D58-I66 WeakPolarHBondContact OD1-CG1 3.33Å |
| 59 | P | 93.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 142.1 | 178.5 | -20.3 | 31.8 | 0 | 0 | 0 | 112.9 | I44 F57 G61 E64 P65 | I44-P59 HydrophobicContact CG2-CB 3.87Å; I44-P59 HydrophobicContact CG2-CG 4.48Å; F57-P59 HydrophobicContact CD1-CG 4.08Å; F57-P59 HydrophobicContact CE1-CB 4.32Å; F57-P59 HydrophobicContact CE1-CG 3.85Å; F57-P59 WeakPolarHBondContact O-CD 3.16Å; P59-G61 PolarHBondContact O-N 2.83Å; P59-E64 HydrophobicContact CB-CB 3.98Å; P59-E64 HydrophobicContact CG-CB 3.9Å; P59-P65 WeakPolarHBondContact CD-O 3.45Å; P59-P65 WeakPolarHBondContact CG-O 3.35Å |
| 60 | D | 90.5 | Very high | 93.5 | Very high | 90 Ų | 90 | 22.4 Ų | 22.4 | 48% | 0.481 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -62.2 | -30.7 | 175.9 | -69.9 | -12.6 | 0 | 0 | 0 | 111.9 | R45 | R45-D60 WeakPolarHBondContact CD-OD2 3.41Å; R45-D60 WeakPolarHBondContact CG-OD2 3.41Å; R45-D60 IonicContact CZ-OD2 3.69Å; R45-D60 IonicContact NE-OD2 3.77Å; R45-D60 IonicContact NH1-OD2 2.64Å; R45-D60 PolarHBondContact NH1-OD2 2.77Å; R45-D60 PolarHBondContact O-N 2.86Å |
| 61 | G | 86.6 | Confident | 93.5 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 40% | 0.402 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -82.4 | 134.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R13 P59 A63 | R13-G61 PolarHBondContact NH1-O 2.84Å; P59-G61 PolarHBondContact O-N 2.83Å; G61-A63 VanDerWaalsContact C-N 3.31Å; G61-A63 PolarHBondContact O-N 3.22Å |
| 62 | L | 86.3 | Confident | 93.3 | Very high | 98 Ų | 98 | 30.8 Ų | 30.8 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -69.2 | -24.6 | -177.6 | -57.6 | -176.1 | 0 | 0 | 0 | 114.3 | R13 S108 N109 | R13-L62 HydrophobicContact CG-CD2 4.09Å; L62-S108 CarbonylContact O-C 3.56Å; L62-S108 WeakPolarHBondContact O-CA 3.48Å; L62-S108 PolarHBondContact O-N 3.07Å; L62-N109 PolarHBondContact O-N 3.19Å |
| 63 | A | 88.4 | Confident | 93.4 | Very high | 52 Ų | 52 | 33 Ų | 33 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -64.5 | -44.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G61 S108 | G61-A63 VanDerWaalsContact C-N 3.31Å; G61-A63 PolarHBondContact O-N 3.22Å; A63-S108 PolarHBondContact O-N 3.15Å; A63-S108 VanDerWaalsContact O-N 3.08Å |
| 64 | E | 90.3 | Very high | 93.5 | Very high | 85 Ų | 85 | 31.3 Ų | 31.3 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -79 | 140.4 | -172.5 | -77.7 | 24.5 | 122.3 | 0 | 0 | 111.5 | R13 I44 P59 | R13-E64 VanDerWaalsContact CZ-O 3.28Å; R13-E64 PolarHBondContact NH1-O 2.89Å; R13-E64 PolarHBondContact NH2-O 3Å; I44-E64 HydrophobicContact CD1-CG 4.01Å; P59-E64 HydrophobicContact CB-CB 3.98Å; P59-E64 HydrophobicContact CG-CB 3.9Å |
| 65 | P | 93.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -70 | 151 | 178.1 | 29 | -35 | 0 | 0 | 0 | 112.1 | P59 F104 I105 E107 | P59-P65 WeakPolarHBondContact CD-O 3.45Å; P59-P65 WeakPolarHBondContact CG-O 3.35Å; P65-F104 HydrophobicContact CB-CB 3.92Å; P65-F104 HydrophobicContact CB-CD1 3.99Å; P65-F104 HydrophobicContact CB-CG 4.42Å; P65-F104 HydrophobicContact CG-CB 4.23Å; P65-F104 HydrophobicContact CG-CD1 3.51Å; P65-F104 HydrophobicContact CG-CE1 4.27Å; P65-F104 HydrophobicContact CG-CG 4.23Å; P65-I105 WeakPolarHBondContact CA-O 3.49Å; P65-E107 HydrophobicContact CB-CB 4.1Å; P65-E107 HydrophobicContact CB-CG 4.43Å |
| 66 | I | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 135.1 | 162.2 | -62.3 | 173.4 | 0 | 0 | 0 | 107.8 | R13 L18 I56 F57 D58 F104 I105 K106 | R13-I66 HydrophobicContact CB-CD1 4.05Å; L18-I66 HydrophobicContact CD1-CD1 3.91Å; L18-I66 HydrophobicContact CD1-CG2 4.32Å; I56-I66 HydrophobicContact CG2-CG2 3.66Å; F57-I66 WeakPolarHBondContact O-CA 3.15Å; D58-I66 HydrophobicContact CB-CG1 4.38Å; D58-I66 WeakPolarHBondContact OD1-CG1 3.33Å; I66-F104 WeakPolarHBondContact O-CA 3.2Å; I66-I105 HydrophobicContact CB-CB 4.16Å; I66-I105 PolarHBondContact N-O 2.76Å; I66-I105 PolarHBondContact O-N 2.81Å; I66-K106 HydrophobicContact CD1-CD 4.38Å |
| 67 | I | 95.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.7 | -178.8 | -53.3 | 178.7 | 0 | 0 | 0 | 108.2 | I56 F57 I69 V102 F104 L123 | I56-I67 CarbonylContact C-O 3.54Å; I56-I67 WeakPolarHBondContact CA-O 3.37Å; F57-I67 HydrophobicContact CB-CB 4.3Å; F57-I67 HydrophobicContact CD1-CD1 4.21Å; F57-I67 PolarHBondContact N-O 2.94Å; F57-I67 PolarHBondContact O-N 2.83Å; I67-I69 HydrophobicContact CG2-CG1 4.09Å; I67-V102 HydrophobicContact CG2-CG1 3.49Å; I67-V102 VanDerWaalsContact CG2-CG1 3.49Å; I67-F104 HydrophobicContact CD1-CE1 4.37Å; I67-F104 HydrophobicContact CG1-CD1 4.16Å; I67-F104 HydrophobicContact CG1-CE1 4.01Å; I67-L123 HydrophobicContact CG2-CD1 4.24Å |
| 68 | K | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.5 | 170.4 | 176.1 | 176.1 | -174.1 | 171.8 | 0 | 109.5 | L18 D20 E23 S54 I55 I56 I103 I105 | L18-K68 PolarHBondContact O-NZ 2.69Å; D20-K68 IonicContact OD1-NZ 3.88Å; D20-K68 PolarHBondContact OD1-NZ 3.39Å; D20-K68 IonicContact OD2-NZ 2.75Å; D20-K68 PolarHBondContact OD2-NZ 2.85Å; E23-K68 IonicContact OE2-NZ 3.67Å; E23-K68 PolarHBondContact OE2-NZ 2.9Å; S54-K68 WeakPolarHBondContact OG-CE 3.39Å; I55-K68 CarbonylContact O-C 3.54Å; I55-K68 WeakPolarHBondContact O-CA 3.45Å; I56-K68 HydrophobicContact CD1-CD 4.43Å; I56-K68 HydrophobicContact CD1-CG 4.48Å; I56-K68 HydrophobicContact CG1-CB 4.17Å; I56-K68 HydrophobicContact CG1-CG 4.05Å; K68-I103 HydrophobicContact CB-CB 4.13Å; K68-I103 HydrophobicContact CD-CD1 4.5Å; K68-I103 PolarHBondContact N-O 2.88Å; K68-I103 PolarHBondContact O-N 2.86Å; K68-I105 HydrophobicContact CB-CD1 3.95Å; K68-I105 HydrophobicContact CD-CD1 4.4Å |
| 69 | I | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.5 | 179.4 | -48.5 | 165.6 | 0 | 0 | 0 | 107.8 | S54 I55 I67 L71 V97 C99 L123 F125 | S54-I69 CarbonylContact C-O 3.54Å; S54-I69 VanDerWaalsContact CA-O 3.24Å; S54-I69 WeakPolarHBondContact CA-O 3.46Å; S54-I69 WeakPolarHBondContact CB-O 3.43Å; I55-I69 HydrophobicContact CB-CB 4.25Å; I55-I69 HydrophobicContact CB-CD1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 4.46Å; I55-I69 PolarHBondContact N-O 3.21Å; I55-I69 PolarHBondContact O-N 2.95Å; I67-I69 HydrophobicContact CG2-CG1 4.09Å; I69-L71 PolarHBondContact O-N 2.78Å; I69-V97 HydrophobicContact CD1-CG1 4.35Å; I69-V97 HydrophobicContact CG2-CG1 4.1Å; I69-C99 HydrophobicContact CG2-CB 3.89Å; I69-L123 HydrophobicContact CD1-CD1 3.4Å; I69-L123 VanDerWaalsContact CD1-CD1 3.4Å; I69-L123 HydrophobicContact CG1-CD1 3.82Å; I69-F125 HydrophobicContact CD1-CE2 4.12Å; I69-F125 HydrophobicContact CD1-CZ 4.24Å |
| 70 | P | 95.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128.1 | 174.6 | -19.8 | 32.8 | 0 | 0 | 0 | 110.6 | R72 D73 I103 | P70-R72 VanDerWaalsContact C-N 3.25Å; P70-R72 PolarHBondContact O-N 3.38Å; P70-D73 HydrophobicContact CB-CB 4.37Å; P70-D73 PolarHBondContact O-N 2.64Å; P70-D73 VanDerWaalsContact O-N 3.12Å; P70-I103 HydrophobicContact CG-CD1 3.99Å |
| 71 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -62.7 | -35.6 | -179.1 | -71.7 | 173.7 | 0 | 0 | 0 | 111.5 | R53 I55 I69 D73 C74 I77 L140 L143 H144 | R53-L71 VanDerWaalsContact O-CB 3.27Å; R53-L71 WeakPolarHBondContact O-CB 3.49Å; R53-L71 WeakPolarHBondContact O-CG 3.41Å; R53-L71 PolarHBondContact O-N 2.87Å; I55-L71 HydrophobicContact CD1-CD2 3.9Å; I55-L71 HydrophobicContact CG1-CD2 3.78Å; I69-L71 PolarHBondContact O-N 2.78Å; L71-D73 PolarHBondContact O-N 2.79Å; L71-D73 VanDerWaalsContact O-N 3.17Å; L71-C74 WeakPolarHBondContact O-CB 3.49Å; L71-C74 PolarHBondContact O-N 3.03Å; L71-I77 HydrophobicContact CD2-CD1 3.99Å; L71-L140 HydrophobicContact CD2-CD2 4.42Å; L71-L143 HydrophobicContact CD1-CB 3.58Å; L71-H144 PolarHBondContact O-CD2 2.82Å |
| 72 | R | 92.3 | Very high | 90.7 | Very high | 177 Ų | 177 | 57.1 Ų | 57.1 | 67% | 0.668 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -58.3 | -29.7 | 177.1 | -172.7 | 177.5 | -177.5 | -179.8 | 4.4 | 113 | P70 S147 | P70-R72 VanDerWaalsContact C-N 3.25Å; P70-R72 PolarHBondContact O-N 3.38Å; R72-S147 PolarHBondContact N-OG 3.2Å |
| 73 | D | 93.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -92 | 0.9 | -179.4 | -59.4 | -28.8 | 0 | 0 | 0 | 112.4 | P70 L71 C99 E100 Q101 | P70-D73 HydrophobicContact CB-CB 4.37Å; P70-D73 PolarHBondContact O-N 2.64Å; P70-D73 VanDerWaalsContact O-N 3.12Å; L71-D73 PolarHBondContact O-N 2.79Å; L71-D73 VanDerWaalsContact O-N 3.17Å; D73-C99 CarbonylContact O-C 3.56Å; D73-C99 WeakPolarHBondContact O-CA 3.44Å; D73-C99 WeakPolarHBondContact O-CB 3.35Å; D73-E100 PolarHBondContact O-N 2.83Å; D73-Q101 HydrophobicContact CB-CB 4.2Å; D73-Q101 WeakPolarHBondContact OD2-CB 3.24Å |
| 74 | C | 94.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124.3 | 174 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | L71 I77 V97 S98 H144 | L71-C74 WeakPolarHBondContact O-CB 3.49Å; L71-C74 PolarHBondContact O-N 3.03Å; C74-I77 HydrophobicContact CB-CD1 4.22Å; C74-I77 HydrophobicContact CB-CG1 4.21Å; C74-V97 VanDerWaalsContact SG-CG1 3.58Å; C74-S98 CarbonylContact C-O 3.41Å; C74-S98 WeakPolarHBondContact CA-O 3.34Å; C74-H144 PolarHBondContact O-NE2 3.37Å |
| 75 | Q | 93.1 | Very high | 86.3 | Confident | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -37.8 | 171.5 | -63.8 | 179.4 | -23.7 | 0 | 0 | 111.2 | S98 E100 | Q75-S98 PolarHBondContact N-O 2.94Å; Q75-E100 HydrophobicContact CG-CG 4.02Å; Q75-E100 VanDerWaalsContact NE2-CG 3.28Å; Q75-E100 PolarHBondContact NE2-OE1 2.89Å |
| 76 | R | 92.8 | Very high | 84.6 | Confident | 148 Ų | 148 | 65.8 Ų | 65.8 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 133.7 | -176.8 | -156.2 | 176.7 | 174 | 165.1 | -14 | 111.3 | E78 S98 | R76-E78 VanDerWaalsContact CD-CD 3.49Å; R76-E78 WeakPolarHBondContact CD-OE2 3.39Å; R76-E78 HydrophobicContact CG-CG 3.66Å; R76-E78 IonicContact CZ-OE1 3.37Å; R76-E78 IonicContact CZ-OE2 2.74Å; R76-E78 IonicContact NE-OE1 2.76Å; R76-E78 PolarHBondContact NE-OE1 3.21Å; R76-E78 IonicContact NE-OE2 2.98Å; R76-E78 PolarHBondContact NE-OE2 2.75Å; R76-E78 IonicContact NH2-OE1 3.46Å; R76-E78 PolarHBondContact NH2-OE1 3.28Å; R76-S98 PolarHBondContact N-O 3.45Å; R76-S98 PolarHBondContact O-N 2.86Å |
| 77 | I | 95.1 | Very high | 82.8 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.8 | 171.6 | -60.3 | 164.6 | 0 | 0 | 0 | 106.7 | L71 C74 T96 V97 V137 L140 L141 H144 | L71-I77 HydrophobicContact CD2-CD1 3.99Å; C74-I77 HydrophobicContact CB-CD1 4.22Å; C74-I77 HydrophobicContact CB-CG1 4.21Å; I77-T96 WeakPolarHBondContact CA-O 3.35Å; I77-V97 HydrophobicContact CG1-CG1 4.32Å; I77-V137 HydrophobicContact CG2-CG1 4.39Å; I77-L140 HydrophobicContact CD1-CB 4.3Å; I77-L140 HydrophobicContact CG2-CB 4.14Å; I77-L140 HydrophobicContact CG2-CD1 4.35Å; I77-L141 HydrophobicContact CB-CD2 4.11Å; I77-H144 HydrophobicContact CD1-CB 3.84Å |
| 78 | E | 93.1 | Very high | 81 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.1 | -171.8 | -55.4 | -170.6 | 90 | 0 | 0 | 112.1 | R76 T96 | R76-E78 VanDerWaalsContact CD-CD 3.49Å; R76-E78 WeakPolarHBondContact CD-OE2 3.39Å; R76-E78 HydrophobicContact CG-CG 3.66Å; R76-E78 IonicContact CZ-OE1 3.37Å; R76-E78 IonicContact CZ-OE2 2.74Å; R76-E78 IonicContact NE-OE1 2.76Å; R76-E78 PolarHBondContact NE-OE1 3.21Å; R76-E78 IonicContact NE-OE2 2.98Å; R76-E78 PolarHBondContact NE-OE2 2.75Å; R76-E78 IonicContact NH2-OE1 3.46Å; R76-E78 PolarHBondContact NH2-OE1 3.28Å; E78-T96 PolarHBondContact N-O 2.87Å; E78-T96 PolarHBondContact O-N 2.87Å |
| 79 | F | 91.1 | Very high | 79.2 | Confident | 61 Ų | 61 | 87.2 Ų | 87.2 | 27% | 0.268 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.4 | 160.7 | 177 | -111.5 | 0 | 0 | 0 | 108.3 | E81 P93 T133 E134 V137 | F79-E81 HydrophobicContact CD1-CG 3.93Å; F79-E81 HydrophobicContact CE1-CB 4.42Å; F79-E81 HydrophobicContact CE1-CG 3.44Å; F79-E81 VanDerWaalsContact CE1-CG 3.44Å; F79-E81 HydrophobicContact CZ-CG 4.37Å; F79-P93 HydrophobicContact CE2-CB 3.68Å; F79-P93 HydrophobicContact CZ-CB 3.94Å; F79-T133 HydrophobicContact CD2-CG2 3.96Å; F79-T133 HydrophobicContact CE2-CG2 3.91Å; F79-E134 HydrophobicContact CD2-CB 4.23Å; F79-E134 HydrophobicContact CE2-CB 4.08Å; F79-E134 HydrophobicContact CZ-CB 4.28Å; F79-V137 HydrophobicContact CB-CB 4.27Å; F79-V137 HydrophobicContact CB-CG1 4.07Å; F79-V137 HydrophobicContact CB-CG2 4.05Å; F79-V137 HydrophobicContact CD2-CG2 4.48Å |
| 80 | V | 84.4 | Confident | 77.5 | Confident | 63 Ų | 63 | 91.3 Ų | 91.3 | 38% | 0.382 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.7 | 173.7 | -178 | 0 | 0 | 0 | 0 | 107.6 | P93 A94 T96 | V80-P93 WeakPolarHBondContact O-CA 3.44Å; V80-A94 HydrophobicContact CB-CB 4.42Å; V80-A94 PolarHBondContact N-O 2.82Å; V80-A94 PolarHBondContact O-N 2.69Å; V80-A94 VanDerWaalsContact O-N 3.07Å; V80-T96 VanDerWaalsContact CG2-OG1 3.32Å; V80-T96 WeakPolarHBondContact CG2-OG1 3.45Å |
| 81 | E | 75.3 | Confident | 76.2 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | trans | -63.1 | 155 | 177.9 | -82.6 | -178.8 | -173.2 | 0 | 0 | 112.3 | F79 E83 | F79-E81 HydrophobicContact CD1-CG 3.93Å; F79-E81 HydrophobicContact CE1-CB 4.42Å; F79-E81 HydrophobicContact CE1-CG 3.44Å; F79-E81 VanDerWaalsContact CE1-CG 3.44Å; F79-E81 HydrophobicContact CZ-CG 4.37Å; E81-E83 PolarHBondContact O-N 2.87Å; E81-E83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | K | 66.5 | Low | 75.4 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | trans | -58.3 | 111.1 | 173.6 | 177.1 | 167.9 | -170 | -179.2 | 0 | 110.3 | N84 R91 | K82-N84 PolarHBondContact O-N 2.76Å; K82-R91 WeakPolarHBondContact CA-O 3.21Å; K82-R91 WeakPolarHBondContact CG-O 3.4Å | ||
| 83 | E | 60.9 | Low | 75.1 | Confident | 107 Ų | 107 | 88.3 Ų | 88.3 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | trans | -66.8 | 100.3 | 170.7 | -80.8 | -173.7 | 148.8 | 0 | 0 | 109.5 | E81 N85 R91 | E81-E83 PolarHBondContact O-N 2.87Å; E81-E83 VanDerWaalsContact O-N 3.1Å; E83-N85 PolarHBondContact O-N 3.48Å; E83-N85 VanDerWaalsContact O-N 3.11Å; E83-R91 IonicContact OE2-NH1 3.34Å; E83-R91 PolarHBondContact OE2-NH1 3.32Å | ||
| 84 | N | 53.2 | Low | 74.9 | Confident | 131 Ų | 131 | 86.4 Ų | 86.4 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | trans | -82.6 | 58.9 | 169.8 | -88.3 | -13.1 | 0 | 0 | 0 | 110.3 | K82 P86 | K82-N84 PolarHBondContact O-N 2.76Å; N84-P86 WeakPolarHBondContact O-CD 3.4Å | ||
| 85 | N | 59.7 | Low | 74.8 | Confident | 78 Ų | 78 | 86 Ų | 86 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | trans | -85.3 | 116.6 | 172.3 | -164.3 | -11.4 | 0 | 0 | 0 | 108.9 | E83 F87 N88 | E83-N85 PolarHBondContact O-N 3.48Å; E83-N85 VanDerWaalsContact O-N 3.11Å; N85-F87 PolarHBondContact O-N 2.97Å; N85-N88 HydrophobicContact CB-CB 4.4Å; N85-N88 PolarHBondContact O-N 3.23Å; N85-N88 VanDerWaalsContact O-N 3.12Å; N85-N88 VanDerWaalsContact O-O 3.09Å | ||
| 86 | P | 57.3 | Low | 74.9 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -5.4 | -174.5 | 22.6 | -32.4 | 0 | 0 | 0 | 115.1 | N84 | N84-P86 WeakPolarHBondContact O-CD 3.4Š|
| 87 | F | 57.8 | Low | 75 | Confident | 186 Ų | 186 | 74.3 Ų | 74.3 | 82% | 0.816 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -7.4 | 178.9 | -62.5 | -79.6 | 0 | 0 | 0 | 114.5 | N85 | N85-F87 PolarHBondContact O-N 2.97Š|
| 88 | N | 57.9 | Low | 75 | Confident | 99 Ų | 99 | 74.8 Ų | 74.8 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -117.9 | 156 | 176.2 | -81.1 | -10.8 | 0 | 0 | 0 | 110.3 | N85 | N85-N88 HydrophobicContact CB-CB 4.4Å; N85-N88 PolarHBondContact O-N 3.23Å; N85-N88 VanDerWaalsContact O-N 3.12Å; N85-N88 VanDerWaalsContact O-O 3.09Å |
| 89 | E | 57.9 | Low | 75.1 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | trans | -59.2 | 136.5 | 170 | -73.3 | -173.5 | 168.8 | 0 | 0 | 110.2 | R91 | E89-R91 PolarHBondContact O-N 2.9Å; E89-R91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | P | 61.1 | Low | 75.3 | Confident | 86 Ų | 86 | 74.2 Ų | 74.2 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | trans | -64.2 | 114.7 | -178.1 | 24.4 | -32.2 | 0 | 0 | 0 | 110.2 | ||||
| 91 | R | 68.3 | Low | 75.7 | Confident | 99 Ų | 99 | 72.7 Ų | 72.7 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 131.1 | 175.2 | -75.1 | -178.6 | 169.3 | 152.9 | -4.7 | 110.5 | E41 K82 E83 E89 | E41-R91 IonicContact OE1-NE 3.5Å; E41-R91 IonicContact OE1-NH2 3.68Å; K82-R91 WeakPolarHBondContact CA-O 3.21Å; K82-R91 WeakPolarHBondContact CG-O 3.4Å; E83-R91 IonicContact OE2-NH1 3.34Å; E83-R91 PolarHBondContact OE2-NH1 3.32Å; E89-R91 PolarHBondContact O-N 2.9Å; E89-R91 VanDerWaalsContact O-N 3.11Å |
| 92 | P | 77.6 | Confident | 76.6 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.104 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 157.2 | 175.3 | 30 | -35.1 | 0 | 0 | 0 | 111 | A94 E126 W130 | P92-A94 PolarHBondContact O-N 3.31Å; P92-E126 HydrophobicContact CG-CB 4.32Å; P92-E126 VanDerWaalsContact CG-CD 3.41Å; P92-E126 HydrophobicContact CG-CG 3.99Å; P92-E126 VanDerWaalsContact CG-OE2 3.28Å; P92-E126 WeakPolarHBondContact CG-OE2 3.49Å; P92-W130 HydrophobicContact CB-CD2 3.79Å; P92-W130 HydrophobicContact CB-CE3 4.37Å; P92-W130 HydrophobicContact CB-CG 4.24Å; P92-W130 HydrophobicContact CB-CH2 4.15Å; P92-W130 HydrophobicContact CB-CZ2 3.54Å; P92-W130 HydrophobicContact CG-CZ2 4.21Å |
| 93 | P | 85.4 | Confident | 78 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 139.7 | 173.7 | 26.6 | -33.5 | 0 | 0 | 0 | 110.1 | F79 V80 W130 T133 | F79-P93 HydrophobicContact CE2-CB 3.68Å; F79-P93 HydrophobicContact CZ-CB 3.94Å; V80-P93 WeakPolarHBondContact O-CA 3.44Å; P93-W130 HydrophobicContact CG-CB 3.66Å; P93-W130 HydrophobicContact CG-CG 4.04Å; P93-T133 HydrophobicContact CB-CG2 4.4Å |
| 94 | A | 89.6 | Confident | 79.6 | Confident | 6 Ų | 6 | 58 Ų | 58 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V80 P92 T124 F125 E126 | V80-A94 HydrophobicContact CB-CB 4.42Å; V80-A94 PolarHBondContact N-O 2.82Å; V80-A94 PolarHBondContact O-N 2.69Å; V80-A94 VanDerWaalsContact O-N 3.07Å; P92-A94 PolarHBondContact O-N 3.31Å; A94-T124 HydrophobicContact CB-CG2 3.83Å; A94-F125 CarbonylContact C-O 3.57Å; A94-F125 WeakPolarHBondContact CA-O 3.39Å; A94-E126 HydrophobicContact CB-CG 4.04Å |
| 95 | I | 93.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.7 | 170.6 | -52.9 | -179.5 | 0 | 0 | 0 | 107.3 | F48 V97 T124 F125 L127 T133 V136 V137 L140 | F48-I95 HydrophobicContact CE1-CD1 4.22Å; F48-I95 HydrophobicContact CZ-CD1 4.18Å; I95-V97 HydrophobicContact CG2-CG2 4.09Å; I95-T124 CarbonylContact O-C 3.54Å; I95-T124 WeakPolarHBondContact O-CA 3.4Å; I95-F125 HydrophobicContact CB-CB 4.45Å; I95-F125 PolarHBondContact N-O 3.31Å; I95-F125 PolarHBondContact O-N 2.72Å; I95-L127 HydrophobicContact CD1-CD1 4.14Å; I95-L127 HydrophobicContact CD1-CD2 4.09Å; I95-L127 HydrophobicContact CD1-CG 4.11Å; I95-T133 HydrophobicContact CD1-CG2 4.3Å; I95-T133 HydrophobicContact CG1-CG2 3.63Å; I95-V136 HydrophobicContact CD1-CB 4.26Å; I95-V136 HydrophobicContact CD1-CG1 3.71Å; I95-V137 HydrophobicContact CB-CG2 4.38Å; I95-V137 HydrophobicContact CD1-CG2 4.36Å; I95-V137 HydrophobicContact CG1-CG2 3.87Å; I95-V137 HydrophobicContact CG2-CG2 4.07Å; I95-L140 HydrophobicContact CG2-CD1 4.27Å |
| 96 | T | 94.1 | Very high | 83.1 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125 | 174.4 | -69.1 | 0 | 0 | 0 | 0 | 109.9 | I77 E78 V80 K122 L123 T124 | I77-T96 WeakPolarHBondContact CA-O 3.35Å; E78-T96 PolarHBondContact N-O 2.87Å; E78-T96 PolarHBondContact O-N 2.87Å; V80-T96 VanDerWaalsContact CG2-OG1 3.32Å; V80-T96 WeakPolarHBondContact CG2-OG1 3.45Å; T96-K122 HydrophobicContact CG2-CD 4.17Å; T96-K122 HydrophobicContact CG2-CG 3.89Å; T96-L123 WeakPolarHBondContact CA-O 3.36Å; T96-T124 PolarHBondContact OG1-OG1 2.73Å |
| 97 | V | 95.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.7 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | I55 I69 C74 I77 I95 K122 L123 | I55-V97 HydrophobicContact CD1-CG1 4.39Å; I55-V97 HydrophobicContact CD1-CG2 3.92Å; I69-V97 HydrophobicContact CD1-CG1 4.35Å; I69-V97 HydrophobicContact CG2-CG1 4.1Å; C74-V97 VanDerWaalsContact SG-CG1 3.58Å; I77-V97 HydrophobicContact CG1-CG1 4.32Å; I95-V97 HydrophobicContact CG2-CG2 4.09Å; V97-K122 WeakPolarHBondContact O-CA 3.36Å; V97-L123 PolarHBondContact N-O 2.88Å; V97-L123 PolarHBondContact O-N 3.33Å |
| 98 | S | 95 | Very high | 86 | Confident | 20 Ų | 20 | 43 Ų | 43 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 171.9 | -55 | 0 | 0 | 0 | 0 | 108.9 | C74 Q75 R76 K121 | C74-S98 CarbonylContact C-O 3.41Å; C74-S98 WeakPolarHBondContact CA-O 3.34Å; Q75-S98 PolarHBondContact N-O 2.94Å; R76-S98 PolarHBondContact N-O 3.45Å; R76-S98 PolarHBondContact O-N 2.86Å; S98-K121 WeakPolarHBondContact CA-O 3.48Å |
| 99 | C | 95 | Very high | 87.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 162.2 | -173.3 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | I69 D73 V102 K121 | I69-C99 HydrophobicContact CG2-CB 3.89Å; D73-C99 CarbonylContact O-C 3.56Å; D73-C99 WeakPolarHBondContact O-CA 3.44Å; D73-C99 WeakPolarHBondContact O-CB 3.35Å; C99-V102 VanDerWaalsContact SG-CG2 3.53Å; C99-K121 PolarHBondContact N-O 3.08Å; C99-K121 PolarHBondContact O-N 3.17Å |
| 100 | E | 94.5 | Very high | 88.8 | Confident | 105 Ų | 105 | 37.5 Ų | 37.5 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -16.3 | 178.6 | -64.3 | -171.5 | 178.1 | 0 | 0 | 113.7 | D73 Q75 R118 G119 | D73-E100 PolarHBondContact O-N 2.83Å; Q75-E100 HydrophobicContact CG-CG 4.02Å; Q75-E100 VanDerWaalsContact NE2-CG 3.28Å; Q75-E100 PolarHBondContact NE2-OE1 2.89Å; E100-R118 CarbonylContact O-C 3.06Å; E100-R118 WeakPolarHBondContact O-CA 3.44Å; E100-G119 CarbonylContact C-O 3.3Å; E100-G119 PolarHBondContact O-N 2.98Å; E100-G119 VanDerWaalsContact O-O 3.06Å |
| 101 | Q | 93.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 135.9 | -178.4 | -171.7 | 172.5 | -64.5 | 0 | 0 | 110.7 | D73 E117 R118 | D73-Q101 HydrophobicContact CB-CB 4.2Å; D73-Q101 WeakPolarHBondContact OD2-CB 3.24Å; Q101-E117 WeakPolarHBondContact CA-O 3.37Å; Q101-R118 HydrophobicContact CG-CG 4.39Å |
| 102 | V | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.5 | 171.8 | -177 | 0 | 0 | 0 | 0 | 108.4 | I67 C99 F104 E117 K121 L123 | I67-V102 HydrophobicContact CG2-CG1 3.49Å; I67-V102 VanDerWaalsContact CG2-CG1 3.49Å; C99-V102 VanDerWaalsContact SG-CG2 3.53Å; V102-F104 HydrophobicContact CB-CE2 4.28Å; V102-F104 HydrophobicContact CB-CZ 4.41Å; V102-F104 HydrophobicContact CG1-CE1 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.92Å; V102-F104 HydrophobicContact CG1-CZ 3.73Å; V102-E117 PolarHBondContact N-O 2.84Å; V102-E117 PolarHBondContact O-N 3.39Å; V102-K121 HydrophobicContact CG2-CB 3.91Å; V102-K121 HydrophobicContact CG2-CG 4.02Å; V102-L123 HydrophobicContact CG1-CD1 4.35Å; V102-L123 HydrophobicContact CG2-CD1 3.89Å |
| 103 | I | 95.7 | Very high | 92 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.6 | -177.9 | -54.8 | 176.6 | 0 | 0 | 0 | 108.3 | K68 P70 I105 Y114 N116 | K68-I103 HydrophobicContact CB-CB 4.13Å; K68-I103 HydrophobicContact CD-CD1 4.5Å; K68-I103 PolarHBondContact N-O 2.88Å; K68-I103 PolarHBondContact O-N 2.86Å; P70-I103 HydrophobicContact CG-CD1 3.99Å; I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 HydrophobicContact CG2-CG1 3.87Å; I103-Y114 HydrophobicContact CG2-CD2 4.17Å; I103-Y114 HydrophobicContact CG2-CG 4.29Å; I103-N116 WeakPolarHBondContact CG1-OD1 2.87Å; I103-N116 WeakPolarHBondContact CG2-OD1 3.22Å |
| 104 | F | 94.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.3 | 177.2 | -62.1 | -78.9 | 0 | 0 | 0 | 110.6 | P65 I66 I67 V102 R115 E117 | P65-F104 HydrophobicContact CB-CB 3.92Å; P65-F104 HydrophobicContact CB-CD1 3.99Å; P65-F104 HydrophobicContact CB-CG 4.42Å; P65-F104 HydrophobicContact CG-CB 4.23Å; P65-F104 HydrophobicContact CG-CD1 3.51Å; P65-F104 HydrophobicContact CG-CE1 4.27Å; P65-F104 HydrophobicContact CG-CG 4.23Å; I66-F104 WeakPolarHBondContact O-CA 3.2Å; I67-F104 HydrophobicContact CD1-CE1 4.37Å; I67-F104 HydrophobicContact CG1-CD1 4.16Å; I67-F104 HydrophobicContact CG1-CE1 4.01Å; V102-F104 HydrophobicContact CB-CE2 4.28Å; V102-F104 HydrophobicContact CB-CZ 4.41Å; V102-F104 HydrophobicContact CG1-CE1 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.92Å; V102-F104 HydrophobicContact CG1-CZ 3.73Å; F104-R115 HydrophobicContact CB-CB 4.21Å; F104-R115 PolarHBondContact N-O 3.26Å; F104-R115 PolarHBondContact O-N 2.81Å; F104-E117 HydrophobicContact CD2-CG 4.12Å; F104-E117 HydrophobicContact CE2-CB 4.11Å; F104-E117 HydrophobicContact CE2-CG 3.86Å; F104-E117 WeakPolarHBondContact CE2-OE1 3.44Å |
| 105 | I | 94.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.5 | -169.4 | -54 | 170.4 | 0 | 0 | 0 | 109.7 | L18 P65 I66 K68 I103 E107 Y114 | L18-I105 HydrophobicContact CD1-CG2 4.33Å; L18-I105 HydrophobicContact CD2-CD1 4.33Å; L18-I105 HydrophobicContact CD2-CG2 3.82Å; P65-I105 WeakPolarHBondContact CA-O 3.49Å; I66-I105 HydrophobicContact CB-CB 4.16Å; I66-I105 PolarHBondContact N-O 2.76Å; I66-I105 PolarHBondContact O-N 2.81Å; K68-I105 HydrophobicContact CB-CD1 3.95Å; K68-I105 HydrophobicContact CD-CD1 4.4Å; I103-I105 HydrophobicContact CG2-CD1 4.12Å; I103-I105 HydrophobicContact CG2-CG1 3.87Å; I105-E107 VanDerWaalsContact C-N 3.33Å; I105-E107 PolarHBondContact O-N 3.07Å; I105-Y114 HydrophobicContact CB-CD1 4.28Å; I105-Y114 HydrophobicContact CB-CE1 4.49Å; I105-Y114 HydrophobicContact CD1-CD2 4.2Å; I105-Y114 HydrophobicContact CD1-CE2 4.21Å; I105-Y114 HydrophobicContact CD1-CG 4.41Å; I105-Y114 HydrophobicContact CG1-CD1 3.9Å; I105-Y114 HydrophobicContact CG1-CD2 4.15Å; I105-Y114 HydrophobicContact CG1-CE1 4.26Å; I105-Y114 HydrophobicContact CG1-CG 3.86Å; I105-Y114 HydrophobicContact CG2-CD1 3.83Å; I105-Y114 HydrophobicContact CG2-CE1 3.62Å |
| 106 | K | 90.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | trans | 51.9 | 40.9 | 174.1 | -71.4 | -177.7 | -179.6 | -174.7 | 0 | 115.1 | R13 I66 S108 N109 V110 E397 | R13-K106 PolarHBondContact NH2-O 3.24Å; R13-K106 PolarHBondContact O-NZ 3.24Å; I66-K106 HydrophobicContact CD1-CD 4.38Å; K106-S108 PolarHBondContact O-N 3.09Å; K106-N109 WeakPolarHBondContact O-CA 3.49Å; K106-N109 PolarHBondContact O-N 3.34Å; K106-V110 WeakPolarHBondContact CA-O 3.41Å; K106-E397 WeakPolarHBondContact CE-OE1 3.35Å; K106-E397 IonicContact NZ-OE1 2.73Å; K106-E397 PolarHBondContact NZ-OE1 2.75Å; K106-E397 IonicContact NZ-OE2 3.68Å | ||
| 107 | E | 89.1 | Confident | 92.5 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -54.6 | 134.8 | 173.2 | -168.2 | 166.9 | -144.3 | 0 | 0 | 110.4 | P65 I105 N109 V110 R115 | P65-E107 HydrophobicContact CB-CB 4.1Å; P65-E107 HydrophobicContact CB-CG 4.43Å; I105-E107 VanDerWaalsContact C-N 3.33Å; I105-E107 PolarHBondContact O-N 3.07Å; E107-N109 PolarHBondContact O-N 3.39Å; E107-V110 PolarHBondContact O-N 2.81Å; E107-V110 VanDerWaalsContact O-N 3.09Å; E107-R115 IonicContact OE1-NH1 3.39Å; E107-R115 PolarHBondContact OE1-NH1 2.83Å; E107-R115 IonicContact OE2-NH1 2.88Å; E107-R115 PolarHBondContact OE2-NH1 2.8Å |
| 108 | S | 87.4 | Confident | 92.3 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 54% | 0.538 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | 54.5 | 23.7 | -173.2 | -59.9 | 0 | 0 | 0 | 0 | 115.1 | L62 A63 K106 V110 | L62-S108 CarbonylContact O-C 3.56Å; L62-S108 WeakPolarHBondContact O-CA 3.48Å; L62-S108 PolarHBondContact O-N 3.07Å; A63-S108 PolarHBondContact O-N 3.15Å; A63-S108 VanDerWaalsContact O-N 3.08Å; K106-S108 PolarHBondContact O-N 3.09Å; S108-V110 PolarHBondContact O-N 3.45Å |
| 109 | N | 87.4 | Confident | 91.9 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 58.9 | 27.9 | -174.9 | -159.9 | 39.1 | 0 | 0 | 0 | 114.5 | L62 K106 E107 | L62-N109 PolarHBondContact O-N 3.19Å; K106-N109 WeakPolarHBondContact O-CA 3.49Å; K106-N109 PolarHBondContact O-N 3.34Å; E107-N109 PolarHBondContact O-N 3.39Å |
| 110 | V | 88.3 | Confident | 91.7 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | trans | -92.1 | 132.4 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | K106 E107 S108 A112 | K106-V110 WeakPolarHBondContact CA-O 3.41Å; E107-V110 PolarHBondContact O-N 2.81Å; E107-V110 VanDerWaalsContact O-N 3.09Å; S108-V110 PolarHBondContact O-N 3.45Å; V110-A112 HydrophobicContact CG1-CB 4.42Å; V110-A112 PolarHBondContact O-N 3.41Å | ||
| 111 | I | 89.5 | Confident | 91.6 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | trans | -80.3 | 108.2 | 174.2 | -55.9 | 169.6 | 0 | 0 | 0 | 108.4 | P396 E397 L400 L452 | I111-P396 HydrophobicContact CD1-CG 4.08Å; I111-P396 HydrophobicContact CG2-CB 3.86Å; I111-P396 HydrophobicContact CG2-CG 3.89Å; I111-E397 HydrophobicContact CD1-CG 4.07Å; I111-E397 HydrophobicContact CG1-CG 4.25Å; I111-E397 HydrophobicContact CG2-CG 3.88Å; I111-L400 HydrophobicContact CG2-CD1 3.87Å; I111-L452 HydrophobicContact CB-CD2 4.49Å | ||
| 112 | A | 90.8 | Very high | 91.5 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | trans | -151.2 | 165.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V110 L400 | V110-A112 HydrophobicContact CG1-CB 4.42Å; V110-A112 PolarHBondContact O-N 3.41Å; A112-L400 WeakPolarHBondContact O-CD1 3.43Å | ||
| 113 | P | 92.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 65.7 Ų | 65.7 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | trans | -51.6 | 141.4 | 172.8 | -28.3 | 37.2 | 0 | 0 | 0 | 112.9 | G405 F407 | P113-G405 CarbonylContact C-O 3.56Å; P113-G405 WeakPolarHBondContact CA-O 3.37Å; P113-F407 HydrophobicContact CG-CD2 3.8Å; P113-F407 HydrophobicContact CG-CE2 4.14Å | ||
| 114 | Y | 94 | Very high | 91.4 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -67.9 | 136.7 | -177.8 | -56.2 | -13.2 | 0 | 0 | 0 | 110.6 | L18 I103 I105 N116 L400 G405 | L18-Y114 HydrophobicContact CD2-CE1 4.48Å; L18-Y114 WeakPolarHBondContact CD2-OH 3.42Å; I103-Y114 HydrophobicContact CG2-CD2 4.17Å; I103-Y114 HydrophobicContact CG2-CG 4.29Å; I105-Y114 HydrophobicContact CB-CD1 4.28Å; I105-Y114 HydrophobicContact CB-CE1 4.49Å; I105-Y114 HydrophobicContact CD1-CD2 4.2Å; I105-Y114 HydrophobicContact CD1-CE2 4.21Å; I105-Y114 HydrophobicContact CD1-CG 4.41Å; I105-Y114 HydrophobicContact CG1-CD1 3.9Å; I105-Y114 HydrophobicContact CG1-CD2 4.15Å; I105-Y114 HydrophobicContact CG1-CE1 4.26Å; I105-Y114 HydrophobicContact CG1-CG 3.86Å; I105-Y114 HydrophobicContact CG2-CD1 3.83Å; I105-Y114 HydrophobicContact CG2-CE1 3.62Å; Y114-N116 PolarHBondContact O-N 3.17Å; Y114-L400 HydrophobicContact CE1-CB 4.21Å; Y114-L400 HydrophobicContact CE1-CD1 4.11Å; Y114-G405 VanDerWaalsContact CE2-CA 3.42Å; Y114-G405 PolarHBondContact N-O 3.45Å | ||
| 115 | R | 93.7 | Very high | 91.3 | Very high | 104 Ų | 104 | 65 Ų | 65 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.1 | 177.5 | -178 | 177.1 | 87.2 | -146 | 1.6 | 109.4 | F104 E107 E117 | F104-R115 HydrophobicContact CB-CB 4.21Å; F104-R115 PolarHBondContact N-O 3.26Å; F104-R115 PolarHBondContact O-N 2.81Å; E107-R115 IonicContact OE1-NH1 3.39Å; E107-R115 PolarHBondContact OE1-NH1 2.83Å; E107-R115 IonicContact OE2-NH1 2.88Å; E107-R115 PolarHBondContact OE2-NH1 2.8Å; R115-E117 IonicContact CZ-OE1 3.62Å; R115-E117 IonicContact NE-OE1 3.13Å; R115-E117 PolarHBondContact NE-OE1 2.75Å; R115-E117 VanDerWaalsContact NE-OE1 3.13Å; R115-E117 IonicContact NH2-OE1 3.33Å; R115-E117 PolarHBondContact NH2-OE1 3.1Å |
| 116 | N | 92.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.6 | 177.2 | -62.8 | -19.2 | 0 | 0 | 0 | 110.1 | I103 Y114 | I103-N116 WeakPolarHBondContact CG1-OD1 2.87Å; I103-N116 WeakPolarHBondContact CG2-OD1 3.22Å; Y114-N116 PolarHBondContact O-N 3.17Å |
| 117 | E | 93.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.8 | 172 | -72.8 | -176 | -153.7 | 0 | 0 | 109.9 | Q101 V102 F104 R115 K121 | Q101-E117 WeakPolarHBondContact CA-O 3.37Å; V102-E117 PolarHBondContact N-O 2.84Å; V102-E117 PolarHBondContact O-N 3.39Å; F104-E117 HydrophobicContact CD2-CG 4.12Å; F104-E117 HydrophobicContact CE2-CB 4.11Å; F104-E117 HydrophobicContact CE2-CG 3.86Å; F104-E117 WeakPolarHBondContact CE2-OE1 3.44Å; R115-E117 IonicContact CZ-OE1 3.62Å; R115-E117 IonicContact NE-OE1 3.13Å; R115-E117 PolarHBondContact NE-OE1 2.75Å; R115-E117 VanDerWaalsContact NE-OE1 3.13Å; R115-E117 IonicContact NH2-OE1 3.33Å; R115-E117 PolarHBondContact NH2-OE1 3.1Å; E117-K121 WeakPolarHBondContact OE2-CE 3.31Å; E117-K121 IonicContact OE2-NZ 3.51Å; E117-K121 PolarHBondContact OE2-NZ 3.38Å |
| 118 | R | 90.4 | Very high | 91.2 | Very high | 210 Ų | 210 | 65 Ų | 65 | 79% | 0.792 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 144.8 | 175 | -66.8 | -176.1 | 175.3 | -179.6 | 0.7 | 110.8 | E100 Q101 | E100-R118 CarbonylContact O-C 3.06Å; E100-R118 WeakPolarHBondContact O-CA 3.44Å; Q101-R118 HydrophobicContact CG-CG 4.39Å |
| 119 | G | 88.5 | Confident | 90.9 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.3 | 161.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E100 K121 | E100-G119 CarbonylContact C-O 3.3Å; E100-G119 PolarHBondContact O-N 2.98Å; E100-G119 VanDerWaalsContact O-O 3.06Å; G119-K121 PolarHBondContact O-N 3.12Å; G119-K121 VanDerWaalsContact O-N 3.13Å |
| 120 | S | 90.1 | Very high | 90.6 | Very high | 98 Ų | 98 | 65.9 Ų | 65.9 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 116.8 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 121 | K | 91.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.1 | 177.9 | -65.2 | -75.3 | -170.4 | 159 | 0 | 109 | S98 C99 V102 E117 G119 | S98-K121 WeakPolarHBondContact CA-O 3.48Å; C99-K121 PolarHBondContact N-O 3.08Å; C99-K121 PolarHBondContact O-N 3.17Å; V102-K121 HydrophobicContact CG2-CB 3.91Å; V102-K121 HydrophobicContact CG2-CG 4.02Å; E117-K121 WeakPolarHBondContact OE2-CE 3.31Å; E117-K121 IonicContact OE2-NZ 3.51Å; E117-K121 PolarHBondContact OE2-NZ 3.38Å; G119-K121 PolarHBondContact O-N 3.12Å; G119-K121 VanDerWaalsContact O-N 3.13Å |
| 122 | K | 92.8 | Very high | 90.1 | Very high | 145 Ų | 145 | 70.6 Ų | 70.6 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120 | 174.7 | -173.1 | -179.6 | -175.5 | 179.9 | 0 | 108.6 | T96 V97 | T96-K122 HydrophobicContact CG2-CD 4.17Å; T96-K122 HydrophobicContact CG2-CG 3.89Å; V97-K122 WeakPolarHBondContact O-CA 3.36Å |
| 123 | L | 93.3 | Very high | 90 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.4 | -179.2 | -63.8 | 161.4 | 0 | 0 | 0 | 108.8 | H33 I67 I69 T96 V97 V102 F125 | H33-L123 VanDerWaalsContact NE2-CD2 3.27Å; H33-L123 WeakPolarHBondContact NE2-CD2 3.28Å; I67-L123 HydrophobicContact CG2-CD1 4.24Å; I69-L123 HydrophobicContact CD1-CD1 3.4Å; I69-L123 VanDerWaalsContact CD1-CD1 3.4Å; I69-L123 HydrophobicContact CG1-CD1 3.82Å; T96-L123 WeakPolarHBondContact CA-O 3.36Å; V97-L123 PolarHBondContact N-O 2.88Å; V97-L123 PolarHBondContact O-N 3.33Å; V102-L123 HydrophobicContact CG1-CD1 4.35Å; V102-L123 HydrophobicContact CG2-CD1 3.89Å; L123-F125 HydrophobicContact CB-CE2 3.69Å; L123-F125 HydrophobicContact CB-CZ 3.99Å |
| 124 | T | 93.3 | Very high | 90 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.3 | -177.7 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | H33 V34 A94 I95 T96 | H33-T124 PolarHBondContact CD2-O 2.72Å; V34-T124 HydrophobicContact CB-CG2 4.49Å; V34-T124 PolarHBondContact N-O 2.89Å; A94-T124 HydrophobicContact CB-CG2 3.83Å; I95-T124 CarbonylContact O-C 3.54Å; I95-T124 WeakPolarHBondContact O-CA 3.4Å; T96-T124 PolarHBondContact OG1-OG1 2.73Å |
| 125 | F | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.8 | -177 | -56.6 | -84.1 | 0 | 0 | 0 | 110.9 | Y32 H33 F48 F57 I69 A94 I95 L123 | Y32-F125 CarbonylContact O-C 3.6Å; Y32-F125 VanDerWaalsContact O-CA 3.32Å; Y32-F125 WeakPolarHBondContact O-CA 3.44Å; H33-F125 HydrophobicContact CB-CD1 3.93Å; H33-F125 HydrophobicContact CB-CE1 3.84Å; H33-F125 AromaticContact CD2-CE1 3.65Å; H33-F125 AromaticContact CG-CE1 3.87Å; F48-F125 HydrophobicContact CD2-CB 4.14Å; F48-F125 AromaticContact CD2-CD1 3.93Å; F48-F125 HydrophobicContact CD2-CD1 3.93Å; F48-F125 HydrophobicContact CD2-CD2 4.21Å; F48-F125 HydrophobicContact CD2-CE1 4.38Å; F48-F125 AromaticContact CD2-CG 3.83Å; F48-F125 HydrophobicContact CD2-CG 3.83Å; F48-F125 HydrophobicContact CE2-CB 4.13Å; F48-F125 HydrophobicContact CE2-CD1 4.21Å; F48-F125 AromaticContact CE2-CD2 3.65Å; F48-F125 HydrophobicContact CE2-CD2 3.65Å; F48-F125 HydrophobicContact CE2-CE2 4.05Å; F48-F125 AromaticContact CE2-CG 3.73Å; F48-F125 HydrophobicContact CE2-CG 3.73Å; F48-F125 HydrophobicContact CE2-CZ 4.49Å; F57-F125 HydrophobicContact CB-CE1 3.78Å; F57-F125 HydrophobicContact CB-CZ 4.26Å; F57-F125 HydrophobicContact CD1-CE1 4.06Å; F57-F125 AromaticContact CD2-CD1 3.94Å; F57-F125 HydrophobicContact CD2-CD1 3.94Å; F57-F125 AromaticContact CD2-CE1 3.83Å; F57-F125 HydrophobicContact CD2-CE1 3.83Å; F57-F125 HydrophobicContact CE2-CD1 4.3Å; F57-F125 HydrophobicContact CE2-CE1 4.45Å; F57-F125 HydrophobicContact CG-CD1 4.21Å; F57-F125 AromaticContact CG-CE1 3.6Å; F57-F125 HydrophobicContact CG-CE1 3.6Å; I69-F125 HydrophobicContact CD1-CE2 4.12Å; I69-F125 HydrophobicContact CD1-CZ 4.24Å; A94-F125 CarbonylContact C-O 3.57Å; A94-F125 WeakPolarHBondContact CA-O 3.39Å; I95-F125 HydrophobicContact CB-CB 4.45Å; I95-F125 PolarHBondContact N-O 3.31Å; I95-F125 PolarHBondContact O-N 2.72Å; L123-F125 HydrophobicContact CB-CE2 3.69Å; L123-F125 HydrophobicContact CB-CZ 3.99Å |
| 126 | E | 92.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.2 | 174 | -62.6 | 174.9 | -179.6 | 0 | 0 | 108.9 | A31 Y32 V34 K43 P92 A94 | A31-E126 CarbonylContact C-O 3.53Å; A31-E126 WeakPolarHBondContact CA-O 3.32Å; Y32-E126 PolarHBondContact N-O 3.13Å; Y32-E126 PolarHBondContact O-N 2.92Å; V34-E126 HydrophobicContact CG2-CG 3.94Å; K43-E126 WeakPolarHBondContact CE-OE2 3.13Å; K43-E126 IonicContact NZ-OE1 3.2Å; K43-E126 PolarHBondContact NZ-OE1 3.08Å; K43-E126 IonicContact NZ-OE2 2.71Å; K43-E126 PolarHBondContact NZ-OE2 3.09Å; P92-E126 HydrophobicContact CG-CB 4.32Å; P92-E126 VanDerWaalsContact CG-CD 3.41Å; P92-E126 HydrophobicContact CG-CG 3.99Å; P92-E126 VanDerWaalsContact CG-OE2 3.28Å; P92-E126 WeakPolarHBondContact CG-OE2 3.49Å; A94-E126 HydrophobicContact CB-CG 4.04Å |
| 127 | L | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 151.8 | 177.6 | -57.3 | -171.1 | 0 | 0 | 0 | 110.6 | Y29 A31 F48 I95 W130 T133 V136 | Y29-L127 HydrophobicContact CD1-CD1 4.43Å; Y29-L127 HydrophobicContact CG-CD1 4.38Å; A31-L127 HydrophobicContact CB-CD2 3.68Å; F48-L127 HydrophobicContact CB-CD2 4.49Å; F48-L127 HydrophobicContact CD1-CD2 4.39Å; F48-L127 HydrophobicContact CG-CD2 4.42Å; I95-L127 HydrophobicContact CD1-CD1 4.14Å; I95-L127 HydrophobicContact CD1-CD2 4.09Å; I95-L127 HydrophobicContact CD1-CG 4.11Å; L127-W130 PolarHBondContact O-NE1 2.95Å; L127-T133 HydrophobicContact CD1-CG2 4.44Å; L127-T133 HydrophobicContact CG-CG2 4.46Å; L127-V136 HydrophobicContact CD1-CB 4.3Å; L127-V136 HydrophobicContact CD1-CG2 3.96Å |
| 128 | E | 88.5 | Confident | 89.8 | Confident | 100 Ų | 100 | 68.8 Ų | 68.8 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -73.1 | -33.4 | 173.5 | -168.2 | 165.4 | -162.2 | 0 | 0 | 111.3 | T30 R45 W130 | T30-E128 WeakPolarHBondContact CB-OE2 3.35Å; T30-E128 HydrophobicContact CG2-CB 4.45Å; T30-E128 WeakPolarHBondContact CG2-OE2 3.25Å; T30-E128 PolarHBondContact O-N 2.89Å; R45-E128 IonicContact NH2-OE2 3.99Å; E128-W130 PolarHBondContact O-N 2.79Å |
| 129 | G | 81 | Confident | 89.9 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -94.9 | 75.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S131 K132 | G129-S131 PolarHBondContact O-N 3.28Å; G129-K132 PolarHBondContact O-N 3.04Å; G129-K132 VanDerWaalsContact O-N 3.09Å |
| 130 | W | 79.9 | Confident | 90.2 | Very high | 132 Ų | 132 | 58.3 Ų | 58.3 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -51 | -30.6 | -171.8 | -61.3 | -25 | 0 | 0 | 0 | 115.7 | P92 P93 L127 E128 K132 T133 | P92-W130 HydrophobicContact CB-CD2 3.79Å; P92-W130 HydrophobicContact CB-CE3 4.37Å; P92-W130 HydrophobicContact CB-CG 4.24Å; P92-W130 HydrophobicContact CB-CH2 4.15Å; P92-W130 HydrophobicContact CB-CZ2 3.54Å; P92-W130 HydrophobicContact CG-CZ2 4.21Å; P93-W130 HydrophobicContact CG-CB 3.66Å; P93-W130 HydrophobicContact CG-CG 4.04Å; L127-W130 PolarHBondContact O-NE1 2.95Å; E128-W130 PolarHBondContact O-N 2.79Å; W130-K132 PolarHBondContact O-N 2.81Å; W130-T133 WeakPolarHBondContact O-CB 3.05Å; W130-T133 PolarHBondContact O-N 2.88Å; W130-T133 PolarHBondContact O-OG1 2.83Å |
| 131 | S | 82.3 | Confident | 90.4 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 77% | 0.769 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.6 | -22 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | G129 | G129-S131 PolarHBondContact O-N 3.28Š|
| 132 | K | 85.8 | Confident | 90.5 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 48% | 0.478 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -93.9 | -4.9 | -179.7 | -62.9 | -171.6 | 177.8 | -174.2 | 0 | 113.6 | Y29 G129 W130 E134 D135 V136 | Y29-K132 HydrophobicContact CE1-CB 4.4Å; Y29-K132 HydrophobicContact CE1-CD 3.87Å; G129-K132 PolarHBondContact O-N 3.04Å; G129-K132 VanDerWaalsContact O-N 3.09Å; W130-K132 PolarHBondContact O-N 2.81Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.42Å; K132-D135 PolarHBondContact O-N 2.88Å; K132-V136 WeakPolarHBondContact O-CG2 3.36Å; K132-V136 PolarHBondContact O-N 3.35Å |
| 133 | T | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | -170 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | F79 P93 I95 L127 W130 V136 V137 | F79-T133 HydrophobicContact CD2-CG2 3.96Å; F79-T133 HydrophobicContact CE2-CG2 3.91Å; P93-T133 HydrophobicContact CB-CG2 4.4Å; I95-T133 HydrophobicContact CD1-CG2 4.3Å; I95-T133 HydrophobicContact CG1-CG2 3.63Å; L127-T133 HydrophobicContact CD1-CG2 4.44Å; L127-T133 HydrophobicContact CG-CG2 4.46Å; W130-T133 WeakPolarHBondContact O-CB 3.05Å; W130-T133 PolarHBondContact O-N 2.88Å; W130-T133 PolarHBondContact O-OG1 2.83Å; T133-V136 PolarHBondContact O-N 3.44Å; T133-V137 WeakPolarHBondContact O-CG2 3.38Å; T133-V137 PolarHBondContact O-N 2.62Å |
| 134 | E | 90.7 | Very high | 90.5 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 177.3 | -171.3 | 174.8 | -176.8 | 0 | 0 | 111.8 | F79 K132 V136 V137 Q138 | F79-E134 HydrophobicContact CD2-CB 4.23Å; F79-E134 HydrophobicContact CE2-CB 4.08Å; F79-E134 HydrophobicContact CZ-CB 4.28Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.42Å; E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 PolarHBondContact O-N 3.3Å; E134-V137 WeakPolarHBondContact O-CB 3.35Å; E134-V137 PolarHBondContact O-N 2.81Å; E134-V137 VanDerWaalsContact O-N 3.12Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.43Å |
| 135 | D | 90.7 | Very high | 90.4 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 57% | 0.567 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.5 | -40.8 | 177.1 | -62.6 | -31.5 | 0 | 0 | 0 | 112.1 | K132 Q138 T139 | K132-D135 PolarHBondContact O-N 2.88Å; D135-Q138 PolarHBondContact O-N 3.22Å; D135-T139 PolarHBondContact O-N 2.75Å; D135-T139 PolarHBondContact O-OG1 2.99Å |
| 136 | V | 92.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | Y29 F48 V50 I95 L127 K132 T133 E134 Q138 T139 L140 | Y29-V136 HydrophobicContact CD1-CG2 4.36Å; Y29-V136 HydrophobicContact CD2-CG2 4.02Å; Y29-V136 HydrophobicContact CE1-CG2 3.88Å; Y29-V136 HydrophobicContact CE2-CG2 3.53Å; Y29-V136 HydrophobicContact CG-CG2 4.42Å; Y29-V136 VanDerWaalsContact CZ-CG2 3.45Å; F48-V136 HydrophobicContact CE1-CG1 4.13Å; V50-V136 HydrophobicContact CG2-CG1 4.11Å; I95-V136 HydrophobicContact CD1-CB 4.26Å; I95-V136 HydrophobicContact CD1-CG1 3.71Å; L127-V136 HydrophobicContact CD1-CB 4.3Å; L127-V136 HydrophobicContact CD1-CG2 3.96Å; K132-V136 WeakPolarHBondContact O-CG2 3.36Å; K132-V136 PolarHBondContact O-N 3.35Å; T133-V136 PolarHBondContact O-N 3.44Å; E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 PolarHBondContact O-N 3.3Å; V136-Q138 PolarHBondContact O-N 2.99Å; V136-T139 WeakPolarHBondContact O-CB 3.35Å; V136-T139 PolarHBondContact O-N 2.78Å; V136-L140 HydrophobicContact CG1-CD1 4.09Å; V136-L140 HydrophobicContact CG1-CG 4.4Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 3.01Å |
| 137 | V | 94.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | I77 F79 I95 T133 E134 T139 L140 L141 | I77-V137 HydrophobicContact CG2-CG1 4.39Å; F79-V137 HydrophobicContact CB-CB 4.27Å; F79-V137 HydrophobicContact CB-CG1 4.07Å; F79-V137 HydrophobicContact CB-CG2 4.05Å; F79-V137 HydrophobicContact CD2-CG2 4.48Å; I95-V137 HydrophobicContact CB-CG2 4.38Å; I95-V137 HydrophobicContact CD1-CG2 4.36Å; I95-V137 HydrophobicContact CG1-CG2 3.87Å; I95-V137 HydrophobicContact CG2-CG2 4.07Å; T133-V137 WeakPolarHBondContact O-CG2 3.38Å; T133-V137 PolarHBondContact O-N 2.62Å; E134-V137 WeakPolarHBondContact O-CB 3.35Å; E134-V137 PolarHBondContact O-N 2.81Å; E134-V137 VanDerWaalsContact O-N 3.12Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.25Å; V137-L140 PolarHBondContact O-N 2.84Å; V137-L141 HydrophobicContact CG1-CD1 3.95Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.24Å; V137-L141 PolarHBondContact O-N 2.93Å |
| 138 | Q | 93.1 | Very high | 90 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.9 | -66.9 | -56.2 | -32 | 0 | 0 | 112.2 | E134 D135 V136 L141 Q142 | E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3.43Å; D135-Q138 PolarHBondContact O-N 3.22Å; V136-Q138 PolarHBondContact O-N 2.99Å; Q138-L141 PolarHBondContact O-N 3.45Å; Q138-Q142 PolarHBondContact O-N 3.33Å |
| 139 | T | 92.3 | Very high | 90 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | V50 D135 V136 V137 L141 Q142 L143 | V50-T139 HydrophobicContact CG1-CG2 4.35Å; D135-T139 PolarHBondContact O-N 2.75Å; D135-T139 PolarHBondContact O-OG1 2.99Å; V136-T139 WeakPolarHBondContact O-CB 3.35Å; V136-T139 PolarHBondContact O-N 2.78Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.25Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 2.86Å; T139-Q142 WeakPolarHBondContact O-CB 3.27Å; T139-Q142 PolarHBondContact O-N 2.76Å; T139-Q142 VanDerWaalsContact O-N 3.14Å; T139-L143 HydrophobicContact CG2-CD1 4.17Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.09Å |
| 140 | L | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.7 | -71.7 | 173.7 | 0 | 0 | 0 | 112.2 | F48 V50 I55 L71 I77 I95 V136 V137 Q142 L143 H144 | F48-L140 HydrophobicContact CE1-CD1 4.24Å; F48-L140 HydrophobicContact CZ-CD1 4.06Å; V50-L140 HydrophobicContact CG1-CD2 3.84Å; V50-L140 HydrophobicContact CG2-CD2 4.22Å; I55-L140 HydrophobicContact CD1-CD1 4.02Å; I55-L140 HydrophobicContact CD1-CD2 3.8Å; I55-L140 HydrophobicContact CD1-CG 4.49Å; I55-L140 HydrophobicContact CG1-CD2 3.66Å; L71-L140 HydrophobicContact CD2-CD2 4.42Å; I77-L140 HydrophobicContact CD1-CB 4.3Å; I77-L140 HydrophobicContact CG2-CB 4.14Å; I77-L140 HydrophobicContact CG2-CD1 4.35Å; I95-L140 HydrophobicContact CG2-CD1 4.27Å; V136-L140 HydrophobicContact CG1-CD1 4.09Å; V136-L140 HydrophobicContact CG1-CG 4.4Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 3.01Å; V137-L140 PolarHBondContact O-N 2.84Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; L140-Q142 PolarHBondContact O-N 2.95Å; L140-L143 PolarHBondContact O-N 3.3Å; L140-H144 WeakPolarHBondContact O-CB 3.43Å; L140-H144 PolarHBondContact O-N 3.49Å |
| 141 | L | 94.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 175 | -73.4 | 171.1 | 0 | 0 | 0 | 112.5 | I77 V137 Q138 T139 R145 | I77-L141 HydrophobicContact CB-CD2 4.11Å; V137-L141 HydrophobicContact CG1-CD1 3.95Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.24Å; V137-L141 PolarHBondContact O-N 2.93Å; Q138-L141 PolarHBondContact O-N 3.45Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 2.86Å; L141-R145 WeakPolarHBondContact O-CB 3.31Å; L141-R145 VanDerWaalsContact O-CG 3.28Å; L141-R145 WeakPolarHBondContact O-CG 3.48Å; L141-R145 PolarHBondContact O-N 2.71Å; L141-R145 VanDerWaalsContact O-N 3.15Å; L141-R145 PolarHBondContact O-NE 3.27Å |
| 142 | Q | 92.1 | Very high | 90.3 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 172.7 | -172.5 | -176.6 | 17.1 | 0 | 0 | 111.4 | Q138 T139 L140 R145 A146 | Q138-Q142 PolarHBondContact O-N 3.33Å; T139-Q142 WeakPolarHBondContact O-CB 3.27Å; T139-Q142 PolarHBondContact O-N 2.76Å; T139-Q142 VanDerWaalsContact O-N 3.14Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; L140-Q142 PolarHBondContact O-N 2.95Å; Q142-R145 PolarHBondContact O-N 3.22Å; Q142-A146 PolarHBondContact O-N 3.45Å; Q142-A146 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 179.4 | -63.3 | 172.5 | 0 | 0 | 0 | 111.8 | F26 V50 C51 L71 T139 L140 A146 S147 | F26-L143 HydrophobicContact CD2-CD1 4.27Å; F26-L143 HydrophobicContact CE2-CD1 4.39Å; F26-L143 HydrophobicContact CE2-CD2 3.98Å; V50-L143 HydrophobicContact CG1-CD1 3.77Å; C51-L143 WeakPolarHBondContact O-CD1 3.32Å; L71-L143 HydrophobicContact CD1-CB 3.58Å; T139-L143 HydrophobicContact CG2-CD1 4.17Å; T139-L143 WeakPolarHBondContact O-CG 3.48Å; T139-L143 PolarHBondContact O-N 3.09Å; L140-L143 PolarHBondContact O-N 3.3Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 2.79Å; L143-S147 PolarHBondContact O-N 3.04Å |
| 144 | H | 94.1 | Very high | 90 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 13% | 0.13 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 172.3 | 177.8 | -133.6 | 0 | 0 | 0 | 111.5 | L71 C74 I77 L140 A146 S147 C148 | L71-H144 PolarHBondContact O-CD2 2.82Å; C74-H144 PolarHBondContact O-NE2 3.37Å; I77-H144 HydrophobicContact CD1-CB 3.84Å; L140-H144 WeakPolarHBondContact O-CB 3.43Å; L140-H144 PolarHBondContact O-N 3.49Å; H144-A146 VanDerWaalsContact C-N 3.29Å; H144-A146 PolarHBondContact O-N 2.99Å; H144-S147 PolarHBondContact O-N 3.37Å; H144-S147 VanDerWaalsContact O-N 3.08Å; H144-S147 PolarHBondContact O-OG 3.32Å; H144-C148 PolarHBondContact O-N 3.07Å; H144-C148 VanDerWaalsContact O-N 3.11Å; H144-C148 PolarHBondContact O-SG 2.71Å |
| 145 | R | 91.8 | Very high | 89.7 | Confident | 151 Ų | 151 | 54.2 Ų | 54.2 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.5 | -42.7 | 174.5 | -77.8 | 177.1 | -74.7 | 171.9 | -5.3 | 112.3 | L141 Q142 C148 | L141-R145 WeakPolarHBondContact O-CB 3.31Å; L141-R145 VanDerWaalsContact O-CG 3.28Å; L141-R145 WeakPolarHBondContact O-CG 3.48Å; L141-R145 PolarHBondContact O-N 2.71Å; L141-R145 VanDerWaalsContact O-N 3.15Å; L141-R145 PolarHBondContact O-NE 3.27Å; Q142-R145 PolarHBondContact O-N 3.22Å; R145-C148 PolarHBondContact O-N 2.98Å |
| 146 | A | 89.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q142 L143 H144 C148 L149 Q155 M158 | Q142-A146 PolarHBondContact O-N 3.45Å; Q142-A146 VanDerWaalsContact O-N 3.12Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 2.79Å; H144-A146 VanDerWaalsContact C-N 3.29Å; H144-A146 PolarHBondContact O-N 2.99Å; A146-C148 PolarHBondContact O-N 2.67Å; A146-L149 WeakPolarHBondContact O-CG 3.18Å; A146-L149 PolarHBondContact O-N 3.27Å; A146-Q155 WeakPolarHBondContact O-CG 3.44Å; A146-M158 HydrophobicContact CB-CB 4.1Å; A146-M158 HydrophobicContact CB-CE 4.04Å; A146-M158 HydrophobicContact CB-SD 4.14Å |
| 147 | S | 89.3 | Confident | 89 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -17.7 | 178.9 | 72.9 | 0 | 0 | 0 | 0 | 114.9 | R72 L143 H144 | R72-S147 PolarHBondContact N-OG 3.2Å; L143-S147 PolarHBondContact O-N 3.04Å; H144-S147 PolarHBondContact O-N 3.37Å; H144-S147 VanDerWaalsContact O-N 3.08Å; H144-S147 PolarHBondContact O-OG 3.32Å |
| 148 | C | 89.5 | Confident | 88.7 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.8 | 179.9 | -67.1 | 0 | 0 | 0 | 0 | 114 | H144 R145 A146 | H144-C148 PolarHBondContact O-N 3.07Å; H144-C148 VanDerWaalsContact O-N 3.11Å; H144-C148 PolarHBondContact O-SG 2.71Å; R145-C148 PolarHBondContact O-N 2.98Å; A146-C148 PolarHBondContact O-N 2.67Å |
| 149 | L | 88.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 52 Ų | 52 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | trans | -68.3 | 146.1 | 175.8 | -63.9 | 172.1 | 0 | 0 | 0 | 111.3 | A146 D154 Q155 M158 | A146-L149 WeakPolarHBondContact O-CG 3.18Å; A146-L149 PolarHBondContact O-N 3.27Å; L149-D154 HydrophobicContact CB-CB 4.49Å; L149-D154 HydrophobicContact CD1-CB 3.84Å; L149-Q155 HydrophobicContact CB-CG 3.85Å; L149-Q155 PolarHBondContact O-NE2 3.48Å; L149-M158 HydrophobicContact CD1-CG 4.1Å; L149-M158 HydrophobicContact CD1-SD 3.48Å; L149-M158 WeakPolarHBondContact CD1-SD 3.28Å; L149-M158 HydrophobicContact CG-SD 4.49Å | ||
| 150 | D | 83.1 | Confident | 88.2 | Confident | 171 Ų | 171 | 52.4 Ų | 52.4 | 91% | 0.914 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72.8 | -35.7 | -174.8 | -65.8 | -42.5 | 0 | 0 | 0 | 113.2 | ||
| 151 | K | 84.9 | Confident | 87.9 | Confident | 115 Ų | 115 | 55 Ų | 55 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -96.1 | 134.3 | -179 | -64.8 | -172.5 | 176.4 | -169.8 | 0 | 111.8 | G153 D154 Q155 | K151-G153 VanDerWaalsContact C-N 3.31Å; K151-G153 PolarHBondContact O-N 3.25Å; K151-D154 HydrophobicContact CB-CB 4.31Å; K151-D154 PolarHBondContact O-N 3.29Å; K151-Q155 WeakPolarHBondContact O-CG 3.42Å; K151-Q155 PolarHBondContact O-N 2.85Å |
| 152 | L | 81.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 179.9 | -174.9 | 64.4 | 0 | 0 | 0 | 111.7 | D154 Q155 T156 D537 I540 | L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 2.56Å; L152-Q155 WeakPolarHBondContact O-CB 3.41Å; L152-Q155 PolarHBondContact O-N 2.78Å; L152-T156 PolarHBondContact O-N 2.81Å; L152-T156 PolarHBondContact O-OG1 3.38Å; L152-D537 PolarHBondContact N-OD1 2.79Å; L152-I540 HydrophobicContact CD2-CG2 4.14Å |
| 153 | G | 82.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K151 T156 A157 D537 | K151-G153 VanDerWaalsContact C-N 3.31Å; K151-G153 PolarHBondContact O-N 3.25Å; G153-T156 PolarHBondContact O-N 2.91Å; G153-A157 WeakPolarHBondContact O-CB 3.29Å; G153-A157 PolarHBondContact O-N 3.43Å; G153-D537 WeakPolarHBondContact CA-OD1 3.49Å; G153-D537 PolarHBondContact N-OD1 2.89Å |
| 154 | D | 85.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.1 | -62.1 | -27 | 0 | 0 | 0 | 111.2 | L149 K151 L152 M158 | L149-D154 HydrophobicContact CB-CB 4.49Å; L149-D154 HydrophobicContact CD1-CB 3.84Å; K151-D154 HydrophobicContact CB-CB 4.31Å; K151-D154 PolarHBondContact O-N 3.29Å; L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 2.56Å; D154-M158 WeakPolarHBondContact O-CB 3.31Å; D154-M158 WeakPolarHBondContact O-CG 3.37Å; D154-M158 PolarHBondContact O-N 2.7Å |
| 155 | Q | 86.2 | Confident | 87.2 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -53.4 | 174.1 | -62.1 | -174.5 | 19.8 | 0 | 0 | 111.2 | A146 L149 K151 L152 A157 M158 I159 | A146-Q155 WeakPolarHBondContact O-CG 3.44Å; L149-Q155 HydrophobicContact CB-CG 3.85Å; L149-Q155 PolarHBondContact O-NE2 3.48Å; K151-Q155 WeakPolarHBondContact O-CG 3.42Å; K151-Q155 PolarHBondContact O-N 2.85Å; L152-Q155 WeakPolarHBondContact O-CB 3.41Å; L152-Q155 PolarHBondContact O-N 2.78Å; Q155-A157 PolarHBondContact O-N 3.27Å; Q155-M158 PolarHBondContact O-N 2.78Å; Q155-I159 VanDerWaalsContact O-CG1 3.3Å; Q155-I159 WeakPolarHBondContact O-CG1 3.44Å; Q155-I159 PolarHBondContact O-N 2.96Å |
| 156 | T | 83.5 | Confident | 87.1 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | -178.6 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | E22 R53 L152 G153 I159 A160 I540 | E22-T156 VanDerWaalsContact OE2-CG2 3.24Å; E22-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E22-T156 PolarHBondContact OE2-OG1 3.37Å; R53-T156 PolarHBondContact NH2-OG1 3.12Å; L152-T156 PolarHBondContact O-N 2.81Å; L152-T156 PolarHBondContact O-OG1 3.38Å; G153-T156 PolarHBondContact O-N 2.91Å; T156-I159 PolarHBondContact O-N 3.15Å; T156-A160 VanDerWaalsContact O-CB 3.26Å; T156-A160 WeakPolarHBondContact O-CB 3.28Å; T156-A160 PolarHBondContact O-N 3.33Å; T156-I540 HydrophobicContact CG2-CD1 3.89Å; T156-I540 HydrophobicContact CG2-CG1 4.44Å |
| 157 | A | 85.1 | Confident | 87.2 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G153 Q155 A160 A161 | G153-A157 WeakPolarHBondContact O-CB 3.29Å; G153-A157 PolarHBondContact O-N 3.43Å; Q155-A157 PolarHBondContact O-N 3.27Å; A157-A160 PolarHBondContact O-N 3.11Å; A157-A161 WeakPolarHBondContact O-CB 3Å; A157-A161 PolarHBondContact O-N 3.31Å |
| 158 | M | 87.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.3 | -81.3 | -161.5 | 67.2 | 0 | 0 | 112.5 | A146 L149 D154 Q155 A161 N162 | A146-M158 HydrophobicContact CB-CB 4.1Å; A146-M158 HydrophobicContact CB-CE 4.04Å; A146-M158 HydrophobicContact CB-SD 4.14Å; L149-M158 HydrophobicContact CD1-CG 4.1Å; L149-M158 HydrophobicContact CD1-SD 3.48Å; L149-M158 WeakPolarHBondContact CD1-SD 3.28Å; L149-M158 HydrophobicContact CG-SD 4.49Å; D154-M158 WeakPolarHBondContact O-CB 3.31Å; D154-M158 WeakPolarHBondContact O-CG 3.37Å; D154-M158 PolarHBondContact O-N 2.7Å; Q155-M158 PolarHBondContact O-N 2.78Å; M158-A161 PolarHBondContact O-N 3.34Å; M158-N162 PolarHBondContact O-N 3.48Å |
| 159 | I | 87.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.8 | -69.9 | 169.4 | 0 | 0 | 0 | 110.3 | Y24 R53 Q155 T156 A161 N162 L163 | Y24-I159 HydrophobicContact CD2-CG2 3.63Å; Y24-I159 HydrophobicContact CE2-CG2 3.93Å; R53-I159 HydrophobicContact CG-CD1 3.81Å; Q155-I159 VanDerWaalsContact O-CG1 3.3Å; Q155-I159 WeakPolarHBondContact O-CG1 3.44Å; Q155-I159 PolarHBondContact O-N 2.96Å; T156-I159 PolarHBondContact O-N 3.15Å; I159-A161 PolarHBondContact O-N 3.37Å; I159-N162 WeakPolarHBondContact O-CB 2.97Å; I159-N162 PolarHBondContact O-N 3.27Å; I159-L163 PolarHBondContact O-N 3.34Å |
| 160 | A | 86.8 | Confident | 87.2 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T156 A157 N162 L163 Q164 | T156-A160 VanDerWaalsContact O-CB 3.26Å; T156-A160 WeakPolarHBondContact O-CB 3.28Å; T156-A160 PolarHBondContact O-N 3.33Å; A157-A160 PolarHBondContact O-N 3.11Å; A160-N162 VanDerWaalsContact C-N 3.34Å; A160-N162 PolarHBondContact O-N 3.33Å; A160-L163 PolarHBondContact O-N 2.85Å; A160-Q164 WeakPolarHBondContact O-CB 3.15Å; A160-Q164 WeakPolarHBondContact O-CG 3.1Å; A160-Q164 PolarHBondContact O-N 2.85Å |
| 161 | A | 88.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A157 M158 I159 S165 | A157-A161 WeakPolarHBondContact O-CB 3Å; A157-A161 PolarHBondContact O-N 3.31Å; M158-A161 PolarHBondContact O-N 3.34Å; I159-A161 PolarHBondContact O-N 3.37Å; A161-S165 WeakPolarHBondContact O-CB 3.05Å; A161-S165 PolarHBondContact O-N 2.87Å |
| 162 | N | 88.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.7 | -160.8 | -82.3 | 0 | 0 | 0 | 111.1 | M158 I159 A160 S165 R166 | M158-N162 PolarHBondContact O-N 3.48Å; I159-N162 WeakPolarHBondContact O-CB 2.97Å; I159-N162 PolarHBondContact O-N 3.27Å; A160-N162 VanDerWaalsContact C-N 3.34Å; A160-N162 PolarHBondContact O-N 3.33Å; N162-S165 PolarHBondContact O-N 3.13Å; N162-R166 WeakPolarHBondContact O-CG 3.21Å; N162-R166 PolarHBondContact O-N 3.08Å; N162-R166 WeakPolarHBondContact OD1-CD 3.5Å; N162-R166 PolarHBondContact OD1-NE 3.08Å |
| 163 | L | 90.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.3 | 175.3 | 61.8 | 0 | 0 | 0 | 111.5 | Y24 F26 I159 A160 S165 R166 L167 P200 L215 | Y24-L163 HydrophobicContact CD1-CD2 4.06Å; Y24-L163 HydrophobicContact CD2-CD2 4.07Å; Y24-L163 HydrophobicContact CE1-CD2 3.82Å; Y24-L163 HydrophobicContact CE2-CD2 3.85Å; Y24-L163 HydrophobicContact CG-CD2 4.17Å; F26-L163 HydrophobicContact CE1-CB 4.24Å; F26-L163 HydrophobicContact CE1-CD1 4.03Å; I159-L163 PolarHBondContact O-N 3.34Å; A160-L163 PolarHBondContact O-N 2.85Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.85Å; L163-R166 WeakPolarHBondContact O-CB 3.19Å; L163-R166 PolarHBondContact O-N 3.35Å; L163-R166 VanDerWaalsContact O-N 3.15Å; L163-L167 HydrophobicContact CD1-CD1 4.06Å; L163-L167 HydrophobicContact CD1-CG 4.16Å; L163-L167 HydrophobicContact CG-CD1 3.98Å; L163-L167 HydrophobicContact CG-CG 4.5Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.37Å; L163-P200 HydrophobicContact CD1-CB 3.69Å; L163-P200 HydrophobicContact CD1-CG 3.73Å; L163-P200 HydrophobicContact CD2-CB 4.34Å; L163-P200 HydrophobicContact CD2-CG 3.87Å; L163-P200 HydrophobicContact CG-CG 4.45Å; L163-L215 HydrophobicContact CD1-CD2 3.97Å |
| 164 | Q | 89.8 | Confident | 88.5 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 177.3 | -75.5 | 179.9 | -7.7 | 0 | 0 | 112 | A160 R166 L167 A168 | A160-Q164 WeakPolarHBondContact O-CB 3.15Å; A160-Q164 WeakPolarHBondContact O-CG 3.1Å; A160-Q164 PolarHBondContact O-N 2.85Å; Q164-R166 VanDerWaalsContact C-N 3.29Å; Q164-R166 PolarHBondContact O-N 2.68Å; Q164-L167 PolarHBondContact O-N 2.91Å; Q164-A168 VanDerWaalsContact O-CB 3.28Å; Q164-A168 WeakPolarHBondContact O-CB 3.43Å; Q164-A168 PolarHBondContact O-N 2.98Å |
| 165 | S | 90.7 | Very high | 88.7 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.1 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | A161 N162 L163 R169 | A161-S165 WeakPolarHBondContact O-CB 3.05Å; A161-S165 PolarHBondContact O-N 2.87Å; N162-S165 PolarHBondContact O-N 3.13Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.85Å; S165-R169 VanDerWaalsContact O-CG 3.25Å; S165-R169 WeakPolarHBondContact O-CG 3.46Å; S165-R169 PolarHBondContact O-N 3.09Å; S165-R169 PolarHBondContact OG-NE 2.65Å; S165-R169 PolarHBondContact OG-NH2 3.01Å |
| 166 | R | 90.6 | Very high | 88.6 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -51 | 174.8 | -72 | 171.3 | 172.8 | -81.9 | -0.4 | 111.2 | E27 N162 L163 Q164 A168 R169 S170 L215 | E27-R166 IonicContact OE1-CZ 3.64Å; E27-R166 IonicContact OE1-NH1 2.81Å; E27-R166 PolarHBondContact OE1-NH1 2.62Å; E27-R166 IonicContact OE1-NH2 2.68Å; N162-R166 WeakPolarHBondContact O-CG 3.21Å; N162-R166 PolarHBondContact O-N 3.08Å; N162-R166 WeakPolarHBondContact OD1-CD 3.5Å; N162-R166 PolarHBondContact OD1-NE 3.08Å; L163-R166 WeakPolarHBondContact O-CB 3.19Å; L163-R166 PolarHBondContact O-N 3.35Å; L163-R166 VanDerWaalsContact O-N 3.15Å; Q164-R166 VanDerWaalsContact C-N 3.29Å; Q164-R166 PolarHBondContact O-N 2.68Å; R166-A168 PolarHBondContact O-N 2.94Å; R166-R169 PolarHBondContact O-N 3.43Å; R166-S170 PolarHBondContact O-N 3.04Å; R166-S170 VanDerWaalsContact O-N 3.12Å; R166-S170 PolarHBondContact O-OG 2.93Å; R166-S170 VanDerWaalsContact O-OG 3.05Å; R166-L215 HydrophobicContact CB-CD2 3.99Å |
| 167 | L | 90.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.9 | -40 | 177.8 | -73.4 | 170.2 | 0 | 0 | 0 | 112 | L163 Q164 R169 S170 P189 P200 H202 L215 Y262 | L163-L167 HydrophobicContact CD1-CD1 4.06Å; L163-L167 HydrophobicContact CD1-CG 4.16Å; L163-L167 HydrophobicContact CG-CD1 3.98Å; L163-L167 HydrophobicContact CG-CG 4.5Å; L163-L167 WeakPolarHBondContact O-CG 3.1Å; L163-L167 PolarHBondContact O-N 3.37Å; Q164-L167 PolarHBondContact O-N 2.91Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.91Å; L167-S170 WeakPolarHBondContact CA-OG 3.42Å; L167-S170 PolarHBondContact O-N 2.81Å; L167-S170 PolarHBondContact O-OG 2.99Å; L167-S170 VanDerWaalsContact O-OG 3.06Å; L167-P189 HydrophobicContact CB-CB 4.4Å; L167-P189 HydrophobicContact CD1-CB 4.31Å; L167-P189 HydrophobicContact CD2-CB 4.33Å; L167-P200 HydrophobicContact CD2-CB 4.47Å; L167-H202 PolarHBondContact O-CE1 3.39Å; L167-H202 PolarHBondContact O-NE2 3.37Å; L167-L215 HydrophobicContact CD2-CD1 4.45Å; L167-L215 HydrophobicContact CD2-CD2 4.44Å; L167-Y262 HydrophobicContact CD1-CE2 4.12Å |
| 168 | A | 90.3 | Very high | 88.9 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 72% | 0.719 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -71.1 | -21.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q164 R166 | Q164-A168 VanDerWaalsContact O-CB 3.28Å; Q164-A168 WeakPolarHBondContact O-CB 3.43Å; Q164-A168 PolarHBondContact O-N 2.98Å; R166-A168 PolarHBondContact O-N 2.94Å |
| 169 | R | 89.6 | Confident | 88.7 | Confident | 206 Ų | 206 | 64.3 Ų | 64.3 | 78% | 0.777 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -91.9 | -16.6 | 176.6 | -69.7 | 174.6 | -157.4 | 178.9 | 8.3 | 112.9 | S165 R166 L167 | S165-R169 VanDerWaalsContact O-CG 3.25Å; S165-R169 WeakPolarHBondContact O-CG 3.46Å; S165-R169 PolarHBondContact O-N 3.09Å; S165-R169 PolarHBondContact OG-NE 2.65Å; S165-R169 PolarHBondContact OG-NH2 3.01Å; R166-R169 PolarHBondContact O-N 3.43Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.91Å |
| 170 | S | 89 | Confident | 88.4 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | trans | -100.2 | 156.4 | 176 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | R166 L167 H202 | R166-S170 PolarHBondContact O-N 3.04Å; R166-S170 VanDerWaalsContact O-N 3.12Å; R166-S170 PolarHBondContact O-OG 2.93Å; R166-S170 VanDerWaalsContact O-OG 3.05Å; L167-S170 WeakPolarHBondContact CA-OG 3.42Å; L167-S170 PolarHBondContact O-N 2.81Å; L167-S170 PolarHBondContact O-OG 2.99Å; L167-S170 VanDerWaalsContact O-OG 3.06Å; S170-H202 PolarHBondContact O-NE2 3.01Å; S170-H202 VanDerWaalsContact O-NE2 3.11Å; S170-H202 PolarHBondContact OG-CE1 3.4Å | ||
| 171 | S | 89.9 | Confident | 88.2 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 57% | 0.566 | 41% | 0.407 | S | S | * | . | trans | -141.6 | 163.7 | 168.8 | 51.6 | 0 | 0 | 0 | 0 | 107.8 | D173 E187 | S171-D173 PolarHBondContact O-N 3.11Å; S171-E187 VanDerWaalsContact CA-OE1 3.25Å; S171-E187 WeakPolarHBondContact CA-OE1 3.32Å; S171-E187 VanDerWaalsContact CB-OE1 3.29Å; S171-E187 WeakPolarHBondContact CB-OE1 3.15Å | ||
| 172 | F | 91.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 1% | 0.013 | 39% | 0.388 | C | S | . | . | trans | -56.5 | 129.8 | 176.1 | -175.3 | -89.6 | 0 | 0 | 0 | 110.9 | K174 C176 F177 E187 H202 C204 Y211 Q213 V221 | F172-K174 PolarHBondContact O-N 2.91Å; F172-K174 VanDerWaalsContact O-N 3.16Å; F172-C176 HydrophobicContact CE1-CB 4.14Å; F172-C176 HydrophobicContact CZ-CB 3.89Å; F172-F177 AromaticContact CD1-CE1 3.95Å; F172-F177 HydrophobicContact CD1-CE1 3.95Å; F172-F177 HydrophobicContact CD1-CZ 4.22Å; F172-F177 AromaticContact CE1-CD1 3.89Å; F172-F177 HydrophobicContact CE1-CD1 3.89Å; F172-F177 AromaticContact CE1-CE1 3.33Å; F172-F177 HydrophobicContact CE1-CE1 3.33Å; F172-F177 HydrophobicContact CE1-CZ 4.02Å; F172-F177 HydrophobicContact CZ-CE1 4.21Å; F172-E187 HydrophobicContact CB-CG 3.93Å; F172-E187 PolarHBondContact N-OE1 2.98Å; F172-H202 HydrophobicContact CB-CB 4.3Å; F172-C204 HydrophobicContact CB-CB 4.2Å; F172-C204 HydrophobicContact CD1-CB 3.91Å; F172-C204 HydrophobicContact CD2-CB 3.75Å; F172-C204 HydrophobicContact CE1-CB 4.25Å; F172-C204 HydrophobicContact CE2-CB 4.08Å; F172-C204 HydrophobicContact CG-CB 3.65Å; F172-C204 HydrophobicContact CZ-CB 4.32Å; F172-Y211 VanDerWaalsContact CE2-CB 3.45Å; F172-Y211 HydrophobicContact CE2-CG 4.22Å; F172-Y211 VanDerWaalsContact CZ-CB 3.47Å; F172-Y211 HydrophobicContact CZ-CD1 4.21Å; F172-Y211 HydrophobicContact CZ-CD2 4.16Å; F172-Y211 AromaticContact CZ-CG 3.72Å; F172-Y211 HydrophobicContact CZ-CG 3.72Å; F172-Q213 HydrophobicContact CD2-CB 3.76Å; F172-Q213 HydrophobicContact CE2-CB 3.79Å; F172-V221 HydrophobicContact CE2-CG1 4.35Å | ||
| 173 | D | 89.7 | Confident | 88.3 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -75.9 | 104.3 | 177.7 | -176.3 | 2.6 | 0 | 0 | 0 | 110.1 | S171 N175 C176 | S171-D173 PolarHBondContact O-N 3.11Å; D173-N175 PolarHBondContact O-N 3.27Å; D173-N175 VanDerWaalsContact OD1-CB 3.32Å; D173-N175 WeakPolarHBondContact OD1-CB 3.43Å; D173-N175 PolarHBondContact OD1-N 2.6Å; D173-N175 PolarHBondContact OD1-ND2 2.89Å; D173-C176 VanDerWaalsContact O-CB 3.24Å; D173-C176 WeakPolarHBondContact O-CB 3.37Å; D173-C176 PolarHBondContact O-N 2.85Å; D173-C176 PolarHBondContact O-SG 3.01Å | ||
| 174 | K | 88.3 | Confident | 88.3 | Confident | 127 Ų | 127 | 79.3 Ų | 79.3 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -62.4 | -14.2 | -179.6 | -60.3 | -178.3 | -176.6 | 178.3 | 0 | 113.7 | F172 C176 F177 | F172-K174 PolarHBondContact O-N 2.91Å; F172-K174 VanDerWaalsContact O-N 3.16Å; K174-C176 PolarHBondContact O-N 3.18Å; K174-F177 HydrophobicContact CB-CD2 4.17Å; K174-F177 HydrophobicContact CB-CE2 3.8Å; K174-F177 HydrophobicContact CB-CZ 4.34Å; K174-F177 HydrophobicContact CD-CE2 4.48Å; K174-F177 HydrophobicContact CG-CE2 3.92Å; K174-F177 HydrophobicContact CG-CZ 4.16Å; K174-F177 VanDerWaalsContact O-CD2 3.27Å; K174-F177 WeakPolarHBondContact O-CD2 3.39Å; K174-F177 WeakPolarHBondContact O-CG 3.23Å; K174-F177 PolarHBondContact O-N 3.38Å |
| 175 | N | 88.3 | Confident | 88.4 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 75% | 0.754 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -69.7 | -12.2 | 171.7 | -59.4 | -49.2 | 0 | 0 | 0 | 112.8 | D173 F177 | D173-N175 PolarHBondContact O-N 3.27Å; D173-N175 VanDerWaalsContact OD1-CB 3.32Å; D173-N175 WeakPolarHBondContact OD1-CB 3.43Å; D173-N175 PolarHBondContact OD1-N 2.6Å; D173-N175 PolarHBondContact OD1-ND2 2.89Å; N175-F177 PolarHBondContact O-N 3.02Å |
| 176 | C | 85.7 | Confident | 88.4 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -76.6 | -8.9 | 175 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | F172 D173 K174 V221 | F172-C176 HydrophobicContact CE1-CB 4.14Å; F172-C176 HydrophobicContact CZ-CB 3.89Å; D173-C176 VanDerWaalsContact O-CB 3.24Å; D173-C176 WeakPolarHBondContact O-CB 3.37Å; D173-C176 PolarHBondContact O-N 2.85Å; D173-C176 PolarHBondContact O-SG 3.01Å; K174-C176 PolarHBondContact O-N 3.18Å; C176-V221 HydrophobicContact CB-CG1 4.43Å |
| 177 | F | 89.9 | Confident | 88.6 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | trans | -67.1 | 138.5 | 175.7 | -60.7 | -26.9 | 0 | 0 | 0 | 111 | F172 K174 N175 E182 P184 T206 Y211 | F172-F177 AromaticContact CD1-CE1 3.95Å; F172-F177 HydrophobicContact CD1-CE1 3.95Å; F172-F177 HydrophobicContact CD1-CZ 4.22Å; F172-F177 AromaticContact CE1-CD1 3.89Å; F172-F177 HydrophobicContact CE1-CD1 3.89Å; F172-F177 AromaticContact CE1-CE1 3.33Å; F172-F177 HydrophobicContact CE1-CE1 3.33Å; F172-F177 HydrophobicContact CE1-CZ 4.02Å; F172-F177 HydrophobicContact CZ-CE1 4.21Å; K174-F177 HydrophobicContact CB-CD2 4.17Å; K174-F177 HydrophobicContact CB-CE2 3.8Å; K174-F177 HydrophobicContact CB-CZ 4.34Å; K174-F177 HydrophobicContact CD-CE2 4.48Å; K174-F177 HydrophobicContact CG-CE2 3.92Å; K174-F177 HydrophobicContact CG-CZ 4.16Å; K174-F177 VanDerWaalsContact O-CD2 3.27Å; K174-F177 WeakPolarHBondContact O-CD2 3.39Å; K174-F177 WeakPolarHBondContact O-CG 3.23Å; K174-F177 PolarHBondContact O-N 3.38Å; N175-F177 PolarHBondContact O-N 3.02Å; F177-E182 HydrophobicContact CB-CB 4.42Å; F177-E182 HydrophobicContact CG-CB 4.46Å; F177-P184 HydrophobicContact CE2-CG 4.32Å; F177-P184 HydrophobicContact CZ-CB 4.07Å; F177-P184 HydrophobicContact CZ-CG 4.29Å; F177-T206 HydrophobicContact CD1-CG2 4.16Å; F177-T206 HydrophobicContact CE1-CG2 3.68Å; F177-T206 HydrophobicContact CZ-CG2 4.1Å; F177-Y211 HydrophobicContact CD1-CD2 4.24Å; F177-Y211 AromaticContact CD1-CE2 3.72Å; F177-Y211 HydrophobicContact CD1-CE2 3.72Å; F177-Y211 HydrophobicContact CE1-CD2 4.22Å; F177-Y211 HydrophobicContact CE1-CE2 4.1Å | ||
| 178 | Q | 84 | Confident | 88.8 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 65% | 0.65 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -77.8 | -27.4 | -179.3 | -66.8 | -66.2 | -25.3 | 0 | 0 | 111.9 | E182 | Q178-E182 PolarHBondContact N-OE1 2.87Š|
| 179 | S | 83.3 | Confident | 89 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | trans | -131 | 140.2 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 112 | A181 E182 | S179-A181 PolarHBondContact O-N 3.15Å; S179-A181 VanDerWaalsContact O-N 3.17Å; S179-A181 WeakPolarHBondContact OG-CB 3.44Å; S179-A181 PolarHBondContact OG-N 3.29Å; S179-A181 VanDerWaalsContact OG-N 3.15Å; S179-E182 PolarHBondContact N-OE1 3.39Å; S179-E182 WeakPolarHBondContact O-CB 3.38Å; S179-E182 PolarHBondContact O-N 3.29Å | ||
| 180 | V | 81.1 | Confident | 89.3 | Confident | 156 Ų | 156 | 65.7 Ų | 65.7 | 95% | 0.945 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.1 | 173 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 181 | A | 84.1 | Confident | 89.6 | Confident | 63 Ų | 63 | 64 Ų | 64 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S179 K183 | S179-A181 PolarHBondContact O-N 3.15Å; S179-A181 VanDerWaalsContact O-N 3.17Å; S179-A181 WeakPolarHBondContact OG-CB 3.44Å; S179-A181 PolarHBondContact OG-N 3.29Å; S179-A181 VanDerWaalsContact OG-N 3.15Å; A181-K183 PolarHBondContact O-N 3.09Å |
| 182 | E | 90.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | trans | -65.2 | 129.9 | 177.6 | -74.4 | -178.9 | -107.2 | 0 | 0 | 110.7 | F177 Q178 S179 T206 N207 E208 N209 Y211 | F177-E182 HydrophobicContact CB-CB 4.42Å; F177-E182 HydrophobicContact CG-CB 4.46Å; Q178-E182 PolarHBondContact N-OE1 2.87Å; S179-E182 PolarHBondContact N-OE1 3.39Å; S179-E182 WeakPolarHBondContact O-CB 3.38Å; S179-E182 PolarHBondContact O-N 3.29Å; E182-T206 PolarHBondContact OE2-OG1 3.1Å; E182-T206 VanDerWaalsContact OE2-OG1 3.11Å; E182-N207 WeakPolarHBondContact CA-OD1 3.48Å; E182-E208 HydrophobicContact CG-CB 4.37Å; E182-N209 VanDerWaalsContact CD-ND2 3.32Å; E182-N209 PolarHBondContact OE2-ND2 2.93Å; E182-Y211 PolarHBondContact OE1-OH 2.98Å; E182-Y211 WeakPolarHBondContact OE2-CE2 3.44Å; E182-Y211 PolarHBondContact OE2-OH 3.19Å | ||
| 183 | K | 87.6 | Confident | 89.8 | Confident | 148 Ų | 148 | 61 Ų | 61 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | trans | -112.3 | 120.1 | 177.5 | -67.6 | -178.6 | -177.3 | 176.1 | 0 | 109.2 | A181 H185 T206 N207 | A181-K183 PolarHBondContact O-N 3.09Å; K183-H185 PolarHBondContact O-N 3.08Å; K183-T206 VanDerWaalsContact O-CA 3.26Å; K183-T206 WeakPolarHBondContact O-CA 3.39Å; K183-T206 WeakPolarHBondContact O-CB 3.42Å; K183-N207 PolarHBondContact N-OD1 2.79Å; K183-N207 PolarHBondContact O-N 3.4Å | ||
| 184 | P | 91.3 | Very high | 89.7 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.6 | 173.5 | 27.9 | -32.7 | 0 | 0 | 0 | 110 | F177 | F177-P184 HydrophobicContact CE2-CG 4.32Å; F177-P184 HydrophobicContact CZ-CB 4.07Å; F177-P184 HydrophobicContact CZ-CG 4.29Å |
| 185 | H | 90.2 | Very high | 89.7 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 38% | 0.375 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -43.9 | 174.4 | -71.1 | -54.8 | 0 | 0 | 0 | 111.5 | K183 V205 T206 N207 Y273 F277 | K183-H185 PolarHBondContact O-N 3.08Å; H185-V205 PolarHBondContact N-O 3.01Å; H185-T206 VanDerWaalsContact CD2-C 3.46Å; H185-N207 PolarHBondContact CD2-N 2.95Å; H185-Y273 HydrophobicContact CB-CD1 3.94Å; H185-Y273 HydrophobicContact CB-CE1 3.77Å; H185-Y273 HydrophobicContact CB-CE2 4.47Å; H185-Y273 HydrophobicContact CB-CG 4.37Å; H185-F277 AromaticContact NE2-CZ 3.8Å |
| 186 | M | 91.8 | Very high | 89.7 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.2 | -177.7 | -171 | -178.9 | -179.5 | 0 | 0 | 111.1 | C188 C204 V205 D266 E269 I270 Y273 | M186-C188 HydrophobicContact CE-CB 4.45Å; M186-C204 WeakPolarHBondContact O-CA 3.45Å; M186-V205 PolarHBondContact N-O 3Å; M186-V205 PolarHBondContact O-N 3.44Å; M186-D266 HydrophobicContact CE-CB 4.18Å; M186-E269 HydrophobicContact CE-CB 3.67Å; M186-E269 HydrophobicContact CE-CG 4.48Å; M186-E269 WeakPolarHBondContact CE-OE2 3.26Å; M186-E269 HydrophobicContact SD-CB 3.41Å; M186-E269 WeakPolarHBondContact SD-CB 3.31Å; M186-I270 HydrophobicContact CB-CD1 3.94Å; M186-I270 HydrophobicContact CE-CD1 4.37Å; M186-I270 HydrophobicContact CE-CG1 4.14Å; M186-I270 HydrophobicContact CG-CD1 3.8Å; M186-I270 HydrophobicContact SD-CD1 3.42Å; M186-I270 WeakPolarHBondContact SD-CD1 3.34Å; M186-I270 HydrophobicContact SD-CG1 3.59Å; M186-I270 VanDerWaalsContact SD-CG1 3.59Å; M186-Y273 HydrophobicContact CB-CD2 4.05Å; M186-Y273 HydrophobicContact CB-CE2 3.89Å; M186-Y273 HydrophobicContact SD-CD2 4.29Å; M186-Y273 HydrophobicContact SD-CE2 4.24Å |
| 187 | E | 94.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.7 | 172.6 | -176.7 | -166.9 | 149.7 | 0 | 0 | 109.1 | S171 F172 H202 V203 | S171-E187 VanDerWaalsContact CA-OE1 3.25Å; S171-E187 WeakPolarHBondContact CA-OE1 3.32Å; S171-E187 VanDerWaalsContact CB-OE1 3.29Å; S171-E187 WeakPolarHBondContact CB-OE1 3.15Å; F172-E187 HydrophobicContact CB-CG 3.93Å; F172-E187 PolarHBondContact N-OE1 2.98Å; E187-H202 IonicContact OE1-CD2 2.73Å; E187-H202 PolarHBondContact OE1-CD2 2.94Å; E187-V203 VanDerWaalsContact CA-O 3.28Å; E187-V203 WeakPolarHBondContact CA-O 3.41Å |
| 188 | C | 94.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 157.9 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 112 | M186 V203 | M186-C188 HydrophobicContact CE-CB 4.45Å; C188-V203 PolarHBondContact N-O 2.8Å; C188-V203 VanDerWaalsContact N-O 3.14Å; C188-V203 PolarHBondContact O-N 3.07Å; C188-V203 WeakPolarHBondContact SG-CG1 3.42Å |
| 189 | P | 95.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 135.4 | 174.5 | 30.6 | -34.4 | 0 | 0 | 0 | 110.8 | L167 G201 Y262 | L167-P189 HydrophobicContact CB-CB 4.4Å; L167-P189 HydrophobicContact CD1-CB 4.31Å; L167-P189 HydrophobicContact CD2-CB 4.33Å; P189-G201 WeakPolarHBondContact CA-O 3.49Å; P189-Y262 HydrophobicContact CB-CD2 4.36Å; P189-Y262 HydrophobicContact CB-CE2 4.11Å; P189-Y262 HydrophobicContact CG-CD2 4.28Å; P189-Y262 HydrophobicContact CG-CE2 4.5Å; P189-Y262 WeakPolarHBondContact O-CD2 3.23Å |
| 190 | V | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 167.8 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | G201 V203 F212 L259 F261 | V190-G201 PolarHBondContact N-O 3.4Å; V190-G201 CarbonylContact O-C 3.51Å; V190-G201 PolarHBondContact O-N 2.87Å; V190-V203 HydrophobicContact CB-CG1 4.44Å; V190-V203 HydrophobicContact CG1-CB 4.29Å; V190-V203 HydrophobicContact CG1-CG1 3.57Å; V190-V203 HydrophobicContact CG2-CB 3.73Å; V190-V203 HydrophobicContact CG2-CG1 3.96Å; V190-F212 HydrophobicContact CG2-CD2 3.83Å; V190-F212 HydrophobicContact CG2-CE2 3.81Å; V190-L259 HydrophobicContact CG2-CD2 3.94Å; V190-F261 HydrophobicContact CG1-CD1 3.45Å; V190-F261 VanDerWaalsContact CG1-CD1 3.45Å; V190-F261 HydrophobicContact CG1-CD2 4.48Å; V190-F261 HydrophobicContact CG1-CE1 3.41Å; V190-F261 VanDerWaalsContact CG1-CE1 3.41Å; V190-F261 HydrophobicContact CG1-CE2 4.43Å; V190-F261 HydrophobicContact CG1-CG 4.02Å; V190-F261 HydrophobicContact CG1-CZ 3.93Å |
| 191 | E | 94.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.1 | 168.6 | -67.8 | 170.9 | -148.6 | 0 | 0 | 109.6 | V193 S198 N199 P200 K260 Y262 | E191-V193 PolarHBondContact O-N 3.39Å; E191-S198 PolarHBondContact OE2-OG 3.34Å; E191-N199 CarbonylContact C-O 3.54Å; E191-N199 WeakPolarHBondContact CA-O 3.07Å; E191-P200 HydrophobicContact CG-CB 4.27Å; E191-P200 HydrophobicContact CG-CG 4.24Å; E191-K260 HydrophobicContact CB-CB 4.34Å; E191-K260 HydrophobicContact CB-CD 4.25Å; E191-K260 PolarHBondContact N-O 3.4Å; E191-K260 PolarHBondContact O-N 3.3Å; E191-K260 IonicContact OE1-NZ 3.93Å; E191-K260 PolarHBondContact OE1-NZ 3.34Å; E191-K260 IonicContact OE2-NZ 3.44Å; E191-K260 PolarHBondContact OE2-NZ 2.85Å; E191-Y262 WeakPolarHBondContact CG-OH 3.38Å; E191-Y262 WeakPolarHBondContact OE1-CE1 3.1Å; E191-Y262 PolarHBondContact OE1-OH 3.15Å |
| 192 | M | 93.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.069 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.1 | 168.3 | -179.8 | -179.2 | 75.9 | 0 | 0 | 108.9 | M194 S198 N199 F212 P219 I222 I257 Y258 L259 | M192-M194 HydrophobicContact CE-CG 3.84Å; M192-M194 HydrophobicContact CE-SD 3.46Å; M192-M194 WeakPolarHBondContact CE-SD 3.21Å; M192-S198 CarbonylContact O-C 3.58Å; M192-S198 VanDerWaalsContact O-CA 3.31Å; M192-S198 WeakPolarHBondContact O-CA 3.24Å; M192-N199 HydrophobicContact CE-CB 4.36Å; M192-N199 PolarHBondContact N-O 3.27Å; M192-N199 PolarHBondContact O-N 2.57Å; M192-F212 HydrophobicContact CB-CD1 4.07Å; M192-F212 HydrophobicContact CB-CE1 3.41Å; M192-F212 VanDerWaalsContact CB-CE1 3.41Å; M192-F212 HydrophobicContact CB-CE2 4.03Å; M192-F212 HydrophobicContact CB-CZ 3.42Å; M192-F212 VanDerWaalsContact CB-CZ 3.42Å; M192-F212 HydrophobicContact CE-CE1 4.19Å; M192-F212 HydrophobicContact CG-CE1 4.16Å; M192-F212 HydrophobicContact SD-CD1 3.89Å; M192-F212 HydrophobicContact SD-CE1 3.75Å; M192-P219 HydrophobicContact CE-CG 4.3Å; M192-I222 HydrophobicContact CE-CD1 4.29Å; M192-I222 HydrophobicContact SD-CD1 3.38Å; M192-I222 WeakPolarHBondContact SD-CD1 3.09Å; M192-I257 HydrophobicContact CG-CG1 4.29Å; M192-I257 HydrophobicContact SD-CG1 4.43Å; M192-Y258 CarbonylContact C-O 3.52Å; M192-Y258 WeakPolarHBondContact CA-O 3.4Å; M192-L259 HydrophobicContact CB-CD2 4.38Å |
| 193 | V | 91.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.4 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | E191 Y258 K260 D318 | E191-V193 PolarHBondContact O-N 3.39Å; V193-Y258 HydrophobicContact CB-CD1 4.46Å; V193-Y258 HydrophobicContact CB-CD2 3.74Å; V193-Y258 HydrophobicContact CB-CE2 4.27Å; V193-Y258 HydrophobicContact CB-CG 3.88Å; V193-Y258 HydrophobicContact CG1-CG 4.47Å; V193-Y258 HydrophobicContact CG2-CD2 3.66Å; V193-Y258 HydrophobicContact CG2-CE2 3.88Å; V193-Y258 HydrophobicContact CG2-CG 4.33Å; V193-Y258 PolarHBondContact N-O 2.76Å; V193-K260 HydrophobicContact CG2-CB 3.57Å; V193-D318 HydrophobicContact CG1-CB 4.45Å |
| 194 | M | 88.3 | Confident | 92.6 | Very high | 51 Ų | 51 | 23.9 Ų | 23.9 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 163.8 | 172.2 | -57.9 | 179.6 | 68.8 | 0 | 0 | 108.7 | L16 M192 L196 V197 N317 | L16-M194 HydrophobicContact CD1-SD 4.1Å; M192-M194 HydrophobicContact CE-CG 3.84Å; M192-M194 HydrophobicContact CE-SD 3.46Å; M192-M194 WeakPolarHBondContact CE-SD 3.21Å; M194-L196 PolarHBondContact O-N 3.4Å; M194-V197 CarbonylContact C-O 3.48Å; M194-V197 WeakPolarHBondContact CA-O 3.42Å; M194-V197 HydrophobicContact CB-CG2 3.96Å; M194-V197 WeakPolarHBondContact CB-O 2.97Å; M194-V197 PolarHBondContact N-O 3Å; M194-V197 PolarHBondContact O-N 3.44Å; M194-V197 VanDerWaalsContact O-N 3.16Å; M194-N317 CarbonylContact C-O 3.53Å |
| 195 | P | 88.4 | Confident | 92.7 | Very high | 17 Ų | 17 | 21 Ų | 21 | 11% | 0.11 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 117.6 | 175.6 | -30.6 | 38.4 | 0 | 0 | 0 | 112 | V197 N317 L319 | P195-V197 PolarHBondContact O-N 2.88Å; P195-V197 VanDerWaalsContact O-N 3.17Å; P195-N317 VanDerWaalsContact N-O 3.13Å; P195-L319 HydrophobicContact CB-CD1 4.16Å; P195-L319 HydrophobicContact CB-CD2 3.98Å; P195-L319 HydrophobicContact CB-CG 3.86Å |
| 196 | L | 87.6 | Confident | 92.8 | Very high | 48 Ų | 48 | 17.2 Ų | 17.2 | 25% | 0.251 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -17.2 | -176.2 | -56.7 | 177.8 | 0 | 0 | 0 | 118 | M194 L319 P384 L388 H398 C401 L402 | M194-L196 PolarHBondContact O-N 3.4Å; L196-L319 HydrophobicContact CD1-CD1 4.47Å; L196-L319 HydrophobicContact CD2-CD1 3.89Å; L196-L319 HydrophobicContact CG-CD1 3.8Å; L196-P384 HydrophobicContact CD2-CB 4.05Å; L196-L388 HydrophobicContact CD1-CD1 3.9Å; L196-H398 HydrophobicContact CD1-CB 4.21Å; L196-H398 VanDerWaalsContact CD1-O 3.31Å; L196-H398 WeakPolarHBondContact CD1-O 3.28Å; L196-C401 HydrophobicContact CD1-CB 4.06Å; L196-L402 HydrophobicContact CD1-CB 4.09Å; L196-L402 HydrophobicContact CD2-CD1 4.08Å |
| 197 | V | 88.4 | Confident | 92.7 | Very high | 22 Ų | 22 | 18.5 Ų | 18.5 | 13% | 0.133 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 150 | -172.2 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | L16 L17 M194 P195 | L16-V197 HydrophobicContact CB-CB 4.46Å; L16-V197 HydrophobicContact CB-CG2 3.9Å; L17-V197 HydrophobicContact CD2-CG1 4.24Å; L17-V197 HydrophobicContact CD2-CG2 4.28Å; M194-V197 CarbonylContact C-O 3.48Å; M194-V197 WeakPolarHBondContact CA-O 3.42Å; M194-V197 HydrophobicContact CB-CG2 3.96Å; M194-V197 WeakPolarHBondContact CB-O 2.97Å; M194-V197 PolarHBondContact N-O 3Å; M194-V197 PolarHBondContact O-N 3.44Å; M194-V197 VanDerWaalsContact O-N 3.16Å; P195-V197 PolarHBondContact O-N 2.88Å; P195-V197 VanDerWaalsContact O-N 3.17Å |
| 198 | S | 89.5 | Confident | 92.5 | Very high | 35 Ų | 35 | 19.5 Ų | 19.5 | 25% | 0.245 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147 | 171.6 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | E191 M192 | E191-S198 PolarHBondContact OE2-OG 3.34Å; M192-S198 CarbonylContact O-C 3.58Å; M192-S198 VanDerWaalsContact O-CA 3.31Å; M192-S198 WeakPolarHBondContact O-CA 3.24Å |
| 199 | N | 92 | Very high | 92.3 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.9 | -179.4 | -163.5 | 15 | 0 | 0 | 0 | 110.2 | L16 E191 M192 F212 N216 H218 | L16-N199 HydrophobicContact CD1-CB 3.72Å; E191-N199 CarbonylContact C-O 3.54Å; E191-N199 WeakPolarHBondContact CA-O 3.07Å; M192-N199 HydrophobicContact CE-CB 4.36Å; M192-N199 PolarHBondContact N-O 3.27Å; M192-N199 PolarHBondContact O-N 2.57Å; N199-F212 WeakPolarHBondContact O-CZ 3.18Å; N199-N216 PolarHBondContact OD1-ND2 2.75Å; N199-H218 PolarHBondContact ND2-O 3.35Å |
| 200 | P | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 145.9 | 179.1 | -19.7 | 31.9 | 0 | 0 | 0 | 113.1 | Y24 L163 L167 E191 L215 | Y24-P200 HydrophobicContact CD1-CG 3.42Å; Y24-P200 VanDerWaalsContact CD1-CG 3.42Å; Y24-P200 HydrophobicContact CE1-CG 3.7Å; Y24-P200 HydrophobicContact CG-CG 4.36Å; L163-P200 HydrophobicContact CD1-CB 3.69Å; L163-P200 HydrophobicContact CD1-CG 3.73Å; L163-P200 HydrophobicContact CD2-CB 4.34Å; L163-P200 HydrophobicContact CD2-CG 3.87Å; L163-P200 HydrophobicContact CG-CG 4.45Å; L167-P200 HydrophobicContact CD2-CB 4.47Å; E191-P200 HydrophobicContact CG-CB 4.27Å; E191-P200 HydrophobicContact CG-CG 4.24Å; P200-L215 WeakPolarHBondContact O-CB 3.39Å; P200-L215 PolarHBondContact O-N 3.13Å |
| 201 | G | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | -160.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P189 V190 Q213 | P189-G201 WeakPolarHBondContact CA-O 3.49Å; V190-G201 PolarHBondContact N-O 3.4Å; V190-G201 CarbonylContact O-C 3.51Å; V190-G201 PolarHBondContact O-N 2.87Å; G201-Q213 CarbonylContact C-O 3.44Å; G201-Q213 WeakPolarHBondContact CA-O 3.35Å |
| 202 | H | 95.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 5% | 0.051 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.8 | 178.5 | -68.3 | 63.3 | 0 | 0 | 0 | 109.7 | L167 S170 F172 E187 F212 Q213 | L167-H202 PolarHBondContact O-CE1 3.39Å; L167-H202 PolarHBondContact O-NE2 3.37Å; S170-H202 PolarHBondContact O-NE2 3.01Å; S170-H202 VanDerWaalsContact O-NE2 3.11Å; S170-H202 PolarHBondContact OG-CE1 3.4Å; F172-H202 HydrophobicContact CB-CB 4.3Å; E187-H202 IonicContact OE1-CD2 2.73Å; E187-H202 PolarHBondContact OE1-CD2 2.94Å; H202-F212 WeakPolarHBondContact O-CA 3.35Å; H202-Q213 PolarHBondContact N-O 3.12Å; H202-Q213 PolarHBondContact O-N 2.91Å |
| 203 | V | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.8 | 166.3 | 66.8 | 0 | 0 | 0 | 0 | 108.9 | E187 C188 V190 L210 Y211 L259 F261 I270 | E187-V203 VanDerWaalsContact CA-O 3.28Å; E187-V203 WeakPolarHBondContact CA-O 3.41Å; C188-V203 PolarHBondContact N-O 2.8Å; C188-V203 VanDerWaalsContact N-O 3.14Å; C188-V203 PolarHBondContact O-N 3.07Å; C188-V203 WeakPolarHBondContact SG-CG1 3.42Å; V190-V203 HydrophobicContact CB-CG1 4.44Å; V190-V203 HydrophobicContact CG1-CB 4.29Å; V190-V203 HydrophobicContact CG1-CG1 3.57Å; V190-V203 HydrophobicContact CG2-CB 3.73Å; V190-V203 HydrophobicContact CG2-CG1 3.96Å; V203-L210 HydrophobicContact CG2-CD1 3.41Å; V203-L210 VanDerWaalsContact CG2-CD1 3.41Å; V203-Y211 CarbonylContact C-O 3.56Å; V203-Y211 VanDerWaalsContact CA-O 3.31Å; V203-Y211 WeakPolarHBondContact CA-O 3.5Å; V203-Y211 WeakPolarHBondContact CG2-O 3.49Å; V203-L259 HydrophobicContact CB-CD1 4.1Å; V203-L259 HydrophobicContact CG2-CD1 3.64Å; V203-F261 HydrophobicContact CG1-CE1 4.25Å; V203-I270 HydrophobicContact CG1-CD1 4.15Å; V203-I270 HydrophobicContact CG1-CG1 4.31Å |
| 204 | C | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127 | 171.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | F172 M186 Y211 | F172-C204 HydrophobicContact CB-CB 4.2Å; F172-C204 HydrophobicContact CD1-CB 3.91Å; F172-C204 HydrophobicContact CD2-CB 3.75Å; F172-C204 HydrophobicContact CE1-CB 4.25Å; F172-C204 HydrophobicContact CE2-CB 4.08Å; F172-C204 HydrophobicContact CG-CB 3.65Å; F172-C204 HydrophobicContact CZ-CB 4.32Å; M186-C204 WeakPolarHBondContact O-CA 3.45Å; C204-Y211 PolarHBondContact N-O 3.02Å; C204-Y211 PolarHBondContact O-N 3.42Å |
| 205 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | H185 M186 L210 L226 I270 I274 | H185-V205 PolarHBondContact N-O 3.01Å; M186-V205 PolarHBondContact N-O 3Å; M186-V205 PolarHBondContact O-N 3.44Å; V205-L210 HydrophobicContact CG2-CD1 3.5Å; V205-L226 HydrophobicContact CG1-CD1 4.36Å; V205-I270 HydrophobicContact CB-CD1 4.31Å; V205-I270 HydrophobicContact CG2-CD1 3.69Å; V205-I270 HydrophobicContact CG2-CG2 4.06Å; V205-I274 HydrophobicContact CG2-CG1 4.34Å |
| 206 | T | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -175.9 | 174.1 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | F177 E182 K183 H185 E208 N209 Y211 L226 | F177-T206 HydrophobicContact CD1-CG2 4.16Å; F177-T206 HydrophobicContact CE1-CG2 3.68Å; F177-T206 HydrophobicContact CZ-CG2 4.1Å; E182-T206 PolarHBondContact OE2-OG1 3.1Å; E182-T206 VanDerWaalsContact OE2-OG1 3.11Å; K183-T206 VanDerWaalsContact O-CA 3.26Å; K183-T206 WeakPolarHBondContact O-CA 3.39Å; K183-T206 WeakPolarHBondContact O-CB 3.42Å; H185-T206 VanDerWaalsContact CD2-C 3.46Å; T206-E208 PolarHBondContact O-N 2.96Å; T206-E208 PolarHBondContact OG1-N 3.33Å; T206-N209 PolarHBondContact N-O 3.37Å; T206-N209 PolarHBondContact OG1-N 3.29Å; T206-N209 PolarHBondContact OG1-O 2.92Å; T206-Y211 HydrophobicContact CG2-CD2 4.16Å; T206-Y211 HydrophobicContact CG2-CE2 3.89Å; T206-L226 VanDerWaalsContact O-CD1 3.3Å; T206-L226 WeakPolarHBondContact O-CD1 3.41Å |
| 207 | N | 89.4 | Confident | 92.1 | Very high | 49 Ų | 49 | 17.7 Ų | 17.7 | 26% | 0.262 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -71.3 | -7.4 | 171.8 | 64.4 | -62.3 | 0 | 0 | 0 | 114.1 | E182 K183 H185 F277 | E182-N207 WeakPolarHBondContact CA-OD1 3.48Å; K183-N207 PolarHBondContact N-OD1 2.79Å; K183-N207 PolarHBondContact O-N 3.4Å; H185-N207 PolarHBondContact CD2-N 2.95Å; N207-F277 HydrophobicContact CB-CE1 4.43Å; N207-F277 HydrophobicContact CB-CZ 4.15Å; N207-F277 WeakPolarHBondContact O-CE1 3.41Å |
| 208 | E | 89.1 | Confident | 91.7 | Very high | 92 Ų | 92 | 17.6 Ų | 17.6 | 43% | 0.43 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -128.5 | -31.1 | -177.9 | -68.2 | -175.6 | -171.6 | 0 | 0 | 113.5 | E182 T206 L226 | E182-E208 HydrophobicContact CG-CB 4.37Å; T206-E208 PolarHBondContact O-N 2.96Å; T206-E208 PolarHBondContact OG1-N 3.33Å; E208-L226 WeakPolarHBondContact O-CB 3.46Å; E208-L226 PolarHBondContact O-N 3.5Å |
| 209 | N | 92.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.032 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149.9 | -167.5 | -64.6 | -72.7 | 0 | 0 | 0 | 112.8 | E182 T206 Y211 Q223 I224 K225 | E182-N209 VanDerWaalsContact CD-ND2 3.32Å; E182-N209 PolarHBondContact OE2-ND2 2.93Å; T206-N209 PolarHBondContact N-O 3.37Å; T206-N209 PolarHBondContact OG1-N 3.29Å; T206-N209 PolarHBondContact OG1-O 2.92Å; N209-Y211 HydrophobicContact CB-CD2 3.96Å; N209-Y211 HydrophobicContact CB-CE1 4.34Å; N209-Y211 HydrophobicContact CB-CE2 3.34Å; N209-Y211 PolarHBondContact ND2-OH 3.14Å; N209-Q223 HydrophobicContact CB-CG 4.47Å; N209-Q223 PolarHBondContact OD1-NE2 3.02Å; N209-I224 CarbonylContact C-O 3.54Å; N209-I224 WeakPolarHBondContact CA-O 3.03Å; N209-K225 WeakPolarHBondContact OD1-CG 3.24Å |
| 210 | L | 93.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.5 | 160.9 | 169.6 | 68.8 | 0 | 0 | 0 | 108 | V203 V205 I224 L226 V246 I257 I274 | V203-L210 HydrophobicContact CG2-CD1 3.41Å; V203-L210 VanDerWaalsContact CG2-CD1 3.41Å; V205-L210 HydrophobicContact CG2-CD1 3.5Å; L210-I224 HydrophobicContact CB-CB 4.33Å; L210-I224 HydrophobicContact CD2-CD1 4.39Å; L210-I224 PolarHBondContact N-O 3.3Å; L210-I224 PolarHBondContact O-N 2.95Å; L210-L226 HydrophobicContact CB-CD2 4.03Å; L210-V246 HydrophobicContact CD2-CG1 4.41Å; L210-V246 HydrophobicContact CD2-CG2 4.05Å; L210-I257 HydrophobicContact CD2-CG2 4.16Å; L210-I274 HydrophobicContact CD1-CD1 4.27Å; L210-I274 HydrophobicContact CD2-CD1 4.04Å |
| 211 | Y | 95 | Very high | 90.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.1 | 175.8 | -62.4 | -85.1 | 0 | 0 | 0 | 111.3 | F172 F177 E182 V203 C204 T206 N209 V221 I222 Q223 | F172-Y211 VanDerWaalsContact CE2-CB 3.45Å; F172-Y211 HydrophobicContact CE2-CG 4.22Å; F172-Y211 VanDerWaalsContact CZ-CB 3.47Å; F172-Y211 HydrophobicContact CZ-CD1 4.21Å; F172-Y211 HydrophobicContact CZ-CD2 4.16Å; F172-Y211 AromaticContact CZ-CG 3.72Å; F172-Y211 HydrophobicContact CZ-CG 3.72Å; F177-Y211 HydrophobicContact CD1-CD2 4.24Å; F177-Y211 AromaticContact CD1-CE2 3.72Å; F177-Y211 HydrophobicContact CD1-CE2 3.72Å; F177-Y211 HydrophobicContact CE1-CD2 4.22Å; F177-Y211 HydrophobicContact CE1-CE2 4.1Å; E182-Y211 PolarHBondContact OE1-OH 2.98Å; E182-Y211 WeakPolarHBondContact OE2-CE2 3.44Å; E182-Y211 PolarHBondContact OE2-OH 3.19Å; V203-Y211 CarbonylContact C-O 3.56Å; V203-Y211 VanDerWaalsContact CA-O 3.31Å; V203-Y211 WeakPolarHBondContact CA-O 3.5Å; V203-Y211 WeakPolarHBondContact CG2-O 3.49Å; C204-Y211 PolarHBondContact N-O 3.02Å; C204-Y211 PolarHBondContact O-N 3.42Å; T206-Y211 HydrophobicContact CG2-CD2 4.16Å; T206-Y211 HydrophobicContact CG2-CE2 3.89Å; N209-Y211 HydrophobicContact CB-CD2 3.96Å; N209-Y211 HydrophobicContact CB-CE1 4.34Å; N209-Y211 HydrophobicContact CB-CE2 3.34Å; N209-Y211 PolarHBondContact ND2-OH 3.14Å; Y211-V221 HydrophobicContact CD1-CG1 4.21Å; Y211-I222 CarbonylContact C-O 3.57Å; Y211-I222 VanDerWaalsContact CA-O 3.29Å; Y211-I222 WeakPolarHBondContact CA-O 3.33Å; Y211-Q223 HydrophobicContact CD1-CB 3.89Å; Y211-Q223 HydrophobicContact CD1-CG 3.94Å; Y211-Q223 HydrophobicContact CE1-CB 3.85Å; Y211-Q223 HydrophobicContact CE1-CG 3.5Å; Y211-Q223 VanDerWaalsContact CE1-CG 3.5Å |
| 212 | F | 95.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122 | 164.8 | 171.2 | -102.9 | 0 | 0 | 0 | 110 | V190 M192 N199 H202 P214 V221 I222 I257 L259 | V190-F212 HydrophobicContact CG2-CD2 3.83Å; V190-F212 HydrophobicContact CG2-CE2 3.81Å; M192-F212 HydrophobicContact CB-CD1 4.07Å; M192-F212 HydrophobicContact CB-CE1 3.41Å; M192-F212 VanDerWaalsContact CB-CE1 3.41Å; M192-F212 HydrophobicContact CB-CE2 4.03Å; M192-F212 HydrophobicContact CB-CZ 3.42Å; M192-F212 VanDerWaalsContact CB-CZ 3.42Å; M192-F212 HydrophobicContact CE-CE1 4.19Å; M192-F212 HydrophobicContact CG-CE1 4.16Å; M192-F212 HydrophobicContact SD-CD1 3.89Å; M192-F212 HydrophobicContact SD-CE1 3.75Å; N199-F212 WeakPolarHBondContact O-CZ 3.18Å; H202-F212 WeakPolarHBondContact O-CA 3.35Å; F212-P214 HydrophobicContact CD1-CG 4.23Å; F212-P214 HydrophobicContact CE1-CB 4.44Å; F212-P214 HydrophobicContact CE1-CG 3.67Å; F212-P214 HydrophobicContact CZ-CG 4.33Å; F212-V221 WeakPolarHBondContact O-CA 3.37Å; F212-I222 HydrophobicContact CB-CB 4.33Å; F212-I222 HydrophobicContact CD1-CD1 4.06Å; F212-I222 HydrophobicContact CD1-CG1 4.43Å; F212-I222 PolarHBondContact N-O 2.9Å; F212-I222 PolarHBondContact O-N 3Å; F212-I257 HydrophobicContact CB-CD1 3.55Å; F212-I257 HydrophobicContact CD1-CD1 4.34Å; F212-I257 HydrophobicContact CG-CD1 4.01Å; F212-L259 HydrophobicContact CD2-CD2 3.9Å; F212-L259 HydrophobicContact CE2-CD2 4.4Å; F212-L259 HydrophobicContact CG-CD2 4.28Å |
| 213 | Q | 94.5 | Very high | 90.1 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 20% | 0.201 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.2 | 178.9 | 176.4 | 172.3 | 8.3 | 0 | 0 | 110.1 | F172 G201 H202 V221 | F172-Q213 HydrophobicContact CD2-CB 3.76Å; F172-Q213 HydrophobicContact CE2-CB 3.79Å; G201-Q213 CarbonylContact C-O 3.44Å; G201-Q213 WeakPolarHBondContact CA-O 3.35Å; H202-Q213 PolarHBondContact N-O 3.12Å; H202-Q213 PolarHBondContact O-N 2.91Å; Q213-V221 HydrophobicContact CB-CG1 4.45Å; Q213-V221 HydrophobicContact CB-CG2 4.11Å; Q213-V221 HydrophobicContact CG-CG2 3.96Å |
| 214 | P | 92.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 143.1 | 173.1 | -24.9 | 36.5 | 0 | 0 | 0 | 112.5 | F212 N216 G217 P219 | F212-P214 HydrophobicContact CD1-CG 4.23Å; F212-P214 HydrophobicContact CE1-CB 4.44Å; F212-P214 HydrophobicContact CE1-CG 3.67Å; F212-P214 HydrophobicContact CZ-CG 4.33Å; P214-N216 VanDerWaalsContact CB-OD1 3.24Å; P214-N216 WeakPolarHBondContact CB-OD1 3.4Å; P214-N216 PolarHBondContact O-N 3.42Å; P214-G217 PolarHBondContact O-N 3.35Å; P214-P219 VanDerWaalsContact CG-O 3.31Å; P214-P219 WeakPolarHBondContact CG-O 3.47Å |
| 215 | L | 91.2 | Very high | 89.7 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.5 | 177.3 | -177.1 | 68.4 | 0 | 0 | 0 | 112.3 | F26 L163 R166 L167 P200 | F26-L215 HydrophobicContact CD1-CD2 4.4Å; L163-L215 HydrophobicContact CD1-CD2 3.97Å; R166-L215 HydrophobicContact CB-CD2 3.99Å; L167-L215 HydrophobicContact CD2-CD1 4.45Å; L167-L215 HydrophobicContact CD2-CD2 4.44Å; P200-L215 WeakPolarHBondContact O-CB 3.39Å; P200-L215 PolarHBondContact O-N 3.13Å |
| 216 | N | 87.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.2 | -178.7 | 54.5 | 22.6 | 0 | 0 | 0 | 114.1 | Y25 F26 N199 P214 H218 | Y25-N216 HydrophobicContact CD1-CB 3.67Å; Y25-N216 WeakPolarHBondContact CD1-ND2 3.4Å; Y25-N216 HydrophobicContact CD2-CB 4.47Å; Y25-N216 HydrophobicContact CE1-CB 3.74Å; Y25-N216 HydrophobicContact CG-CB 4.04Å; Y25-N216 WeakPolarHBondContact O-CB 3.36Å; Y25-N216 PolarHBondContact O-ND2 3Å; Y25-N216 VanDerWaalsContact O-ND2 3.14Å; F26-N216 WeakPolarHBondContact O-CA 3.48Å; N199-N216 PolarHBondContact OD1-ND2 2.75Å; P214-N216 VanDerWaalsContact CB-OD1 3.24Å; P214-N216 WeakPolarHBondContact CB-OD1 3.4Å; P214-N216 PolarHBondContact O-N 3.42Å; N216-H218 VanDerWaalsContact C-N 3.26Å; N216-H218 PolarHBondContact O-N 2.97Å; N216-H218 PolarHBondContact OD1-N 2.68Å; N216-H218 PolarHBondContact OD1-O 3.38Å |
| 217 | G | 81.9 | Confident | 89.1 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 45% | 0.454 | 22% | 0.223 | S | C | . | . | trans | 69 | 15.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P214 P219 | P214-G217 PolarHBondContact O-N 3.35Å; G217-P219 CarbonylContact C-O 3.44Å; G217-P219 VanDerWaalsContact C-O 3.27Å | ||
| 218 | H | 79.1 | Confident | 89 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | trans | -131.4 | 123.1 | 176.4 | -179.6 | 89.8 | 0 | 0 | 0 | 111.3 | E12 Y25 N199 N216 | E12-H218 IonicContact OE2-CE1 3.85Å; E12-H218 PolarHBondContact OE2-CE1 2.95Å; E12-H218 IonicContact OE2-ND1 3.3Å; E12-H218 PolarHBondContact OE2-ND1 3.11Å; Y25-H218 HydrophobicContact CE1-CB 3.93Å; N199-H218 PolarHBondContact ND2-O 3.35Å; N216-H218 VanDerWaalsContact C-N 3.26Å; N216-H218 PolarHBondContact O-N 2.97Å; N216-H218 PolarHBondContact OD1-N 2.68Å; N216-H218 PolarHBondContact OD1-O 3.38Å | ||
| 219 | P | 78.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 22% | 0.221 | 21% | 0.211 | C | C | . | . | S | Bend | cis | -65.5 | -179.7 | -5.4 | 30.4 | -36 | 0 | 0 | 0 | 111.8 | M192 P214 G217 I222 | M192-P219 HydrophobicContact CE-CG 4.3Å; P214-P219 VanDerWaalsContact CG-O 3.31Å; P214-P219 WeakPolarHBondContact CG-O 3.47Å; G217-P219 CarbonylContact C-O 3.44Å; G217-P219 VanDerWaalsContact C-O 3.27Å; P219-I222 HydrophobicContact CG-CD1 4.38Å |
| 220 | H | 83.8 | Confident | 88.4 | Confident | 148 Ų | 148 | 45.7 Ų | 45.7 | 69% | 0.685 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 161.9 | 172 | -68 | 62.1 | 0 | 0 | 0 | 110.2 | I222 | H220-I222 PolarHBondContact O-N 3.33Å; H220-I222 VanDerWaalsContact O-N 3.15Å |
| 221 | V | 88.8 | Confident | 87.9 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -49.4 | 123.2 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | F172 C176 Y211 F212 Q213 | F172-V221 HydrophobicContact CE2-CG1 4.35Å; C176-V221 HydrophobicContact CB-CG1 4.43Å; Y211-V221 HydrophobicContact CD1-CG1 4.21Å; F212-V221 WeakPolarHBondContact O-CA 3.37Å; Q213-V221 HydrophobicContact CB-CG1 4.45Å; Q213-V221 HydrophobicContact CB-CG2 4.11Å; Q213-V221 HydrophobicContact CG-CG2 3.96Å |
| 222 | I | 90.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.7 | 177.4 | -59.8 | 179.1 | 0 | 0 | 0 | 107.5 | M192 Y211 F212 P219 H220 I224 I257 | M192-I222 HydrophobicContact CE-CD1 4.29Å; M192-I222 HydrophobicContact SD-CD1 3.38Å; M192-I222 WeakPolarHBondContact SD-CD1 3.09Å; Y211-I222 CarbonylContact C-O 3.57Å; Y211-I222 VanDerWaalsContact CA-O 3.29Å; Y211-I222 WeakPolarHBondContact CA-O 3.33Å; F212-I222 HydrophobicContact CB-CB 4.33Å; F212-I222 HydrophobicContact CD1-CD1 4.06Å; F212-I222 HydrophobicContact CD1-CG1 4.43Å; F212-I222 PolarHBondContact N-O 2.9Å; F212-I222 PolarHBondContact O-N 3Å; P219-I222 HydrophobicContact CG-CD1 4.38Å; H220-I222 PolarHBondContact O-N 3.33Å; H220-I222 VanDerWaalsContact O-N 3.15Å; I222-I224 HydrophobicContact CG2-CG1 4.43Å; I222-I257 HydrophobicContact CD1-CD1 4.48Å; I222-I257 HydrophobicContact CG2-CD1 4.38Å |
| 223 | Q | 91.4 | Very high | 87.1 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.5 | 177.3 | 177.5 | 179.7 | -3.6 | 0 | 0 | 109.5 | N209 Y211 | N209-Q223 HydrophobicContact CB-CG 4.47Å; N209-Q223 PolarHBondContact OD1-NE2 3.02Å; Y211-Q223 HydrophobicContact CD1-CB 3.89Å; Y211-Q223 HydrophobicContact CD1-CG 3.94Å; Y211-Q223 HydrophobicContact CE1-CB 3.85Å; Y211-Q223 HydrophobicContact CE1-CG 3.5Å; Y211-Q223 VanDerWaalsContact CE1-CG 3.5Å |
| 224 | I | 91.3 | Very high | 87 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.3 | 173.8 | -64.9 | 174.3 | 0 | 0 | 0 | 107.9 | N209 L210 I222 V229 C248 D256 I257 | N209-I224 CarbonylContact C-O 3.54Å; N209-I224 WeakPolarHBondContact CA-O 3.03Å; L210-I224 HydrophobicContact CB-CB 4.33Å; L210-I224 HydrophobicContact CD2-CD1 4.39Å; L210-I224 PolarHBondContact N-O 3.3Å; L210-I224 PolarHBondContact O-N 2.95Å; I222-I224 HydrophobicContact CG2-CG1 4.43Å; I224-V229 HydrophobicContact CG2-CG2 3.84Å; I224-C248 WeakPolarHBondContact CG2-SG 3.37Å; I224-D256 HydrophobicContact CD1-CB 3.87Å; I224-I257 HydrophobicContact CD1-CB 3.98Å; I224-I257 HydrophobicContact CD1-CG2 3.48Å; I224-I257 VanDerWaalsContact CD1-CG2 3.48Å |
| 225 | K | 90.1 | Very high | 86.9 | Confident | 97 Ų | 97 | 50.3 Ų | 50.3 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.6 | 174.5 | -60.6 | -175.4 | -173.3 | 160.1 | 0 | 109.7 | N209 N227 E228 V229 | N209-K225 WeakPolarHBondContact OD1-CG 3.24Å; K225-N227 WeakPolarHBondContact CB-OD1 3.36Å; K225-N227 PolarHBondContact O-N 2.96Å; K225-E228 HydrophobicContact CB-CB 4.34Å; K225-E228 HydrophobicContact CB-CG 4.1Å; K225-E228 IonicContact NZ-OE1 3.26Å; K225-E228 PolarHBondContact O-N 3.33Å; K225-V229 PolarHBondContact O-N 2.7Å |
| 226 | L | 88.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -63.5 | -31 | -176.6 | -66.7 | 177.7 | 0 | 0 | 0 | 112.5 | V205 T206 E208 L210 E228 V229 I274 F277 | V205-L226 HydrophobicContact CG1-CD1 4.36Å; T206-L226 VanDerWaalsContact O-CD1 3.3Å; T206-L226 WeakPolarHBondContact O-CD1 3.41Å; E208-L226 WeakPolarHBondContact O-CB 3.46Å; E208-L226 PolarHBondContact O-N 3.5Å; L210-L226 HydrophobicContact CB-CD2 4.03Å; L226-E228 VanDerWaalsContact C-N 3.28Å; L226-E228 PolarHBondContact O-N 3.49Å; L226-V229 WeakPolarHBondContact O-CB 3.08Å; L226-V229 PolarHBondContact O-N 3.38Å; L226-I274 HydrophobicContact CD2-CG1 4.12Å; L226-I274 HydrophobicContact CD2-CG2 4.26Å; L226-F277 HydrophobicContact CB-CB 4.15Å; L226-F277 HydrophobicContact CD1-CB 4.16Å; L226-F277 HydrophobicContact CD1-CD2 3.68Å; L226-F277 HydrophobicContact CD1-CE2 4.26Å; L226-F277 HydrophobicContact CD1-CG 3.92Å |
| 227 | N | 85.7 | Confident | 87 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -72.7 | -17.1 | 176 | 67.4 | -8.5 | 0 | 0 | 0 | 114.3 | K225 | K225-N227 WeakPolarHBondContact CB-OD1 3.36Å; K225-N227 PolarHBondContact O-N 2.96Å |
| 228 | E | 86.8 | Confident | 87.2 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 43% | 0.425 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -86.7 | -17.2 | 175.5 | -71.2 | 175.6 | -172.2 | 0 | 0 | 111.5 | K225 L226 R230 C248 | K225-E228 HydrophobicContact CB-CB 4.34Å; K225-E228 HydrophobicContact CB-CG 4.1Å; K225-E228 IonicContact NZ-OE1 3.26Å; K225-E228 PolarHBondContact O-N 3.33Å; L226-E228 VanDerWaalsContact C-N 3.28Å; L226-E228 PolarHBondContact O-N 3.49Å; E228-R230 PolarHBondContact O-N 3.26Å; E228-C248 HydrophobicContact CB-CB 4.47Å; E228-C248 WeakPolarHBondContact O-CA 3.24Å; E228-C248 WeakPolarHBondContact O-CB 3.33Å |
| 229 | V | 87.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | trans | -62.9 | 135.2 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | I224 K225 L226 I232 V246 I274 L278 | I224-V229 HydrophobicContact CG2-CG2 3.84Å; K225-V229 PolarHBondContact O-N 2.7Å; L226-V229 WeakPolarHBondContact O-CB 3.08Å; L226-V229 PolarHBondContact O-N 3.38Å; V229-I232 HydrophobicContact CG1-CG2 3.64Å; V229-V246 HydrophobicContact CB-CG1 4.46Å; V229-V246 HydrophobicContact CG1-CG1 3.79Å; V229-V246 HydrophobicContact CG2-CG1 3.83Å; V229-I274 HydrophobicContact CG1-CG2 4.15Å; V229-I274 HydrophobicContact CG2-CG2 4.49Å; V229-L278 HydrophobicContact CB-CD2 4.27Å; V229-L278 HydrophobicContact CG1-CD1 4.31Å; V229-L278 HydrophobicContact CG1-CD2 4.24Å; V229-L278 WeakPolarHBondContact O-CD2 3.31Å | ||
| 230 | R | 82.3 | Confident | 87.9 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | trans | -120.2 | -37.8 | -179.8 | -60 | -63 | 175.4 | 169.5 | -4.3 | 112.6 | E228 F247 C248 E250 | E228-R230 PolarHBondContact O-N 3.26Å; R230-F247 PolarHBondContact N-O 3.4Å; R230-C248 VanDerWaalsContact CG-O 3.28Å; R230-C248 WeakPolarHBondContact CG-O 3.35Å; R230-E250 HydrophobicContact CB-CG 4.26Å; R230-E250 HydrophobicContact CG-CG 4.21Å | ||
| 231 | R | 83.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143 | 178.3 | -56.3 | 172.9 | -74.3 | 142.9 | -2 | 110.1 | Y233 F247 T249 E250 N252 | R231-Y233 HydrophobicContact CB-CE2 3.89Å; R231-F247 HydrophobicContact CB-CB 4.07Å; R231-F247 HydrophobicContact CB-CD2 4.31Å; R231-F247 HydrophobicContact CB-CG 4.45Å; R231-F247 PolarHBondContact N-O 2.99Å; R231-F247 PolarHBondContact O-N 3.11Å; R231-T249 PolarHBondContact NH2-O 2.6Å; R231-E250 PolarHBondContact NE-O 3.02Å; R231-E250 VanDerWaalsContact NE-O 3.14Å; R231-E250 PolarHBondContact NH2-O 3.15Å; R231-N252 PolarHBondContact NH2-O 2.96Å |
| 232 | I | 87.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.9 | 171.7 | 54.4 | 176.7 | 0 | 0 | 0 | 107.8 | V229 E245 V246 Y271 I274 A275 L278 | V229-I232 HydrophobicContact CG1-CG2 3.64Å; I232-E245 CarbonylContact C-O 3.27Å; I232-E245 WeakPolarHBondContact CA-O 3.47Å; I232-V246 HydrophobicContact CG2-CB 4.47Å; I232-V246 HydrophobicContact CG2-CG1 4.17Å; I232-V246 HydrophobicContact CG2-CG2 4.16Å; I232-Y271 HydrophobicContact CB-CE2 4.36Å; I232-Y271 HydrophobicContact CD1-CD2 3.81Å; I232-Y271 HydrophobicContact CD1-CE2 3.52Å; I232-Y271 HydrophobicContact CD1-CG 4.43Å; I232-Y271 HydrophobicContact CG1-CD2 4.25Å; I232-Y271 HydrophobicContact CG1-CE2 3.69Å; I232-I274 HydrophobicContact CD1-CB 4.49Å; I232-I274 HydrophobicContact CD1-CG2 4.29Å; I232-I274 HydrophobicContact CG2-CG2 3.75Å; I232-A275 HydrophobicContact CD1-CB 3.84Å; I232-L278 HydrophobicContact CD1-CD1 4.05Å; I232-L278 HydrophobicContact CG1-CD1 4.31Å |
| 233 | Y | 87.5 | Confident | 88.7 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 9% | 0.09 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.6 | 178.7 | -66.2 | -72.7 | 0 | 0 | 0 | 110.5 | R231 R235 L244 E245 F247 | R231-Y233 HydrophobicContact CB-CE2 3.89Å; Y233-R235 VanDerWaalsContact CB-CZ 3.46Å; Y233-L244 WeakPolarHBondContact O-CA 3.17Å; Y233-E245 PolarHBondContact N-O 3.31Å; Y233-E245 PolarHBondContact O-N 3.14Å; Y233-F247 AromaticContact CD2-CD2 3.96Å; Y233-F247 HydrophobicContact CD2-CD2 3.96Å; Y233-F247 AromaticContact CD2-CE2 3.57Å; Y233-F247 HydrophobicContact CD2-CE2 3.57Å; Y233-F247 HydrophobicContact CD2-CZ 4.42Å; Y233-F247 HydrophobicContact CE2-CD2 4.21Å; Y233-F247 HydrophobicContact CE2-CE2 4.03Å |
| 234 | K | 91.1 | Very high | 88.8 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.7 | 164.1 | -61 | -176 | -175.2 | -170.1 | 0 | 107.8 | D268 Y271 | K234-D268 WeakPolarHBondContact CE-OD1 3.43Å; K234-D268 IonicContact NZ-OD1 3.62Å; K234-D268 PolarHBondContact NZ-OD1 2.94Å; K234-Y271 HydrophobicContact CD-CD2 4.29Å; K234-Y271 HydrophobicContact CD-CE2 4.5Å; K234-Y271 HydrophobicContact CD-CG 4.46Å; K234-Y271 VanDerWaalsContact CE-CD1 3.41Å; K234-Y271 HydrophobicContact CG-CD2 3.73Å; K234-Y271 HydrophobicContact CG-CE2 3.98Å; K234-Y271 HydrophobicContact CG-CG 4.32Å |
| 235 | R | 91.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 159.7 | -176.2 | -59.9 | -60.1 | -169 | -163.4 | 10.6 | 111.9 | Y233 G243 E245 Y258 N310 | Y233-R235 VanDerWaalsContact CB-CZ 3.46Å; R235-G243 PolarHBondContact N-O 2.92Å; R235-G243 WeakPolarHBondContact O-CA 3.2Å; R235-G243 PolarHBondContact O-N 2.72Å; R235-E245 HydrophobicContact CG-CB 3.8Å; R235-E245 IonicContact CZ-OE2 2.71Å; R235-E245 VanDerWaalsContact CZ-OE2 3.28Å; R235-E245 IonicContact NE-OE2 3.24Å; R235-E245 PolarHBondContact NE-OE2 3.27Å; R235-E245 IonicContact NH2-OE2 3.27Å; R235-E245 PolarHBondContact NH2-OE2 3.38Å; R235-Y258 HydrophobicContact CB-CE1 4.44Å; R235-Y258 HydrophobicContact CB-CE2 4.44Å; R235-Y258 WeakPolarHBondContact CB-OH 3.39Å; R235-Y258 HydrophobicContact CG-CE1 4.33Å; R235-N310 PolarHBondContact NH1-O 2.93Å; R235-N310 PolarHBondContact NH2-OD1 2.77Å |
| 236 | R | 90.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.038 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 140.7 | 163.1 | -67.3 | 172 | -62.7 | 155 | 22.5 | 109.5 | R240 Y258 A312 D313 Q321 E525 | R236-R240 CarbonylContact C-O 3.52Å; R236-R240 WeakPolarHBondContact CA-O 3.39Å; R236-Y258 PolarHBondContact O-OH 2.7Å; R236-Y258 VanDerWaalsContact O-OH 3.05Å; R236-A312 PolarHBondContact NH2-O 3.05Å; R236-D313 IonicContact CZ-OD2 2.81Å; R236-D313 IonicContact NE-OD2 2.7Å; R236-D313 PolarHBondContact NE-OD2 3.27Å; R236-D313 IonicContact NH2-OD2 3.79Å; R236-Q321 PolarHBondContact O-NE2 3.19Å; R236-Q321 PolarHBondContact O-OE1 2.94Å; R236-E525 IonicContact CZ-OE2 3.57Å; R236-E525 IonicContact NE-OE2 2.98Å; R236-E525 IonicContact NH1-OE2 2.91Å; R236-E525 PolarHBondContact NH1-OE2 2.55Å |
| 237 | H | 89.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.5 | 168.4 | -176 | 75 | 0 | 0 | 0 | 108.7 | L239 R240 K260 D318 | H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 3.39Å; H237-R240 PolarHBondContact N-O 3.43Å; H237-R240 PolarHBondContact O-N 2.97Å; H237-R240 VanDerWaalsContact O-N 3.16Å; H237-K260 VanDerWaalsContact CD2-CD 3.49Å; H237-K260 WeakPolarHBondContact CD2-CD 3.07Å; H237-D318 IonicContact CE1-OD2 3.88Å; H237-D318 IonicContact ND1-OD2 3.58Å; H237-D318 PolarHBondContact ND1-OD2 3.15Å |
| 238 | G | 85.8 | Confident | 88.8 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 47.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R240 | G238-R240 PolarHBondContact O-N 2.78Å; G238-R240 VanDerWaalsContact O-N 3.07Å |
| 239 | L | 86.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 14.3 | -176.7 | -57.6 | 175.6 | 0 | 0 | 0 | 116.4 | H237 L522 I546 Q551 | H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 3.39Å; L239-L522 WeakPolarHBondContact CD1-O 3.49Å; L239-I546 HydrophobicContact CD1-CD1 4.37Å; L239-I546 HydrophobicContact CD1-CG1 4.46Å; L239-I546 HydrophobicContact CD1-CG2 3.99Å; L239-I546 HydrophobicContact CG-CG2 4Å; L239-Q551 HydrophobicContact CD2-CB 4.08Å; L239-Q551 HydrophobicContact CD2-CG 4.1Å; L239-Q551 HydrophobicContact CG-CG 4.26Å |
| 240 | R | 87.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 33.1 Ų | 33.1 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.2 | 177.1 | -69.9 | -177.4 | -75.8 | -175.7 | -2.7 | 111.8 | R236 H237 G238 L242 D531 | R236-R240 CarbonylContact C-O 3.52Å; R236-R240 WeakPolarHBondContact CA-O 3.39Å; H237-R240 PolarHBondContact N-O 3.43Å; H237-R240 PolarHBondContact O-N 2.97Å; H237-R240 VanDerWaalsContact O-N 3.16Å; G238-R240 PolarHBondContact O-N 2.78Å; G238-R240 VanDerWaalsContact O-N 3.07Å; R240-L242 HydrophobicContact CB-CD1 3.95Å; R240-L242 HydrophobicContact CB-CG 3.99Å; R240-L242 PolarHBondContact O-N 3.17Å; R240-D531 IonicContact NH1-OD1 2.68Å |
| 241 | P | 91.4 | Very high | 86.3 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 41% | 0.409 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 60.9 | -174.8 | 34.7 | -38.5 | 0 | 0 | 0 | 112.3 | R267 | P241-R267 PolarHBondContact O-NH1 3.18Å |
| 242 | L | 92.8 | Very high | 85.6 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -7.2 | -172.7 | -65 | 176.6 | 0 | 0 | 0 | 113.6 | R240 F261 P264 | R240-L242 HydrophobicContact CB-CD1 3.95Å; R240-L242 HydrophobicContact CB-CG 3.99Å; R240-L242 PolarHBondContact O-N 3.17Å; L242-F261 WeakPolarHBondContact O-CD2 3.1Å; L242-F261 PolarHBondContact O-N 2.94Å; L242-P264 HydrophobicContact CD2-CG 3.92Å |
| 243 | G | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 148.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R235 L259 R267 | R235-G243 PolarHBondContact N-O 2.92Å; R235-G243 WeakPolarHBondContact O-CA 3.2Å; R235-G243 PolarHBondContact O-N 2.72Å; G243-L259 CarbonylContact C-O 3.56Å; G243-L259 WeakPolarHBondContact CA-O 3.46Å; G243-R267 WeakPolarHBondContact O-CD 3.28Å |
| 244 | L | 94.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129.6 | 166.3 | -177.5 | 62.9 | 0 | 0 | 0 | 108.5 | Y233 L259 F261 R267 I270 Y271 I274 | Y233-L244 WeakPolarHBondContact O-CA 3.17Å; L244-L259 PolarHBondContact N-O 2.78Å; L244-L259 PolarHBondContact O-N 3.5Å; L244-F261 HydrophobicContact CB-CD2 4.41Å; L244-F261 HydrophobicContact CB-CE2 3.65Å; L244-F261 HydrophobicContact CD2-CE2 4.17Å; L244-F261 HydrophobicContact CD2-CZ 4.24Å; L244-R267 HydrophobicContact CB-CG 4.15Å; L244-I270 HydrophobicContact CD2-CB 4.37Å; L244-I270 HydrophobicContact CD2-CG2 3.66Å; L244-Y271 HydrophobicContact CD1-CD2 3.71Å; L244-Y271 HydrophobicContact CD1-CG 4.46Å; L244-I274 HydrophobicContact CD2-CD1 4.2Å |
| 245 | E | 92.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.4 | -176.8 | -164.7 | 176.9 | -146.4 | 0 | 0 | 110.3 | I232 Y233 R235 F247 S255 Y258 S315 N317 | I232-E245 CarbonylContact C-O 3.27Å; I232-E245 WeakPolarHBondContact CA-O 3.47Å; Y233-E245 PolarHBondContact N-O 3.31Å; Y233-E245 PolarHBondContact O-N 3.14Å; R235-E245 HydrophobicContact CG-CB 3.8Å; R235-E245 IonicContact CZ-OE2 2.71Å; R235-E245 VanDerWaalsContact CZ-OE2 3.28Å; R235-E245 IonicContact NE-OE2 3.24Å; R235-E245 PolarHBondContact NE-OE2 3.27Å; R235-E245 IonicContact NH2-OE2 3.27Å; R235-E245 PolarHBondContact NH2-OE2 3.38Å; E245-F247 HydrophobicContact CB-CE2 4.07Å; E245-F247 VanDerWaalsContact CD-CZ 3.45Å; E245-F247 HydrophobicContact CG-CD2 4.37Å; E245-F247 HydrophobicContact CG-CE2 3.48Å; E245-F247 VanDerWaalsContact CG-CE2 3.48Å; E245-F247 HydrophobicContact CG-CZ 3.84Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.43Å; E245-S255 VanDerWaalsContact CG-OG 3.24Å; E245-S255 WeakPolarHBondContact CG-OG 3.43Å; E245-S255 WeakPolarHBondContact OE1-CB 3.35Å; E245-S255 PolarHBondContact OE1-OG 3.49Å; E245-Y258 HydrophobicContact CG-CD1 4.27Å; E245-Y258 HydrophobicContact CG-CG 4.44Å; E245-S315 WeakPolarHBondContact OE1-CB 3.31Å; E245-S315 PolarHBondContact OE1-OG 3.18Å; E245-N317 PolarHBondContact OE1-ND2 2.89Å |
| 246 | V | 90.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.3 | -171.8 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | L210 V229 I232 S255 D256 I257 I274 | L210-V246 HydrophobicContact CD2-CG1 4.41Å; L210-V246 HydrophobicContact CD2-CG2 4.05Å; V229-V246 HydrophobicContact CB-CG1 4.46Å; V229-V246 HydrophobicContact CG1-CG1 3.79Å; V229-V246 HydrophobicContact CG2-CG1 3.83Å; I232-V246 HydrophobicContact CG2-CB 4.47Å; I232-V246 HydrophobicContact CG2-CG1 4.17Å; I232-V246 HydrophobicContact CG2-CG2 4.16Å; V246-S255 WeakPolarHBondContact O-CB 3.25Å; V246-D256 PolarHBondContact O-N 3.25Å; V246-I257 HydrophobicContact CB-CG2 3.81Å; V246-I257 HydrophobicContact CG2-CG2 4.1Å; V246-I257 PolarHBondContact N-O 3.25Å; V246-I257 PolarHBondContact O-N 2.67Å; V246-I274 HydrophobicContact CG2-CD1 4.28Å |
| 247 | F | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.1 | -177.5 | -60.1 | -106.1 | 0 | 0 | 0 | 110.3 | R230 R231 Y233 E245 S255 D256 | R230-F247 PolarHBondContact N-O 3.4Å; R231-F247 HydrophobicContact CB-CB 4.07Å; R231-F247 HydrophobicContact CB-CD2 4.31Å; R231-F247 HydrophobicContact CB-CG 4.45Å; R231-F247 PolarHBondContact N-O 2.99Å; R231-F247 PolarHBondContact O-N 3.11Å; Y233-F247 AromaticContact CD2-CD2 3.96Å; Y233-F247 HydrophobicContact CD2-CD2 3.96Å; Y233-F247 AromaticContact CD2-CE2 3.57Å; Y233-F247 HydrophobicContact CD2-CE2 3.57Å; Y233-F247 HydrophobicContact CD2-CZ 4.42Å; Y233-F247 HydrophobicContact CE2-CD2 4.21Å; Y233-F247 HydrophobicContact CE2-CE2 4.03Å; E245-F247 HydrophobicContact CB-CE2 4.07Å; E245-F247 VanDerWaalsContact CD-CZ 3.45Å; E245-F247 HydrophobicContact CG-CD2 4.37Å; E245-F247 HydrophobicContact CG-CE2 3.48Å; E245-F247 VanDerWaalsContact CG-CE2 3.48Å; E245-F247 HydrophobicContact CG-CZ 3.84Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.43Å; F247-S255 VanDerWaalsContact CE1-CA 3.49Å; F247-D256 WeakPolarHBondContact CA-OD2 3.17Å |
| 248 | C | 83.9 | Confident | 83.6 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -99.2 | -9.6 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | I224 E228 R230 D256 | I224-C248 WeakPolarHBondContact CG2-SG 3.37Å; E228-C248 HydrophobicContact CB-CB 4.47Å; E228-C248 WeakPolarHBondContact O-CA 3.24Å; E228-C248 WeakPolarHBondContact O-CB 3.33Å; R230-C248 VanDerWaalsContact CG-O 3.28Å; R230-C248 WeakPolarHBondContact CG-O 3.35Å; C248-D256 WeakPolarHBondContact CB-OD2 3.5Å; C248-D256 PolarHBondContact N-OD2 3.19Å |
| 249 | T | 76.7 | Confident | 84.1 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -119.3 | 136.3 | 176.6 | 16.3 | 0 | 0 | 0 | 0 | 111.3 | R231 | R231-T249 PolarHBondContact NH2-O 2.6Š|
| 250 | E | 64.6 | Low | 84.5 | Confident | 108 Ų | 108 | 32.2 Ų | 32.2 | 51% | 0.505 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -44.7 | -173.9 | -69.7 | -177.8 | 171.7 | 0 | 0 | 112.8 | R230 R231 | R230-E250 HydrophobicContact CB-CG 4.26Å; R230-E250 HydrophobicContact CG-CG 4.21Å; R231-E250 PolarHBondContact NE-O 3.02Å; R231-E250 VanDerWaalsContact NE-O 3.14Å; R231-E250 PolarHBondContact NH2-O 3.15Å |
| 251 | N | 62.8 | Low | 84.9 | Confident | 155 Ų | 155 | 28.5 Ų | 28.5 | 83% | 0.829 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 13.3 | -170 | -64.4 | -19.2 | 0 | 0 | 0 | 114.4 | ||
| 252 | N | 69.3 | Low | 85 | Confident | 36 Ų | 36 | 28.4 Ų | 28.4 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | trans | -86.9 | 135.9 | -179.1 | -153.2 | -10.3 | 0 | 0 | 0 | 111.7 | R231 C254 | R231-N252 PolarHBondContact NH2-O 2.96Å; N252-C254 PolarHBondContact OD1-N 3Å | ||
| 253 | L | 67.8 | Low | 84.9 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.11 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -71.8 | -35.7 | 173.5 | -96.1 | 131.4 | 0 | 0 | 0 | 111.8 | A2 L306 P323 P436 | A2-L253 HydrophobicContact CB-CB 3.87Å; A2-L253 HydrophobicContact CB-CD1 3.98Å; L253-L306 HydrophobicContact CD1-CD1 4.38Å; L253-L306 HydrophobicContact CD1-CD2 4.2Å; L253-L306 HydrophobicContact CD2-CD1 3.21Å; L253-L306 HydrophobicContact CD2-CD2 4.47Å; L253-L306 HydrophobicContact CD2-CG 4.46Å; L253-L306 HydrophobicContact CG-CD1 3.59Å; L253-L306 HydrophobicContact CG-CD2 3.97Å; L253-L306 HydrophobicContact CG-CG 4.43Å; L253-P323 HydrophobicContact CD2-CG 4.47Å; L253-P436 HydrophobicContact CD2-CG 4.39Å |
| 254 | C | 74.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -93.9 | 134.9 | 179.7 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | A2 N252 C316 | A2-C254 PolarHBondContact O-SG 2.86Å; N252-C254 PolarHBondContact OD1-N 3Å; C254-C316 HydrophobicContact CB-CB 4.45Å; C254-C316 WeakPolarHBondContact SG-CB 3.43Å |
| 255 | S | 82.6 | Confident | 84.8 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | trans | -74.2 | 163.5 | 173.8 | 79.7 | 0 | 0 | 0 | 0 | 111.8 | E245 V246 F247 I257 N317 | E245-S255 VanDerWaalsContact CG-OG 3.24Å; E245-S255 WeakPolarHBondContact CG-OG 3.43Å; E245-S255 WeakPolarHBondContact OE1-CB 3.35Å; E245-S255 PolarHBondContact OE1-OG 3.49Å; V246-S255 WeakPolarHBondContact O-CB 3.25Å; F247-S255 VanDerWaalsContact CE1-CA 3.49Å; S255-I257 VanDerWaalsContact OG-C 3.31Å; S255-I257 PolarHBondContact OG-O 3.03Å; S255-I257 VanDerWaalsContact OG-O 3.12Å; S255-N317 PolarHBondContact OG-ND2 3.41Å | ||
| 256 | D | 86.3 | Confident | 84.9 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -78.4 | -31.4 | 172.9 | -66.5 | -91.4 | 0 | 0 | 0 | 111 | K5 I224 V246 F247 C248 | K5-D256 IonicContact NZ-OD1 3.15Å; K5-D256 PolarHBondContact NZ-OD1 3.38Å; I224-D256 HydrophobicContact CD1-CB 3.87Å; V246-D256 PolarHBondContact O-N 3.25Å; F247-D256 WeakPolarHBondContact CA-OD2 3.17Å; C248-D256 WeakPolarHBondContact CB-OD2 3.5Å; C248-D256 PolarHBondContact N-OD2 3.19Å |
| 257 | I | 90.9 | Very high | 85.2 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 143.5 | 172.1 | -165.9 | 166.5 | 0 | 0 | 0 | 111.1 | M192 L210 F212 I222 I224 V246 S255 L259 | M192-I257 HydrophobicContact CG-CG1 4.29Å; M192-I257 HydrophobicContact SD-CG1 4.43Å; L210-I257 HydrophobicContact CD2-CG2 4.16Å; F212-I257 HydrophobicContact CB-CD1 3.55Å; F212-I257 HydrophobicContact CD1-CD1 4.34Å; F212-I257 HydrophobicContact CG-CD1 4.01Å; I222-I257 HydrophobicContact CD1-CD1 4.48Å; I222-I257 HydrophobicContact CG2-CD1 4.38Å; I224-I257 HydrophobicContact CD1-CB 3.98Å; I224-I257 HydrophobicContact CD1-CG2 3.48Å; I224-I257 VanDerWaalsContact CD1-CG2 3.48Å; V246-I257 HydrophobicContact CB-CG2 3.81Å; V246-I257 HydrophobicContact CG2-CG2 4.1Å; V246-I257 PolarHBondContact N-O 3.25Å; V246-I257 PolarHBondContact O-N 2.67Å; S255-I257 VanDerWaalsContact OG-C 3.31Å; S255-I257 PolarHBondContact OG-O 3.03Å; S255-I257 VanDerWaalsContact OG-O 3.12Å; I257-L259 HydrophobicContact CD1-CD2 3.61Å; I257-L259 HydrophobicContact CD1-CG 4.15Å; I257-L259 HydrophobicContact CG1-CD2 3.8Å; I257-L259 HydrophobicContact CG1-CG 4.1Å |
| 258 | Y | 93.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.5 | 167.6 | -170.6 | 145.5 | 0 | 0 | 0 | 107.7 | M192 V193 R235 R236 E245 N317 D318 | M192-Y258 CarbonylContact C-O 3.52Å; M192-Y258 WeakPolarHBondContact CA-O 3.4Å; V193-Y258 HydrophobicContact CB-CD1 4.46Å; V193-Y258 HydrophobicContact CB-CD2 3.74Å; V193-Y258 HydrophobicContact CB-CE2 4.27Å; V193-Y258 HydrophobicContact CB-CG 3.88Å; V193-Y258 HydrophobicContact CG1-CG 4.47Å; V193-Y258 HydrophobicContact CG2-CD2 3.66Å; V193-Y258 HydrophobicContact CG2-CE2 3.88Å; V193-Y258 HydrophobicContact CG2-CG 4.33Å; V193-Y258 PolarHBondContact N-O 2.76Å; R235-Y258 HydrophobicContact CB-CE1 4.44Å; R235-Y258 HydrophobicContact CB-CE2 4.44Å; R235-Y258 WeakPolarHBondContact CB-OH 3.39Å; R235-Y258 HydrophobicContact CG-CE1 4.33Å; R236-Y258 PolarHBondContact O-OH 2.7Å; R236-Y258 VanDerWaalsContact O-OH 3.05Å; E245-Y258 HydrophobicContact CG-CD1 4.27Å; E245-Y258 HydrophobicContact CG-CG 4.44Å; Y258-N317 HydrophobicContact CD1-CB 3.94Å; Y258-N317 HydrophobicContact CG-CB 4.43Å; Y258-D318 HydrophobicContact CE1-CB 4.34Å |
| 259 | L | 95.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.4 | 175 | -59.2 | 178.4 | 0 | 0 | 0 | 111.6 | V190 M192 V203 F212 G243 L244 I257 F261 | V190-L259 HydrophobicContact CG2-CD2 3.94Å; M192-L259 HydrophobicContact CB-CD2 4.38Å; V203-L259 HydrophobicContact CB-CD1 4.1Å; V203-L259 HydrophobicContact CG2-CD1 3.64Å; F212-L259 HydrophobicContact CD2-CD2 3.9Å; F212-L259 HydrophobicContact CE2-CD2 4.4Å; F212-L259 HydrophobicContact CG-CD2 4.28Å; G243-L259 CarbonylContact C-O 3.56Å; G243-L259 WeakPolarHBondContact CA-O 3.46Å; L244-L259 PolarHBondContact N-O 2.78Å; L244-L259 PolarHBondContact O-N 3.5Å; I257-L259 HydrophobicContact CD1-CD2 3.61Å; I257-L259 HydrophobicContact CD1-CG 4.15Å; I257-L259 HydrophobicContact CG1-CD2 3.8Å; I257-L259 HydrophobicContact CG1-CG 4.1Å; L259-F261 HydrophobicContact CB-CD2 4.44Å; L259-F261 HydrophobicContact CB-CE2 3.74Å; L259-F261 HydrophobicContact CB-CZ 4.27Å; L259-F261 HydrophobicContact CD1-CZ 4.34Å |
| 260 | K | 95.3 | Very high | 86.6 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.6 | 168.2 | 168.7 | -159.7 | 169.4 | -165.8 | 0 | 108.4 | E191 V193 H237 | E191-K260 HydrophobicContact CB-CB 4.34Å; E191-K260 HydrophobicContact CB-CD 4.25Å; E191-K260 PolarHBondContact N-O 3.4Å; E191-K260 PolarHBondContact O-N 3.3Å; E191-K260 IonicContact OE1-NZ 3.93Å; E191-K260 PolarHBondContact OE1-NZ 3.34Å; E191-K260 IonicContact OE2-NZ 3.44Å; E191-K260 PolarHBondContact OE2-NZ 2.85Å; V193-K260 HydrophobicContact CG2-CB 3.57Å; H237-K260 VanDerWaalsContact CD2-CD 3.49Å; H237-K260 WeakPolarHBondContact CD2-CD 3.07Å |
| 261 | F | 95.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 154.9 | 178.3 | -67.4 | -100.1 | 0 | 0 | 0 | 111.1 | V190 V203 L242 L244 L259 D266 R267 I270 | V190-F261 HydrophobicContact CG1-CD1 3.45Å; V190-F261 VanDerWaalsContact CG1-CD1 3.45Å; V190-F261 HydrophobicContact CG1-CD2 4.48Å; V190-F261 HydrophobicContact CG1-CE1 3.41Å; V190-F261 VanDerWaalsContact CG1-CE1 3.41Å; V190-F261 HydrophobicContact CG1-CE2 4.43Å; V190-F261 HydrophobicContact CG1-CG 4.02Å; V190-F261 HydrophobicContact CG1-CZ 3.93Å; V203-F261 HydrophobicContact CG1-CE1 4.25Å; L242-F261 WeakPolarHBondContact O-CD2 3.1Å; L242-F261 PolarHBondContact O-N 2.94Å; L244-F261 HydrophobicContact CB-CD2 4.41Å; L244-F261 HydrophobicContact CB-CE2 3.65Å; L244-F261 HydrophobicContact CD2-CE2 4.17Å; L244-F261 HydrophobicContact CD2-CZ 4.24Å; L259-F261 HydrophobicContact CB-CD2 4.44Å; L259-F261 HydrophobicContact CB-CE2 3.74Å; L259-F261 HydrophobicContact CB-CZ 4.27Å; L259-F261 HydrophobicContact CD1-CZ 4.34Å; F261-D266 HydrophobicContact CD1-CB 3.8Å; F261-D266 HydrophobicContact CE1-CB 4.42Å; F261-R267 HydrophobicContact CB-CB 4.02Å; F261-R267 HydrophobicContact CD1-CB 4.12Å; F261-R267 HydrophobicContact CD2-CB 3.58Å; F261-R267 HydrophobicContact CD2-CG 3.81Å; F261-R267 HydrophobicContact CE2-CB 4.07Å; F261-R267 HydrophobicContact CE2-CG 4.06Å; F261-R267 HydrophobicContact CG-CB 3.62Å; F261-R267 HydrophobicContact CG-CG 4.37Å; F261-I270 HydrophobicContact CE1-CB 4.17Å; F261-I270 HydrophobicContact CE1-CG1 3.77Å; F261-I270 HydrophobicContact CZ-CB 3.99Å; F261-I270 HydrophobicContact CZ-CG1 4.03Å; F261-I270 HydrophobicContact CZ-CG2 4.06Å |
| 262 | Y | 91.6 | Very high | 89.2 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -78.1 | -30.3 | 171.4 | -64.1 | -71.6 | 0 | 0 | 0 | 111.9 | L167 P189 E191 | L167-Y262 HydrophobicContact CD1-CE2 4.12Å; P189-Y262 HydrophobicContact CB-CD2 4.36Å; P189-Y262 HydrophobicContact CB-CE2 4.11Å; P189-Y262 HydrophobicContact CG-CD2 4.28Å; P189-Y262 HydrophobicContact CG-CE2 4.5Å; P189-Y262 WeakPolarHBondContact O-CD2 3.23Å; E191-Y262 WeakPolarHBondContact CG-OH 3.38Å; E191-Y262 WeakPolarHBondContact OE1-CE1 3.1Å; E191-Y262 PolarHBondContact OE1-OH 3.15Å |
| 263 | Y | 91.6 | Very high | 90.1 | Very high | 154 Ų | 154 | 44.6 Ų | 44.6 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -129.6 | 137 | -178.7 | -55.2 | -73.9 | 0 | 0 | 0 | 111.3 | A265 D266 R267 | Y263-A265 PolarHBondContact O-N 3.04Å; Y263-D266 WeakPolarHBondContact CD2-OD2 3.08Å; Y263-D266 PolarHBondContact O-N 3.27Å; Y263-R267 PolarHBondContact O-N 3.34Å |
| 264 | P | 93.1 | Very high | 91 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -30.2 | 176.4 | -24.3 | 33.5 | 0 | 0 | 0 | 113.8 | L242 R267 D268 | L242-P264 HydrophobicContact CD2-CG 3.92Å; P264-R267 WeakPolarHBondContact O-CB 3.36Å; P264-R267 PolarHBondContact O-N 3.29Å; P264-D268 PolarHBondContact O-N 2.79Å |
| 265 | A | 94.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 52% | 0.521 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y263 R267 D268 E269 | Y263-A265 PolarHBondContact O-N 3.04Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.31Å; A265-D268 PolarHBondContact O-N 3.45Å; A265-D268 VanDerWaalsContact O-N 3.15Å; A265-E269 PolarHBondContact O-N 3.11Å |
| 266 | D | 94.9 | Very high | 91.4 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 179.2 | -61.4 | -26.1 | 0 | 0 | 0 | 111.5 | M186 F261 Y263 D268 E269 I270 | M186-D266 HydrophobicContact CE-CB 4.18Å; F261-D266 HydrophobicContact CD1-CB 3.8Å; F261-D266 HydrophobicContact CE1-CB 4.42Å; Y263-D266 WeakPolarHBondContact CD2-OD2 3.08Å; Y263-D266 PolarHBondContact O-N 3.27Å; D266-D268 VanDerWaalsContact C-N 3.34Å; D266-D268 PolarHBondContact O-N 2.9Å; D266-E269 PolarHBondContact O-N 3.11Å; D266-I270 WeakPolarHBondContact O-CG1 3.24Å; D266-I270 PolarHBondContact O-N 3.42Å |
| 267 | R | 95.1 | Very high | 90.7 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 174.5 | 178.2 | -145.4 | 59.1 | -173.4 | -10.9 | 111.1 | P241 G243 L244 F261 Y263 P264 A265 Y271 | P241-R267 PolarHBondContact O-NH1 3.18Å; G243-R267 WeakPolarHBondContact O-CD 3.28Å; L244-R267 HydrophobicContact CB-CG 4.15Å; F261-R267 HydrophobicContact CB-CB 4.02Å; F261-R267 HydrophobicContact CD1-CB 4.12Å; F261-R267 HydrophobicContact CD2-CB 3.58Å; F261-R267 HydrophobicContact CD2-CG 3.81Å; F261-R267 HydrophobicContact CE2-CB 4.07Å; F261-R267 HydrophobicContact CE2-CG 4.06Å; F261-R267 HydrophobicContact CG-CB 3.62Å; F261-R267 HydrophobicContact CG-CG 4.37Å; Y263-R267 PolarHBondContact O-N 3.34Å; P264-R267 WeakPolarHBondContact O-CB 3.36Å; P264-R267 PolarHBondContact O-N 3.29Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.31Å; R267-Y271 VanDerWaalsContact O-CB 3.28Å; R267-Y271 WeakPolarHBondContact O-CB 3.42Å; R267-Y271 PolarHBondContact O-N 2.97Å |
| 268 | D | 93.2 | Very high | 89.6 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.4 | -36.8 | -177.5 | -75.5 | -31.3 | 0 | 0 | 0 | 112.7 | K234 P264 A265 D266 Y272 | K234-D268 WeakPolarHBondContact CE-OD1 3.43Å; K234-D268 IonicContact NZ-OD1 3.62Å; K234-D268 PolarHBondContact NZ-OD1 2.94Å; P264-D268 PolarHBondContact O-N 2.79Å; A265-D268 PolarHBondContact O-N 3.45Å; A265-D268 VanDerWaalsContact O-N 3.15Å; D266-D268 VanDerWaalsContact C-N 3.34Å; D266-D268 PolarHBondContact O-N 2.9Å; D268-Y272 WeakPolarHBondContact O-CB 3.41Å; D268-Y272 PolarHBondContact O-N 3.2Å |
| 269 | E | 92.6 | Very high | 87.5 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 50% | 0.495 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 173.8 | -71.3 | -156.2 | 160.7 | 0 | 0 | 112 | M186 A265 D266 Y271 Y272 Y273 | M186-E269 HydrophobicContact CE-CB 3.67Å; M186-E269 HydrophobicContact CE-CG 4.48Å; M186-E269 WeakPolarHBondContact CE-OE2 3.26Å; M186-E269 HydrophobicContact SD-CB 3.41Å; M186-E269 WeakPolarHBondContact SD-CB 3.31Å; A265-E269 PolarHBondContact O-N 3.11Å; D266-E269 PolarHBondContact O-N 3.11Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.45Å; E269-Y272 WeakPolarHBondContact O-CB 3.49Å; E269-Y272 PolarHBondContact O-N 3.47Å; E269-Y272 VanDerWaalsContact O-N 3.1Å; E269-Y273 WeakPolarHBondContact O-CD2 3.46Å; E269-Y273 PolarHBondContact O-N 2.98Å |
| 270 | I | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.4 | -68.7 | -67.1 | 0 | 0 | 0 | 110.8 | M186 V203 V205 L244 F261 D266 Y272 Y273 I274 | M186-I270 HydrophobicContact CB-CD1 3.94Å; M186-I270 HydrophobicContact CE-CD1 4.37Å; M186-I270 HydrophobicContact CE-CG1 4.14Å; M186-I270 HydrophobicContact CG-CD1 3.8Å; M186-I270 HydrophobicContact SD-CD1 3.42Å; M186-I270 WeakPolarHBondContact SD-CD1 3.34Å; M186-I270 HydrophobicContact SD-CG1 3.59Å; M186-I270 VanDerWaalsContact SD-CG1 3.59Å; V203-I270 HydrophobicContact CG1-CD1 4.15Å; V203-I270 HydrophobicContact CG1-CG1 4.31Å; V205-I270 HydrophobicContact CB-CD1 4.31Å; V205-I270 HydrophobicContact CG2-CD1 3.69Å; V205-I270 HydrophobicContact CG2-CG2 4.06Å; L244-I270 HydrophobicContact CD2-CB 4.37Å; L244-I270 HydrophobicContact CD2-CG2 3.66Å; F261-I270 HydrophobicContact CE1-CB 4.17Å; F261-I270 HydrophobicContact CE1-CG1 3.77Å; F261-I270 HydrophobicContact CZ-CB 3.99Å; F261-I270 HydrophobicContact CZ-CG1 4.03Å; F261-I270 HydrophobicContact CZ-CG2 4.06Å; D266-I270 WeakPolarHBondContact O-CG1 3.24Å; D266-I270 PolarHBondContact O-N 3.42Å; I270-Y272 VanDerWaalsContact C-N 3.32Å; I270-Y272 PolarHBondContact O-N 3.48Å; I270-Y273 PolarHBondContact O-N 2.78Å; I270-I274 HydrophobicContact CG2-CD1 3.76Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 WeakPolarHBondContact O-CG1 3.38Å; I270-I274 PolarHBondContact O-N 3.35Å |
| 271 | Y | 91.8 | Very high | 82.8 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 173.8 | 175.2 | -83.8 | 0 | 0 | 0 | 111.2 | I232 K234 L244 R267 E269 Y273 I274 A275 | I232-Y271 HydrophobicContact CB-CE2 4.36Å; I232-Y271 HydrophobicContact CD1-CD2 3.81Å; I232-Y271 HydrophobicContact CD1-CE2 3.52Å; I232-Y271 HydrophobicContact CD1-CG 4.43Å; I232-Y271 HydrophobicContact CG1-CD2 4.25Å; I232-Y271 HydrophobicContact CG1-CE2 3.69Å; K234-Y271 HydrophobicContact CD-CD2 4.29Å; K234-Y271 HydrophobicContact CD-CE2 4.5Å; K234-Y271 HydrophobicContact CD-CG 4.46Å; K234-Y271 VanDerWaalsContact CE-CD1 3.41Å; K234-Y271 HydrophobicContact CG-CD2 3.73Å; K234-Y271 HydrophobicContact CG-CE2 3.98Å; K234-Y271 HydrophobicContact CG-CG 4.32Å; L244-Y271 HydrophobicContact CD1-CD2 3.71Å; L244-Y271 HydrophobicContact CD1-CG 4.46Å; R267-Y271 VanDerWaalsContact O-CB 3.28Å; R267-Y271 WeakPolarHBondContact O-CB 3.42Å; R267-Y271 PolarHBondContact O-N 2.97Å; E269-Y271 VanDerWaalsContact C-N 3.3Å; E269-Y271 PolarHBondContact O-N 3.45Å; Y271-Y273 PolarHBondContact O-N 2.97Å; Y271-I274 PolarHBondContact O-N 3.3Å; Y271-A275 HydrophobicContact CD1-CB 4.37Å; Y271-A275 HydrophobicContact CE1-CB 4.07Å; Y271-A275 WeakPolarHBondContact O-CB 3.24Å; Y271-A275 PolarHBondContact O-N 3.29Å |
| 272 | Y | 89.5 | Confident | 80.5 | Confident | 148 Ų | 148 | 71.3 Ų | 71.3 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.9 | -44.2 | -178.7 | 176.1 | -94.3 | 0 | 0 | 0 | 112 | D268 E269 I270 A275 T276 | D268-Y272 WeakPolarHBondContact O-CB 3.41Å; D268-Y272 PolarHBondContact O-N 3.2Å; E269-Y272 WeakPolarHBondContact O-CB 3.49Å; E269-Y272 PolarHBondContact O-N 3.47Å; E269-Y272 VanDerWaalsContact O-N 3.1Å; I270-Y272 VanDerWaalsContact C-N 3.32Å; I270-Y272 PolarHBondContact O-N 3.48Å; Y272-A275 PolarHBondContact O-N 2.69Å; Y272-T276 HydrophobicContact CE1-CG2 4.36Å; Y272-T276 PolarHBondContact O-N 3.44Å; Y272-T276 PolarHBondContact O-OG1 3.34Å |
| 273 | Y | 88.4 | Confident | 78.5 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 176.6 | -75.7 | -66.4 | 0 | 0 | 0 | 111.7 | H185 M186 E269 I270 Y271 A275 T276 F277 | H185-Y273 HydrophobicContact CB-CD1 3.94Å; H185-Y273 HydrophobicContact CB-CE1 3.77Å; H185-Y273 HydrophobicContact CB-CE2 4.47Å; H185-Y273 HydrophobicContact CB-CG 4.37Å; M186-Y273 HydrophobicContact CB-CD2 4.05Å; M186-Y273 HydrophobicContact CB-CE2 3.89Å; M186-Y273 HydrophobicContact SD-CD2 4.29Å; M186-Y273 HydrophobicContact SD-CE2 4.24Å; E269-Y273 WeakPolarHBondContact O-CD2 3.46Å; E269-Y273 PolarHBondContact O-N 2.98Å; I270-Y273 PolarHBondContact O-N 2.78Å; Y271-Y273 PolarHBondContact O-N 2.97Å; Y273-A275 VanDerWaalsContact C-N 3.28Å; Y273-A275 PolarHBondContact O-N 3.43Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.39Å; Y273-T276 PolarHBondContact O-N 2.89Å; Y273-T276 PolarHBondContact O-OG1 3.43Å; Y273-F277 WeakPolarHBondContact O-CD2 3.3Å |
| 274 | I | 88.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 178.6 | -59.7 | 165.2 | 0 | 0 | 0 | 110.5 | V205 L210 L226 V229 I232 L244 V246 I270 Y271 T276 F277 | V205-I274 HydrophobicContact CG2-CG1 4.34Å; L210-I274 HydrophobicContact CD1-CD1 4.27Å; L210-I274 HydrophobicContact CD2-CD1 4.04Å; L226-I274 HydrophobicContact CD2-CG1 4.12Å; L226-I274 HydrophobicContact CD2-CG2 4.26Å; V229-I274 HydrophobicContact CG1-CG2 4.15Å; V229-I274 HydrophobicContact CG2-CG2 4.49Å; I232-I274 HydrophobicContact CD1-CB 4.49Å; I232-I274 HydrophobicContact CD1-CG2 4.29Å; I232-I274 HydrophobicContact CG2-CG2 3.75Å; L244-I274 HydrophobicContact CD2-CD1 4.2Å; V246-I274 HydrophobicContact CG2-CD1 4.28Å; I270-I274 HydrophobicContact CG2-CD1 3.76Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 WeakPolarHBondContact O-CG1 3.38Å; I270-I274 PolarHBondContact O-N 3.35Å; Y271-I274 PolarHBondContact O-N 3.3Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.21Å; I274-F277 PolarHBondContact O-N 3.33Å |
| 275 | A | 84.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I232 Y271 Y272 Y273 L278 | I232-A275 HydrophobicContact CD1-CB 3.84Å; Y271-A275 HydrophobicContact CD1-CB 4.37Å; Y271-A275 HydrophobicContact CE1-CB 4.07Å; Y271-A275 WeakPolarHBondContact O-CB 3.24Å; Y271-A275 PolarHBondContact O-N 3.29Å; Y272-A275 PolarHBondContact O-N 2.69Å; Y273-A275 VanDerWaalsContact C-N 3.28Å; Y273-A275 PolarHBondContact O-N 3.43Å; A275-L278 PolarHBondContact O-N 3.48Å |
| 276 | T | 80.1 | Confident | 74.2 | Confident | 79 Ų | 79 | 75.9 Ų | 75.9 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.9 | -26.1 | -179 | 17.5 | 0 | 0 | 0 | 0 | 113.4 | Y272 Y273 I274 | Y272-T276 HydrophobicContact CE1-CG2 4.36Å; Y272-T276 PolarHBondContact O-N 3.44Å; Y272-T276 PolarHBondContact O-OG1 3.34Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.39Å; Y273-T276 PolarHBondContact O-N 2.89Å; Y273-T276 PolarHBondContact O-OG1 3.43Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.21Å |
| 277 | F | 70.3 | Confident | 73.5 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -88.3 | -6 | 178.1 | -72.6 | -77.7 | 0 | 0 | 0 | 113.9 | H185 N207 L226 Y273 I274 E279 | H185-F277 AromaticContact NE2-CZ 3.8Å; N207-F277 HydrophobicContact CB-CE1 4.43Å; N207-F277 HydrophobicContact CB-CZ 4.15Å; N207-F277 WeakPolarHBondContact O-CE1 3.41Å; L226-F277 HydrophobicContact CB-CB 4.15Å; L226-F277 HydrophobicContact CD1-CB 4.16Å; L226-F277 HydrophobicContact CD1-CD2 3.68Å; L226-F277 HydrophobicContact CD1-CE2 4.26Å; L226-F277 HydrophobicContact CD1-CG 3.92Å; Y273-F277 WeakPolarHBondContact O-CD2 3.3Å; I274-F277 PolarHBondContact O-N 3.33Å; F277-E279 PolarHBondContact O-N 2.97Å |
| 278 | L | 68.4 | Low | 72.6 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | trans | -77.7 | 85 | 170.4 | -77.5 | 158.8 | 0 | 0 | 0 | 109.1 | V229 I232 A275 N280 H281 | V229-L278 HydrophobicContact CB-CD2 4.27Å; V229-L278 HydrophobicContact CG1-CD1 4.31Å; V229-L278 HydrophobicContact CG1-CD2 4.24Å; V229-L278 WeakPolarHBondContact O-CD2 3.31Å; I232-L278 HydrophobicContact CD1-CD1 4.05Å; I232-L278 HydrophobicContact CG1-CD1 4.31Å; A275-L278 PolarHBondContact O-N 3.48Å; L278-N280 PolarHBondContact O-N 3.49Å; L278-H281 HydrophobicContact CB-CB 4.23Å; L278-H281 PolarHBondContact O-N 2.86Å; L278-H281 VanDerWaalsContact O-N 3.13Å | ||
| 279 | E | 50.3 | Low | 71.9 | Confident | 186 Ų | 186 | 77.3 Ų | 77.3 | 87% | 0.869 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -7 | 176.8 | -85.8 | -175.2 | 165.9 | 0 | 0 | 114.5 | F277 | F277-E279 PolarHBondContact O-N 2.97Š|
| 280 | N | 45.7 | Very low | 71.4 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 79% | 0.786 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.4 | 56.5 | 174 | -67.4 | -65 | 0 | 0 | 0 | 109.6 | L278 I282 | L278-N280 PolarHBondContact O-N 3.49Å; N280-I282 PolarHBondContact O-N 3.18Å |
| 281 | H | 45.9 | Very low | 71 | Confident | 69 Ų | 69 | 75 Ų | 75 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | trans | -53.3 | 106.8 | 173.6 | -162.5 | -55.6 | 0 | 0 | 0 | 108.2 | L278 K283 | L278-H281 HydrophobicContact CB-CB 4.23Å; L278-H281 PolarHBondContact O-N 2.86Å; L278-H281 VanDerWaalsContact O-N 3.13Å; H281-K283 PolarHBondContact O-N 3.27Å | ||
| 282 | I | 47.4 | Very low | 70.3 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | trans | -54.4 | 109 | 166.5 | -63.8 | 168 | 0 | 0 | 0 | 103.2 | N280 E284 | N280-I282 PolarHBondContact O-N 3.18Å; I282-E284 PolarHBondContact O-N 3.38Å | ||
| 283 | K | 49.8 | Very low | 69.6 | Low | 183 Ų | 183 | 72.2 Ų | 72.2 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | trans | -47.7 | 122.8 | 176.6 | -77.2 | -179.2 | 177.8 | 176.6 | 0 | 105.8 | H281 H285 | H281-K283 PolarHBondContact O-N 3.27Å; K283-H285 PolarHBondContact O-N 2.85Å | ||
| 284 | E | 52.4 | Low | 69.5 | Low | 99 Ų | 99 | 69 Ų | 69 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | trans | -47.8 | 111.3 | 178.2 | -77 | -176.1 | 146.7 | 0 | 0 | 107.5 | I282 T286 | I282-E284 PolarHBondContact O-N 3.38Å; E284-T286 PolarHBondContact O-N 3.28Å; E284-T286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | H | 61 | Low | 69.1 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 32% | 0.324 | 35% | 0.353 | S | S | . | . | trans | -64 | 117.7 | 177.1 | -75.4 | -73.3 | 0 | 0 | 0 | 106.4 | K283 S289 Y290 | K283-H285 PolarHBondContact O-N 2.85Å; H285-S289 PolarHBondContact ND1-OG 3.48Å; H285-Y290 HydrophobicContact CB-CD1 4.45Å; H285-Y290 HydrophobicContact CB-CD2 3.86Å; H285-Y290 HydrophobicContact CB-CE1 4.03Å; H285-Y290 HydrophobicContact CB-CE2 3.37Å; H285-Y290 HydrophobicContact CB-CG 4.39Å; H285-Y290 VanDerWaalsContact CB-CZ 3.47Å; H285-Y290 WeakPolarHBondContact O-CE2 3.41Å | ||
| 286 | T | 76 | Confident | 68.4 | Low | 77 Ų | 77 | 72.8 Ų | 72.8 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | trans | -64.5 | 162.4 | 178.4 | 72.9 | 0 | 0 | 0 | 0 | 109.8 | E284 E288 S289 Y290 | E284-T286 PolarHBondContact O-N 3.28Å; E284-T286 VanDerWaalsContact O-N 3.09Å; T286-E288 WeakPolarHBondContact CB-OE2 3.46Å; T286-E288 PolarHBondContact O-N 2.86Å; T286-E288 VanDerWaalsContact O-N 3.17Å; T286-E288 PolarHBondContact OG1-OE2 2.88Å; T286-S289 WeakPolarHBondContact O-CB 3.48Å; T286-S289 PolarHBondContact O-N 3.32Å; T286-S289 PolarHBondContact OG1-N 3.35Å; T286-Y290 PolarHBondContact O-N 3.45Å | ||
| 287 | A | 79.3 | Confident | 68.3 | Low | 11 Ų | 11 | 71.1 Ų | 71.1 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.9 | -35.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M291 L311 F557 | A287-M291 VanDerWaalsContact O-CB 3.24Å; A287-M291 WeakPolarHBondContact O-CB 3.46Å; A287-M291 PolarHBondContact O-N 2.86Å; A287-L311 VanDerWaalsContact CA-CD1 3.49Å; A287-L311 HydrophobicContact CB-CD1 3.84Å; A287-F557 HydrophobicContact CB-CE1 3.62Å; A287-F557 HydrophobicContact CB-CZ 3.71Å |
| 288 | E | 77.4 | Confident | 68.6 | Low | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 176.8 | -53.9 | 77.3 | -166.3 | 0 | 0 | 112.4 | T286 M291 L292 | T286-E288 WeakPolarHBondContact CB-OE2 3.46Å; T286-E288 PolarHBondContact O-N 2.86Å; T286-E288 VanDerWaalsContact O-N 3.17Å; T286-E288 PolarHBondContact OG1-OE2 2.88Å; E288-M291 HydrophobicContact CB-CE 4.41Å; E288-M291 PolarHBondContact O-N 3.14Å; E288-L292 WeakPolarHBondContact O-CB 3.2Å; E288-L292 PolarHBondContact O-N 3.29Å |
| 289 | S | 78.6 | Confident | 69.4 | Low | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 177.1 | -173 | 0 | 0 | 0 | 0 | 111.4 | H285 T286 L292 Q293 | H285-S289 PolarHBondContact ND1-OG 3.48Å; T286-S289 WeakPolarHBondContact O-CB 3.48Å; T286-S289 PolarHBondContact O-N 3.32Å; T286-S289 PolarHBondContact OG1-N 3.35Å; S289-L292 PolarHBondContact O-N 3.23Å; S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 3.01Å; S289-Q293 VanDerWaalsContact O-N 3.14Å |
| 290 | Y | 81.1 | Confident | 71.4 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.8 | -72.3 | -61.2 | 0 | 0 | 0 | 111.9 | H285 T286 L292 Q293 W294 L299 Y304 H307 L311 | H285-Y290 HydrophobicContact CB-CD1 4.45Å; H285-Y290 HydrophobicContact CB-CD2 3.86Å; H285-Y290 HydrophobicContact CB-CE1 4.03Å; H285-Y290 HydrophobicContact CB-CE2 3.37Å; H285-Y290 HydrophobicContact CB-CG 4.39Å; H285-Y290 VanDerWaalsContact CB-CZ 3.47Å; H285-Y290 WeakPolarHBondContact O-CE2 3.41Å; T286-Y290 PolarHBondContact O-N 3.45Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 3.28Å; Y290-Q293 PolarHBondContact O-N 3.15Å; Y290-W294 WeakPolarHBondContact O-CB 3.31Å; Y290-W294 PolarHBondContact O-N 2.69Å; Y290-L299 HydrophobicContact CD1-CD1 3.75Å; Y290-Y304 VanDerWaalsContact C-CE2 3.48Å; Y290-H307 HydrophobicContact CD1-CB 4.09Å; Y290-H307 AromaticContact CD1-CD2 3.72Å; Y290-H307 AromaticContact CD1-CG 3.73Å; Y290-H307 HydrophobicContact CD2-CB 3.96Å; Y290-H307 HydrophobicContact CE1-CB 4.28Å; Y290-H307 AromaticContact CE1-CD2 3.7Å; Y290-H307 AromaticContact CE1-CE1 3.55Å; Y290-H307 AromaticContact CE1-CG 3.59Å; Y290-H307 AromaticContact CE1-ND1 3.49Å; Y290-H307 WeakPolarHBondContact CE1-ND1 3.28Å; Y290-H307 AromaticContact CE1-NE2 3.7Å; Y290-H307 HydrophobicContact CE2-CB 4.14Å; Y290-H307 HydrophobicContact CG-CB 3.92Å; Y290-H307 AromaticContact CZ-CE1 3.81Å; Y290-H307 AromaticContact CZ-CG 3.81Å; Y290-H307 AromaticContact CZ-ND1 3.42Å; Y290-L311 HydrophobicContact CD2-CD1 3.87Å; Y290-L311 HydrophobicContact CE2-CD1 4.29Å |
| 291 | M | 84.7 | Confident | 73.8 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.3 | -50.1 | 174.7 | 179.3 | -168.5 | 73.8 | 0 | 0 | 110.9 | A287 E288 Q293 W294 Q295 Y304 F557 P562 | A287-M291 VanDerWaalsContact O-CB 3.24Å; A287-M291 WeakPolarHBondContact O-CB 3.46Å; A287-M291 PolarHBondContact O-N 2.86Å; E288-M291 HydrophobicContact CB-CE 4.41Å; E288-M291 PolarHBondContact O-N 3.14Å; M291-Q293 VanDerWaalsContact C-N 3.35Å; M291-Q293 PolarHBondContact O-N 2.86Å; M291-W294 PolarHBondContact O-N 3.38Å; M291-Q295 WeakPolarHBondContact O-CB 3.49Å; M291-Q295 WeakPolarHBondContact O-CG 3.47Å; M291-Q295 PolarHBondContact O-N 2.96Å; M291-Y304 VanDerWaalsContact CA-OH 3.3Å; M291-Y304 WeakPolarHBondContact CA-OH 3.48Å; M291-Y304 HydrophobicContact CB-CE2 4.38Å; M291-Y304 VanDerWaalsContact CB-OH 3.28Å; M291-Y304 WeakPolarHBondContact CB-OH 3.4Å; M291-F557 HydrophobicContact SD-CE1 4.43Å; M291-P562 HydrophobicContact CE-CG 4.28Å; M291-P562 VanDerWaalsContact SD-CD 3.57Å; M291-P562 HydrophobicContact SD-CG 3.68Å |
| 292 | L | 76.1 | Confident | 76.1 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.366 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | -180 | -174.4 | 62 | 0 | 0 | 0 | 112.1 | E288 S289 Y290 R296 | E288-L292 WeakPolarHBondContact O-CB 3.2Å; E288-L292 PolarHBondContact O-N 3.29Å; S289-L292 PolarHBondContact O-N 3.23Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-L292 PolarHBondContact O-N 3.28Å; L292-R296 VanDerWaalsContact O-CB 3.31Å; L292-R296 WeakPolarHBondContact O-CB 3.35Å; L292-R296 WeakPolarHBondContact O-CD 3.36Å; L292-R296 WeakPolarHBondContact O-CG 3.35Å; L292-R296 PolarHBondContact O-N 3.22Å |
| 293 | Q | 76.4 | Confident | 78.3 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.4 | -71.1 | 178.6 | 47.5 | 0 | 0 | 112.3 | S289 Y290 M291 R296 G297 H298 L299 | S289-Q293 WeakPolarHBondContact O-CG 3.28Å; S289-Q293 PolarHBondContact O-N 3.01Å; S289-Q293 VanDerWaalsContact O-N 3.14Å; Y290-Q293 PolarHBondContact O-N 3.15Å; M291-Q293 VanDerWaalsContact C-N 3.35Å; M291-Q293 PolarHBondContact O-N 2.86Å; Q293-R296 PolarHBondContact O-N 2.9Å; Q293-G297 PolarHBondContact O-N 3.22Å; Q293-H298 HydrophobicContact CB-CB 4.27Å; Q293-H298 WeakPolarHBondContact O-CB 3.37Å; Q293-H298 PolarHBondContact O-N 2.68Å; Q293-L299 HydrophobicContact CB-CD1 3.69Å; Q293-L299 HydrophobicContact CB-CG 3.96Å; Q293-L299 PolarHBondContact O-N 3Å |
| 294 | W | 86.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 175.6 | 169.6 | 69.6 | 0 | 0 | 0 | 112.5 | Y290 M291 R296 G297 L299 N301 Y304 L495 H496 I499 H561 P562 R564 | Y290-W294 WeakPolarHBondContact O-CB 3.31Å; Y290-W294 PolarHBondContact O-N 2.69Å; M291-W294 PolarHBondContact O-N 3.38Å; W294-R296 PolarHBondContact O-N 3.17Å; W294-G297 PolarHBondContact O-N 3.07Å; W294-L299 HydrophobicContact CB-CB 4.28Å; W294-N301 PolarHBondContact NE1-OD1 2.85Å; W294-Y304 HydrophobicContact CB-CD1 3.8Å; W294-Y304 HydrophobicContact CB-CD2 3.6Å; W294-Y304 HydrophobicContact CB-CE1 4.21Å; W294-Y304 HydrophobicContact CB-CE2 4.09Å; W294-Y304 HydrophobicContact CB-CG 3.46Å; W294-Y304 VanDerWaalsContact CB-CG 3.46Å; W294-Y304 VanDerWaalsContact CD1-CB 3.46Å; W294-Y304 AromaticContact CD1-CD1 3.69Å; W294-Y304 AromaticContact CD1-CG 3.71Å; W294-Y304 AromaticContact CD2-CD1 3.23Å; W294-Y304 HydrophobicContact CD2-CD1 3.23Å; W294-Y304 AromaticContact CD2-CE1 3.46Å; W294-Y304 HydrophobicContact CD2-CE1 3.46Å; W294-Y304 VanDerWaalsContact CD2-CE1 3.46Å; W294-Y304 AromaticContact CD2-CG 3.88Å; W294-Y304 HydrophobicContact CD2-CG 3.88Å; W294-Y304 AromaticContact CE2-CD1 3.61Å; W294-Y304 AromaticContact CE3-CD1 3.69Å; W294-Y304 HydrophobicContact CE3-CD1 3.69Å; W294-Y304 AromaticContact CE3-CE1 3.35Å; W294-Y304 HydrophobicContact CE3-CE1 3.35Å; W294-Y304 AromaticContact CG-CD1 3.28Å; W294-Y304 HydrophobicContact CG-CD1 3.28Å; W294-Y304 HydrophobicContact CG-CD2 4.04Å; W294-Y304 AromaticContact CG-CE1 3.86Å; W294-Y304 HydrophobicContact CG-CE1 3.86Å; W294-Y304 AromaticContact CG-CG 3.37Å; W294-Y304 HydrophobicContact CG-CG 3.37Å; W294-Y304 HydrophobicContact CH2-CE1 4.46Å; W294-Y304 HydrophobicContact CZ2-CD1 4.32Å; W294-Y304 HydrophobicContact CZ3-CD1 4.4Å; W294-Y304 AromaticContact CZ3-CE1 3.9Å; W294-Y304 HydrophobicContact CZ3-CE1 3.9Å; W294-Y304 AromaticContact NE1-CD1 3.86Å; W294-L495 HydrophobicContact CZ2-CB 4.23Å; W294-L495 HydrophobicContact CZ2-CD2 4.1Å; W294-L495 HydrophobicContact CZ2-CG 4.47Å; W294-H496 HydrophobicContact CH2-CB 4.21Å; W294-I499 HydrophobicContact CH2-CD1 4.45Å; W294-H561 AromaticContact CE3-CE1 3.97Å; W294-H561 AromaticContact CZ3-CE1 3.45Å; W294-H561 VanDerWaalsContact CZ3-CE1 3.45Å; W294-H561 WeakPolarHBondContact CZ3-CE1 3.4Å; W294-H561 AromaticContact CZ3-ND1 3.84Å; W294-P562 WeakPolarHBondContact CZ3-O 3.49Å; W294-R564 HydrophobicContact CD2-CG 4.13Å; W294-R564 HydrophobicContact CH2-CB 3.81Å; W294-R564 HydrophobicContact CH2-CG 4.42Å; W294-R564 HydrophobicContact CZ2-CB 3.68Å; W294-R564 HydrophobicContact CZ2-CG 3.98Å; W294-R564 HydrophobicContact CZ3-CB 4.26Å; W294-R564 WeakPolarHBondContact O-CG 3.42Å; W294-R564 PolarHBondContact O-NE 2.93Å; W294-R564 VanDerWaalsContact O-NE 3.14Å |
| 295 | Q | 79.5 | Confident | 82.4 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.9 | -36.6 | 174.5 | -76.3 | -168.6 | -68.3 | 0 | 0 | 111.8 | M291 G297 Q563 I565 | M291-Q295 WeakPolarHBondContact O-CB 3.49Å; M291-Q295 WeakPolarHBondContact O-CG 3.47Å; M291-Q295 PolarHBondContact O-N 2.96Å; Q295-G297 VanDerWaalsContact C-N 3.27Å; Q295-G297 PolarHBondContact O-N 3.25Å; Q295-Q563 PolarHBondContact NE2-O 2.72Å; Q295-I565 HydrophobicContact CB-CD1 4.28Å; Q295-I565 HydrophobicContact CB-CG1 4.41Å; Q295-I565 VanDerWaalsContact O-CB 3.24Å; Q295-I565 WeakPolarHBondContact O-CB 3.14Å; Q295-I565 PolarHBondContact O-N 3.18Å; Q295-I565 VanDerWaalsContact O-N 3.16Å |
| 296 | R | 70.2 | Confident | 83.9 | Confident | 72 Ų | 72 | 40 Ų | 40 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.8 | 177.1 | -74.4 | 173.1 | 179.8 | -165.2 | 0.5 | 114.2 | L292 Q293 W294 H298 R812 | L292-R296 VanDerWaalsContact O-CB 3.31Å; L292-R296 WeakPolarHBondContact O-CB 3.35Å; L292-R296 WeakPolarHBondContact O-CD 3.36Å; L292-R296 WeakPolarHBondContact O-CG 3.35Å; L292-R296 PolarHBondContact O-N 3.22Å; Q293-R296 PolarHBondContact O-N 2.9Å; W294-R296 PolarHBondContact O-N 3.17Å; R296-H298 VanDerWaalsContact C-N 3.34Å; R296-H298 WeakPolarHBondContact CB-CD2 3.19Å; R296-R812 VanDerWaalsContact CG-CZ 3.47Å; R296-R812 VanDerWaalsContact CG-NH2 3.28Å |
| 297 | G | 77.3 | Confident | 84.5 | Confident | 45 Ų | 45 | 38.4 Ų | 38.4 | 46% | 0.464 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 8.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q293 W294 Q295 L299 | Q293-G297 PolarHBondContact O-N 3.22Å; W294-G297 PolarHBondContact O-N 3.07Å; Q295-G297 VanDerWaalsContact C-N 3.27Å; Q295-G297 PolarHBondContact O-N 3.25Å; G297-L299 VanDerWaalsContact C-N 3.32Å |
| 298 | H | 77.8 | Confident | 85.2 | Confident | 103 Ų | 103 | 37.9 Ų | 37.9 | 48% | 0.477 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -72.2 | -28 | 174.9 | -59.5 | -60 | 0 | 0 | 0 | 112.5 | Q293 R296 | Q293-H298 HydrophobicContact CB-CB 4.27Å; Q293-H298 WeakPolarHBondContact O-CB 3.37Å; Q293-H298 PolarHBondContact O-N 2.68Å; R296-H298 VanDerWaalsContact C-N 3.34Å; R296-H298 WeakPolarHBondContact CB-CD2 3.19Å |
| 299 | L | 83.9 | Confident | 85.9 | Confident | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -111.2 | 139.1 | 173.1 | -61.4 | 170 | 0 | 0 | 0 | 109.7 | Y290 Q293 W294 G297 E303 R564 | Y290-L299 HydrophobicContact CD1-CD1 3.75Å; Q293-L299 HydrophobicContact CB-CD1 3.69Å; Q293-L299 HydrophobicContact CB-CG 3.96Å; Q293-L299 PolarHBondContact O-N 3Å; W294-L299 HydrophobicContact CB-CB 4.28Å; G297-L299 VanDerWaalsContact C-N 3.32Å; L299-E303 HydrophobicContact CB-CB 4.43Å; L299-E303 HydrophobicContact CD2-CB 4.35Å; L299-R564 PolarHBondContact O-NH2 3.48Å |
| 300 | S | 93.1 | Very high | 86.4 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | trans | -67.8 | 162.8 | 168.4 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | Y302 E303 Y304 R483 E487 | S300-Y302 PolarHBondContact O-N 3.24Å; S300-E303 VanDerWaalsContact CB-OE2 3.29Å; S300-E303 WeakPolarHBondContact CB-OE2 3.24Å; S300-E303 PolarHBondContact N-OE2 2.88Å; S300-E303 PolarHBondContact O-N 3.34Å; S300-E303 WeakPolarHBondContact OG-CB 3.27Å; S300-E303 VanDerWaalsContact OG-CG 3.22Å; S300-E303 WeakPolarHBondContact OG-CG 3.24Å; S300-E303 PolarHBondContact OG-N 3.4Å; S300-E303 PolarHBondContact OG-OE2 3.37Å; S300-Y304 WeakPolarHBondContact O-CB 3.2Å; S300-Y304 PolarHBondContact O-N 3.27Å; S300-R483 PolarHBondContact OG-NH2 2.99Å; S300-E487 WeakPolarHBondContact CB-OE1 3.37Å; S300-E487 WeakPolarHBondContact CB-OE2 3.26Å | ||
| 301 | N | 95.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 176.9 | -72.3 | -20.2 | 0 | 0 | 0 | 110.8 | W294 Y304 L305 L486 E487 S492 L495 R564 | W294-N301 PolarHBondContact NE1-OD1 2.85Å; N301-Y304 PolarHBondContact O-N 3.04Å; N301-L305 WeakPolarHBondContact O-CB 3.41Å; N301-L305 VanDerWaalsContact O-CG 3.29Å; N301-L305 WeakPolarHBondContact O-CG 2.92Å; N301-L305 PolarHBondContact O-N 2.79Å; N301-L486 HydrophobicContact CB-CD1 4.37Å; N301-L486 HydrophobicContact CB-CG 4.18Å; N301-L486 PolarHBondContact ND2-O 2.94Å; N301-E487 WeakPolarHBondContact CB-OE2 3.33Å; N301-E487 PolarHBondContact N-OE1 2.97Å; N301-E487 PolarHBondContact N-OE2 3Å; N301-S492 PolarHBondContact ND2-OG 3.36Å; N301-L495 HydrophobicContact CB-CD2 3.74Å; N301-R564 PolarHBondContact OD1-NH1 3.01Å |
| 302 | Y | 95.3 | Very high | 87.2 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 176.7 | 176.9 | -93.6 | 0 | 0 | 0 | 113.9 | S300 Y304 L305 L306 F325 P436 R483 L486 E487 | S300-Y302 PolarHBondContact O-N 3.24Å; Y302-Y304 VanDerWaalsContact C-N 3.28Å; Y302-Y304 PolarHBondContact O-N 3.38Å; Y302-L305 PolarHBondContact O-N 3.16Å; Y302-L306 WeakPolarHBondContact O-CB 2.89Å; Y302-L306 PolarHBondContact O-N 2.84Å; Y302-F325 HydrophobicContact CD2-CD1 4.46Å; Y302-F325 AromaticContact CD2-CE1 3.47Å; Y302-F325 HydrophobicContact CD2-CE1 3.47Å; Y302-F325 VanDerWaalsContact CD2-CE1 3.47Å; Y302-F325 AromaticContact CD2-CZ 3.91Å; Y302-F325 HydrophobicContact CD2-CZ 3.91Å; Y302-F325 AromaticContact CE2-CE1 3.98Å; Y302-F325 HydrophobicContact CE2-CE1 3.98Å; Y302-F325 HydrophobicContact CE2-CZ 4.13Å; Y302-F325 HydrophobicContact CG-CE1 4.19Å; Y302-F325 HydrophobicContact CG-CZ 4.45Å; Y302-P436 HydrophobicContact CE2-CB 4.45Å; Y302-R483 VanDerWaalsContact CB-NH1 3.31Å; Y302-L486 HydrophobicContact CD2-CD2 4.11Å; Y302-L486 HydrophobicContact CG-CD2 4.49Å; Y302-E487 WeakPolarHBondContact CB-OE1 3.37Å; Y302-E487 PolarHBondContact N-OE1 3.24Å |
| 303 | E | 91.6 | Very high | 87.9 | Confident | 85 Ų | 85 | 28.1 Ų | 28.1 | 40% | 0.397 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.9 | -73.8 | 160.3 | 151 | 0 | 0 | 110.2 | L299 S300 L306 H307 | L299-E303 HydrophobicContact CB-CB 4.43Å; L299-E303 HydrophobicContact CD2-CB 4.35Å; S300-E303 VanDerWaalsContact CB-OE2 3.29Å; S300-E303 WeakPolarHBondContact CB-OE2 3.24Å; S300-E303 PolarHBondContact N-OE2 2.88Å; S300-E303 PolarHBondContact O-N 3.34Å; S300-E303 WeakPolarHBondContact OG-CB 3.27Å; S300-E303 VanDerWaalsContact OG-CG 3.22Å; S300-E303 WeakPolarHBondContact OG-CG 3.24Å; S300-E303 PolarHBondContact OG-N 3.4Å; S300-E303 PolarHBondContact OG-OE2 3.37Å; E303-L306 WeakPolarHBondContact O-CB 3.38Å; E303-L306 PolarHBondContact O-N 2.86Å; E303-H307 PolarHBondContact O-CD2 2.95Å; E303-H307 PolarHBondContact O-N 2.63Å |
| 304 | Y | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 177.8 | -174.6 | -129 | 0 | 0 | 0 | 112.6 | Y290 M291 W294 S300 N301 Y302 L306 H307 L308 I499 H561 | Y290-Y304 VanDerWaalsContact C-CE2 3.48Å; M291-Y304 VanDerWaalsContact CA-OH 3.3Å; M291-Y304 WeakPolarHBondContact CA-OH 3.48Å; M291-Y304 HydrophobicContact CB-CE2 4.38Å; M291-Y304 VanDerWaalsContact CB-OH 3.28Å; M291-Y304 WeakPolarHBondContact CB-OH 3.4Å; W294-Y304 HydrophobicContact CB-CD1 3.8Å; W294-Y304 HydrophobicContact CB-CD2 3.6Å; W294-Y304 HydrophobicContact CB-CE1 4.21Å; W294-Y304 HydrophobicContact CB-CE2 4.09Å; W294-Y304 HydrophobicContact CB-CG 3.46Å; W294-Y304 VanDerWaalsContact CB-CG 3.46Å; W294-Y304 VanDerWaalsContact CD1-CB 3.46Å; W294-Y304 AromaticContact CD1-CD1 3.69Å; W294-Y304 AromaticContact CD1-CG 3.71Å; W294-Y304 AromaticContact CD2-CD1 3.23Å; W294-Y304 HydrophobicContact CD2-CD1 3.23Å; W294-Y304 AromaticContact CD2-CE1 3.46Å; W294-Y304 HydrophobicContact CD2-CE1 3.46Å; W294-Y304 VanDerWaalsContact CD2-CE1 3.46Å; W294-Y304 AromaticContact CD2-CG 3.88Å; W294-Y304 HydrophobicContact CD2-CG 3.88Å; W294-Y304 AromaticContact CE2-CD1 3.61Å; W294-Y304 AromaticContact CE3-CD1 3.69Å; W294-Y304 HydrophobicContact CE3-CD1 3.69Å; W294-Y304 AromaticContact CE3-CE1 3.35Å; W294-Y304 HydrophobicContact CE3-CE1 3.35Å; W294-Y304 AromaticContact CG-CD1 3.28Å; W294-Y304 HydrophobicContact CG-CD1 3.28Å; W294-Y304 HydrophobicContact CG-CD2 4.04Å; W294-Y304 AromaticContact CG-CE1 3.86Å; W294-Y304 HydrophobicContact CG-CE1 3.86Å; W294-Y304 AromaticContact CG-CG 3.37Å; W294-Y304 HydrophobicContact CG-CG 3.37Å; W294-Y304 HydrophobicContact CH2-CE1 4.46Å; W294-Y304 HydrophobicContact CZ2-CD1 4.32Å; W294-Y304 HydrophobicContact CZ3-CD1 4.4Å; W294-Y304 AromaticContact CZ3-CE1 3.9Å; W294-Y304 HydrophobicContact CZ3-CE1 3.9Å; W294-Y304 AromaticContact NE1-CD1 3.86Å; S300-Y304 WeakPolarHBondContact O-CB 3.2Å; S300-Y304 PolarHBondContact O-N 3.27Å; N301-Y304 PolarHBondContact O-N 3.04Å; Y302-Y304 VanDerWaalsContact C-N 3.28Å; Y302-Y304 PolarHBondContact O-N 3.38Å; Y304-L306 PolarHBondContact O-N 2.86Å; Y304-H307 PolarHBondContact O-N 2.93Å; Y304-H307 VanDerWaalsContact O-N 3.1Å; Y304-L308 HydrophobicContact CD1-CD1 4.16Å; Y304-L308 HydrophobicContact CD2-CG 4.35Å; Y304-L308 HydrophobicContact CE1-CD1 3.7Å; Y304-L308 HydrophobicContact CE1-CG 4.22Å; Y304-L308 HydrophobicContact CE2-CD1 4.33Å; Y304-L308 HydrophobicContact CE2-CD2 3.85Å; Y304-L308 HydrophobicContact CE2-CG 3.95Å; Y304-L308 WeakPolarHBondContact O-CG 3.46Å; Y304-L308 PolarHBondContact O-N 3.46Å; Y304-I499 HydrophobicContact CD1-CD1 4.11Å; Y304-I499 HydrophobicContact CE1-CD1 3.69Å; Y304-H561 AromaticContact CE1-CE1 3.83Å; Y304-H561 AromaticContact CE1-NE2 3.89Å; Y304-H561 AromaticContact CZ-NE2 3.77Å; Y304-H561 PolarHBondContact OH-CE1 2.81Å; Y304-H561 VanDerWaalsContact OH-CE1 3.29Å; Y304-H561 PolarHBondContact OH-NE2 3.29Å |
| 305 | L | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.4 | -36.9 | 173.7 | -74.6 | 175.9 | 0 | 0 | 0 | 112.1 | N301 Y302 L308 N309 F325 P326 L486 L495 W498 I499 | N301-L305 WeakPolarHBondContact O-CB 3.41Å; N301-L305 VanDerWaalsContact O-CG 3.29Å; N301-L305 WeakPolarHBondContact O-CG 2.92Å; N301-L305 PolarHBondContact O-N 2.79Å; Y302-L305 PolarHBondContact O-N 3.16Å; L305-L308 PolarHBondContact O-N 3.03Å; L305-N309 WeakPolarHBondContact O-CB 3.37Å; L305-N309 PolarHBondContact O-N 2.86Å; L305-N309 PolarHBondContact O-ND2 3Å; L305-F325 HydrophobicContact CB-CD1 4.36Å; L305-F325 HydrophobicContact CB-CE1 3.69Å; L305-F325 HydrophobicContact CB-CE2 3.9Å; L305-F325 HydrophobicContact CB-CZ 3.43Å; L305-F325 VanDerWaalsContact CB-CZ 3.43Å; L305-F325 HydrophobicContact CD1-CD1 3.66Å; L305-F325 HydrophobicContact CD1-CE1 3.62Å; L305-F325 HydrophobicContact CD1-CG 4.31Å; L305-F325 HydrophobicContact CD1-CZ 4.23Å; L305-F325 HydrophobicContact CG-CE1 4.33Å; L305-F325 HydrophobicContact CG-CZ 4.5Å; L305-P326 HydrophobicContact CD1-CG 4.39Å; L305-L486 HydrophobicContact CD1-CD1 4.02Å; L305-L495 HydrophobicContact CD1-CD1 4.27Å; L305-L495 HydrophobicContact CD1-CD2 4.3Å; L305-L495 HydrophobicContact CD2-CD1 4.33Å; L305-L495 HydrophobicContact CD2-CD2 4.48Å; L305-L495 HydrophobicContact CG-CD2 4.24Å; L305-W498 HydrophobicContact CD2-CE3 4.11Å; L305-W498 HydrophobicContact CD2-CZ3 3.61Å; L305-I499 HydrophobicContact CD2-CG1 4.34Å |
| 306 | L | 91.3 | Very high | 89.3 | Confident | 24 Ų | 24 | 24.5 Ų | 24.5 | 13% | 0.126 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.6 | -179.9 | 56.4 | 0 | 0 | 0 | 111.9 | L253 Y302 E303 Y304 N310 | L253-L306 HydrophobicContact CD1-CD1 4.38Å; L253-L306 HydrophobicContact CD1-CD2 4.2Å; L253-L306 HydrophobicContact CD2-CD1 3.21Å; L253-L306 HydrophobicContact CD2-CD2 4.47Å; L253-L306 HydrophobicContact CD2-CG 4.46Å; L253-L306 HydrophobicContact CG-CD1 3.59Å; L253-L306 HydrophobicContact CG-CD2 3.97Å; L253-L306 HydrophobicContact CG-CG 4.43Å; Y302-L306 WeakPolarHBondContact O-CB 2.89Å; Y302-L306 PolarHBondContact O-N 2.84Å; E303-L306 WeakPolarHBondContact O-CB 3.38Å; E303-L306 PolarHBondContact O-N 2.86Å; Y304-L306 PolarHBondContact O-N 2.86Å; L306-N310 PolarHBondContact O-N 2.9Å; L306-N310 PolarHBondContact O-ND2 2.86Å |
| 307 | H | 89.1 | Confident | 90.2 | Very high | 42 Ų | 42 | 22.4 Ų | 22.4 | 19% | 0.194 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.6 | -69.5 | -58.9 | 0 | 0 | 0 | 112.2 | Y290 E303 Y304 N310 L311 | Y290-H307 HydrophobicContact CD1-CB 4.09Å; Y290-H307 AromaticContact CD1-CD2 3.72Å; Y290-H307 AromaticContact CD1-CG 3.73Å; Y290-H307 HydrophobicContact CD2-CB 3.96Å; Y290-H307 HydrophobicContact CE1-CB 4.28Å; Y290-H307 AromaticContact CE1-CD2 3.7Å; Y290-H307 AromaticContact CE1-CE1 3.55Å; Y290-H307 AromaticContact CE1-CG 3.59Å; Y290-H307 AromaticContact CE1-ND1 3.49Å; Y290-H307 WeakPolarHBondContact CE1-ND1 3.28Å; Y290-H307 AromaticContact CE1-NE2 3.7Å; Y290-H307 HydrophobicContact CE2-CB 4.14Å; Y290-H307 HydrophobicContact CG-CB 3.92Å; Y290-H307 AromaticContact CZ-CE1 3.81Å; Y290-H307 AromaticContact CZ-CG 3.81Å; Y290-H307 AromaticContact CZ-ND1 3.42Å; E303-H307 PolarHBondContact O-CD2 2.95Å; E303-H307 PolarHBondContact O-N 2.63Å; Y304-H307 PolarHBondContact O-N 2.93Å; Y304-H307 VanDerWaalsContact O-N 3.1Å; H307-N310 WeakPolarHBondContact O-CB 2.85Å; H307-N310 PolarHBondContact O-N 3.44Å; H307-L311 WeakPolarHBondContact O-CG 3.45Å; H307-L311 PolarHBondContact O-N 3.41Å |
| 308 | L | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.3 | -67.9 | -175.1 | 0 | 0 | 0 | 112 | Y304 L305 N310 L311 A312 I499 F503 L556 F557 | Y304-L308 HydrophobicContact CD1-CD1 4.16Å; Y304-L308 HydrophobicContact CD2-CG 4.35Å; Y304-L308 HydrophobicContact CE1-CD1 3.7Å; Y304-L308 HydrophobicContact CE1-CG 4.22Å; Y304-L308 HydrophobicContact CE2-CD1 4.33Å; Y304-L308 HydrophobicContact CE2-CD2 3.85Å; Y304-L308 HydrophobicContact CE2-CG 3.95Å; Y304-L308 WeakPolarHBondContact O-CG 3.46Å; Y304-L308 PolarHBondContact O-N 3.46Å; L305-L308 PolarHBondContact O-N 3.03Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.19Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-A312 WeakPolarHBondContact O-CB 3.46Å; L308-A312 PolarHBondContact O-N 3.04Å; L308-I499 HydrophobicContact CD1-CD1 3.81Å; L308-I499 HydrophobicContact CD1-CG1 3.94Å; L308-I499 HydrophobicContact CD1-CG2 3.8Å; L308-F503 HydrophobicContact CB-CD2 4.24Å; L308-F503 HydrophobicContact CB-CE2 4.15Å; L308-F503 HydrophobicContact CB-CZ 4.4Å; L308-F503 HydrophobicContact CD1-CD2 4.16Å; L308-L556 HydrophobicContact CB-CD1 4.29Å; L308-L556 HydrophobicContact CD2-CD1 3.84Å; L308-F557 HydrophobicContact CD2-CE2 3.8Å; L308-F557 HydrophobicContact CD2-CZ 3.86Å |
| 309 | N | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 174.5 | -86.6 | -74.1 | 0 | 0 | 0 | 111 | L305 A312 R314 P323 V324 | L305-N309 WeakPolarHBondContact O-CB 3.37Å; L305-N309 PolarHBondContact O-N 2.86Å; L305-N309 PolarHBondContact O-ND2 3Å; N309-A312 PolarHBondContact O-N 2.97Å; N309-R314 HydrophobicContact CB-CB 3.99Å; N309-R314 HydrophobicContact CB-CG 4.15Å; N309-R314 WeakPolarHBondContact O-CA 3.46Å; N309-R314 WeakPolarHBondContact O-CB 3.39Å; N309-R314 WeakPolarHBondContact O-CG 3.48Å; N309-R314 PolarHBondContact O-N 3.15Å; N309-R314 WeakPolarHBondContact OD1-CG 3.38Å; N309-P323 HydrophobicContact CB-CB 4.03Å; N309-P323 VanDerWaalsContact OD1-CA 3.29Å; N309-P323 WeakPolarHBondContact OD1-CA 3.41Å; N309-V324 PolarHBondContact ND2-O 2.93Å; N309-V324 PolarHBondContact OD1-N 3.46Å |
| 310 | N | 88.8 | Confident | 91.7 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 6% | 0.059 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 174.9 | -82.6 | -65.9 | 0 | 0 | 0 | 111.8 | R235 L306 H307 L308 A312 D313 | R235-N310 PolarHBondContact NH1-O 2.93Å; R235-N310 PolarHBondContact NH2-OD1 2.77Å; L306-N310 PolarHBondContact O-N 2.9Å; L306-N310 PolarHBondContact O-ND2 2.86Å; H307-N310 WeakPolarHBondContact O-CB 2.85Å; H307-N310 PolarHBondContact O-N 3.44Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.19Å; N310-A312 PolarHBondContact O-N 2.95Å; N310-D313 PolarHBondContact O-N 2.57Å |
| 311 | L | 89.2 | Confident | 91.7 | Very high | 38 Ų | 38 | 14.4 Ų | 14.4 | 20% | 0.199 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.3 | -25.1 | 179.8 | -70.7 | 176.9 | 0 | 0 | 0 | 113.1 | A287 Y290 H307 L308 D313 L556 | A287-L311 VanDerWaalsContact CA-CD1 3.49Å; A287-L311 HydrophobicContact CB-CD1 3.84Å; Y290-L311 HydrophobicContact CD2-CD1 3.87Å; Y290-L311 HydrophobicContact CE2-CD1 4.29Å; H307-L311 WeakPolarHBondContact O-CG 3.45Å; H307-L311 PolarHBondContact O-N 3.41Å; L308-L311 PolarHBondContact O-N 2.89Å; L311-D313 PolarHBondContact O-N 3.01Å; L311-L556 HydrophobicContact CB-CD1 3.93Å; L311-L556 HydrophobicContact CB-CD2 4.04Å |
| 312 | A | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 17.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R236 L308 N309 N310 R314 F503 P553 K554 L556 | R236-A312 PolarHBondContact NH2-O 3.05Å; L308-A312 WeakPolarHBondContact O-CB 3.46Å; L308-A312 PolarHBondContact O-N 3.04Å; N309-A312 PolarHBondContact O-N 2.97Å; N310-A312 PolarHBondContact O-N 2.95Å; A312-R314 VanDerWaalsContact C-N 3.28Å; A312-R314 PolarHBondContact O-N 2.8Å; A312-F503 HydrophobicContact CB-CD1 3.53Å; A312-F503 HydrophobicContact CB-CE1 3.49Å; A312-F503 VanDerWaalsContact CB-CE1 3.49Å; A312-P553 HydrophobicContact CB-CB 3.68Å; A312-K554 HydrophobicContact CB-CB 4.39Å; A312-K554 PolarHBondContact O-N 3.12Å; A312-K554 VanDerWaalsContact O-N 3.15Å; A312-L556 HydrophobicContact CB-CD1 4.14Å; A312-L556 HydrophobicContact CB-CD2 4.35Å; A312-L556 HydrophobicContact CB-CG 4.24Å |
| 313 | D | 91.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.064 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 21.1 | -176.6 | -58.6 | -50.1 | 0 | 0 | 0 | 115.2 | R236 N310 L311 Q321 | R236-D313 IonicContact CZ-OD2 2.81Å; R236-D313 IonicContact NE-OD2 2.7Å; R236-D313 PolarHBondContact NE-OD2 3.27Å; R236-D313 IonicContact NH2-OD2 3.79Å; N310-D313 PolarHBondContact O-N 2.57Å; L311-D313 PolarHBondContact O-N 3.01Å; D313-Q321 PolarHBondContact O-OE1 3.42Å |
| 314 | R | 92.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 9 Ų | 9 | 1% | 0.011 | 5% | 0.047 | C | C | . | . | trans | -77.3 | 138.6 | 175.1 | -55.6 | -65.3 | -148.7 | -177.2 | 5.7 | 110.7 | N309 A312 Q321 P323 Q551 P553 | N309-R314 HydrophobicContact CB-CB 3.99Å; N309-R314 HydrophobicContact CB-CG 4.15Å; N309-R314 WeakPolarHBondContact O-CA 3.46Å; N309-R314 WeakPolarHBondContact O-CB 3.39Å; N309-R314 WeakPolarHBondContact O-CG 3.48Å; N309-R314 PolarHBondContact O-N 3.15Å; N309-R314 WeakPolarHBondContact OD1-CG 3.38Å; A312-R314 VanDerWaalsContact C-N 3.28Å; A312-R314 PolarHBondContact O-N 2.8Å; R314-Q321 CarbonylContact C-O 3.54Å; R314-Q321 WeakPolarHBondContact CA-O 3.42Å; R314-Q321 WeakPolarHBondContact CB-O 3.43Å; R314-Q321 VanDerWaalsContact CD-O 3.26Å; R314-Q321 WeakPolarHBondContact CD-O 3.38Å; R314-P323 HydrophobicContact CB-CB 4.49Å; R314-P323 HydrophobicContact CB-CG 4.2Å; R314-Q551 VanDerWaalsContact CZ-O 3.28Å; R314-Q551 PolarHBondContact NH1-O 3.18Å; R314-Q551 PolarHBondContact NH2-O 3.22Å; R314-P553 VanDerWaalsContact NH2-CG 3.29Å | ||
| 315 | S | 90.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | trans | -141.8 | 148.3 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | E245 N317 Q321 | E245-S315 WeakPolarHBondContact OE1-CB 3.31Å; E245-S315 PolarHBondContact OE1-OG 3.18Å; S315-N317 VanDerWaalsContact C-N 3.31Å; S315-N317 PolarHBondContact OG-N 2.88Å; S315-Q321 PolarHBondContact N-O 3.21Å | ||
| 316 | C | 88.4 | Confident | 92.2 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.014 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -73.3 | -23.4 | 171.1 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F3 C254 D318 | F3-C316 HydrophobicContact CD2-CB 3.82Å; F3-C316 WeakPolarHBondContact CE1-O 3.48Å; F3-C316 VanDerWaalsContact CE2-CA 3.43Å; F3-C316 HydrophobicContact CE2-CB 3.13Å; F3-C316 WeakPolarHBondContact CE2-SG 3.39Å; F3-C316 VanDerWaalsContact CZ-CA 3.49Å; F3-C316 HydrophobicContact CZ-CB 3.61Å; F3-C316 WeakPolarHBondContact CZ-O 3.36Å; C254-C316 HydrophobicContact CB-CB 4.45Å; C254-C316 WeakPolarHBondContact SG-CB 3.43Å; C316-D318 VanDerWaalsContact C-N 3.28Å; C316-D318 PolarHBondContact O-N 2.77Å |
| 317 | N | 88.6 | Confident | 92.5 | Very high | 29 Ų | 29 | 7.9 Ų | 7.9 | 16% | 0.155 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -80 | -13.1 | 179.6 | -62.9 | -64.1 | 0 | 0 | 0 | 112.8 | M194 P195 E245 S255 Y258 S315 | M194-N317 CarbonylContact C-O 3.53Å; P195-N317 VanDerWaalsContact N-O 3.13Å; E245-N317 PolarHBondContact OE1-ND2 2.89Å; S255-N317 PolarHBondContact OG-ND2 3.41Å; Y258-N317 HydrophobicContact CD1-CB 3.94Å; Y258-N317 HydrophobicContact CG-CB 4.43Å; S315-N317 VanDerWaalsContact C-N 3.31Å; S315-N317 PolarHBondContact OG-N 2.88Å |
| 318 | D | 90.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 5.9 Ų | 5.9 | 6% | 0.059 | 3% | 0.032 | C | C | . | . | trans | -122.3 | 101 | 177.2 | -171 | -21.8 | 0 | 0 | 0 | 110.2 | V193 H237 Y258 C316 S320 Q321 Y322 | V193-D318 HydrophobicContact CG1-CB 4.45Å; H237-D318 IonicContact CE1-OD2 3.88Å; H237-D318 IonicContact ND1-OD2 3.58Å; H237-D318 PolarHBondContact ND1-OD2 3.15Å; Y258-D318 HydrophobicContact CE1-CB 4.34Å; C316-D318 VanDerWaalsContact C-N 3.28Å; C316-D318 PolarHBondContact O-N 2.77Å; D318-S320 PolarHBondContact O-N 2.92Å; D318-S320 VanDerWaalsContact O-N 3.15Å; D318-S320 WeakPolarHBondContact OD1-CB 3.22Å; D318-S320 PolarHBondContact OD1-N 2.98Å; D318-S320 PolarHBondContact OD1-OG 2.85Å; D318-Q321 HydrophobicContact CB-CB 4.5Å; D318-Q321 CarbonylContact O-C 3.57Å; D318-Q321 WeakPolarHBondContact O-CA 3.48Å; D318-Q321 PolarHBondContact O-N 3.32Å; D318-Y322 PolarHBondContact O-N 2.92Å | ||
| 319 | L | 91.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -62.9 | -22 | -178.1 | -57.4 | -170.1 | 0 | 0 | 0 | 113.5 | F3 P195 L196 Q321 Y322 P384 V387 L388 | F3-L319 HydrophobicContact CE1-CD2 3.81Å; F3-L319 HydrophobicContact CZ-CD2 3.85Å; P195-L319 HydrophobicContact CB-CD1 4.16Å; P195-L319 HydrophobicContact CB-CD2 3.98Å; P195-L319 HydrophobicContact CB-CG 3.86Å; L196-L319 HydrophobicContact CD1-CD1 4.47Å; L196-L319 HydrophobicContact CD2-CD1 3.89Å; L196-L319 HydrophobicContact CG-CD1 3.8Å; L319-Q321 PolarHBondContact O-N 3.32Å; L319-Y322 HydrophobicContact CD2-CD2 3.69Å; L319-Y322 HydrophobicContact CD2-CE2 3.91Å; L319-P384 HydrophobicContact CB-CB 3.91Å; L319-P384 HydrophobicContact CB-CG 4.21Å; L319-V387 HydrophobicContact CD2-CG1 4.19Å; L319-L388 HydrophobicContact CD1-CD1 3.93Å; L319-L388 HydrophobicContact CD1-CD2 3.99Å; L319-L388 HydrophobicContact CD1-CG 3.89Å |
| 320 | S | 90.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 7.2 Ų | 7.2 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -73.8 | -18.1 | 176.2 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | D318 L547 Q551 | D318-S320 PolarHBondContact O-N 2.92Å; D318-S320 VanDerWaalsContact O-N 3.15Å; D318-S320 WeakPolarHBondContact OD1-CB 3.22Å; D318-S320 PolarHBondContact OD1-N 2.98Å; D318-S320 PolarHBondContact OD1-OG 2.85Å; S320-L547 WeakPolarHBondContact CB-O 3.18Å; S320-Q551 PolarHBondContact O-N 3.25Å; S320-Q551 PolarHBondContact OG-NE2 3.41Å |
| 321 | Q | 91.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.009 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -125.1 | 36.5 | 177.1 | -59.8 | 178.9 | 6.7 | 0 | 0 | 111.7 | R236 D313 R314 S315 D318 L319 Q551 | R236-Q321 PolarHBondContact O-NE2 3.19Å; R236-Q321 PolarHBondContact O-OE1 2.94Å; D313-Q321 PolarHBondContact O-OE1 3.42Å; R314-Q321 CarbonylContact C-O 3.54Å; R314-Q321 WeakPolarHBondContact CA-O 3.42Å; R314-Q321 WeakPolarHBondContact CB-O 3.43Å; R314-Q321 VanDerWaalsContact CD-O 3.26Å; R314-Q321 WeakPolarHBondContact CD-O 3.38Å; S315-Q321 PolarHBondContact N-O 3.21Å; D318-Q321 HydrophobicContact CB-CB 4.5Å; D318-Q321 CarbonylContact O-C 3.57Å; D318-Q321 WeakPolarHBondContact O-CA 3.48Å; D318-Q321 PolarHBondContact O-N 3.32Å; L319-Q321 PolarHBondContact O-N 3.32Å; Q321-Q551 HydrophobicContact CG-CB 4.14Å; Q321-Q551 HydrophobicContact CG-CG 4.49Å |
| 322 | Y | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -62.1 | 144.8 | 178.6 | -154.8 | -84 | 0 | 0 | 0 | 112 | F3 D318 L319 V324 V387 L391 I435 E437 | F3-Y322 HydrophobicContact CD1-CE2 4.36Å; F3-Y322 AromaticContact CD2-CE2 3.82Å; F3-Y322 HydrophobicContact CD2-CE2 3.82Å; F3-Y322 AromaticContact CD2-CZ 3.53Å; F3-Y322 WeakPolarHBondContact CD2-OH 3.43Å; F3-Y322 HydrophobicContact CE1-CD2 4.44Å; F3-Y322 AromaticContact CE1-CE2 3.6Å; F3-Y322 HydrophobicContact CE1-CE2 3.6Å; F3-Y322 AromaticContact CE2-CD2 3.75Å; F3-Y322 HydrophobicContact CE2-CD2 3.75Å; F3-Y322 AromaticContact CE2-CE1 3.98Å; F3-Y322 HydrophobicContact CE2-CE1 3.98Å; F3-Y322 AromaticContact CE2-CE2 2.92Å; F3-Y322 HydrophobicContact CE2-CE2 2.92Å; F3-Y322 AromaticContact CE2-CZ 2.99Å; F3-Y322 WeakPolarHBondContact CE2-OH 3.46Å; F3-Y322 HydrophobicContact CG-CE2 4.45Å; F3-Y322 AromaticContact CZ-CD2 3.47Å; F3-Y322 HydrophobicContact CZ-CD2 3.47Å; F3-Y322 VanDerWaalsContact CZ-CD2 3.47Å; F3-Y322 AromaticContact CZ-CE2 2.8Å; F3-Y322 HydrophobicContact CZ-CE2 2.8Å; F3-Y322 AromaticContact CZ-CZ 3.46Å; F3-Y322 VanDerWaalsContact CZ-CZ 3.46Å; D318-Y322 PolarHBondContact O-N 2.92Å; L319-Y322 HydrophobicContact CD2-CD2 3.69Å; L319-Y322 HydrophobicContact CD2-CE2 3.91Å; Y322-V324 WeakPolarHBondContact O-CG2 3.4Å; Y322-V324 PolarHBondContact O-N 3.27Å; Y322-V387 HydrophobicContact CD1-CG1 4.38Å; Y322-V387 HydrophobicContact CD1-CG2 4.03Å; Y322-V387 HydrophobicContact CD2-CB 4.21Å; Y322-V387 HydrophobicContact CD2-CG1 3.38Å; Y322-V387 HydrophobicContact CD2-CG2 3.82Å; Y322-V387 HydrophobicContact CE1-CG1 4.4Å; Y322-V387 HydrophobicContact CE2-CB 4.37Å; Y322-V387 HydrophobicContact CE2-CG1 3.16Å; Y322-V387 HydrophobicContact CE2-CG2 4.34Å; Y322-V387 HydrophobicContact CG-CB 4.42Å; Y322-V387 HydrophobicContact CG-CG1 3.95Å; Y322-V387 HydrophobicContact CG-CG2 3.57Å; Y322-L391 HydrophobicContact CE2-CD1 4.24Å; Y322-L391 WeakPolarHBondContact OH-CD1 3.43Å; Y322-I435 HydrophobicContact CD1-CB 4.3Å; Y322-I435 HydrophobicContact CD1-CG2 3.85Å; Y322-I435 HydrophobicContact CE1-CB 3.83Å; Y322-I435 HydrophobicContact CE1-CG2 3.8Å; Y322-E437 PolarHBondContact OH-OE1 3.18Å; Y322-E437 PolarHBondContact OH-OE2 2.97Å | ||
| 323 | P | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.032 | 7% | 0.069 | C | C | . | . | trans | -55 | 135.9 | 174.2 | -28.3 | 35.8 | 0 | 0 | 0 | 113.6 | L253 N309 R314 P436 | L253-P323 HydrophobicContact CD2-CG 4.47Å; N309-P323 HydrophobicContact CB-CB 4.03Å; N309-P323 VanDerWaalsContact OD1-CA 3.29Å; N309-P323 WeakPolarHBondContact OD1-CA 3.41Å; R314-P323 HydrophobicContact CB-CB 4.49Å; R314-P323 HydrophobicContact CB-CG 4.2Å; P323-P436 HydrophobicContact CB-CG 3.66Å; P323-P436 WeakPolarHBondContact O-CD 3.45Å | ||
| 324 | V | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | trans | -112.6 | 134.3 | -175.4 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | N309 Y322 Y381 S382 E433 W498 | N309-V324 PolarHBondContact ND2-O 2.93Å; N309-V324 PolarHBondContact OD1-N 3.46Å; Y322-V324 WeakPolarHBondContact O-CG2 3.4Å; Y322-V324 PolarHBondContact O-N 3.27Å; V324-Y381 HydrophobicContact CB-CE2 4.5Å; V324-Y381 HydrophobicContact CG1-CD2 3.83Å; V324-Y381 HydrophobicContact CG1-CE2 4.01Å; V324-Y381 HydrophobicContact CG2-CD2 4.29Å; V324-Y381 HydrophobicContact CG2-CE2 4.1Å; V324-S382 VanDerWaalsContact CG2-CB 3.45Å; V324-E433 HydrophobicContact CG1-CB 3.67Å; V324-E433 HydrophobicContact CG1-CG 4.31Å; V324-W498 HydrophobicContact CG1-CH2 4.28Å; V324-W498 HydrophobicContact CG1-CZ2 4.13Å | ||
| 325 | F | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 148.8 | 175.8 | -89.3 | -119.3 | 0 | 0 | 0 | 110.2 | Y302 L305 L434 P436 Y439 L486 | Y302-F325 HydrophobicContact CD2-CD1 4.46Å; Y302-F325 AromaticContact CD2-CE1 3.47Å; Y302-F325 HydrophobicContact CD2-CE1 3.47Å; Y302-F325 VanDerWaalsContact CD2-CE1 3.47Å; Y302-F325 AromaticContact CD2-CZ 3.91Å; Y302-F325 HydrophobicContact CD2-CZ 3.91Å; Y302-F325 AromaticContact CE2-CE1 3.98Å; Y302-F325 HydrophobicContact CE2-CE1 3.98Å; Y302-F325 HydrophobicContact CE2-CZ 4.13Å; Y302-F325 HydrophobicContact CG-CE1 4.19Å; Y302-F325 HydrophobicContact CG-CZ 4.45Å; L305-F325 HydrophobicContact CB-CD1 4.36Å; L305-F325 HydrophobicContact CB-CE1 3.69Å; L305-F325 HydrophobicContact CB-CE2 3.9Å; L305-F325 HydrophobicContact CB-CZ 3.43Å; L305-F325 VanDerWaalsContact CB-CZ 3.43Å; L305-F325 HydrophobicContact CD1-CD1 3.66Å; L305-F325 HydrophobicContact CD1-CE1 3.62Å; L305-F325 HydrophobicContact CD1-CG 4.31Å; L305-F325 HydrophobicContact CD1-CZ 4.23Å; L305-F325 HydrophobicContact CG-CE1 4.33Å; L305-F325 HydrophobicContact CG-CZ 4.5Å; F325-L434 HydrophobicContact CB-CB 4.46Å; F325-L434 PolarHBondContact N-O 2.86Å; F325-L434 CarbonylContact O-C 3.57Å; F325-L434 WeakPolarHBondContact O-CA 3.42Å; F325-L434 WeakPolarHBondContact O-CB 3.22Å; F325-L434 PolarHBondContact O-N 3.01Å; F325-L434 VanDerWaalsContact O-O 3.08Å; F325-P436 HydrophobicContact CD2-CB 4.1Å; F325-P436 HydrophobicContact CD2-CG 3.68Å; F325-P436 HydrophobicContact CE2-CB 3.95Å; F325-P436 HydrophobicContact CE2-CG 3.67Å; F325-P436 HydrophobicContact CZ-CB 4.35Å; F325-Y439 HydrophobicContact CB-CD2 4.12Å; F325-Y439 HydrophobicContact CB-CE2 3.9Å; F325-Y439 AromaticContact CD1-CD2 3.52Å; F325-Y439 HydrophobicContact CD1-CD2 3.52Å; F325-Y439 AromaticContact CD1-CE2 3.95Å; F325-Y439 HydrophobicContact CD1-CE2 3.95Å; F325-Y439 HydrophobicContact CD1-CG 4.32Å; F325-Y439 HydrophobicContact CE1-CD2 4.35Å; F325-Y439 HydrophobicContact CG-CD2 4.16Å; F325-Y439 HydrophobicContact CG-CE2 4.39Å; F325-L486 HydrophobicContact CD1-CD2 4.31Å; F325-L486 HydrophobicContact CE1-CD2 4.16Å |
| 326 | P | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -69.4 | 149.1 | 179.4 | 25.1 | -30.5 | 0 | 0 | 0 | 111.7 | L305 V328 L348 E433 Y439 L495 W498 | L305-P326 HydrophobicContact CD1-CG 4.39Å; P326-V328 HydrophobicContact CG-CG2 4.15Å; P326-V328 PolarHBondContact O-N 3.34Å; P326-L348 HydrophobicContact CB-CD2 3.84Å; P326-L348 HydrophobicContact CG-CD2 4.4Å; P326-E433 WeakPolarHBondContact CA-OE2 3.21Å; P326-Y439 PolarHBondContact O-OH 2.99Å; P326-L495 HydrophobicContact CG-CD1 4.13Å; P326-W498 HydrophobicContact CB-CD2 3.78Å; P326-W498 HydrophobicContact CB-CE3 4.43Å; P326-W498 HydrophobicContact CB-CG 4Å; P326-W498 HydrophobicContact CB-CZ2 3.96Å; P326-W498 HydrophobicContact CG-CD2 4.08Å; P326-W498 HydrophobicContact CG-CE3 4.25Å; P326-W498 HydrophobicContact CG-CZ2 4.37Å; P326-W498 HydrophobicContact CG-CZ3 4.49Å | ||
| 327 | W | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -61.9 | 121.4 | 148 | -74.7 | 91.1 | 0 | 0 | 0 | 109.6 | Y332 R346 I352 I417 T420 W421 K432 E433 L434 | W327-Y332 AromaticContact CE3-CE2 3.99Å; W327-Y332 HydrophobicContact CE3-CE2 3.99Å; W327-Y332 AromaticContact CE3-CZ 3.82Å; W327-Y332 HydrophobicContact CZ3-CE1 4.38Å; W327-Y332 AromaticContact CZ3-CE2 3.75Å; W327-Y332 HydrophobicContact CZ3-CE2 3.75Å; W327-Y332 AromaticContact CZ3-CZ 3.52Å; W327-Y332 WeakPolarHBondContact CZ3-OH 3.32Å; W327-R346 WeakPolarHBondContact O-CD 3.2Å; W327-I352 HydrophobicContact CG-CD1 4.3Å; W327-I417 HydrophobicContact CZ3-CG2 4.49Å; W327-T420 HydrophobicContact CH2-CG2 4.27Å; W327-T420 HydrophobicContact CZ2-CG2 4.14Å; W327-W421 HydrophobicContact CB-CE3 4.28Å; W327-W421 HydrophobicContact CB-CH2 4.29Å; W327-W421 HydrophobicContact CB-CZ3 3.58Å; W327-W421 AromaticContact CD2-CE3 3.58Å; W327-W421 HydrophobicContact CD2-CE3 3.58Å; W327-W421 AromaticContact CD2-CZ3 3.81Å; W327-W421 HydrophobicContact CD2-CZ3 3.81Å; W327-W421 HydrophobicContact CE3-CD2 4.43Å; W327-W421 AromaticContact CE3-CE3 3.67Å; W327-W421 HydrophobicContact CE3-CE3 3.67Å; W327-W421 HydrophobicContact CE3-CZ3 4.17Å; W327-W421 AromaticContact CG-CE3 3.87Å; W327-W421 HydrophobicContact CG-CE3 3.87Å; W327-W421 AromaticContact CG-CZ3 3.56Å; W327-W421 HydrophobicContact CG-CZ3 3.56Å; W327-W421 HydrophobicContact CH2-CB 4.36Å; W327-W421 HydrophobicContact CZ3-CB 4.27Å; W327-W421 HydrophobicContact CZ3-CE3 4.24Å; W327-K432 PolarHBondContact NE1-O 2.92Å; W327-E433 PolarHBondContact N-OE2 3Å; W327-L434 HydrophobicContact CD2-CD1 3.85Å; W327-L434 HydrophobicContact CD2-CD2 3.72Å; W327-L434 HydrophobicContact CD2-CG 3.61Å; W327-L434 HydrophobicContact CE3-CD1 3.87Å; W327-L434 HydrophobicContact CE3-CD2 4.07Å; W327-L434 HydrophobicContact CE3-CG 4.1Å; W327-L434 HydrophobicContact CG-CD1 4.15Å; W327-L434 HydrophobicContact CG-CD2 4.36Å; W327-L434 HydrophobicContact CG-CG 3.8Å; W327-L434 HydrophobicContact CH2-CD2 3.75Å; W327-L434 HydrophobicContact CZ2-CD2 3.36Å; W327-L434 HydrophobicContact CZ2-CG 4.21Å; W327-L434 HydrophobicContact CZ3-CD1 4.37Å; W327-L434 HydrophobicContact CZ3-CD2 4.08Å | ||
| 328 | V | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | trans | -99.8 | -47.6 | 177.7 | 166.5 | 0 | 0 | 0 | 0 | 111.8 | P326 F345 R346 Y439 A485 L486 V491 | P326-V328 HydrophobicContact CG-CG2 4.15Å; P326-V328 PolarHBondContact O-N 3.34Å; V328-F345 HydrophobicContact CG1-CD1 3.91Å; V328-F345 HydrophobicContact CG1-CE1 4.27Å; V328-F345 CarbonylContact O-C 3.58Å; V328-F345 WeakPolarHBondContact O-CA 3.38Å; V328-R346 PolarHBondContact O-N 3.18Å; V328-Y439 WeakPolarHBondContact CB-OH 3.37Å; V328-Y439 HydrophobicContact CG2-CE1 4.33Å; V328-Y439 VanDerWaalsContact CG2-OH 3.28Å; V328-Y439 WeakPolarHBondContact CG2-OH 3.27Å; V328-Y439 PolarHBondContact N-OH 3.24Å; V328-A485 HydrophobicContact CG1-CB 3.84Å; V328-L486 HydrophobicContact CG2-CD1 3.92Å; V328-V491 HydrophobicContact CG1-CG2 3.44Å; V328-V491 VanDerWaalsContact CG1-CG2 3.44Å; V328-V491 HydrophobicContact CG2-CG1 4.5Å; V328-V491 HydrophobicContact CG2-CG2 4.3Å | ||
| 329 | I | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 137 | -177.9 | -61.1 | 161.2 | 0 | 0 | 0 | 109 | D331 Y332 F337 T344 W471 A485 | I329-D331 WeakPolarHBondContact CG2-O 3.34Å; I329-Y332 HydrophobicContact CB-CE1 4.13Å; I329-Y332 WeakPolarHBondContact CB-OH 3.48Å; I329-Y332 HydrophobicContact CG2-CD1 4.39Å; I329-Y332 HydrophobicContact CG2-CE1 3.9Å; I329-Y332 HydrophobicContact CG2-CE2 4.33Å; I329-Y332 WeakPolarHBondContact O-CE2 3.25Å; I329-Y332 VanDerWaalsContact O-CZ 3.25Å; I329-Y332 PolarHBondContact O-OH 3.5Å; I329-F337 HydrophobicContact CD1-CE2 3.65Å; I329-F337 HydrophobicContact CD1-CZ 3.5Å; I329-F337 HydrophobicContact CG1-CE2 3.95Å; I329-F337 HydrophobicContact CG1-CZ 3.93Å; I329-F337 HydrophobicContact CG2-CE2 4.05Å; I329-T344 CarbonylContact C-O 3.43Å; I329-T344 WeakPolarHBondContact CA-O 3.46Å; I329-T344 HydrophobicContact CG2-CG2 4.42Å; I329-W471 HydrophobicContact CD1-CH2 4.25Å; I329-W471 HydrophobicContact CD1-CZ2 4.34Å; I329-W471 HydrophobicContact CG2-CZ2 4.46Å; I329-A485 HydrophobicContact CD1-CB 3.83Å; I329-A485 HydrophobicContact CG1-CB 3.7Å |
| 330 | A | 95.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 37 Ų | 37 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | trans | -106.3 | -22.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | T344 W421 | A330-T344 PolarHBondContact N-O 3.12Å; A330-W421 HydrophobicContact CB-CZ2 3.89Å; A330-W421 PolarHBondContact O-NE1 3.03Å | ||
| 331 | D | 94.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | trans | -97.5 | 105.4 | 179.2 | -173.7 | 4.8 | 0 | 0 | 0 | 113.3 | I329 T333 S334 W471 | I329-D331 WeakPolarHBondContact CG2-O 3.34Å; D331-T333 PolarHBondContact OD1-N 3.24Å; D331-T333 PolarHBondContact OD1-OG1 2.97Å; D331-T333 VanDerWaalsContact OD1-OG1 3.11Å; D331-S334 PolarHBondContact OD1-N 3.48Å; D331-S334 PolarHBondContact OD1-OG 2.86Å; D331-S334 WeakPolarHBondContact OD2-CB 3.16Å; D331-S334 PolarHBondContact OD2-OG 2.83Å; D331-W471 PolarHBondContact O-NE1 3.39Å | ||
| 332 | Y | 95.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | trans | -114 | 17 | 174.7 | -60.1 | -74 | 0 | 0 | 0 | 112.9 | W327 I329 I417 W421 P469 W471 F478 H482 | W327-Y332 AromaticContact CE3-CE2 3.99Å; W327-Y332 HydrophobicContact CE3-CE2 3.99Å; W327-Y332 AromaticContact CE3-CZ 3.82Å; W327-Y332 HydrophobicContact CZ3-CE1 4.38Å; W327-Y332 AromaticContact CZ3-CE2 3.75Å; W327-Y332 HydrophobicContact CZ3-CE2 3.75Å; W327-Y332 AromaticContact CZ3-CZ 3.52Å; W327-Y332 WeakPolarHBondContact CZ3-OH 3.32Å; I329-Y332 HydrophobicContact CB-CE1 4.13Å; I329-Y332 WeakPolarHBondContact CB-OH 3.48Å; I329-Y332 HydrophobicContact CG2-CD1 4.39Å; I329-Y332 HydrophobicContact CG2-CE1 3.9Å; I329-Y332 HydrophobicContact CG2-CE2 4.33Å; I329-Y332 WeakPolarHBondContact O-CE2 3.25Å; I329-Y332 VanDerWaalsContact O-CZ 3.25Å; I329-Y332 PolarHBondContact O-OH 3.5Å; Y332-I417 HydrophobicContact CD1-CG2 3.41Å; Y332-I417 VanDerWaalsContact CD1-CG2 3.41Å; Y332-I417 HydrophobicContact CE1-CG2 3.52Å; Y332-I417 HydrophobicContact CG-CG2 3.94Å; Y332-W421 HydrophobicContact CD2-CB 3.63Å; Y332-W421 AromaticContact CD2-CD1 3.55Å; Y332-W421 HydrophobicContact CD2-CD2 4.37Å; Y332-W421 AromaticContact CD2-CG 3.57Å; Y332-W421 HydrophobicContact CD2-CG 3.57Å; Y332-W421 HydrophobicContact CE2-CB 3.77Å; Y332-W421 AromaticContact CE2-CD1 3.9Å; Y332-W421 AromaticContact CE2-CD2 3.96Å; Y332-W421 HydrophobicContact CE2-CD2 3.96Å; Y332-W421 AromaticContact CE2-CG 3.59Å; Y332-W421 HydrophobicContact CE2-CG 3.59Å; Y332-P469 HydrophobicContact CD1-CB 4.48Å; Y332-P469 HydrophobicContact CD1-CG 3.57Å; Y332-P469 HydrophobicContact CG-CG 4.32Å; Y332-W471 AromaticContact CD1-CZ2 3.99Å; Y332-W471 HydrophobicContact CD1-CZ2 3.99Å; Y332-W471 HydrophobicContact CE1-CZ2 4.21Å; Y332-F478 HydrophobicContact CE1-CE2 4.49Å; Y332-H482 AromaticContact CE1-NE2 3.67Å | ||
| 333 | T | 94 | Very high | 93.5 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -121.2 | -28.7 | -172.6 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | D331 | D331-T333 PolarHBondContact OD1-N 3.24Å; D331-T333 PolarHBondContact OD1-OG1 2.97Å; D331-T333 VanDerWaalsContact OD1-OG1 3.11Å |
| 334 | S | 93.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | trans | -67.7 | 157.6 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | D331 W471 | D331-S334 PolarHBondContact OD1-N 3.48Å; D331-S334 PolarHBondContact OD1-OG 2.86Å; D331-S334 WeakPolarHBondContact OD2-CB 3.16Å; D331-S334 PolarHBondContact OD2-OG 2.83Å; S334-W471 VanDerWaalsContact O-CD1 3.32Å | ||
| 335 | T | 92.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 49.2 Ų | 49.2 | 69% | 0.693 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -85.1 | -21.9 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | P470 | T335-P470 HydrophobicContact CG2-CB 4.29Š|
| 336 | Q | 89.4 | Confident | 93.3 | Very high | 156 Ų | 156 | 49.5 Ų | 49.5 | 73% | 0.729 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -113.8 | 143 | 179.1 | -66.7 | -96 | -18.8 | 0 | 0 | 108.7 | ||
| 337 | F | 91.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | trans | -107.2 | 103.9 | 177.5 | -172.8 | -115.9 | 0 | 0 | 0 | 109.4 | I329 L339 T344 W471 K481 A485 | I329-F337 HydrophobicContact CD1-CE2 3.65Å; I329-F337 HydrophobicContact CD1-CZ 3.5Å; I329-F337 HydrophobicContact CG1-CE2 3.95Å; I329-F337 HydrophobicContact CG1-CZ 3.93Å; I329-F337 HydrophobicContact CG2-CE2 4.05Å; F337-L339 HydrophobicContact CD1-CD2 4.49Å; F337-L339 HydrophobicContact CD1-CG 4.37Å; F337-L339 HydrophobicContact CE1-CD1 4.32Å; F337-L339 HydrophobicContact CE1-CD2 3.56Å; F337-L339 HydrophobicContact CE1-CG 3.84Å; F337-L339 HydrophobicContact CZ-CD2 3.67Å; F337-L339 HydrophobicContact CZ-CG 4.39Å; F337-T344 HydrophobicContact CD2-CG2 4.27Å; F337-T344 HydrophobicContact CE2-CG2 3.75Å; F337-T344 HydrophobicContact CZ-CG2 4.4Å; F337-W471 HydrophobicContact CB-CB 3.91Å; F337-W471 HydrophobicContact CB-CD2 4.12Å; F337-W471 HydrophobicContact CB-CE3 4.34Å; F337-W471 HydrophobicContact CB-CG 3.96Å; F337-W471 AromaticContact CD2-CD2 3.91Å; F337-W471 HydrophobicContact CD2-CD2 3.91Å; F337-W471 AromaticContact CD2-CE2 3.82Å; F337-W471 HydrophobicContact CD2-CE3 4.29Å; F337-W471 HydrophobicContact CD2-CG 4.25Å; F337-W471 HydrophobicContact CD2-CZ2 4.17Å; F337-W471 HydrophobicContact CE2-CZ2 4.2Å; F337-W471 HydrophobicContact CG-CD2 4.2Å; F337-W471 HydrophobicContact CG-CE3 4.29Å; F337-W471 HydrophobicContact CG-CG 4.47Å; F337-K481 HydrophobicContact CB-CD 4.49Å; F337-K481 HydrophobicContact CD1-CB 4.08Å; F337-K481 HydrophobicContact CD1-CD 4.05Å; F337-K481 HydrophobicContact CD1-CG 3.99Å; F337-K481 HydrophobicContact CE1-CB 3.87Å; F337-K481 HydrophobicContact CE1-CG 4.23Å; F337-K481 HydrophobicContact CG-CD 4.39Å; F337-K481 HydrophobicContact CZ-CB 4.49Å; F337-A485 HydrophobicContact CZ-CB 4.09Å | ||
| 338 | D | 89.7 | Confident | 93.2 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | trans | -109.6 | 111.5 | -176.8 | -173.7 | 5.4 | 0 | 0 | 0 | 111.5 | A340 N341 T344 | D338-A340 VanDerWaalsContact C-N 3.31Å; D338-A340 VanDerWaalsContact OD1-CB 3.31Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.46Å; D338-N341 HydrophobicContact CB-CB 4.37Å; D338-T344 WeakPolarHBondContact O-CB 3.26Å; D338-T344 PolarHBondContact O-OG1 2.86Å | ||
| 339 | L | 89.4 | Confident | 93.1 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.6 | 177.3 | -68.9 | 172.6 | 0 | 0 | 0 | 113.3 | F337 F345 L484 A485 | F337-L339 HydrophobicContact CD1-CD2 4.49Å; F337-L339 HydrophobicContact CD1-CG 4.37Å; F337-L339 HydrophobicContact CE1-CD1 4.32Å; F337-L339 HydrophobicContact CE1-CD2 3.56Å; F337-L339 HydrophobicContact CE1-CG 3.84Å; F337-L339 HydrophobicContact CZ-CD2 3.67Å; F337-L339 HydrophobicContact CZ-CG 4.39Å; L339-F345 HydrophobicContact CB-CZ 4.41Å; L339-F345 HydrophobicContact CD2-CE1 4.13Å; L339-F345 HydrophobicContact CD2-CZ 3.72Å; L339-F345 WeakPolarHBondContact O-CE2 3.46Å; L339-L484 HydrophobicContact CD1-CB 4.31Å; L339-A485 HydrophobicContact CD2-CB 3.92Å |
| 340 | A | 87.3 | Confident | 93.1 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -19.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D338 | D338-A340 VanDerWaalsContact C-N 3.31Å; D338-A340 VanDerWaalsContact OD1-CB 3.31Å; D338-A340 WeakPolarHBondContact OD1-CB 3.34Å; D338-A340 PolarHBondContact OD1-N 3.46Å |
| 341 | N | 89.4 | Confident | 93.2 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | trans | -81.8 | 124.2 | 177.3 | -174.3 | 3.1 | 0 | 0 | 0 | 110.8 | D338 D343 T344 F345 | D338-N341 HydrophobicContact CB-CB 4.37Å; N341-D343 PolarHBondContact O-N 2.89Å; N341-D343 PolarHBondContact OD1-N 3.48Å; N341-T344 WeakPolarHBondContact O-CB 3.33Å; N341-T344 PolarHBondContact O-N 2.92Å; N341-T344 PolarHBondContact O-OG1 3.04Å; N341-F345 WeakPolarHBondContact O-CD2 3.46Å | ||
| 342 | S | 88.5 | Confident | 93.4 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -62.8 | -31.6 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | T344 F345 | S342-T344 PolarHBondContact O-N 3.41Å; S342-F345 PolarHBondContact O-N 3.3Å |
| 343 | D | 89.4 | Confident | 93.3 | Very high | 123 Ų | 123 | 55.7 Ų | 55.7 | 66% | 0.658 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -70.7 | -15.4 | -178.4 | -61 | -19.7 | 0 | 0 | 0 | 112.7 | N341 F345 | N341-D343 PolarHBondContact O-N 2.89Å; N341-D343 PolarHBondContact OD1-N 3.48Å; D343-F345 PolarHBondContact O-N 2.86Å |
| 344 | T | 93.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -66.8 | -24.6 | 171.3 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | I329 A330 F337 D338 N341 S342 | I329-T344 CarbonylContact C-O 3.43Å; I329-T344 WeakPolarHBondContact CA-O 3.46Å; I329-T344 HydrophobicContact CG2-CG2 4.42Å; A330-T344 PolarHBondContact N-O 3.12Å; F337-T344 HydrophobicContact CD2-CG2 4.27Å; F337-T344 HydrophobicContact CE2-CG2 3.75Å; F337-T344 HydrophobicContact CZ-CG2 4.4Å; D338-T344 WeakPolarHBondContact O-CB 3.26Å; D338-T344 PolarHBondContact O-OG1 2.86Å; N341-T344 WeakPolarHBondContact O-CB 3.33Å; N341-T344 PolarHBondContact O-N 2.92Å; N341-T344 PolarHBondContact O-OG1 3.04Å; S342-T344 PolarHBondContact O-N 3.41Å |
| 345 | F | 96.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 147 | -174.5 | -58.9 | -86.4 | 0 | 0 | 0 | 112.5 | V328 L339 N341 S342 D343 A485 S488 Y490 V491 | V328-F345 HydrophobicContact CG1-CD1 3.91Å; V328-F345 HydrophobicContact CG1-CE1 4.27Å; V328-F345 CarbonylContact O-C 3.58Å; V328-F345 WeakPolarHBondContact O-CA 3.38Å; L339-F345 HydrophobicContact CB-CZ 4.41Å; L339-F345 HydrophobicContact CD2-CE1 4.13Å; L339-F345 HydrophobicContact CD2-CZ 3.72Å; L339-F345 WeakPolarHBondContact O-CE2 3.46Å; N341-F345 WeakPolarHBondContact O-CD2 3.46Å; S342-F345 PolarHBondContact O-N 3.3Å; D343-F345 PolarHBondContact O-N 2.86Å; F345-A485 HydrophobicContact CE1-CB 4.34Å; F345-S488 WeakPolarHBondContact CE1-OG 3.5Å; F345-Y490 HydrophobicContact CB-CD1 3.51Å; F345-Y490 HydrophobicContact CB-CE1 3.28Å; F345-Y490 HydrophobicContact CB-CG 4.36Å; F345-Y490 AromaticContact CD1-CD1 3.74Å; F345-Y490 HydrophobicContact CD1-CD1 3.74Å; F345-Y490 HydrophobicContact CD1-CE1 4.39Å; F345-Y490 HydrophobicContact CD1-CG 4.39Å; F345-Y490 AromaticContact CD2-CD1 3.77Å; F345-Y490 HydrophobicContact CD2-CD1 3.77Å; F345-Y490 HydrophobicContact CD2-CD2 4.33Å; F345-Y490 HydrophobicContact CD2-CE1 4.25Å; F345-Y490 AromaticContact CD2-CG 3.82Å; F345-Y490 HydrophobicContact CD2-CG 3.82Å; F345-Y490 HydrophobicContact CE1-CD1 4.38Å; F345-Y490 HydrophobicContact CE2-CD1 4.41Å; F345-Y490 HydrophobicContact CE2-CG 4.16Å; F345-Y490 AromaticContact CG-CD1 3.39Å; F345-Y490 HydrophobicContact CG-CD1 3.39Å; F345-Y490 AromaticContact CG-CE1 3.75Å; F345-Y490 HydrophobicContact CG-CE1 3.75Å; F345-Y490 AromaticContact CG-CG 3.94Å; F345-Y490 HydrophobicContact CG-CG 3.94Å; F345-V491 HydrophobicContact CD1-CG2 3.95Å; F345-V491 HydrophobicContact CE1-CG2 4.04Å |
| 346 | R | 96.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | trans | -69.9 | 145.7 | 167 | 177.3 | -159.4 | 167.1 | 157.2 | -8 | 110 | W327 V328 L348 K350 L355 W421 E433 | W327-R346 WeakPolarHBondContact O-CD 3.2Å; V328-R346 PolarHBondContact O-N 3.18Å; R346-L348 PolarHBondContact O-N 2.7Å; R346-L348 VanDerWaalsContact O-N 3.14Å; R346-K350 PolarHBondContact NH2-O 2.97Å; R346-L355 HydrophobicContact CG-CD1 3.87Å; R346-L355 HydrophobicContact CG-CD2 3.96Å; R346-W421 HydrophobicContact CB-CH2 4.36Å; R346-W421 HydrophobicContact CG-CH2 4.14Å; R346-E433 IonicContact CZ-OE1 3.67Å; R346-E433 VanDerWaalsContact CZ-OE1 3.28Å; R346-E433 IonicContact NH1-OE1 2.62Å; R346-E433 PolarHBondContact NH1-OE1 3.08Å; R346-E433 IonicContact NH1-OE2 2.72Å; R346-E433 PolarHBondContact NH1-OE2 2.79Å; R346-E433 IonicContact NH2-OE1 3.9Å; R346-E433 PolarHBondContact NH2-OE1 2.82Å | ||
| 347 | D | 96.9 | Very high | 94 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | trans | -63.8 | 104 | 160.4 | -173.2 | -10.8 | 0 | 0 | 0 | 111.1 | S349 K350 L355 | D347-S349 VanDerWaalsContact C-N 3.28Å; D347-S349 PolarHBondContact O-N 3.2Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 3.04Å; D347-S349 VanDerWaalsContact OD1-N 3.09Å; D347-S349 PolarHBondContact OD1-OG 3.28Å; D347-K350 WeakPolarHBondContact OD2-CD 3.4Å; D347-K350 VanDerWaalsContact OD2-CE 3.25Å; D347-K350 WeakPolarHBondContact OD2-CE 3.47Å; D347-K350 IonicContact OD2-NZ 3.72Å; D347-K350 PolarHBondContact OD2-NZ 3.01Å; D347-L355 HydrophobicContact CB-CD2 4.12Å | ||
| 348 | L | 97.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -15.9 | -177.6 | -73.5 | 172.2 | 0 | 0 | 0 | 113 | P326 R346 K350 V491 H494 W498 | P326-L348 HydrophobicContact CB-CD2 3.84Å; P326-L348 HydrophobicContact CG-CD2 4.4Å; R346-L348 PolarHBondContact O-N 2.7Å; R346-L348 VanDerWaalsContact O-N 3.14Å; L348-K350 PolarHBondContact O-N 3.04Å; L348-V491 HydrophobicContact CD1-CG1 4.06Å; L348-V491 HydrophobicContact CD1-CG2 4.43Å; L348-H494 HydrophobicContact CB-CB 4.32Å; L348-H494 HydrophobicContact CD1-CB 4.1Å; L348-W498 HydrophobicContact CB-CB 4.11Å; L348-W498 HydrophobicContact CD2-CB 4.1Å; L348-W498 HydrophobicContact CD2-CG 4.3Å; L348-W498 VanDerWaalsContact O-CA 3.31Å; L348-W498 WeakPolarHBondContact O-CA 3.41Å; L348-W498 WeakPolarHBondContact O-CB 3.4Å; L348-W498 PolarHBondContact O-N 3.07Å |
| 349 | S | 97.2 | Very high | 94.4 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13.5 | 177 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | D347 E497 | D347-S349 VanDerWaalsContact C-N 3.28Å; D347-S349 PolarHBondContact O-N 3.2Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 3.04Å; D347-S349 VanDerWaalsContact OD1-N 3.09Å; D347-S349 PolarHBondContact OD1-OG 3.28Å; S349-E497 WeakPolarHBondContact CB-OE2 3.17Å; S349-E497 PolarHBondContact N-OE2 3.22Å |
| 350 | K | 97.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -115.7 | 140.4 | -174.9 | -69 | 177.7 | -172.6 | 137.8 | 0 | 112.3 | R346 D347 L348 A354 L355 L501 | R346-K350 PolarHBondContact NH2-O 2.97Å; D347-K350 WeakPolarHBondContact OD2-CD 3.4Å; D347-K350 VanDerWaalsContact OD2-CE 3.25Å; D347-K350 WeakPolarHBondContact OD2-CE 3.47Å; D347-K350 IonicContact OD2-NZ 3.72Å; D347-K350 PolarHBondContact OD2-NZ 3.01Å; L348-K350 PolarHBondContact O-N 3.04Å; K350-A354 HydrophobicContact CB-CB 4.22Å; K350-L355 HydrophobicContact CB-CD2 4.02Å; K350-L501 VanDerWaalsContact C-CD1 3.5Å |
| 351 | P | 97.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | trans | -66.6 | 158.7 | 167.6 | 28.8 | -33.6 | 0 | 0 | 0 | 110.7 | G353 A354 A515 H516 N517 | P351-G353 PolarHBondContact O-N 3.31Å; P351-G353 VanDerWaalsContact O-N 3.09Å; P351-A354 HydrophobicContact CG-CB 3.96Å; P351-A354 PolarHBondContact O-N 3.42Å; P351-A515 WeakPolarHBondContact CD-O 3.46Å; P351-H516 WeakPolarHBondContact CG-O 3.27Å; P351-N517 HydrophobicContact CG-CB 4.31Å | ||
| 352 | I | 97 | Very high | 95.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -48.1 | -44.9 | -179.1 | -72.1 | -73.7 | 0 | 0 | 0 | 111.7 | W327 A354 L355 R359 W421 C424 F431 E433 | W327-I352 HydrophobicContact CG-CD1 4.3Å; I352-A354 PolarHBondContact O-N 3.35Å; I352-L355 HydrophobicContact CD1-CD1 4.06Å; I352-L355 PolarHBondContact O-N 2.97Å; I352-R359 PolarHBondContact O-NH2 3.45Å; I352-W421 HydrophobicContact CD1-CZ3 3.89Å; I352-C424 HydrophobicContact CG2-CB 4.08Å; I352-C424 WeakPolarHBondContact CG2-O 3.37Å; I352-F431 HydrophobicContact CG2-CB 4.4Å; I352-F431 HydrophobicContact CG2-CD1 4.45Å; I352-E433 HydrophobicContact CG1-CG 4.35Å |
| 353 | G | 94.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.7 | -29.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | P351 | P351-G353 PolarHBondContact O-N 3.31Å; P351-G353 VanDerWaalsContact O-N 3.09Å |
| 354 | A | 96.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -94.8 | -3.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K350 P351 I352 N356 L360 H516 | K350-A354 HydrophobicContact CB-CB 4.22Å; P351-A354 HydrophobicContact CG-CB 3.96Å; P351-A354 PolarHBondContact O-N 3.42Å; I352-A354 PolarHBondContact O-N 3.35Å; A354-N356 VanDerWaalsContact C-N 3.34Å; A354-L360 HydrophobicContact CB-CD1 4.3Å; A354-L360 HydrophobicContact CB-CD2 4.14Å; A354-H516 HydrophobicContact CB-CB 4.41Å |
| 355 | L | 96.1 | Very high | 96 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -70.8 | -28.9 | 178.9 | -64.2 | 175 | 0 | 0 | 0 | 113.1 | R346 D347 K350 I352 W421 L425 | R346-L355 HydrophobicContact CG-CD1 3.87Å; R346-L355 HydrophobicContact CG-CD2 3.96Å; D347-L355 HydrophobicContact CB-CD2 4.12Å; K350-L355 HydrophobicContact CB-CD2 4.02Å; I352-L355 HydrophobicContact CD1-CD1 4.06Å; I352-L355 PolarHBondContact O-N 2.97Å; L355-W421 HydrophobicContact CD1-CH2 3.73Å; L355-W421 HydrophobicContact CD1-CZ2 4.47Å; L355-W421 HydrophobicContact CD1-CZ3 4.46Å; L355-L425 HydrophobicContact CB-CD2 3.66Å; L355-L425 HydrophobicContact CD1-CD2 3.72Å; L355-L425 HydrophobicContact CG-CD2 4.37Å |
| 356 | N | 96.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -108.8 | 112.2 | 176.5 | -178.9 | -28.4 | 0 | 0 | 0 | 109.8 | A354 E358 R359 L360 L425 | A354-N356 VanDerWaalsContact C-N 3.34Å; N356-E358 PolarHBondContact O-N 3.36Å; N356-E358 PolarHBondContact OD1-N 3.26Å; N356-E358 VanDerWaalsContact OD1-N 3.11Å; N356-R359 HydrophobicContact CB-CB 4.15Å; N356-R359 PolarHBondContact O-N 3Å; N356-R359 PolarHBondContact OD1-N 2.95Å; N356-L360 WeakPolarHBondContact O-CB 3.41Å; N356-L360 PolarHBondContact O-N 3.19Å; N356-L425 WeakPolarHBondContact CB-O 3.27Å; N356-L425 PolarHBondContact ND2-O 3.46Å |
| 357 | Q | 95.6 | Very high | 95.8 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | -175 | -169.2 | 62 | 45.6 | 0 | 0 | 113.2 | R359 L360 D361 | Q357-R359 VanDerWaalsContact C-N 3.25Å; Q357-R359 PolarHBondContact O-N 3.24Å; Q357-L360 WeakPolarHBondContact O-CB 3.44Å; Q357-L360 PolarHBondContact O-N 3.46Å; Q357-L360 VanDerWaalsContact O-N 3.12Å; Q357-D361 PolarHBondContact NE2-OD1 3.32Å; Q357-D361 PolarHBondContact O-N 3.44Å |
| 358 | E | 95.5 | Very high | 95.6 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 62% | 0.617 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.3 | -35.6 | -179.1 | -172.5 | -167.4 | 158.3 | 0 | 0 | 111.4 | N356 R362 | N356-E358 PolarHBondContact O-N 3.36Å; N356-E358 PolarHBondContact OD1-N 3.26Å; N356-E358 VanDerWaalsContact OD1-N 3.11Å; E358-R362 PolarHBondContact O-NE 2.89Å |
| 359 | R | 94.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 173.5 | -174.7 | 176.9 | 65.2 | 178.8 | -8.5 | 111.5 | I352 N356 Q357 D361 R362 L363 C424 L425 G427 D430 | I352-R359 PolarHBondContact O-NH2 3.45Å; N356-R359 HydrophobicContact CB-CB 4.15Å; N356-R359 PolarHBondContact O-N 3Å; N356-R359 PolarHBondContact OD1-N 2.95Å; Q357-R359 VanDerWaalsContact C-N 3.25Å; Q357-R359 PolarHBondContact O-N 3.24Å; R359-D361 VanDerWaalsContact C-N 3.3Å; R359-D361 PolarHBondContact O-N 3.46Å; R359-R362 PolarHBondContact O-N 3.49Å; R359-L363 HydrophobicContact CG-CD1 4.22Å; R359-L363 WeakPolarHBondContact O-CG 3.24Å; R359-L363 PolarHBondContact O-N 2.98Å; R359-L363 VanDerWaalsContact O-N 3.08Å; R359-C424 PolarHBondContact NH1-O 2.85Å; R359-C424 PolarHBondContact NH2-O 3.42Å; R359-L425 VanDerWaalsContact CZ-C 3.44Å; R359-L425 PolarHBondContact NE-O 2.65Å; R359-L425 VanDerWaalsContact NH1-C 3.32Å; R359-L425 PolarHBondContact NH1-O 3.23Å; R359-L425 PolarHBondContact NH2-O 2.87Å; R359-G427 WeakPolarHBondContact CD-O 3.49Å; R359-G427 PolarHBondContact NH1-O 3.39Å; R359-G427 VanDerWaalsContact NH1-O 3.11Å; R359-D430 PolarHBondContact NH1-O 3.04Å |
| 360 | L | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 179 | 177.7 | 61.1 | 0 | 0 | 0 | 111.4 | A354 N356 Q357 R362 L363 L364 H516 | A354-L360 HydrophobicContact CB-CD1 4.3Å; A354-L360 HydrophobicContact CB-CD2 4.14Å; N356-L360 WeakPolarHBondContact O-CB 3.41Å; N356-L360 PolarHBondContact O-N 3.19Å; Q357-L360 WeakPolarHBondContact O-CB 3.44Å; Q357-L360 PolarHBondContact O-N 3.46Å; Q357-L360 VanDerWaalsContact O-N 3.12Å; L360-R362 VanDerWaalsContact C-N 3.29Å; L360-R362 PolarHBondContact O-N 3.5Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 3.49Å; L360-L364 HydrophobicContact CD1-CD1 4.07Å; L360-L364 HydrophobicContact CD1-CD2 4.46Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 3.93Å; L360-L364 HydrophobicContact CG-CG 4.28Å; L360-L364 WeakPolarHBondContact O-CG 3.5Å; L360-L364 PolarHBondContact O-N 3.28Å; L360-H516 HydrophobicContact CD1-CB 4.03Å |
| 361 | D | 95.9 | Very high | 94.8 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 179.1 | -64.9 | -19.2 | 0 | 0 | 0 | 111.8 | Q357 R359 L364 A365 | Q357-D361 PolarHBondContact NE2-OD1 3.32Å; Q357-D361 PolarHBondContact O-N 3.44Å; R359-D361 VanDerWaalsContact C-N 3.3Å; R359-D361 PolarHBondContact O-N 3.46Å; D361-L364 PolarHBondContact O-N 3.26Å; D361-A365 WeakPolarHBondContact O-CB 3.35Å; D361-A365 PolarHBondContact O-N 3.47Å |
| 362 | R | 94.4 | Very high | 94.2 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 175.4 | -69.6 | -178.6 | -72.6 | 175.6 | 0.1 | 112.4 | E358 R359 L360 R366 | E358-R362 PolarHBondContact O-NE 2.89Å; R359-R362 PolarHBondContact O-N 3.49Å; L360-R362 VanDerWaalsContact C-N 3.29Å; L360-R362 PolarHBondContact O-N 3.5Å; R362-R366 PolarHBondContact O-N 3.01Å |
| 363 | L | 94.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 177.2 | -67.8 | 171.5 | 0 | 0 | 0 | 111.5 | R359 L360 R366 Y367 I376 Y377 F431 | R359-L363 HydrophobicContact CG-CD1 4.22Å; R359-L363 WeakPolarHBondContact O-CG 3.24Å; R359-L363 PolarHBondContact O-N 2.98Å; R359-L363 VanDerWaalsContact O-N 3.08Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 3.49Å; L363-R366 WeakPolarHBondContact O-CB 3.36Å; L363-R366 PolarHBondContact O-N 3.41Å; L363-Y367 WeakPolarHBondContact O-CB 3.29Å; L363-Y367 PolarHBondContact O-N 3.27Å; L363-I376 HydrophobicContact CB-CG2 4.02Å; L363-I376 HydrophobicContact CD1-CG2 4.42Å; L363-Y377 HydrophobicContact CD1-CD1 4.29Å; L363-Y377 HydrophobicContact CD1-CE1 3.83Å; L363-F431 HydrophobicContact CD1-CE1 3.94Å; L363-F431 HydrophobicContact CD1-CZ 3.99Å; L363-F431 HydrophobicContact CD2-CZ 4.17Å |
| 364 | L | 95.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 177.3 | -68.3 | 177 | 0 | 0 | 0 | 112 | L360 D361 R366 Y367 G368 I376 | L360-L364 HydrophobicContact CD1-CD1 4.07Å; L360-L364 HydrophobicContact CD1-CD2 4.46Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 3.93Å; L360-L364 HydrophobicContact CG-CG 4.28Å; L360-L364 WeakPolarHBondContact O-CG 3.5Å; L360-L364 PolarHBondContact O-N 3.28Å; D361-L364 PolarHBondContact O-N 3.26Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.44Å; L364-Y367 WeakPolarHBondContact O-CB 3.32Å; L364-Y367 PolarHBondContact O-N 3.39Å; L364-G368 PolarHBondContact O-N 3.46Å; L364-I376 HydrophobicContact CD2-CD1 4.25Å |
| 365 | A | 94.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D361 G369 | D361-A365 WeakPolarHBondContact O-CB 3.35Å; D361-A365 PolarHBondContact O-N 3.47Å; A365-G369 PolarHBondContact O-N 3.46Å |
| 366 | R | 94.7 | Very high | 93.5 | Very high | 107 Ų | 107 | 67.7 Ų | 67.7 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 173.3 | -177.1 | -178.5 | 70.4 | -169.9 | -1.8 | 111.6 | R362 L363 L364 G368 G369 M370 I376 | R362-R366 PolarHBondContact O-N 3.01Å; L363-R366 WeakPolarHBondContact O-CB 3.36Å; L363-R366 PolarHBondContact O-N 3.41Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.44Å; R366-G368 VanDerWaalsContact C-N 3.35Å; R366-G368 PolarHBondContact O-N 3.29Å; R366-G369 PolarHBondContact O-N 3.05Å; R366-M370 HydrophobicContact CG-CE 4.31Å; R366-M370 PolarHBondContact O-N 3.3Å; R366-I376 PolarHBondContact NH2-O 3.25Å |
| 367 | Y | 93.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 179.7 | 177.5 | -100.8 | 0 | 0 | 0 | 111.9 | L363 L364 G369 M370 R374 I376 | L363-Y367 WeakPolarHBondContact O-CB 3.29Å; L363-Y367 PolarHBondContact O-N 3.27Å; L364-Y367 WeakPolarHBondContact O-CB 3.32Å; L364-Y367 PolarHBondContact O-N 3.39Å; Y367-G369 VanDerWaalsContact C-N 3.29Å; Y367-G369 PolarHBondContact O-N 3.05Å; Y367-M370 PolarHBondContact O-N 3.37Å; Y367-R374 HydrophobicContact CD2-CB 3.83Å; Y367-R374 HydrophobicContact CE2-CB 3.36Å; Y367-R374 HydrophobicContact CE2-CG 4.48Å; Y367-I376 HydrophobicContact CD2-CG1 3.68Å; Y367-I376 HydrophobicContact CE2-CG1 4.06Å; Y367-I376 HydrophobicContact CG-CG1 4.05Å |
| 368 | G | 93.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -27.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L364 R366 | L364-G368 PolarHBondContact O-N 3.46Å; R366-G368 VanDerWaalsContact C-N 3.35Å; R366-G368 PolarHBondContact O-N 3.29Å |
| 369 | G | 91.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 71% | 0.711 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A365 R366 Y367 | A365-G369 PolarHBondContact O-N 3.46Å; R366-G369 PolarHBondContact O-N 3.05Å; Y367-G369 VanDerWaalsContact C-N 3.29Å; Y367-G369 PolarHBondContact O-N 3.05Å |
| 370 | M | 93.6 | Very high | 93 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 16% | 0.163 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -87.5 | 142.4 | -172.7 | -170.2 | -178.6 | -77.9 | 0 | 0 | 112 | R366 Y367 R374 F375 | R366-M370 HydrophobicContact CG-CE 4.31Å; R366-M370 PolarHBondContact O-N 3.3Å; Y367-M370 PolarHBondContact O-N 3.37Å; M370-R374 HydrophobicContact CB-CG 4.23Å; M370-R374 PolarHBondContact O-NE 2.88Å; M370-F375 HydrophobicContact CE-CD1 4.26Å; M370-F375 HydrophobicContact CE-CD2 4.29Å; M370-F375 HydrophobicContact CE-CE1 3.82Å; M370-F375 HydrophobicContact CE-CE2 3.84Å; M370-F375 HydrophobicContact CE-CG 4.48Å; M370-F375 HydrophobicContact CE-CZ 3.59Å; M370-F375 HydrophobicContact SD-CD1 3.6Å; M370-F375 HydrophobicContact SD-CE1 3.5Å; M370-F375 WeakPolarHBondContact SD-CE1 3.17Å; M370-F375 HydrophobicContact SD-CE2 4.44Å; M370-F375 HydrophobicContact SD-CG 4.13Å; M370-F375 HydrophobicContact SD-CZ 3.95Å |
| 371 | P | 90.3 | Very high | 93 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -66 | 156.8 | 168.1 | 28.9 | -35.2 | 0 | 0 | 0 | 111.5 | P373 | P371-P373 CarbonylContact O-C 3.55Š|
| 372 | E | 85.8 | Confident | 93 | Very high | 134 Ų | 134 | 53.4 Ų | 53.4 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -71 | 145.2 | 173 | -67.6 | -61.5 | 159.9 | 0 | 0 | 111.3 | R374 | E372-R374 VanDerWaalsContact OE1-CD 3.25Å; E372-R374 WeakPolarHBondContact OE1-CD 3.5Å; E372-R374 WeakPolarHBondContact OE1-CG 3.36Å; E372-R374 IonicContact OE1-CZ 3.35Å; E372-R374 IonicContact OE1-NE 2.67Å; E372-R374 PolarHBondContact OE1-NE 2.9Å; E372-R374 IonicContact OE1-NH1 3.6Å; E372-R374 PolarHBondContact OE2-N 2.54Å |
| 373 | P | 87.6 | Confident | 93 | Very high | 88 Ų | 88 | 47 Ų | 47 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -76.2 | 126.3 | -2.8 | 29.7 | -35.1 | 0 | 0 | 0 | 113.2 | P371 P521 | P371-P373 CarbonylContact O-C 3.55Å; P373-P521 HydrophobicContact CB-CG 3.77Å; P373-P521 HydrophobicContact CG-CB 4.36Å; P373-P521 HydrophobicContact CG-CG 3.67Å |
| 374 | R | 91.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 149.6 | -178.1 | -63.7 | 176.6 | 178 | 161.6 | 6.7 | 113 | Y367 M370 E372 | Y367-R374 HydrophobicContact CD2-CB 3.83Å; Y367-R374 HydrophobicContact CE2-CB 3.36Å; Y367-R374 HydrophobicContact CE2-CG 4.48Å; M370-R374 HydrophobicContact CB-CG 4.23Å; M370-R374 PolarHBondContact O-NE 2.88Å; E372-R374 VanDerWaalsContact OE1-CD 3.25Å; E372-R374 WeakPolarHBondContact OE1-CD 3.5Å; E372-R374 WeakPolarHBondContact OE1-CG 3.36Å; E372-R374 IonicContact OE1-CZ 3.35Å; E372-R374 IonicContact OE1-NE 2.67Å; E372-R374 PolarHBondContact OE1-NE 2.9Å; E372-R374 IonicContact OE1-NH1 3.6Å; E372-R374 PolarHBondContact OE2-N 2.54Å |
| 375 | F | 94.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | trans | -145.9 | 149 | 172.8 | 60.2 | -91.6 | 0 | 0 | 0 | 112.2 | M370 Y377 V518 F519 H520 | M370-F375 HydrophobicContact CE-CD1 4.26Å; M370-F375 HydrophobicContact CE-CD2 4.29Å; M370-F375 HydrophobicContact CE-CE1 3.82Å; M370-F375 HydrophobicContact CE-CE2 3.84Å; M370-F375 HydrophobicContact CE-CG 4.48Å; M370-F375 HydrophobicContact CE-CZ 3.59Å; M370-F375 HydrophobicContact SD-CD1 3.6Å; M370-F375 HydrophobicContact SD-CE1 3.5Å; M370-F375 WeakPolarHBondContact SD-CE1 3.17Å; M370-F375 HydrophobicContact SD-CE2 4.44Å; M370-F375 HydrophobicContact SD-CG 4.13Å; M370-F375 HydrophobicContact SD-CZ 3.95Å; F375-Y377 WeakPolarHBondContact CD2-O 3.24Å; F375-V518 HydrophobicContact CB-CG1 4.46Å; F375-F519 VanDerWaalsContact CB-O 3.29Å; F375-F519 WeakPolarHBondContact CB-O 3.35Å; F375-H520 AromaticContact CD1-CD2 3.86Å; F375-H520 AromaticContact CE1-CD2 3.5Å; F375-H520 HydrophobicContact CG-CB 4.5Å; F375-H520 AromaticContact CZ-CD2 3.7Å | ||
| 376 | I | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -84.8 | -43.5 | 177.6 | -60.7 | 173.1 | 0 | 0 | 0 | 109.3 | L363 L364 R366 Y367 H516 V518 | L363-I376 HydrophobicContact CB-CG2 4.02Å; L363-I376 HydrophobicContact CD1-CG2 4.42Å; L364-I376 HydrophobicContact CD2-CD1 4.25Å; R366-I376 PolarHBondContact NH2-O 3.25Å; Y367-I376 HydrophobicContact CD2-CG1 3.68Å; Y367-I376 HydrophobicContact CE2-CG1 4.06Å; Y367-I376 HydrophobicContact CG-CG1 4.05Å; I376-H516 HydrophobicContact CD1-CB 4.03Å; I376-V518 WeakPolarHBondContact CB-O 3.17Å; I376-V518 HydrophobicContact CD1-CB 4.27Å; I376-V518 HydrophobicContact CD1-CG2 4.32Å; I376-V518 HydrophobicContact CG1-CB 4.2Å; I376-V518 PolarHBondContact N-O 3.31Å |
| 377 | Y | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -111.7 | 119.5 | -175.9 | -48.2 | -66.6 | 0 | 0 | 0 | 112.3 | L363 F375 F431 H516 V518 F519 H520 | L363-Y377 HydrophobicContact CD1-CD1 4.29Å; L363-Y377 HydrophobicContact CD1-CE1 3.83Å; F375-Y377 WeakPolarHBondContact CD2-O 3.24Å; Y377-F431 AromaticContact CD1-CD1 3.97Å; Y377-F431 HydrophobicContact CD1-CD1 3.97Å; Y377-F431 AromaticContact CD1-CD2 3.89Å; Y377-F431 HydrophobicContact CD1-CD2 3.89Å; Y377-F431 AromaticContact CD1-CE1 3.9Å; Y377-F431 HydrophobicContact CD1-CE1 3.9Å; Y377-F431 AromaticContact CD1-CE2 3.82Å; Y377-F431 HydrophobicContact CD1-CE2 3.82Å; Y377-F431 AromaticContact CD1-CG 3.97Å; Y377-F431 HydrophobicContact CD1-CG 3.97Å; Y377-F431 AromaticContact CD1-CZ 3.83Å; Y377-F431 HydrophobicContact CD1-CZ 3.83Å; Y377-F431 HydrophobicContact CE1-CD1 4.1Å; Y377-F431 HydrophobicContact CE1-CE1 4.03Å; Y377-F431 HydrophobicContact CE1-CG 4.49Å; Y377-F431 HydrophobicContact CE1-CZ 4.36Å; Y377-F431 HydrophobicContact CG-CD2 4.43Å; Y377-H516 WeakPolarHBondContact CE2-O 3.48Å; Y377-H516 PolarHBondContact OH-O 2.79Å; Y377-V518 WeakPolarHBondContact CD2-O 3.38Å; Y377-V518 PolarHBondContact N-O 2.94Å; Y377-F519 AromaticContact CD2-CD1 3.86Å; Y377-F519 HydrophobicContact CD2-CD1 3.86Å; Y377-F519 HydrophobicContact CD2-CD2 4.33Å; Y377-F519 AromaticContact CD2-CE1 3.47Å; Y377-F519 HydrophobicContact CD2-CE1 3.47Å; Y377-F519 VanDerWaalsContact CD2-CE1 3.47Å; Y377-F519 AromaticContact CD2-CE2 3.99Å; Y377-F519 HydrophobicContact CD2-CE2 3.99Å; Y377-F519 HydrophobicContact CD2-CG 4.24Å; Y377-F519 AromaticContact CD2-CZ 3.5Å; Y377-F519 HydrophobicContact CD2-CZ 3.5Å; Y377-F519 HydrophobicContact CE2-CE1 4.35Å; Y377-F519 HydrophobicContact CE2-CE2 4.4Å; Y377-F519 AromaticContact CE2-CZ 3.98Å; Y377-F519 HydrophobicContact CE2-CZ 3.98Å; Y377-F519 HydrophobicContact CG-CD1 4.1Å; Y377-F519 AromaticContact CG-CE1 3.77Å; Y377-F519 HydrophobicContact CG-CE1 3.77Å; Y377-F519 HydrophobicContact CG-CZ 4.23Å; Y377-F519 CarbonylContact O-C 3.55Å; Y377-H520 PolarHBondContact O-N 3.3Å |
| 378 | G | 89.9 | Confident | 92.8 | Very high | 31 Ų | 31 | 37 Ų | 37 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.4 | -14.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 379 | S | 90.6 | Very high | 93 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -116.4 | 135.7 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | T429 | S379-T429 WeakPolarHBondContact CB-O 3.2Å; S379-T429 PolarHBondContact OG-O 2.83Å |
| 380 | H | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -85.3 | 150.6 | -179.1 | -170.6 | -104.8 | 0 | 0 | 0 | 111.3 | S382 Y386 F519 T523 F549 Q551 T552 | H380-S382 PolarHBondContact ND1-N 3.16Å; H380-S382 VanDerWaalsContact ND1-N 3.18Å; H380-S382 PolarHBondContact ND1-O 2.91Å; H380-S382 PolarHBondContact O-N 3.06Å; H380-Y386 WeakPolarHBondContact O-CE2 3.48Å; H380-F519 AromaticContact CD2-CD1 3.96Å; H380-T523 HydrophobicContact CB-CG2 4.3Å; H380-F549 WeakPolarHBondContact CB-O 3.44Å; H380-Q551 PolarHBondContact CE1-O 2.95Å; H380-T552 PolarHBondContact NE2-OG1 2.99Å | ||
| 381 | Y | 95.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -69.6 | -12.1 | -178.5 | 50.5 | -101.9 | 0 | 0 | 0 | 114.9 | V324 F431 K432 E433 V502 F519 P553 | V324-Y381 HydrophobicContact CB-CE2 4.5Å; V324-Y381 HydrophobicContact CG1-CD2 3.83Å; V324-Y381 HydrophobicContact CG1-CE2 4.01Å; V324-Y381 HydrophobicContact CG2-CD2 4.29Å; V324-Y381 HydrophobicContact CG2-CE2 4.1Å; Y381-F431 WeakPolarHBondContact CA-O 3.44Å; Y381-F431 VanDerWaalsContact CB-O 3.22Å; Y381-F431 WeakPolarHBondContact CB-O 3.42Å; Y381-K432 WeakPolarHBondContact O-CA 3.39Å; Y381-E433 HydrophobicContact CD2-CG 4.38Å; Y381-E433 HydrophobicContact CG-CG 4.24Å; Y381-E433 PolarHBondContact O-N 2.78Å; Y381-V502 HydrophobicContact CE2-CG1 4.49Å; Y381-F519 HydrophobicContact CD1-CD1 4.41Å; Y381-F519 AromaticContact CD1-CE1 3.61Å; Y381-F519 HydrophobicContact CD1-CE1 3.61Å; Y381-F519 AromaticContact CD1-CE2 3.83Å; Y381-F519 HydrophobicContact CD1-CE2 3.83Å; Y381-F519 AromaticContact CD1-CZ 3.3Å; Y381-F519 HydrophobicContact CD1-CZ 3.3Å; Y381-F519 HydrophobicContact CE1-CD2 4.2Å; Y381-F519 HydrophobicContact CE1-CE1 4.14Å; Y381-F519 AromaticContact CE1-CE2 3.62Å; Y381-F519 HydrophobicContact CE1-CE2 3.62Å; Y381-F519 AromaticContact CE1-CZ 3.62Å; Y381-F519 HydrophobicContact CE1-CZ 3.62Å; Y381-P553 WeakPolarHBondContact OH-CD 3.34Å |
| 382 | S | 95.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -135.8 | 119 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | V324 H380 G550 | V324-S382 VanDerWaalsContact CG2-CB 3.45Å; H380-S382 PolarHBondContact ND1-N 3.16Å; H380-S382 VanDerWaalsContact ND1-N 3.18Å; H380-S382 PolarHBondContact ND1-O 2.91Å; H380-S382 PolarHBondContact O-N 3.06Å; S382-G550 WeakPolarHBondContact O-CA 3.38Å |
| 383 | S | 94.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 8% | 0.077 | 12% | 0.117 | C | C | . | . | trans | -144 | 158.2 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 109.4 | G385 Y386 V387 | S383-G385 PolarHBondContact O-N 3.34Å; S383-Y386 PolarHBondContact O-N 2.67Å; S383-Y386 WeakPolarHBondContact OG-CD2 3.04Å; S383-Y386 VanDerWaalsContact OG-CG 3.26Å; S383-Y386 PolarHBondContact OG-N 2.77Å; S383-V387 WeakPolarHBondContact O-CG2 3.45Å; S383-V387 PolarHBondContact O-N 3.24Å | ||
| 384 | P | 93.3 | Very high | 94 | Very high | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.4 | -38.1 | 174.6 | -24.1 | 32.4 | 0 | 0 | 0 | 112.6 | L196 L319 V387 L388 L402 L547 E548 | L196-P384 HydrophobicContact CD2-CB 4.05Å; L319-P384 HydrophobicContact CB-CB 3.91Å; L319-P384 HydrophobicContact CB-CG 4.21Å; P384-V387 PolarHBondContact O-N 3.12Å; P384-L388 WeakPolarHBondContact O-CB 3.29Å; P384-L388 WeakPolarHBondContact O-CG 3.4Å; P384-L388 PolarHBondContact O-N 2.86Å; P384-L402 HydrophobicContact CB-CD1 4.46Å; P384-L547 VanDerWaalsContact CG-O 3.28Å; P384-L547 WeakPolarHBondContact CG-O 3.39Å; P384-E548 WeakPolarHBondContact CD-O 3.28Å |
| 385 | G | 93.4 | Very high | 94 | Very high | 26 Ų | 26 | 13.8 Ų | 13.8 | 27% | 0.268 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S383 F389 | S383-G385 PolarHBondContact O-N 3.34Å; G385-F389 VanDerWaalsContact O-CB 3.23Å; G385-F389 WeakPolarHBondContact O-CB 3.12Å; G385-F389 PolarHBondContact O-N 3.37Å |
| 386 | Y | 94.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 12.4 Ų | 12.4 | 18% | 0.18 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.3 | -38.4 | 178.6 | -65.2 | -19.7 | 0 | 0 | 0 | 113.1 | H380 S383 F389 Y390 T429 K432 | H380-Y386 WeakPolarHBondContact O-CE2 3.48Å; S383-Y386 PolarHBondContact O-N 2.67Å; S383-Y386 WeakPolarHBondContact OG-CD2 3.04Å; S383-Y386 VanDerWaalsContact OG-CG 3.26Å; S383-Y386 PolarHBondContact OG-N 2.77Å; Y386-F389 WeakPolarHBondContact O-CB 3.42Å; Y386-F389 PolarHBondContact O-N 2.87Å; Y386-Y390 WeakPolarHBondContact O-CD2 3.29Å; Y386-Y390 PolarHBondContact O-N 2.9Å; Y386-T429 PolarHBondContact OH-O 3.21Å; Y386-T429 VanDerWaalsContact OH-O 3.04Å; Y386-K432 HydrophobicContact CD1-CB 4.35Å; Y386-K432 HydrophobicContact CD1-CD 4.27Å; Y386-K432 HydrophobicContact CD2-CB 3.36Å; Y386-K432 HydrophobicContact CE2-CB 3.59Å; Y386-K432 HydrophobicContact CG-CB 3.76Å; Y386-K432 HydrophobicContact CG-CD 4.34Å |
| 387 | V | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 175 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | L319 Y322 S383 P384 F389 Y390 L391 I435 | L319-V387 HydrophobicContact CD2-CG1 4.19Å; Y322-V387 HydrophobicContact CD1-CG1 4.38Å; Y322-V387 HydrophobicContact CD1-CG2 4.03Å; Y322-V387 HydrophobicContact CD2-CB 4.21Å; Y322-V387 HydrophobicContact CD2-CG1 3.38Å; Y322-V387 HydrophobicContact CD2-CG2 3.82Å; Y322-V387 HydrophobicContact CE1-CG1 4.4Å; Y322-V387 HydrophobicContact CE2-CB 4.37Å; Y322-V387 HydrophobicContact CE2-CG1 3.16Å; Y322-V387 HydrophobicContact CE2-CG2 4.34Å; Y322-V387 HydrophobicContact CG-CB 4.42Å; Y322-V387 HydrophobicContact CG-CG1 3.95Å; Y322-V387 HydrophobicContact CG-CG2 3.57Å; S383-V387 WeakPolarHBondContact O-CG2 3.45Å; S383-V387 PolarHBondContact O-N 3.24Å; P384-V387 PolarHBondContact O-N 3.12Å; V387-F389 VanDerWaalsContact C-N 3.3Å; V387-F389 PolarHBondContact O-N 3.41Å; V387-Y390 PolarHBondContact O-N 2.78Å; V387-Y390 VanDerWaalsContact O-N 3.15Å; V387-L391 HydrophobicContact CG1-CD1 3.83Å; V387-L391 WeakPolarHBondContact O-CG 3.25Å; V387-L391 PolarHBondContact O-N 3Å; V387-I435 HydrophobicContact CG2-CG2 4.28Å |
| 388 | L | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.6 | -29.1 | 179.7 | -69.9 | 176.6 | 0 | 0 | 0 | 112.6 | L196 L319 P384 Y390 L391 V392 A395 H398 M399 L402 | L196-L388 HydrophobicContact CD1-CD1 3.9Å; L319-L388 HydrophobicContact CD1-CD1 3.93Å; L319-L388 HydrophobicContact CD1-CD2 3.99Å; L319-L388 HydrophobicContact CD1-CG 3.89Å; P384-L388 WeakPolarHBondContact O-CB 3.29Å; P384-L388 WeakPolarHBondContact O-CG 3.4Å; P384-L388 PolarHBondContact O-N 2.86Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.49Å; L388-L391 CarbonylContact O-C 3.59Å; L388-L391 PolarHBondContact O-N 2.57Å; L388-V392 WeakPolarHBondContact O-CA 3.26Å; L388-V392 WeakPolarHBondContact O-CB 3.49Å; L388-V392 PolarHBondContact O-N 2.86Å; L388-A395 HydrophobicContact CD2-CB 4.18Å; L388-H398 HydrophobicContact CD1-CB 4Å; L388-H398 HydrophobicContact CD2-CB 3.52Å; L388-H398 HydrophobicContact CG-CB 4.43Å; L388-M399 HydrophobicContact CB-CE 3.88Å; L388-M399 HydrophobicContact CB-SD 4.34Å; L388-M399 WeakPolarHBondContact O-CE 3.48Å; L388-L402 HydrophobicContact CD1-CB 3.98Å; L388-L402 HydrophobicContact CD1-CD2 3.88Å; L388-L402 HydrophobicContact CD1-CG 4.48Å |
| 389 | F | 95.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 14.4 Ų | 14.4 | 15% | 0.145 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.3 | -46.6 | 169.3 | 165 | -89.4 | 0 | 0 | 0 | 110.8 | G385 Y386 V387 R412 F414 T420 | G385-F389 VanDerWaalsContact O-CB 3.23Å; G385-F389 WeakPolarHBondContact O-CB 3.12Å; G385-F389 PolarHBondContact O-N 3.37Å; Y386-F389 WeakPolarHBondContact O-CB 3.42Å; Y386-F389 PolarHBondContact O-N 2.87Å; V387-F389 VanDerWaalsContact C-N 3.3Å; V387-F389 PolarHBondContact O-N 3.41Å; F389-R412 VanDerWaalsContact CE2-O 3.25Å; F389-R412 WeakPolarHBondContact CE2-O 3.34Å; F389-F414 HydrophobicContact CD1-CB 3.86Å; F389-F414 HydrophobicContact CD1-CD2 4.38Å; F389-F414 HydrophobicContact CD1-CG 4.22Å; F389-F414 HydrophobicContact CD2-CB 3.92Å; F389-F414 HydrophobicContact CE1-CB 3.59Å; F389-F414 AromaticContact CE1-CD2 3.51Å; F389-F414 HydrophobicContact CE1-CD2 3.51Å; F389-F414 HydrophobicContact CE1-CE2 4.41Å; F389-F414 AromaticContact CE1-CG 3.75Å; F389-F414 HydrophobicContact CE1-CG 3.75Å; F389-F414 VanDerWaalsContact CE2-CA 3.42Å; F389-F414 HydrophobicContact CE2-CB 3.66Å; F389-F414 HydrophobicContact CG-CB 4.02Å; F389-F414 VanDerWaalsContact CZ-CA 3.43Å; F389-F414 HydrophobicContact CZ-CB 3.49Å; F389-F414 VanDerWaalsContact CZ-CB 3.49Å; F389-F414 AromaticContact CZ-CD2 3.7Å; F389-F414 HydrophobicContact CZ-CD2 3.7Å; F389-F414 AromaticContact CZ-CG 3.98Å; F389-F414 HydrophobicContact CZ-CG 3.98Å; F389-F414 WeakPolarHBondContact O-CB 3.35Å; F389-T420 HydrophobicContact CE1-CG2 3.91Å; F389-T420 HydrophobicContact CZ-CG2 4.13Å |
| 390 | Y | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | 175.4 | -61.6 | -53 | 0 | 0 | 0 | 112.9 | Y386 V387 L388 F414 T420 K432 E433 I435 F438 | Y386-Y390 WeakPolarHBondContact O-CD2 3.29Å; Y386-Y390 PolarHBondContact O-N 2.9Å; V387-Y390 PolarHBondContact O-N 2.78Å; V387-Y390 VanDerWaalsContact O-N 3.15Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.49Å; Y390-F414 HydrophobicContact CD1-CD1 4.26Å; Y390-F414 HydrophobicContact CD1-CD2 4.29Å; Y390-F414 HydrophobicContact CD1-CE1 4.13Å; Y390-F414 HydrophobicContact CD1-CE2 4.19Å; Y390-F414 HydrophobicContact CD1-CG 4.34Å; Y390-F414 HydrophobicContact CD1-CZ 4.1Å; Y390-F414 HydrophobicContact CE1-CE2 4.42Å; Y390-T420 HydrophobicContact CE1-CG2 4.24Å; Y390-K432 WeakPolarHBondContact OH-CG 3.36Å; Y390-K432 PolarHBondContact OH-NZ 2.7Å; Y390-E433 PolarHBondContact OH-O 2.95Å; Y390-I435 HydrophobicContact CD2-CD1 4.02Å; Y390-I435 HydrophobicContact CD2-CG1 4.12Å; Y390-I435 HydrophobicContact CD2-CG2 4.12Å; Y390-I435 HydrophobicContact CG-CD1 4.24Å; Y390-F438 AromaticContact CD1-CE2 3.73Å; Y390-F438 HydrophobicContact CD1-CE2 3.73Å; Y390-F438 AromaticContact CD1-CZ 3.66Å; Y390-F438 HydrophobicContact CD1-CZ 3.66Å; Y390-F438 HydrophobicContact CD2-CE2 4.2Å; Y390-F438 HydrophobicContact CE1-CE2 4.05Å; Y390-F438 AromaticContact CE1-CZ 3.87Å; Y390-F438 HydrophobicContact CE1-CZ 3.87Å; Y390-F438 HydrophobicContact CE2-CE2 4.49Å; Y390-F438 AromaticContact CG-CE2 3.81Å; Y390-F438 HydrophobicContact CG-CE2 3.81Å; Y390-F438 HydrophobicContact CG-CZ 4.23Å |
| 391 | L | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -93.3 | 3.4 | -170 | -62.6 | -178.9 | 0 | 0 | 0 | 115.2 | M1 F3 Y322 V387 L388 R393 V394 A395 I435 E437 F445 | M1-L391 HydrophobicContact SD-CD2 4.47Å; F3-L391 HydrophobicContact CD1-CD1 4.38Å; Y322-L391 HydrophobicContact CE2-CD1 4.24Å; Y322-L391 WeakPolarHBondContact OH-CD1 3.43Å; V387-L391 HydrophobicContact CG1-CD1 3.83Å; V387-L391 WeakPolarHBondContact O-CG 3.25Å; V387-L391 PolarHBondContact O-N 3Å; L388-L391 CarbonylContact O-C 3.59Å; L388-L391 PolarHBondContact O-N 2.57Å; L391-R393 PolarHBondContact O-N 3.41Å; L391-V394 HydrophobicContact CB-CG2 4.03Å; L391-V394 HydrophobicContact CD2-CG2 3.98Å; L391-V394 WeakPolarHBondContact O-CG2 3.25Å; L391-V394 PolarHBondContact O-N 2.77Å; L391-A395 HydrophobicContact CB-CB 4.21Å; L391-A395 PolarHBondContact O-N 2.84Å; L391-I435 HydrophobicContact CD1-CD1 4.46Å; L391-I435 HydrophobicContact CD2-CD1 3.84Å; L391-I435 HydrophobicContact CG-CD1 3.98Å; L391-E437 HydrophobicContact CD2-CG 4.25Å; L391-F445 HydrophobicContact CD2-CB 3.97Å; L391-F445 HydrophobicContact CD2-CG 4.38Å |
| 392 | V | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.2 | -173 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | L388 P396 M399 F407 M413 L454 | L388-V392 WeakPolarHBondContact O-CA 3.26Å; L388-V392 WeakPolarHBondContact O-CB 3.49Å; L388-V392 PolarHBondContact O-N 2.86Å; V392-P396 VanDerWaalsContact O-CA 3.31Å; V392-P396 WeakPolarHBondContact O-CA 3.38Å; V392-P396 WeakPolarHBondContact O-CB 3.45Å; V392-M399 HydrophobicContact CB-CE 3.96Å; V392-M399 HydrophobicContact CG2-CB 3.9Å; V392-M399 HydrophobicContact CG2-CE 3.99Å; V392-M399 HydrophobicContact CG2-CG 3.78Å; V392-F407 HydrophobicContact CG2-CD1 4.24Å; V392-F407 HydrophobicContact CG2-CE1 4.33Å; V392-M413 HydrophobicContact CB-CE 4.26Å; V392-M413 HydrophobicContact CG1-CE 3.93Å; V392-M413 HydrophobicContact CG2-CE 3.6Å; V392-L454 HydrophobicContact CG2-CD2 4.4Å |
| 393 | R | 93.5 | Very high | 93 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22 | 180 | -70.4 | 169.8 | -178.6 | 77.3 | 1.3 | 114.1 | L391 F414 F445 L454 G464 V466 | L391-R393 PolarHBondContact O-N 3.41Å; R393-F414 VanDerWaalsContact CZ-O 3.23Å; R393-F414 PolarHBondContact NH1-O 2.61Å; R393-F414 PolarHBondContact NH2-O 3.18Å; R393-F445 WeakPolarHBondContact CD-O 3.44Å; R393-L454 HydrophobicContact CG-CD1 4.31Å; R393-G464 VanDerWaalsContact CZ-O 3.23Å; R393-G464 PolarHBondContact NE-O 3.46Å; R393-G464 PolarHBondContact NH2-O 2.98Å; R393-V466 VanDerWaalsContact CZ-CG2 3.45Å |
| 394 | V | 92.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 22% | 0.218 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -24.5 | 179.9 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | M1 F4 L391 P396 S444 F445 | M1-V394 HydrophobicContact CE-CB 4.22Å; M1-V394 HydrophobicContact CE-CG1 3.75Å; M1-V394 HydrophobicContact CE-CG2 4Å; M1-V394 HydrophobicContact SD-CB 4.46Å; M1-V394 HydrophobicContact SD-CG2 3.9Å; F4-V394 HydrophobicContact CE2-CG2 4.49Å; L391-V394 HydrophobicContact CB-CG2 4.03Å; L391-V394 HydrophobicContact CD2-CG2 3.98Å; L391-V394 WeakPolarHBondContact O-CG2 3.25Å; L391-V394 PolarHBondContact O-N 2.77Å; V394-P396 WeakPolarHBondContact O-CD 3.47Å; V394-S444 WeakPolarHBondContact CG1-O 3.45Å; V394-F445 HydrophobicContact CG1-CB 4.29Å; V394-F445 HydrophobicContact CG2-CB 3.89Å |
| 395 | A | 91.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | trans | -120.3 | 46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F4 L388 L391 E397 H398 M399 | F4-A395 HydrophobicContact CE2-CB 3.91Å; F4-A395 HydrophobicContact CZ-CB 3.56Å; L388-A395 HydrophobicContact CD2-CB 4.18Å; L391-A395 HydrophobicContact CB-CB 4.21Å; L391-A395 PolarHBondContact O-N 2.84Å; A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 3.09Å; A395-H398 HydrophobicContact CB-CB 4.31Å; A395-H398 WeakPolarHBondContact O-CB 3.33Å; A395-H398 PolarHBondContact O-N 2.88Å; A395-H398 VanDerWaalsContact O-N 3.09Å; A395-M399 PolarHBondContact O-N 3.14Å | ||
| 396 | P | 92.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -34.6 | -171.6 | 24.2 | -34.9 | 0 | 0 | 0 | 113.5 | I111 V392 V394 H398 M399 L400 F407 L450 L452 | I111-P396 HydrophobicContact CD1-CG 4.08Å; I111-P396 HydrophobicContact CG2-CB 3.86Å; I111-P396 HydrophobicContact CG2-CG 3.89Å; V392-P396 VanDerWaalsContact O-CA 3.31Å; V392-P396 WeakPolarHBondContact O-CA 3.38Å; V392-P396 WeakPolarHBondContact O-CB 3.45Å; V394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-H398 VanDerWaalsContact C-N 3.31Å; P396-H398 PolarHBondContact O-N 2.91Å; P396-M399 WeakPolarHBondContact O-CB 3.4Å; P396-M399 PolarHBondContact O-N 3.11Å; P396-L400 WeakPolarHBondContact O-CG 3.01Å; P396-L400 PolarHBondContact O-N 3.34Å; P396-F407 HydrophobicContact CB-CE1 4.12Å; P396-F407 HydrophobicContact CB-CZ 4.18Å; P396-L450 HydrophobicContact CG-CD1 4.06Å; P396-L452 HydrophobicContact CB-CD1 3.77Å; P396-L452 HydrophobicContact CB-CD2 4.09Å; P396-L452 HydrophobicContact CG-CD1 4.12Å; P396-L452 HydrophobicContact CG-CD2 4.19Å |
| 397 | E | 91.5 | Very high | 92.3 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 21% | 0.21 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -33.1 | 178.1 | -62.4 | -174.5 | 72.5 | 0 | 0 | 112.9 | L17 K106 I111 A395 L400 C401 | L17-E397 HydrophobicContact CD1-CB 3.96Å; K106-E397 WeakPolarHBondContact CE-OE1 3.35Å; K106-E397 IonicContact NZ-OE1 2.73Å; K106-E397 PolarHBondContact NZ-OE1 2.75Å; K106-E397 IonicContact NZ-OE2 3.68Å; I111-E397 HydrophobicContact CD1-CG 4.07Å; I111-E397 HydrophobicContact CG1-CG 4.25Å; I111-E397 HydrophobicContact CG2-CG 3.88Å; A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 3.09Å; E397-L400 PolarHBondContact O-N 3.49Å; E397-C401 WeakPolarHBondContact O-CB 3.34Å; E397-C401 PolarHBondContact O-N 3.43Å |
| 398 | H | 92.5 | Very high | 92 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.5 | -38.5 | 175.7 | -62.3 | 78 | 0 | 0 | 0 | 110.5 | F4 L196 L388 A395 P396 C401 L402 | F4-H398 AromaticContact CE1-CE1 3.67Å; F4-H398 AromaticContact CZ-CE1 3.98Å; L196-H398 HydrophobicContact CD1-CB 4.21Å; L196-H398 VanDerWaalsContact CD1-O 3.31Å; L196-H398 WeakPolarHBondContact CD1-O 3.28Å; L388-H398 HydrophobicContact CD1-CB 4Å; L388-H398 HydrophobicContact CD2-CB 3.52Å; L388-H398 HydrophobicContact CG-CB 4.43Å; A395-H398 HydrophobicContact CB-CB 4.31Å; A395-H398 WeakPolarHBondContact O-CB 3.33Å; A395-H398 PolarHBondContact O-N 2.88Å; A395-H398 VanDerWaalsContact O-N 3.09Å; P396-H398 VanDerWaalsContact C-N 3.31Å; P396-H398 PolarHBondContact O-N 2.91Å; H398-C401 WeakPolarHBondContact O-CB 3.05Å; H398-C401 PolarHBondContact O-N 2.71Å; H398-L402 PolarHBondContact O-N 2.89Å |
| 399 | M | 92.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 171.9 | -178.6 | 63.7 | 83.9 | 0 | 0 | 111.2 | L388 V392 A395 P396 C401 L402 Q403 F407 | L388-M399 HydrophobicContact CB-CE 3.88Å; L388-M399 HydrophobicContact CB-SD 4.34Å; L388-M399 WeakPolarHBondContact O-CE 3.48Å; V392-M399 HydrophobicContact CB-CE 3.96Å; V392-M399 HydrophobicContact CG2-CB 3.9Å; V392-M399 HydrophobicContact CG2-CE 3.99Å; V392-M399 HydrophobicContact CG2-CG 3.78Å; A395-M399 PolarHBondContact O-N 3.14Å; P396-M399 WeakPolarHBondContact O-CB 3.4Å; P396-M399 PolarHBondContact O-N 3.11Å; M399-C401 VanDerWaalsContact C-N 3.33Å; M399-C401 PolarHBondContact O-N 3.47Å; M399-L402 PolarHBondContact O-N 2.8Å; M399-Q403 WeakPolarHBondContact O-CB 3.43Å; M399-Q403 PolarHBondContact O-N 3.18Å; M399-Q403 HydrophobicContact SD-CG 3.83Å; M399-F407 HydrophobicContact CG-CD1 4Å |
| 400 | L | 92.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 175.6 | -68.9 | 172.7 | 0 | 0 | 0 | 111.2 | I111 A112 Y114 P396 E397 Q403 N404 G405 F407 | I111-L400 HydrophobicContact CG2-CD1 3.87Å; A112-L400 WeakPolarHBondContact O-CD1 3.43Å; Y114-L400 HydrophobicContact CE1-CB 4.21Å; Y114-L400 HydrophobicContact CE1-CD1 4.11Å; P396-L400 WeakPolarHBondContact O-CG 3.01Å; P396-L400 PolarHBondContact O-N 3.34Å; E397-L400 PolarHBondContact O-N 3.49Å; L400-Q403 CarbonylContact O-C 3.56Å; L400-Q403 PolarHBondContact O-N 2.88Å; L400-N404 PolarHBondContact O-N 3Å; L400-G405 WeakPolarHBondContact O-CA 3.41Å; L400-G405 PolarHBondContact O-N 3.06Å; L400-F407 HydrophobicContact CD1-CE1 4.46Å; L400-F407 HydrophobicContact CD1-CZ 4.34Å; L400-F407 HydrophobicContact CD2-CD1 3.97Å; L400-F407 HydrophobicContact CD2-CE1 3.82Å; L400-F407 HydrophobicContact CD2-CE2 4.42Å; L400-F407 HydrophobicContact CD2-CG 4.33Å; L400-F407 HydrophobicContact CD2-CZ 4.05Å; L400-F407 HydrophobicContact CG-CD1 4.37Å; L400-F407 HydrophobicContact CG-CE1 3.83Å; L400-F407 HydrophobicContact CG-CZ 4.17Å |
| 401 | C | 91.6 | Very high | 91.1 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -52 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | L17 L196 E397 H398 M399 Q403 N404 | L17-C401 HydrophobicContact CB-CB 4.27Å; L17-C401 HydrophobicContact CD2-CB 4.41Å; L17-C401 WeakPolarHBondContact O-CB 3.39Å; L17-C401 PolarHBondContact O-SG 2.98Å; L17-C401 VanDerWaalsContact O-SG 3.39Å; L196-C401 HydrophobicContact CD1-CB 4.06Å; E397-C401 WeakPolarHBondContact O-CB 3.34Å; E397-C401 PolarHBondContact O-N 3.43Å; H398-C401 WeakPolarHBondContact O-CB 3.05Å; H398-C401 PolarHBondContact O-N 2.71Å; M399-C401 VanDerWaalsContact C-N 3.33Å; M399-C401 PolarHBondContact O-N 3.47Å; C401-Q403 VanDerWaalsContact C-N 3.32Å; C401-Q403 PolarHBondContact O-N 2.94Å; C401-N404 PolarHBondContact O-N 3.01Å |
| 402 | L | 89.6 | Confident | 90.9 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | -177.8 | -172.7 | 71.7 | 0 | 0 | 0 | 112.7 | L196 P384 L388 H398 M399 | L196-L402 HydrophobicContact CD1-CB 4.09Å; L196-L402 HydrophobicContact CD2-CD1 4.08Å; P384-L402 HydrophobicContact CB-CD1 4.46Å; L388-L402 HydrophobicContact CD1-CB 3.98Å; L388-L402 HydrophobicContact CD1-CD2 3.88Å; L388-L402 HydrophobicContact CD1-CG 4.48Å; H398-L402 PolarHBondContact O-N 2.89Å; M399-L402 PolarHBondContact O-N 2.8Å |
| 403 | Q | 89.2 | Confident | 90.8 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 27.4 | -175.8 | -68.1 | -70.3 | -18.5 | 0 | 0 | 112.7 | M399 L400 C401 G405 R406 | M399-Q403 WeakPolarHBondContact O-CB 3.43Å; M399-Q403 PolarHBondContact O-N 3.18Å; M399-Q403 HydrophobicContact SD-CG 3.83Å; L400-Q403 CarbonylContact O-C 3.56Å; L400-Q403 PolarHBondContact O-N 2.88Å; C401-Q403 VanDerWaalsContact C-N 3.32Å; C401-Q403 PolarHBondContact O-N 2.94Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; Q403-G405 PolarHBondContact O-N 3.41Å; Q403-R406 WeakPolarHBondContact CB-O 3.38Å; Q403-R406 PolarHBondContact O-N 3.34Å |
| 404 | N | 87.6 | Confident | 90.9 | Very high | 129 Ų | 129 | 44.2 Ų | 44.2 | 69% | 0.69 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 45.7 | 174.3 | -63.7 | -59.6 | 0 | 0 | 0 | 113.9 | L400 C401 | L400-N404 PolarHBondContact O-N 3Å; C401-N404 PolarHBondContact O-N 3.01Å |
| 405 | G | 89.4 | Confident | 91 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 14.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P113 Y114 L400 Q403 | P113-G405 CarbonylContact C-O 3.56Å; P113-G405 WeakPolarHBondContact CA-O 3.37Å; Y114-G405 VanDerWaalsContact CE2-CA 3.42Å; Y114-G405 PolarHBondContact N-O 3.45Å; L400-G405 WeakPolarHBondContact O-CA 3.41Å; L400-G405 PolarHBondContact O-N 3.06Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; Q403-G405 PolarHBondContact O-N 3.41Å |
| 406 | R | 91.2 | Very high | 91.2 | Very high | 155 Ų | 155 | 43.7 Ų | 43.7 | 59% | 0.585 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -129.8 | 156.8 | 179 | -63.2 | -178.1 | -179.9 | 176.8 | -0.5 | 111.1 | Q403 | Q403-R406 WeakPolarHBondContact CB-O 3.38Å; Q403-R406 PolarHBondContact O-N 3.34Å |
| 407 | F | 92.1 | Very high | 91.4 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 11% | 0.114 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 158.1 | 162.1 | -63.4 | -53.9 | 0 | 0 | 0 | 109.7 | P113 V392 P396 M399 L400 M413 D453 L454 | P113-F407 HydrophobicContact CG-CD2 3.8Å; P113-F407 HydrophobicContact CG-CE2 4.14Å; V392-F407 HydrophobicContact CG2-CD1 4.24Å; V392-F407 HydrophobicContact CG2-CE1 4.33Å; P396-F407 HydrophobicContact CB-CE1 4.12Å; P396-F407 HydrophobicContact CB-CZ 4.18Å; M399-F407 HydrophobicContact CG-CD1 4Å; L400-F407 HydrophobicContact CD1-CE1 4.46Å; L400-F407 HydrophobicContact CD1-CZ 4.34Å; L400-F407 HydrophobicContact CD2-CD1 3.97Å; L400-F407 HydrophobicContact CD2-CE1 3.82Å; L400-F407 HydrophobicContact CD2-CE2 4.42Å; L400-F407 HydrophobicContact CD2-CG 4.33Å; L400-F407 HydrophobicContact CD2-CZ 4.05Å; L400-F407 HydrophobicContact CG-CD1 4.37Å; L400-F407 HydrophobicContact CG-CE1 3.83Å; L400-F407 HydrophobicContact CG-CZ 4.17Å; F407-M413 HydrophobicContact CB-CE 4.48Å; F407-D453 WeakPolarHBondContact CD2-O 3.48Å; F407-L454 HydrophobicContact CD2-CD2 4.36Å; F407-L454 HydrophobicContact CE2-CD2 4.39Å; F407-L454 HydrophobicContact CG-CD2 4.47Å |
| 408 | D | 89.6 | Confident | 91.7 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 165.1 | 173.6 | -161.2 | -0.7 | 0 | 0 | 0 | 110.5 | A410 R412 M413 | D408-A410 PolarHBondContact O-N 3.09Å; D408-R412 IonicContact OD1-CZ 3.78Å; D408-R412 IonicContact OD1-NE 2.96Å; D408-R412 PolarHBondContact OD1-NE 2.8Å; D408-R412 IonicContact OD1-NH2 3.58Å; D408-R412 PolarHBondContact OD1-NH2 2.93Å; D408-R412 IonicContact OD2-NE 2.64Å; D408-M413 HydrophobicContact CB-CG 4.17Å; D408-M413 HydrophobicContact CB-SD 3.62Å |
| 409 | H | 90 | Very high | 91.8 | Very high | 100 Ų | 100 | 45 Ų | 45 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -56.3 | 133.6 | 175.2 | -165.7 | -83.1 | 0 | 0 | 0 | 110.6 | D411 R412 M413 | H409-D411 VanDerWaalsContact C-N 3.26Å; H409-D411 IonicContact CE1-OD2 3.28Å; H409-D411 PolarHBondContact CE1-OD2 3.46Å; H409-D411 PolarHBondContact ND1-N 3.34Å; H409-D411 IonicContact ND1-OD2 2.9Å; H409-D411 PolarHBondContact ND1-OD2 3.26Å; H409-D411 PolarHBondContact O-N 3.12Å; H409-D411 VanDerWaalsContact O-N 3.09Å; H409-R412 HydrophobicContact CB-CG 4.47Å; H409-R412 WeakPolarHBondContact O-CA 3.36Å; H409-R412 PolarHBondContact O-N 2.74Å; H409-M413 WeakPolarHBondContact O-CG 3.42Å; H409-M413 PolarHBondContact O-N 2.92Å; H409-M413 VanDerWaalsContact O-N 3.17Å |
| 410 | A | 89.3 | Confident | 92 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -52.1 | -38.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D408 R412 M413 R456 K457 V463 | D408-A410 PolarHBondContact O-N 3.09Å; A410-R412 VanDerWaalsContact C-N 3.28Å; A410-R412 PolarHBondContact O-N 2.77Å; A410-M413 PolarHBondContact O-N 2.85Å; A410-R456 VanDerWaalsContact CB-C 3.42Å; A410-R456 WeakPolarHBondContact CB-O 3.4Å; A410-K457 HydrophobicContact CB-CG 4.5Å; A410-V463 HydrophobicContact CB-CG2 3.84Å |
| 411 | D | 87.6 | Confident | 92.2 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -69.3 | -20.3 | 176.6 | -62.5 | -71.1 | 0 | 0 | 0 | 114.6 | H409 K457 Q458 | H409-D411 VanDerWaalsContact C-N 3.26Å; H409-D411 IonicContact CE1-OD2 3.28Å; H409-D411 PolarHBondContact CE1-OD2 3.46Å; H409-D411 PolarHBondContact ND1-N 3.34Å; H409-D411 IonicContact ND1-OD2 2.9Å; H409-D411 PolarHBondContact ND1-OD2 3.26Å; H409-D411 PolarHBondContact O-N 3.12Å; H409-D411 VanDerWaalsContact O-N 3.09Å; D411-K457 WeakPolarHBondContact OD1-CA 3.33Å; D411-K457 VanDerWaalsContact OD1-CB 3.25Å; D411-K457 WeakPolarHBondContact OD1-CB 3.36Å; D411-K457 WeakPolarHBondContact OD1-CE 3.31Å; D411-Q458 PolarHBondContact OD1-N 3.4Å; D411-Q458 WeakPolarHBondContact OD2-CG 3.36Å; D411-Q458 PolarHBondContact OD2-N 3.27Å |
| 412 | R | 89.8 | Confident | 92.4 | Very high | 160 Ų | 160 | 49.8 Ų | 49.8 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -97.3 | -7.7 | 176.4 | -60.4 | -167 | -60.4 | -153.9 | -0.9 | 113.1 | F389 D408 H409 A410 | F389-R412 VanDerWaalsContact CE2-O 3.25Å; F389-R412 WeakPolarHBondContact CE2-O 3.34Å; D408-R412 IonicContact OD1-CZ 3.78Å; D408-R412 IonicContact OD1-NE 2.96Å; D408-R412 PolarHBondContact OD1-NE 2.8Å; D408-R412 IonicContact OD1-NH2 3.58Å; D408-R412 PolarHBondContact OD1-NH2 2.93Å; D408-R412 IonicContact OD2-NE 2.64Å; H409-R412 HydrophobicContact CB-CG 4.47Å; H409-R412 WeakPolarHBondContact O-CA 3.36Å; H409-R412 PolarHBondContact O-N 2.74Å; A410-R412 VanDerWaalsContact C-N 3.28Å; A410-R412 PolarHBondContact O-N 2.77Å |
| 413 | M | 91.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.1 | 154.4 | 178.7 | -70.5 | -76.8 | -72.4 | 0 | 0 | 111.3 | V392 F407 D408 H409 A410 N415 L454 | V392-M413 HydrophobicContact CB-CE 4.26Å; V392-M413 HydrophobicContact CG1-CE 3.93Å; V392-M413 HydrophobicContact CG2-CE 3.6Å; F407-M413 HydrophobicContact CB-CE 4.48Å; D408-M413 HydrophobicContact CB-CG 4.17Å; D408-M413 HydrophobicContact CB-SD 3.62Å; H409-M413 WeakPolarHBondContact O-CG 3.42Å; H409-M413 PolarHBondContact O-N 2.92Å; H409-M413 VanDerWaalsContact O-N 3.17Å; A410-M413 PolarHBondContact O-N 2.85Å; M413-N415 PolarHBondContact O-N 3.45Å; M413-N415 PolarHBondContact O-ND2 2.67Å; M413-L454 HydrophobicContact CE-CB 4.39Å; M413-L454 HydrophobicContact CE-CD2 3.84Å |
| 414 | F | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -67.1 | 104 | 176.1 | -179.4 | -138.5 | 0 | 0 | 0 | 110.4 | F389 Y390 R393 I417 T420 F438 F445 L446 V466 | F389-F414 HydrophobicContact CD1-CB 3.86Å; F389-F414 HydrophobicContact CD1-CD2 4.38Å; F389-F414 HydrophobicContact CD1-CG 4.22Å; F389-F414 HydrophobicContact CD2-CB 3.92Å; F389-F414 HydrophobicContact CE1-CB 3.59Å; F389-F414 AromaticContact CE1-CD2 3.51Å; F389-F414 HydrophobicContact CE1-CD2 3.51Å; F389-F414 HydrophobicContact CE1-CE2 4.41Å; F389-F414 AromaticContact CE1-CG 3.75Å; F389-F414 HydrophobicContact CE1-CG 3.75Å; F389-F414 VanDerWaalsContact CE2-CA 3.42Å; F389-F414 HydrophobicContact CE2-CB 3.66Å; F389-F414 HydrophobicContact CG-CB 4.02Å; F389-F414 VanDerWaalsContact CZ-CA 3.43Å; F389-F414 HydrophobicContact CZ-CB 3.49Å; F389-F414 VanDerWaalsContact CZ-CB 3.49Å; F389-F414 AromaticContact CZ-CD2 3.7Å; F389-F414 HydrophobicContact CZ-CD2 3.7Å; F389-F414 AromaticContact CZ-CG 3.98Å; F389-F414 HydrophobicContact CZ-CG 3.98Å; F389-F414 WeakPolarHBondContact O-CB 3.35Å; Y390-F414 HydrophobicContact CD1-CD1 4.26Å; Y390-F414 HydrophobicContact CD1-CD2 4.29Å; Y390-F414 HydrophobicContact CD1-CE1 4.13Å; Y390-F414 HydrophobicContact CD1-CE2 4.19Å; Y390-F414 HydrophobicContact CD1-CG 4.34Å; Y390-F414 HydrophobicContact CD1-CZ 4.1Å; Y390-F414 HydrophobicContact CE1-CE2 4.42Å; R393-F414 VanDerWaalsContact CZ-O 3.23Å; R393-F414 PolarHBondContact NH1-O 2.61Å; R393-F414 PolarHBondContact NH2-O 3.18Å; F414-I417 HydrophobicContact CE2-CD1 3.87Å; F414-I417 HydrophobicContact CZ-CD1 3.59Å; F414-T420 HydrophobicContact CD2-CG2 4.36Å; F414-T420 HydrophobicContact CE2-CG2 4.29Å; F414-F438 HydrophobicContact CE1-CZ 4.48Å; F414-F438 HydrophobicContact CZ-CE1 4.41Å; F414-F438 AromaticContact CZ-CZ 3.94Å; F414-F438 HydrophobicContact CZ-CZ 3.94Å; F414-F445 HydrophobicContact CE1-CD2 4.43Å; F414-L446 HydrophobicContact CE1-CD2 3.86Å; F414-L446 HydrophobicContact CZ-CD2 3.93Å; F414-V466 HydrophobicContact CD1-CG2 3.81Å; F414-V466 HydrophobicContact CE1-CG1 4.2Å; F414-V466 HydrophobicContact CE1-CG2 3.64Å; F414-V466 HydrophobicContact CE2-CG1 4.02Å; F414-V466 HydrophobicContact CG-CG2 4.42Å; F414-V466 HydrophobicContact CZ-CG1 3.78Å; F414-V466 HydrophobicContact CZ-CG2 4.11Å |
| 415 | N | 94.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | trans | -128.3 | -23.4 | -172.5 | 71.7 | 92.2 | 0 | 0 | 0 | 114.1 | M413 E419 K457 V463 L467 | M413-N415 PolarHBondContact O-N 3.45Å; M413-N415 PolarHBondContact O-ND2 2.67Å; N415-E419 PolarHBondContact OD1-OE2 3.45Å; N415-K457 PolarHBondContact OD1-NZ 2.81Å; N415-V463 HydrophobicContact CB-CG1 4.15Å; N415-L467 PolarHBondContact O-N 3.45Å | ||
| 416 | S | 96.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -149.3 | 133.9 | -179.5 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | S418 E419 T420 | S416-S418 PolarHBondContact OG-N 2.91Å; S416-E419 PolarHBondContact OG-N 3.31Å; S416-T420 WeakPolarHBondContact O-CB 3.47Å; S416-T420 PolarHBondContact O-N 3.13Å; S416-T420 PolarHBondContact O-OG1 2.92Å |
| 417 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 176.5 | -58.5 | -64.7 | 0 | 0 | 0 | 110.7 | W327 Y332 F414 T420 W421 F438 L446 V466 L467 L468 P469 F478 | W327-I417 HydrophobicContact CZ3-CG2 4.49Å; Y332-I417 HydrophobicContact CD1-CG2 3.41Å; Y332-I417 VanDerWaalsContact CD1-CG2 3.41Å; Y332-I417 HydrophobicContact CE1-CG2 3.52Å; Y332-I417 HydrophobicContact CG-CG2 3.94Å; F414-I417 HydrophobicContact CE2-CD1 3.87Å; F414-I417 HydrophobicContact CZ-CD1 3.59Å; I417-T420 WeakPolarHBondContact O-CB 3.29Å; I417-T420 PolarHBondContact O-N 3.11Å; I417-W421 PolarHBondContact O-N 2.64Å; I417-F438 HydrophobicContact CD1-CE1 3.89Å; I417-L446 HydrophobicContact CD1-CD2 4.29Å; I417-V466 HydrophobicContact CD1-CG1 4Å; I417-V466 HydrophobicContact CG1-CG1 4.05Å; I417-L467 PolarHBondContact N-O 3.07Å; I417-L468 HydrophobicContact CG1-CD2 4.23Å; I417-P469 HydrophobicContact CB-CG 4.36Å; I417-P469 HydrophobicContact CG2-CG 4.31Å; I417-F478 HydrophobicContact CD1-CE1 4.16Å; I417-F478 HydrophobicContact CD1-CE2 4.46Å; I417-F478 HydrophobicContact CD1-CZ 3.73Å; I417-F478 HydrophobicContact CG1-CE1 4.5Å; I417-F478 HydrophobicContact CG1-CE2 4.06Å; I417-F478 HydrophobicContact CG1-CZ 3.82Å; I417-F478 HydrophobicContact CG2-CE2 4.11Å; I417-F478 HydrophobicContact CG2-CZ 4.06Å |
| 418 | S | 96.1 | Very high | 93 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -45.3 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | S416 T420 W421 K422 | S416-S418 PolarHBondContact OG-N 2.91Å; S418-T420 VanDerWaalsContact C-N 3.29Å; S418-T420 PolarHBondContact O-N 3.27Å; S418-W421 PolarHBondContact O-N 2.99Å; S418-K422 WeakPolarHBondContact O-CB 3.47Å; S418-K422 PolarHBondContact O-N 3.15Å |
| 419 | E | 94.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 176.4 | -168.3 | 174.2 | -176.8 | 0 | 0 | 110.9 | N415 S416 K422 N423 K457 | N415-E419 PolarHBondContact OD1-OE2 3.45Å; S416-E419 PolarHBondContact OG-N 3.31Å; E419-K422 PolarHBondContact O-N 3.11Å; E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 PolarHBondContact O-N 3.45Å; E419-N423 PolarHBondContact O-ND2 2.91Å; E419-K457 IonicContact OE1-NZ 3.83Å; E419-K457 PolarHBondContact OE1-NZ 3.49Å; E419-K457 VanDerWaalsContact OE1-NZ 3.15Å; E419-K457 IonicContact OE2-NZ 3.38Å; E419-K457 PolarHBondContact OE2-NZ 2.95Å |
| 420 | T | 96.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | W327 F389 Y390 F414 S416 I417 S418 C424 | W327-T420 HydrophobicContact CH2-CG2 4.27Å; W327-T420 HydrophobicContact CZ2-CG2 4.14Å; F389-T420 HydrophobicContact CE1-CG2 3.91Å; F389-T420 HydrophobicContact CZ-CG2 4.13Å; Y390-T420 HydrophobicContact CE1-CG2 4.24Å; F414-T420 HydrophobicContact CD2-CG2 4.36Å; F414-T420 HydrophobicContact CE2-CG2 4.29Å; S416-T420 WeakPolarHBondContact O-CB 3.47Å; S416-T420 PolarHBondContact O-N 3.13Å; S416-T420 PolarHBondContact O-OG1 2.92Å; I417-T420 WeakPolarHBondContact O-CB 3.29Å; I417-T420 PolarHBondContact O-N 3.11Å; S418-T420 VanDerWaalsContact C-N 3.29Å; S418-T420 PolarHBondContact O-N 3.27Å; T420-C424 PolarHBondContact O-N 3.33Å; T420-C424 VanDerWaalsContact O-N 3.13Å; T420-C424 PolarHBondContact O-SG 2.95Å |
| 421 | W | 96.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.3 | 172.9 | -118.3 | 0 | 0 | 0 | 111.8 | W327 A330 Y332 R346 I352 L355 I417 S418 N423 C424 L425 | W327-W421 HydrophobicContact CB-CE3 4.28Å; W327-W421 HydrophobicContact CB-CH2 4.29Å; W327-W421 HydrophobicContact CB-CZ3 3.58Å; W327-W421 AromaticContact CD2-CE3 3.58Å; W327-W421 HydrophobicContact CD2-CE3 3.58Å; W327-W421 AromaticContact CD2-CZ3 3.81Å; W327-W421 HydrophobicContact CD2-CZ3 3.81Å; W327-W421 HydrophobicContact CE3-CD2 4.43Å; W327-W421 AromaticContact CE3-CE3 3.67Å; W327-W421 HydrophobicContact CE3-CE3 3.67Å; W327-W421 HydrophobicContact CE3-CZ3 4.17Å; W327-W421 AromaticContact CG-CE3 3.87Å; W327-W421 HydrophobicContact CG-CE3 3.87Å; W327-W421 AromaticContact CG-CZ3 3.56Å; W327-W421 HydrophobicContact CG-CZ3 3.56Å; W327-W421 HydrophobicContact CH2-CB 4.36Å; W327-W421 HydrophobicContact CZ3-CB 4.27Å; W327-W421 HydrophobicContact CZ3-CE3 4.24Å; A330-W421 HydrophobicContact CB-CZ2 3.89Å; A330-W421 PolarHBondContact O-NE1 3.03Å; Y332-W421 HydrophobicContact CD2-CB 3.63Å; Y332-W421 AromaticContact CD2-CD1 3.55Å; Y332-W421 HydrophobicContact CD2-CD2 4.37Å; Y332-W421 AromaticContact CD2-CG 3.57Å; Y332-W421 HydrophobicContact CD2-CG 3.57Å; Y332-W421 HydrophobicContact CE2-CB 3.77Å; Y332-W421 AromaticContact CE2-CD1 3.9Å; Y332-W421 AromaticContact CE2-CD2 3.96Å; Y332-W421 HydrophobicContact CE2-CD2 3.96Å; Y332-W421 AromaticContact CE2-CG 3.59Å; Y332-W421 HydrophobicContact CE2-CG 3.59Å; R346-W421 HydrophobicContact CB-CH2 4.36Å; R346-W421 HydrophobicContact CG-CH2 4.14Å; I352-W421 HydrophobicContact CD1-CZ3 3.89Å; L355-W421 HydrophobicContact CD1-CH2 3.73Å; L355-W421 HydrophobicContact CD1-CZ2 4.47Å; L355-W421 HydrophobicContact CD1-CZ3 4.46Å; I417-W421 PolarHBondContact O-N 2.64Å; S418-W421 PolarHBondContact O-N 2.99Å; W421-N423 VanDerWaalsContact C-N 3.33Å; W421-N423 PolarHBondContact O-N 3.2Å; W421-C424 WeakPolarHBondContact O-CB 3.41Å; W421-C424 PolarHBondContact O-N 2.84Å; W421-C424 VanDerWaalsContact O-N 3.11Å; W421-L425 HydrophobicContact CD2-CD1 4.41Å; W421-L425 HydrophobicContact CH2-CD2 4.16Å; W421-L425 HydrophobicContact CZ2-CD1 3.98Å; W421-L425 HydrophobicContact CZ2-CD2 4.08Å; W421-L425 HydrophobicContact CZ2-CG 4.3Å; W421-L425 PolarHBondContact O-N 2.84Å |
| 422 | K | 95.8 | Very high | 93.7 | Very high | 109 Ų | 109 | 41 Ų | 41 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.3 | -175 | 178.2 | 177.9 | 178.6 | 0 | 111.9 | S418 E419 C424 L425 E426 | S418-K422 WeakPolarHBondContact O-CB 3.47Å; S418-K422 PolarHBondContact O-N 3.15Å; E419-K422 PolarHBondContact O-N 3.11Å; K422-C424 VanDerWaalsContact C-N 3.3Å; K422-C424 PolarHBondContact O-N 3.01Å; K422-L425 PolarHBondContact O-N 2.9Å; K422-E426 WeakPolarHBondContact CE-OE1 3.47Å; K422-E426 WeakPolarHBondContact CE-OE2 3.28Å; K422-E426 HydrophobicContact CG-CG 4.45Å; K422-E426 IonicContact NZ-OE2 2.82Å; K422-E426 PolarHBondContact O-N 3.07Å |
| 423 | N | 94.7 | Very high | 94.1 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 176.1 | -71.8 | -17.1 | 0 | 0 | 0 | 112 | E419 W421 L425 E426 G427 | E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 PolarHBondContact O-N 3.45Å; E419-N423 PolarHBondContact O-ND2 2.91Å; W421-N423 VanDerWaalsContact C-N 3.33Å; W421-N423 PolarHBondContact O-N 3.2Å; N423-L425 PolarHBondContact O-N 3.07Å; N423-E426 PolarHBondContact O-N 3.17Å; N423-G427 VanDerWaalsContact O-CA 3.24Å; N423-G427 WeakPolarHBondContact O-CA 3.48Å; N423-G427 PolarHBondContact O-N 3.13Å |
| 424 | C | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -22.1 | 172.4 | -68.4 | 0 | 0 | 0 | 0 | 114 | I352 R359 T420 W421 K422 K432 | I352-C424 HydrophobicContact CG2-CB 4.08Å; I352-C424 WeakPolarHBondContact CG2-O 3.37Å; R359-C424 PolarHBondContact NH1-O 2.85Å; R359-C424 PolarHBondContact NH2-O 3.42Å; T420-C424 PolarHBondContact O-N 3.33Å; T420-C424 VanDerWaalsContact O-N 3.13Å; T420-C424 PolarHBondContact O-SG 2.95Å; W421-C424 WeakPolarHBondContact O-CB 3.41Å; W421-C424 PolarHBondContact O-N 2.84Å; W421-C424 VanDerWaalsContact O-N 3.11Å; K422-C424 VanDerWaalsContact C-N 3.3Å; K422-C424 PolarHBondContact O-N 3.01Å; C424-K432 VanDerWaalsContact SG-CE 3.53Å; C424-K432 VanDerWaalsContact SG-CG 3.52Å; C424-K432 PolarHBondContact SG-NZ 3.05Å |
| 425 | L | 93.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 34 Ų | 34 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -95.4 | -32.3 | 179.6 | -63 | 179.9 | 0 | 0 | 0 | 113.2 | L355 N356 R359 W421 K422 N423 | L355-L425 HydrophobicContact CB-CD2 3.66Å; L355-L425 HydrophobicContact CD1-CD2 3.72Å; L355-L425 HydrophobicContact CG-CD2 4.37Å; N356-L425 WeakPolarHBondContact CB-O 3.27Å; N356-L425 PolarHBondContact ND2-O 3.46Å; R359-L425 VanDerWaalsContact CZ-C 3.44Å; R359-L425 PolarHBondContact NE-O 2.65Å; R359-L425 VanDerWaalsContact NH1-C 3.32Å; R359-L425 PolarHBondContact NH1-O 3.23Å; R359-L425 PolarHBondContact NH2-O 2.87Å; W421-L425 HydrophobicContact CD2-CD1 4.41Å; W421-L425 HydrophobicContact CH2-CD2 4.16Å; W421-L425 HydrophobicContact CZ2-CD1 3.98Å; W421-L425 HydrophobicContact CZ2-CD2 4.08Å; W421-L425 HydrophobicContact CZ2-CG 4.3Å; W421-L425 PolarHBondContact O-N 2.84Å; K422-L425 PolarHBondContact O-N 2.9Å; N423-L425 PolarHBondContact O-N 3.07Å |
| 426 | E | 93.4 | Very high | 94.4 | Very high | 102 Ų | 102 | 33.4 Ų | 33.4 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -110 | -25.6 | -172 | -64.4 | 176.4 | -171.1 | 0 | 0 | 113.2 | K422 N423 | K422-E426 WeakPolarHBondContact CE-OE1 3.47Å; K422-E426 WeakPolarHBondContact CE-OE2 3.28Å; K422-E426 HydrophobicContact CG-CG 4.45Å; K422-E426 IonicContact NZ-OE2 2.82Å; K422-E426 PolarHBondContact O-N 3.07Å; N423-E426 PolarHBondContact O-N 3.17Å |
| 427 | G | 89.3 | Confident | 94.3 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | trans | -61.6 | 140.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R359 N423 T429 | R359-G427 WeakPolarHBondContact CD-O 3.49Å; R359-G427 PolarHBondContact NH1-O 3.39Å; R359-G427 VanDerWaalsContact NH1-O 3.11Å; N423-G427 VanDerWaalsContact O-CA 3.24Å; N423-G427 WeakPolarHBondContact O-CA 3.48Å; N423-G427 PolarHBondContact O-N 3.13Å; G427-T429 VanDerWaalsContact C-N 3.31Å; G427-T429 PolarHBondContact O-N 3.35Å | ||
| 428 | A | 85.1 | Confident | 94.3 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 65% | 0.653 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -68.7 | -29.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 429 | T | 88.5 | Confident | 94.3 | Very high | 86 Ų | 86 | 31.7 Ų | 31.7 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -135.4 | 16.6 | -174.8 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | S379 Y386 G427 | S379-T429 WeakPolarHBondContact CB-O 3.2Å; S379-T429 PolarHBondContact OG-O 2.83Å; Y386-T429 PolarHBondContact OH-O 3.21Å; Y386-T429 VanDerWaalsContact OH-O 3.04Å; G427-T429 VanDerWaalsContact C-N 3.31Å; G427-T429 PolarHBondContact O-N 3.35Å |
| 430 | D | 92.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | trans | -106.9 | 103.2 | -179.1 | -170.3 | -7.7 | 0 | 0 | 0 | 109.9 | R359 K432 | R359-D430 PolarHBondContact NH1-O 3.04Å; D430-K432 VanDerWaalsContact OD1-CD 3.25Å; D430-K432 WeakPolarHBondContact OD1-CD 3.47Å; D430-K432 WeakPolarHBondContact OD1-CE 3.44Å; D430-K432 WeakPolarHBondContact OD1-CG 3.4Å; D430-K432 PolarHBondContact OD1-N 3.14Å; D430-K432 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 431 | F | 94 | Very high | 93.8 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | trans | -124.7 | 21.2 | -178.6 | -51.4 | -66.9 | 0 | 0 | 0 | 112.2 | I352 L363 Y377 Y381 | I352-F431 HydrophobicContact CG2-CB 4.4Å; I352-F431 HydrophobicContact CG2-CD1 4.45Å; L363-F431 HydrophobicContact CD1-CE1 3.94Å; L363-F431 HydrophobicContact CD1-CZ 3.99Å; L363-F431 HydrophobicContact CD2-CZ 4.17Å; Y377-F431 AromaticContact CD1-CD1 3.97Å; Y377-F431 HydrophobicContact CD1-CD1 3.97Å; Y377-F431 AromaticContact CD1-CD2 3.89Å; Y377-F431 HydrophobicContact CD1-CD2 3.89Å; Y377-F431 AromaticContact CD1-CE1 3.9Å; Y377-F431 HydrophobicContact CD1-CE1 3.9Å; Y377-F431 AromaticContact CD1-CE2 3.82Å; Y377-F431 HydrophobicContact CD1-CE2 3.82Å; Y377-F431 AromaticContact CD1-CG 3.97Å; Y377-F431 HydrophobicContact CD1-CG 3.97Å; Y377-F431 AromaticContact CD1-CZ 3.83Å; Y377-F431 HydrophobicContact CD1-CZ 3.83Å; Y377-F431 HydrophobicContact CE1-CD1 4.1Å; Y377-F431 HydrophobicContact CE1-CE1 4.03Å; Y377-F431 HydrophobicContact CE1-CG 4.49Å; Y377-F431 HydrophobicContact CE1-CZ 4.36Å; Y377-F431 HydrophobicContact CG-CD2 4.43Å; Y381-F431 WeakPolarHBondContact CA-O 3.44Å; Y381-F431 VanDerWaalsContact CB-O 3.22Å; Y381-F431 WeakPolarHBondContact CB-O 3.42Å | ||
| 432 | K | 95.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | trans | -67.8 | 135.3 | -170 | 67.8 | -165.2 | 170.5 | 46.4 | 0 | 112.8 | W327 Y381 Y386 Y390 C424 D430 | W327-K432 PolarHBondContact NE1-O 2.92Å; Y381-K432 WeakPolarHBondContact O-CA 3.39Å; Y386-K432 HydrophobicContact CD1-CB 4.35Å; Y386-K432 HydrophobicContact CD1-CD 4.27Å; Y386-K432 HydrophobicContact CD2-CB 3.36Å; Y386-K432 HydrophobicContact CE2-CB 3.59Å; Y386-K432 HydrophobicContact CG-CB 3.76Å; Y386-K432 HydrophobicContact CG-CD 4.34Å; Y390-K432 WeakPolarHBondContact OH-CG 3.36Å; Y390-K432 PolarHBondContact OH-NZ 2.7Å; C424-K432 VanDerWaalsContact SG-CE 3.53Å; C424-K432 VanDerWaalsContact SG-CG 3.52Å; C424-K432 PolarHBondContact SG-NZ 3.05Å; D430-K432 VanDerWaalsContact OD1-CD 3.25Å; D430-K432 WeakPolarHBondContact OD1-CD 3.47Å; D430-K432 WeakPolarHBondContact OD1-CE 3.44Å; D430-K432 WeakPolarHBondContact OD1-CG 3.4Å; D430-K432 PolarHBondContact OD1-N 3.14Å; D430-K432 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 433 | E | 97.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | trans | -86.8 | -176.9 | 167.8 | -73.8 | -72.6 | -172.7 | 0 | 0 | 110.1 | V324 P326 W327 R346 I352 Y381 Y390 W498 | V324-E433 HydrophobicContact CG1-CB 3.67Å; V324-E433 HydrophobicContact CG1-CG 4.31Å; P326-E433 WeakPolarHBondContact CA-OE2 3.21Å; W327-E433 PolarHBondContact N-OE2 3Å; R346-E433 IonicContact CZ-OE1 3.67Å; R346-E433 VanDerWaalsContact CZ-OE1 3.28Å; R346-E433 IonicContact NH1-OE1 2.62Å; R346-E433 PolarHBondContact NH1-OE1 3.08Å; R346-E433 IonicContact NH1-OE2 2.72Å; R346-E433 PolarHBondContact NH1-OE2 2.79Å; R346-E433 IonicContact NH2-OE1 3.9Å; R346-E433 PolarHBondContact NH2-OE1 2.82Å; I352-E433 HydrophobicContact CG1-CG 4.35Å; Y381-E433 HydrophobicContact CD2-CG 4.38Å; Y381-E433 HydrophobicContact CG-CG 4.24Å; Y381-E433 PolarHBondContact O-N 2.78Å; Y390-E433 PolarHBondContact OH-O 2.95Å; E433-W498 PolarHBondContact OE1-NE1 2.77Å | ||
| 434 | L | 97.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 168.6 | 178 | -68.4 | -176.3 | 0 | 0 | 0 | 112.2 | F325 W327 F438 Y439 | F325-L434 HydrophobicContact CB-CB 4.46Å; F325-L434 PolarHBondContact N-O 2.86Å; F325-L434 CarbonylContact O-C 3.57Å; F325-L434 WeakPolarHBondContact O-CA 3.42Å; F325-L434 WeakPolarHBondContact O-CB 3.22Å; F325-L434 PolarHBondContact O-N 3.01Å; F325-L434 VanDerWaalsContact O-O 3.08Å; W327-L434 HydrophobicContact CD2-CD1 3.85Å; W327-L434 HydrophobicContact CD2-CD2 3.72Å; W327-L434 HydrophobicContact CD2-CG 3.61Å; W327-L434 HydrophobicContact CE3-CD1 3.87Å; W327-L434 HydrophobicContact CE3-CD2 4.07Å; W327-L434 HydrophobicContact CE3-CG 4.1Å; W327-L434 HydrophobicContact CG-CD1 4.15Å; W327-L434 HydrophobicContact CG-CD2 4.36Å; W327-L434 HydrophobicContact CG-CG 3.8Å; W327-L434 HydrophobicContact CH2-CD2 3.75Å; W327-L434 HydrophobicContact CZ2-CD2 3.36Å; W327-L434 HydrophobicContact CZ2-CG 4.21Å; W327-L434 HydrophobicContact CZ3-CD1 4.37Å; W327-L434 HydrophobicContact CZ3-CD2 4.08Å; L434-F438 HydrophobicContact CB-CD2 4.4Å; L434-F438 HydrophobicContact CD1-CB 4.18Å; L434-F438 HydrophobicContact CD1-CD1 4.37Å; L434-F438 HydrophobicContact CD1-CG 4.18Å; L434-F438 HydrophobicContact CD2-CD1 4.13Å; L434-F438 HydrophobicContact CD2-CD2 3.9Å; L434-F438 HydrophobicContact CD2-CE1 4.11Å; L434-F438 HydrophobicContact CD2-CE2 3.88Å; L434-F438 HydrophobicContact CD2-CG 4.02Å; L434-F438 HydrophobicContact CD2-CZ 3.98Å; L434-Y439 HydrophobicContact CB-CE2 4.44Å; L434-Y439 HydrophobicContact CD1-CE2 4.06Å |
| 435 | I | 96.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -109.5 | 157.8 | 172.8 | 60.6 | 175.6 | 0 | 0 | 0 | 110 | Y322 V387 Y390 L391 E437 F438 | Y322-I435 HydrophobicContact CD1-CB 4.3Å; Y322-I435 HydrophobicContact CD1-CG2 3.85Å; Y322-I435 HydrophobicContact CE1-CB 3.83Å; Y322-I435 HydrophobicContact CE1-CG2 3.8Å; V387-I435 HydrophobicContact CG2-CG2 4.28Å; Y390-I435 HydrophobicContact CD2-CD1 4.02Å; Y390-I435 HydrophobicContact CD2-CG1 4.12Å; Y390-I435 HydrophobicContact CD2-CG2 4.12Å; Y390-I435 HydrophobicContact CG-CD1 4.24Å; L391-I435 HydrophobicContact CD1-CD1 4.46Å; L391-I435 HydrophobicContact CD2-CD1 3.84Å; L391-I435 HydrophobicContact CG-CD1 3.98Å; I435-E437 VanDerWaalsContact CB-OE2 3.27Å; I435-E437 WeakPolarHBondContact CB-OE2 3.29Å; I435-E437 HydrophobicContact CD1-CB 4.09Å; I435-E437 HydrophobicContact CD1-CG 4.27Å; I435-E437 VanDerWaalsContact CD1-OE2 3.24Å; I435-E437 WeakPolarHBondContact CD1-OE2 3.46Å; I435-E437 HydrophobicContact CG1-CB 4.13Å; I435-E437 WeakPolarHBondContact CG1-OE2 3.48Å; I435-E437 PolarHBondContact O-N 2.82Å; I435-F438 HydrophobicContact CD1-CE2 4.48Å; I435-F438 HydrophobicContact CG1-CD2 3.71Å; I435-F438 HydrophobicContact CG1-CE2 3.93Å; I435-F438 PolarHBondContact O-N 3.48Å | ||
| 436 | P | 95 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -55 | -27.4 | -178.1 | -22.4 | 30.3 | 0 | 0 | 0 | 114.4 | L253 Y302 P323 F325 F438 Y439 G440 | L253-P436 HydrophobicContact CD2-CG 4.39Å; Y302-P436 HydrophobicContact CE2-CB 4.45Å; P323-P436 HydrophobicContact CB-CG 3.66Å; P323-P436 WeakPolarHBondContact O-CD 3.45Å; F325-P436 HydrophobicContact CD2-CB 4.1Å; F325-P436 HydrophobicContact CD2-CG 3.68Å; F325-P436 HydrophobicContact CE2-CB 3.95Å; F325-P436 HydrophobicContact CE2-CG 3.67Å; F325-P436 HydrophobicContact CZ-CB 4.35Å; P436-F438 PolarHBondContact O-N 3.4Å; P436-F438 VanDerWaalsContact O-N 3.17Å; P436-Y439 CarbonylContact O-C 3.55Å; P436-Y439 PolarHBondContact O-N 3.47Å; P436-G440 PolarHBondContact O-N 2.78Å |
| 437 | E | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -57.4 | -30 | -178.7 | -71 | 71.3 | -165.2 | 0 | 0 | 112.8 | M1 Y322 L391 I435 Y439 G440 F445 | M1-E437 HydrophobicContact SD-CG 4.44Å; Y322-E437 PolarHBondContact OH-OE1 3.18Å; Y322-E437 PolarHBondContact OH-OE2 2.97Å; L391-E437 HydrophobicContact CD2-CG 4.25Å; I435-E437 VanDerWaalsContact CB-OE2 3.27Å; I435-E437 WeakPolarHBondContact CB-OE2 3.29Å; I435-E437 HydrophobicContact CD1-CB 4.09Å; I435-E437 HydrophobicContact CD1-CG 4.27Å; I435-E437 VanDerWaalsContact CD1-OE2 3.24Å; I435-E437 WeakPolarHBondContact CD1-OE2 3.46Å; I435-E437 HydrophobicContact CG1-CB 4.13Å; I435-E437 WeakPolarHBondContact CG1-OE2 3.48Å; I435-E437 PolarHBondContact O-N 2.82Å; E437-Y439 PolarHBondContact O-N 2.95Å; E437-G440 PolarHBondContact O-N 3.48Å; E437-F445 HydrophobicContact CB-CD1 4.17Å; E437-F445 HydrophobicContact CB-CE1 3.86Å; E437-F445 HydrophobicContact CB-CZ 4.18Å |
| 438 | F | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.1 | -16.6 | 174.9 | -79.3 | -95.5 | 0 | 0 | 0 | 113.8 | Y390 F414 I417 L434 I435 P436 F445 F478 L479 H482 | Y390-F438 AromaticContact CD1-CE2 3.73Å; Y390-F438 HydrophobicContact CD1-CE2 3.73Å; Y390-F438 AromaticContact CD1-CZ 3.66Å; Y390-F438 HydrophobicContact CD1-CZ 3.66Å; Y390-F438 HydrophobicContact CD2-CE2 4.2Å; Y390-F438 HydrophobicContact CE1-CE2 4.05Å; Y390-F438 AromaticContact CE1-CZ 3.87Å; Y390-F438 HydrophobicContact CE1-CZ 3.87Å; Y390-F438 HydrophobicContact CE2-CE2 4.49Å; Y390-F438 AromaticContact CG-CE2 3.81Å; Y390-F438 HydrophobicContact CG-CE2 3.81Å; Y390-F438 HydrophobicContact CG-CZ 4.23Å; F414-F438 HydrophobicContact CE1-CZ 4.48Å; F414-F438 HydrophobicContact CZ-CE1 4.41Å; F414-F438 AromaticContact CZ-CZ 3.94Å; F414-F438 HydrophobicContact CZ-CZ 3.94Å; I417-F438 HydrophobicContact CD1-CE1 3.89Å; L434-F438 HydrophobicContact CB-CD2 4.4Å; L434-F438 HydrophobicContact CD1-CB 4.18Å; L434-F438 HydrophobicContact CD1-CD1 4.37Å; L434-F438 HydrophobicContact CD1-CG 4.18Å; L434-F438 HydrophobicContact CD2-CD1 4.13Å; L434-F438 HydrophobicContact CD2-CD2 3.9Å; L434-F438 HydrophobicContact CD2-CE1 4.11Å; L434-F438 HydrophobicContact CD2-CE2 3.88Å; L434-F438 HydrophobicContact CD2-CG 4.02Å; L434-F438 HydrophobicContact CD2-CZ 3.98Å; I435-F438 HydrophobicContact CD1-CE2 4.48Å; I435-F438 HydrophobicContact CG1-CD2 3.71Å; I435-F438 HydrophobicContact CG1-CE2 3.93Å; I435-F438 PolarHBondContact O-N 3.48Å; P436-F438 PolarHBondContact O-N 3.4Å; P436-F438 VanDerWaalsContact O-N 3.17Å; F438-F445 HydrophobicContact CD1-CZ 4.43Å; F438-F445 HydrophobicContact CD2-CE2 4.18Å; F438-F445 HydrophobicContact CD2-CZ 4.21Å; F438-F445 HydrophobicContact CE1-CE2 4.24Å; F438-F445 AromaticContact CE2-CE2 3.81Å; F438-F445 HydrophobicContact CE2-CE2 3.81Å; F438-F445 HydrophobicContact CE2-CZ 4.3Å; F438-F445 HydrophobicContact CG-CZ 4.28Å; F438-F445 AromaticContact CZ-CE2 3.85Å; F438-F445 HydrophobicContact CZ-CE2 3.85Å; F438-F445 HydrophobicContact CZ-CZ 4.45Å; F438-F478 HydrophobicContact CD1-CE1 4.03Å; F438-F478 HydrophobicContact CD1-CZ 4.28Å; F438-F478 HydrophobicContact CE1-CE1 4.28Å; F438-F478 HydrophobicContact CE1-CZ 4.41Å; F438-L479 WeakPolarHBondContact O-CD2 3.46Å; F438-H482 WeakPolarHBondContact O-CB 3.45Å |
| 439 | Y | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -119.4 | 8.9 | -179.4 | -57.3 | -76.2 | 0 | 0 | 0 | 112.6 | F325 P326 V328 L434 P436 E437 H482 R483 L486 | F325-Y439 HydrophobicContact CB-CD2 4.12Å; F325-Y439 HydrophobicContact CB-CE2 3.9Å; F325-Y439 AromaticContact CD1-CD2 3.52Å; F325-Y439 HydrophobicContact CD1-CD2 3.52Å; F325-Y439 AromaticContact CD1-CE2 3.95Å; F325-Y439 HydrophobicContact CD1-CE2 3.95Å; F325-Y439 HydrophobicContact CD1-CG 4.32Å; F325-Y439 HydrophobicContact CE1-CD2 4.35Å; F325-Y439 HydrophobicContact CG-CD2 4.16Å; F325-Y439 HydrophobicContact CG-CE2 4.39Å; P326-Y439 PolarHBondContact O-OH 2.99Å; V328-Y439 WeakPolarHBondContact CB-OH 3.37Å; V328-Y439 HydrophobicContact CG2-CE1 4.33Å; V328-Y439 VanDerWaalsContact CG2-OH 3.28Å; V328-Y439 WeakPolarHBondContact CG2-OH 3.27Å; V328-Y439 PolarHBondContact N-OH 3.24Å; L434-Y439 HydrophobicContact CB-CE2 4.44Å; L434-Y439 HydrophobicContact CD1-CE2 4.06Å; P436-Y439 CarbonylContact O-C 3.55Å; P436-Y439 PolarHBondContact O-N 3.47Å; E437-Y439 PolarHBondContact O-N 2.95Å; Y439-H482 HydrophobicContact CD1-CB 4.02Å; Y439-H482 WeakPolarHBondContact CD1-O 3.49Å; Y439-H482 HydrophobicContact CE1-CB 4.06Å; Y439-H482 AromaticContact CE1-ND1 3.82Å; Y439-H482 WeakPolarHBondContact CE1-O 3.36Å; Y439-R483 PolarHBondContact O-NH1 2.91Å; Y439-R483 VanDerWaalsContact O-NH1 3.14Å; Y439-L486 HydrophobicContact CD1-CB 3.63Å; Y439-L486 HydrophobicContact CD1-CD2 3.63Å; Y439-L486 HydrophobicContact CD1-CG 4.19Å; Y439-L486 HydrophobicContact CD2-CD2 4.25Å; Y439-L486 HydrophobicContact CE1-CB 3.68Å; Y439-L486 HydrophobicContact CE1-CD2 4.17Å; Y439-L486 HydrophobicContact CE1-CG 4.34Å; Y439-L486 HydrophobicContact CG-CD2 3.67Å |
| 440 | G | 90.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -93.3 | -167.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P436 E437 | P436-G440 PolarHBondContact O-N 2.78Å; E437-G440 PolarHBondContact O-N 3.48Å |
| 441 | N | 89.4 | Confident | 93.8 | Very high | 155 Ų | 155 | 33 Ų | 33 | 83% | 0.829 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -105.8 | -7.1 | -176.4 | -65.2 | -31.6 | 0 | 0 | 0 | 114 | ||
| 442 | D | 90.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | trans | -100.5 | 103.6 | -173.5 | -171.9 | -11 | 0 | 0 | 0 | 111.3 | M1 S444 F445 | M1-D442 WeakPolarHBondContact CA-OD2 3.46Å; M1-D442 WeakPolarHBondContact CB-OD2 3.4Å; M1-D442 HydrophobicContact CE-CB 4.38Å; M1-D442 HydrophobicContact CG-CB 4.17Å; M1-D442 WeakPolarHBondContact CG-OD2 3.26Å; M1-D442 PolarHBondContact N-OD2 2.97Å; D442-S444 VanDerWaalsContact C-N 3.29Å; D442-S444 PolarHBondContact O-N 3.4Å; D442-S444 VanDerWaalsContact OD1-CB 3.28Å; D442-S444 WeakPolarHBondContact OD1-CB 3.29Å; D442-S444 PolarHBondContact OD1-N 2.98Å; D442-S444 PolarHBondContact OD1-OG 3.46Å; D442-F445 WeakPolarHBondContact O-CD1 3.38Å; D442-F445 WeakPolarHBondContact O-CE1 3.43Å | ||
| 443 | S | 93.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -80.6 | -1.7 | -179 | 65.5 | 0 | 0 | 0 | 0 | 114.9 | F445 L446 E447 | S443-F445 PolarHBondContact O-N 3.18Å; S443-F445 VanDerWaalsContact O-N 3.08Å; S443-L446 WeakPolarHBondContact O-CB 3.44Å; S443-L446 PolarHBondContact O-N 2.94Å; S443-E447 PolarHBondContact OG-OE1 3.29Å |
| 444 | S | 92.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.3 | -169.2 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | M1 V394 D442 L446 E447 | M1-S444 WeakPolarHBondContact CE-OG 3.39Å; V394-S444 WeakPolarHBondContact CG1-O 3.45Å; D442-S444 VanDerWaalsContact C-N 3.29Å; D442-S444 PolarHBondContact O-N 3.4Å; D442-S444 VanDerWaalsContact OD1-CB 3.28Å; D442-S444 WeakPolarHBondContact OD1-CB 3.29Å; D442-S444 PolarHBondContact OD1-N 2.98Å; D442-S444 PolarHBondContact OD1-OG 3.46Å; S444-L446 PolarHBondContact O-N 2.92Å; S444-E447 PolarHBondContact O-N 2.89Å |
| 445 | F | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.4 | -15.2 | 173.4 | 74.5 | -81.6 | 0 | 0 | 0 | 113.8 | M1 L391 R393 V394 F414 E437 F438 D442 S443 L479 | M1-F445 HydrophobicContact CE-CB 3.97Å; M1-F445 HydrophobicContact CE-CD1 4.21Å; L391-F445 HydrophobicContact CD2-CB 3.97Å; L391-F445 HydrophobicContact CD2-CG 4.38Å; R393-F445 WeakPolarHBondContact CD-O 3.44Å; V394-F445 HydrophobicContact CG1-CB 4.29Å; V394-F445 HydrophobicContact CG2-CB 3.89Å; F414-F445 HydrophobicContact CE1-CD2 4.43Å; E437-F445 HydrophobicContact CB-CD1 4.17Å; E437-F445 HydrophobicContact CB-CE1 3.86Å; E437-F445 HydrophobicContact CB-CZ 4.18Å; F438-F445 HydrophobicContact CD1-CZ 4.43Å; F438-F445 HydrophobicContact CD2-CE2 4.18Å; F438-F445 HydrophobicContact CD2-CZ 4.21Å; F438-F445 HydrophobicContact CE1-CE2 4.24Å; F438-F445 AromaticContact CE2-CE2 3.81Å; F438-F445 HydrophobicContact CE2-CE2 3.81Å; F438-F445 HydrophobicContact CE2-CZ 4.3Å; F438-F445 HydrophobicContact CG-CZ 4.28Å; F438-F445 AromaticContact CZ-CE2 3.85Å; F438-F445 HydrophobicContact CZ-CE2 3.85Å; F438-F445 HydrophobicContact CZ-CZ 4.45Å; D442-F445 WeakPolarHBondContact O-CD1 3.38Å; D442-F445 WeakPolarHBondContact O-CE1 3.43Å; S443-F445 PolarHBondContact O-N 3.18Å; S443-F445 VanDerWaalsContact O-N 3.08Å; F445-L479 HydrophobicContact CE1-CD1 4.34Å; F445-L479 HydrophobicContact CE1-CD2 4.16Å; F445-L479 HydrophobicContact CZ-CD2 4.08Å |
| 446 | L | 96.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -91.4 | -13.6 | 175.8 | -60.3 | 172.2 | 0 | 0 | 0 | 112.5 | F414 I417 S443 S444 V466 L468 A475 F478 L479 | F414-L446 HydrophobicContact CE1-CD2 3.86Å; F414-L446 HydrophobicContact CZ-CD2 3.93Å; I417-L446 HydrophobicContact CD1-CD2 4.29Å; S443-L446 WeakPolarHBondContact O-CB 3.44Å; S443-L446 PolarHBondContact O-N 2.94Å; S444-L446 PolarHBondContact O-N 2.92Å; L446-V466 HydrophobicContact CB-CB 4.38Å; L446-V466 HydrophobicContact CB-CG2 4.48Å; L446-V466 HydrophobicContact CD2-CB 4.06Å; L446-V466 HydrophobicContact CD2-CG1 4.16Å; L446-V466 HydrophobicContact CD2-CG2 4.09Å; L446-V466 PolarHBondContact O-N 3.42Å; L446-L468 HydrophobicContact CD1-CD2 4.26Å; L446-A475 HydrophobicContact CB-CB 4.12Å; L446-A475 HydrophobicContact CD1-CB 3.99Å; L446-F478 HydrophobicContact CD1-CD1 3.63Å; L446-F478 HydrophobicContact CD1-CE1 3.98Å; L446-L479 HydrophobicContact CD1-CD2 4.35Å |
| 447 | E | 94.7 | Very high | 92.3 | Very high | 48 Ų | 48 | 49 Ų | 49 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -115.8 | 129.9 | -171.7 | -64.2 | 166.1 | -152.9 | 0 | 0 | 110.5 | S443 S444 R449 D465 A475 | S443-E447 PolarHBondContact OG-OE1 3.29Å; S444-E447 PolarHBondContact O-N 2.89Å; E447-R449 HydrophobicContact CB-CG 3.98Å; E447-R449 PolarHBondContact O-N 2.97Å; E447-R449 IonicContact OE1-NH2 3.89Å; E447-R449 IonicContact OE2-CZ 3.48Å; E447-R449 IonicContact OE2-NE 2.98Å; E447-R449 PolarHBondContact OE2-NE 3.1Å; E447-R449 IonicContact OE2-NH2 2.79Å; E447-R449 PolarHBondContact OE2-NH2 3.02Å; E447-D465 WeakPolarHBondContact CA-OD1 3.48Å; E447-A475 HydrophobicContact CG-CB 4.36Å |
| 448 | N | 93.9 | Very high | 92 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | trans | -81.5 | 60.3 | 177.7 | -171.1 | 13.7 | 0 | 0 | 0 | 111.5 | L450 S451 L452 D465 | N448-L450 PolarHBondContact O-N 3.24Å; N448-S451 PolarHBondContact O-N 2.93Å; N448-S451 PolarHBondContact OD1-N 3.28Å; N448-L452 PolarHBondContact ND2-N 3.13Å; N448-L452 PolarHBondContact ND2-O 3.16Å; N448-L452 WeakPolarHBondContact OD1-CB 3.42Å; N448-L452 PolarHBondContact OD1-N 3.28Å; N448-D465 PolarHBondContact N-OD1 3.32Å | ||
| 449 | R | 91.1 | Very high | 91.5 | Very high | 153 Ų | 153 | 61.4 Ų | 61.4 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.5 | -177.8 | -62.1 | -176.6 | -178.2 | 174.2 | 4.5 | 113.5 | E447 S451 | E447-R449 HydrophobicContact CB-CG 3.98Å; E447-R449 PolarHBondContact O-N 2.97Å; E447-R449 IonicContact OE1-NH2 3.89Å; E447-R449 IonicContact OE2-CZ 3.48Å; E447-R449 IonicContact OE2-NE 2.98Å; E447-R449 PolarHBondContact OE2-NE 3.1Å; E447-R449 IonicContact OE2-NH2 2.79Å; E447-R449 PolarHBondContact OE2-NH2 3.02Å; R449-S451 VanDerWaalsContact C-N 3.28Å |
| 450 | L | 87.4 | Confident | 91 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.1 | 178.2 | -65.9 | 177.4 | 0 | 0 | 0 | 113.2 | P396 N448 L452 | P396-L450 HydrophobicContact CG-CD1 4.06Å; N448-L450 PolarHBondContact O-N 3.24Å; L450-L452 HydrophobicContact CB-CD2 3.99Å; L450-L452 HydrophobicContact CB-CG 3.91Å; L450-L452 PolarHBondContact O-N 2.88Å |
| 451 | S | 90.9 | Very high | 91 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 74% | 0.741 | 34% | 0.341 | S | S | * | . | trans | 51.8 | 41.8 | -177.1 | -57 | 0 | 0 | 0 | 0 | 112.8 | N448 R449 | N448-S451 PolarHBondContact O-N 2.93Å; N448-S451 PolarHBondContact OD1-N 3.28Å; R449-S451 VanDerWaalsContact C-N 3.28Å | ||
| 452 | L | 90.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | trans | -64.3 | 140.5 | 179 | -58.5 | 170.1 | 0 | 0 | 0 | 110.3 | I111 P396 N448 L450 L454 | I111-L452 HydrophobicContact CB-CD2 4.49Å; P396-L452 HydrophobicContact CB-CD1 3.77Å; P396-L452 HydrophobicContact CB-CD2 4.09Å; P396-L452 HydrophobicContact CG-CD1 4.12Å; P396-L452 HydrophobicContact CG-CD2 4.19Å; N448-L452 PolarHBondContact ND2-N 3.13Å; N448-L452 PolarHBondContact ND2-O 3.16Å; N448-L452 WeakPolarHBondContact OD1-CB 3.42Å; N448-L452 PolarHBondContact OD1-N 3.28Å; L450-L452 HydrophobicContact CB-CD2 3.99Å; L450-L452 HydrophobicContact CB-CG 3.91Å; L450-L452 PolarHBondContact O-N 2.88Å; L452-L454 HydrophobicContact CB-CD2 3.81Å; L452-L454 HydrophobicContact CB-CG 4.04Å; L452-L454 HydrophobicContact CD1-CD2 4.22Å; L452-L454 PolarHBondContact O-N 3.02Å | ||
| 453 | D | 90.9 | Very high | 91.2 | Very high | 123 Ų | 123 | 62.6 Ų | 62.6 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | trans | -81.4 | 94.7 | 167.5 | -175.6 | 5.6 | 0 | 0 | 0 | 109.7 | F407 G455 | F407-D453 WeakPolarHBondContact CD2-O 3.48Å; D453-G455 VanDerWaalsContact C-N 3.29Å; D453-G455 PolarHBondContact OD1-N 2.75Å; D453-G455 VanDerWaalsContact OD1-N 3.08Å | ||
| 454 | L | 91.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -92 | 10.4 | 178.8 | -55.1 | 178.1 | 0 | 0 | 0 | 112.4 | V392 R393 F407 M413 L452 V463 | V392-L454 HydrophobicContact CG2-CD2 4.4Å; R393-L454 HydrophobicContact CG-CD1 4.31Å; F407-L454 HydrophobicContact CD2-CD2 4.36Å; F407-L454 HydrophobicContact CE2-CD2 4.39Å; F407-L454 HydrophobicContact CG-CD2 4.47Å; M413-L454 HydrophobicContact CE-CB 4.39Å; M413-L454 HydrophobicContact CE-CD2 3.84Å; L452-L454 HydrophobicContact CB-CD2 3.81Å; L452-L454 HydrophobicContact CB-CG 4.04Å; L452-L454 HydrophobicContact CD1-CD2 4.22Å; L452-L454 PolarHBondContact O-N 3.02Å; L454-V463 HydrophobicContact CB-CB 3.82Å; L454-V463 HydrophobicContact CB-CG1 3.78Å; L454-V463 HydrophobicContact CD1-CG1 3.99Å | ||
| 455 | G | 90.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | 80 | -169.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D453 V463 | D453-G455 VanDerWaalsContact C-N 3.29Å; D453-G455 PolarHBondContact OD1-N 2.75Å; D453-G455 VanDerWaalsContact OD1-N 3.08Å; G455-V463 PolarHBondContact O-N 3.1Å | ||
| 456 | R | 92 | Very high | 91.5 | Very high | 168 Ų | 168 | 67.7 Ų | 67.7 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -128.3 | 128.5 | -172.2 | -158.6 | 175 | -171.6 | -159.8 | -6.1 | 109.9 | A410 G460 L462 | A410-R456 VanDerWaalsContact CB-C 3.42Å; A410-R456 WeakPolarHBondContact CB-O 3.4Å; R456-G460 PolarHBondContact NE-O 2.61Å; R456-G460 PolarHBondContact NH2-O 2.79Å; R456-L462 HydrophobicContact CB-CD2 4.17Å; R456-L462 HydrophobicContact CG-CD2 4.06Å |
| 457 | K | 90.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | trans | -63.7 | 161.2 | 175.8 | -70.1 | -172 | 79.1 | 167 | 0 | 110.7 | A410 D411 N415 E419 N459 G460 T461 V463 | A410-K457 HydrophobicContact CB-CG 4.5Å; D411-K457 WeakPolarHBondContact OD1-CA 3.33Å; D411-K457 VanDerWaalsContact OD1-CB 3.25Å; D411-K457 WeakPolarHBondContact OD1-CB 3.36Å; D411-K457 WeakPolarHBondContact OD1-CE 3.31Å; N415-K457 PolarHBondContact OD1-NZ 2.81Å; E419-K457 IonicContact OE1-NZ 3.83Å; E419-K457 PolarHBondContact OE1-NZ 3.49Å; E419-K457 VanDerWaalsContact OE1-NZ 3.15Å; E419-K457 IonicContact OE2-NZ 3.38Å; E419-K457 PolarHBondContact OE2-NZ 2.95Å; K457-N459 WeakPolarHBondContact CB-OD1 3.36Å; K457-N459 PolarHBondContact O-N 3.22Å; K457-N459 VanDerWaalsContact O-N 3.17Å; K457-G460 WeakPolarHBondContact O-CA 3.14Å; K457-G460 PolarHBondContact O-N 2.92Å; K457-T461 PolarHBondContact N-O 2.89Å; K457-V463 HydrophobicContact CG-CG2 3.98Å | ||
| 458 | Q | 87.9 | Confident | 91.6 | Very high | 170 Ų | 170 | 72.9 Ų | 72.9 | 79% | 0.794 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.8 | 177.1 | -78.7 | 172.7 | 15.4 | 0 | 0 | 113.7 | D411 G460 | D411-Q458 PolarHBondContact OD1-N 3.4Å; D411-Q458 WeakPolarHBondContact OD2-CG 3.36Å; D411-Q458 PolarHBondContact OD2-N 3.27Å; Q458-G460 PolarHBondContact O-N 2.9Å |
| 459 | N | 86.4 | Confident | 91.7 | Very high | 109 Ų | 109 | 71.9 Ų | 71.9 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -0.5 | 175.4 | 68 | -0.8 | 0 | 0 | 0 | 113.8 | K457 T461 | K457-N459 WeakPolarHBondContact CB-OD1 3.36Å; K457-N459 PolarHBondContact O-N 3.22Å; K457-N459 VanDerWaalsContact O-N 3.17Å; N459-T461 PolarHBondContact ND2-OG1 3.14Å; N459-T461 PolarHBondContact OD1-N 2.82Å; N459-T461 PolarHBondContact OD1-OG1 2.98Å |
| 460 | G | 86.2 | Confident | 92 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 82.9 | 6.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R456 K457 Q458 | R456-G460 PolarHBondContact NE-O 2.61Å; R456-G460 PolarHBondContact NH2-O 2.79Å; K457-G460 WeakPolarHBondContact O-CA 3.14Å; K457-G460 PolarHBondContact O-N 2.92Å; Q458-G460 PolarHBondContact O-N 2.9Å |
| 461 | T | 89.9 | Confident | 92.4 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | trans | -81.7 | 135.1 | 172.9 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | K457 N459 | K457-T461 PolarHBondContact N-O 2.89Å; N459-T461 PolarHBondContact ND2-OG1 3.14Å; N459-T461 PolarHBondContact OD1-N 2.82Å; N459-T461 PolarHBondContact OD1-OG1 2.98Å | ||
| 462 | L | 91.1 | Very high | 92.6 | Very high | 133 Ų | 133 | 61.1 Ų | 61.1 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -73.3 | 143.8 | 173.5 | -70.8 | 167.4 | 0 | 0 | 0 | 110.3 | R456 G464 | R456-L462 HydrophobicContact CB-CD2 4.17Å; R456-L462 HydrophobicContact CG-CD2 4.06Å; L462-G464 PolarHBondContact O-N 3.48Å |
| 463 | V | 92.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 65 Ų | 65 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -86.9 | 109.5 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | A410 N415 L454 G455 K457 | A410-V463 HydrophobicContact CB-CG2 3.84Å; N415-V463 HydrophobicContact CB-CG1 4.15Å; L454-V463 HydrophobicContact CB-CB 3.82Å; L454-V463 HydrophobicContact CB-CG1 3.78Å; L454-V463 HydrophobicContact CD1-CG1 3.99Å; G455-V463 PolarHBondContact O-N 3.1Å; K457-V463 HydrophobicContact CG-CG2 3.98Å | ||
| 464 | G | 93.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 63 Ų | 63 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | trans | -121 | -121.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | R393 L462 | R393-G464 VanDerWaalsContact CZ-O 3.23Å; R393-G464 PolarHBondContact NE-O 3.46Å; R393-G464 PolarHBondContact NH2-O 2.98Å; L462-G464 PolarHBondContact O-N 3.48Å | ||
| 465 | D | 95.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -61.5 | 154.1 | 169.3 | -62.8 | -15.6 | 0 | 0 | 0 | 111.1 | E447 N448 | E447-D465 WeakPolarHBondContact CA-OD1 3.48Å; N448-D465 PolarHBondContact N-OD1 3.32Å |
| 466 | V | 96.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 130 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | R393 F414 I417 L446 L468 | R393-V466 VanDerWaalsContact CZ-CG2 3.45Å; F414-V466 HydrophobicContact CD1-CG2 3.81Å; F414-V466 HydrophobicContact CE1-CG1 4.2Å; F414-V466 HydrophobicContact CE1-CG2 3.64Å; F414-V466 HydrophobicContact CE2-CG1 4.02Å; F414-V466 HydrophobicContact CG-CG2 4.42Å; F414-V466 HydrophobicContact CZ-CG1 3.78Å; F414-V466 HydrophobicContact CZ-CG2 4.11Å; I417-V466 HydrophobicContact CD1-CG1 4Å; I417-V466 HydrophobicContact CG1-CG1 4.05Å; L446-V466 HydrophobicContact CB-CB 4.38Å; L446-V466 HydrophobicContact CB-CG2 4.48Å; L446-V466 HydrophobicContact CD2-CB 4.06Å; L446-V466 HydrophobicContact CD2-CG1 4.16Å; L446-V466 HydrophobicContact CD2-CG2 4.09Å; L446-V466 PolarHBondContact O-N 3.42Å; V466-L468 PolarHBondContact O-N 3.09Å |
| 467 | L | 96.5 | Very high | 93.8 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 58% | 0.581 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -68.9 | 118.9 | 174.1 | -60 | 176.4 | 0 | 0 | 0 | 110 | N415 I417 | N415-L467 PolarHBondContact O-N 3.45Å; I417-L467 PolarHBondContact N-O 3.07Å |
| 468 | L | 97.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 157.4 | -179.6 | -56 | 179.5 | 0 | 0 | 0 | 111.2 | I417 L446 V466 A472 A475 F478 | I417-L468 HydrophobicContact CG1-CD2 4.23Å; L446-L468 HydrophobicContact CD1-CD2 4.26Å; V466-L468 PolarHBondContact O-N 3.09Å; L468-A472 HydrophobicContact CB-CB 4.3Å; L468-A475 HydrophobicContact CD1-CB 4.11Å; L468-F478 HydrophobicContact CD1-CB 4.31Å; L468-F478 HydrophobicContact CD2-CB 4.41Å; L468-F478 HydrophobicContact CD2-CD1 4.34Å; L468-F478 HydrophobicContact CD2-CD2 4.41Å; L468-F478 HydrophobicContact CD2-CG 4.13Å |
| 469 | P | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 153.2 | 173.7 | -21.6 | 34 | 0 | 0 | 0 | 112.3 | Y332 I417 W471 A472 F478 | Y332-P469 HydrophobicContact CD1-CB 4.48Å; Y332-P469 HydrophobicContact CD1-CG 3.57Å; Y332-P469 HydrophobicContact CG-CG 4.32Å; I417-P469 HydrophobicContact CB-CG 4.36Å; I417-P469 HydrophobicContact CG2-CG 4.31Å; P469-W471 HydrophobicContact CB-CD2 3.88Å; P469-W471 VanDerWaalsContact CB-CE2 3.46Å; P469-W471 HydrophobicContact CB-CG 4.12Å; P469-W471 HydrophobicContact CB-CZ2 3.89Å; P469-W471 HydrophobicContact CG-CD2 4.49Å; P469-W471 HydrophobicContact CG-CH2 4.21Å; P469-W471 HydrophobicContact CG-CZ2 3.66Å; P469-W471 PolarHBondContact O-N 3.34Å; P469-W471 VanDerWaalsContact O-N 3.09Å; P469-A472 PolarHBondContact O-N 3.13Å; P469-F478 HydrophobicContact CG-CD2 4.28Å; P469-F478 HydrophobicContact CG-CE2 4.05Å |
| 470 | P | 96.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.9 | -177.7 | -24 | 35 | 0 | 0 | 0 | 114.5 | T335 A472 | T335-P470 HydrophobicContact CG2-CB 4.29Å; P470-A472 VanDerWaalsContact C-N 3.3Å |
| 471 | W | 95.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10 | 177.9 | 54.6 | -112.9 | 0 | 0 | 0 | 114.3 | I329 D331 Y332 S334 F337 P469 F478 K481 | I329-W471 HydrophobicContact CD1-CH2 4.25Å; I329-W471 HydrophobicContact CD1-CZ2 4.34Å; I329-W471 HydrophobicContact CG2-CZ2 4.46Å; D331-W471 PolarHBondContact O-NE1 3.39Å; Y332-W471 AromaticContact CD1-CZ2 3.99Å; Y332-W471 HydrophobicContact CD1-CZ2 3.99Å; Y332-W471 HydrophobicContact CE1-CZ2 4.21Å; S334-W471 VanDerWaalsContact O-CD1 3.32Å; F337-W471 HydrophobicContact CB-CB 3.91Å; F337-W471 HydrophobicContact CB-CD2 4.12Å; F337-W471 HydrophobicContact CB-CE3 4.34Å; F337-W471 HydrophobicContact CB-CG 3.96Å; F337-W471 AromaticContact CD2-CD2 3.91Å; F337-W471 HydrophobicContact CD2-CD2 3.91Å; F337-W471 AromaticContact CD2-CE2 3.82Å; F337-W471 HydrophobicContact CD2-CE3 4.29Å; F337-W471 HydrophobicContact CD2-CG 4.25Å; F337-W471 HydrophobicContact CD2-CZ2 4.17Å; F337-W471 HydrophobicContact CE2-CZ2 4.2Å; F337-W471 HydrophobicContact CG-CD2 4.2Å; F337-W471 HydrophobicContact CG-CE3 4.29Å; F337-W471 HydrophobicContact CG-CG 4.47Å; P469-W471 HydrophobicContact CB-CD2 3.88Å; P469-W471 VanDerWaalsContact CB-CE2 3.46Å; P469-W471 HydrophobicContact CB-CG 4.12Å; P469-W471 HydrophobicContact CB-CZ2 3.89Å; P469-W471 HydrophobicContact CG-CD2 4.49Å; P469-W471 HydrophobicContact CG-CH2 4.21Å; P469-W471 HydrophobicContact CG-CZ2 3.66Å; P469-W471 PolarHBondContact O-N 3.34Å; P469-W471 VanDerWaalsContact O-N 3.09Å; W471-F478 AromaticContact CH2-CD2 3.59Å; W471-F478 HydrophobicContact CH2-CD2 3.59Å; W471-F478 AromaticContact CH2-CE2 3.8Å; W471-F478 HydrophobicContact CH2-CE2 3.8Å; W471-F478 HydrophobicContact CZ2-CD2 4.48Å; W471-F478 HydrophobicContact CZ2-CE2 4.41Å; W471-F478 AromaticContact CZ3-CD2 3.9Å; W471-F478 HydrophobicContact CZ3-CD2 3.9Å; W471-K481 HydrophobicContact CE3-CB 4.43Å; W471-K481 HydrophobicContact CE3-CD 3.5Å; W471-K481 VanDerWaalsContact CE3-CD 3.5Å; W471-K481 HydrophobicContact CH2-CB 4.38Å; W471-K481 HydrophobicContact CZ3-CB 3.72Å; W471-K481 HydrophobicContact CZ3-CD 3.6Å; W471-K481 HydrophobicContact CZ3-CG 4.3Å; W471-K481 PolarHBondContact O-NZ 3.27Å |
| 472 | A | 96.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 12% | 0.116 | 27% | 0.266 | C | S | . | . | trans | -99.2 | 128.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L468 P469 P470 D477 F478 | L468-A472 HydrophobicContact CB-CB 4.3Å; P469-A472 PolarHBondContact O-N 3.13Å; P470-A472 VanDerWaalsContact C-N 3.3Å; A472-D477 WeakPolarHBondContact CA-OD2 3.16Å; A472-F478 HydrophobicContact CB-CB 3.88Å; A472-F478 HydrophobicContact CB-CD2 4.28Å | ||
| 473 | S | 94.4 | Very high | 96.2 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -74.8 | -38.5 | 177.8 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | D477 | S473-D477 PolarHBondContact N-OD2 2.88Å; S473-D477 VanDerWaalsContact OG-CB 3.29Å; S473-D477 WeakPolarHBondContact OG-CB 3.39Å; S473-D477 PolarHBondContact OG-OD2 3.14Å |
| 474 | D | 95.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -155.5 | 177.7 | -179.3 | 60.6 | 58.6 | 0 | 0 | 0 | 110.2 | S476 D477 F478 | D474-S476 VanDerWaalsContact C-N 3.28Å; D474-S476 PolarHBondContact O-N 3.24Å; D474-S476 WeakPolarHBondContact OD1-CA 3.36Å; D474-S476 VanDerWaalsContact OD1-CB 3.31Å; D474-S476 WeakPolarHBondContact OD1-CB 3.42Å; D474-S476 PolarHBondContact OD1-N 3.15Å; D474-D477 PolarHBondContact O-N 2.9Å; D474-D477 PolarHBondContact OD1-N 3.34Å; D474-F478 WeakPolarHBondContact O-CB 3.14Å; D474-F478 PolarHBondContact O-N 3.42Å |
| 475 | A | 96.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -26.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L446 E447 L468 L479 | L446-A475 HydrophobicContact CB-CB 4.12Å; L446-A475 HydrophobicContact CD1-CB 3.99Å; E447-A475 HydrophobicContact CG-CB 4.36Å; L468-A475 HydrophobicContact CD1-CB 4.11Å; A475-L479 WeakPolarHBondContact O-CG 3.49Å; A475-L479 PolarHBondContact O-N 3.07Å |
| 476 | S | 96.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.7 | -43.7 | 175.7 | -174 | 0 | 0 | 0 | 0 | 111.4 | D474 F478 L479 K480 | D474-S476 VanDerWaalsContact C-N 3.28Å; D474-S476 PolarHBondContact O-N 3.24Å; D474-S476 WeakPolarHBondContact OD1-CA 3.36Å; D474-S476 VanDerWaalsContact OD1-CB 3.31Å; D474-S476 WeakPolarHBondContact OD1-CB 3.42Å; D474-S476 PolarHBondContact OD1-N 3.15Å; S476-F478 VanDerWaalsContact C-N 3.31Å; S476-L479 PolarHBondContact O-N 3.05Å; S476-K480 WeakPolarHBondContact O-CG 3.34Å; S476-K480 PolarHBondContact O-N 3.02Å |
| 477 | D | 96.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.6 | 179.2 | 52.8 | 0 | 0 | 0 | 111.6 | A472 S473 D474 L479 K480 K481 | A472-D477 WeakPolarHBondContact CA-OD2 3.16Å; S473-D477 PolarHBondContact N-OD2 2.88Å; S473-D477 VanDerWaalsContact OG-CB 3.29Å; S473-D477 WeakPolarHBondContact OG-CB 3.39Å; S473-D477 PolarHBondContact OG-OD2 3.14Å; D474-D477 PolarHBondContact O-N 2.9Å; D474-D477 PolarHBondContact OD1-N 3.34Å; D477-L479 PolarHBondContact O-N 2.85Å; D477-K480 PolarHBondContact O-N 2.59Å; D477-K481 WeakPolarHBondContact O-CG 3.41Å; D477-K481 PolarHBondContact O-N 2.81Å; D477-K481 WeakPolarHBondContact OD1-CE 3.5Å; D477-K481 IonicContact OD1-NZ 3.54Å; D477-K481 PolarHBondContact OD1-NZ 2.76Å; D477-K481 WeakPolarHBondContact OD2-CE 3.33Å; D477-K481 IonicContact OD2-NZ 3.42Å; D477-K481 PolarHBondContact OD2-NZ 3.38Å |
| 478 | F | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.6 | -52 | 172.4 | 173.9 | -101.8 | 0 | 0 | 0 | 112.4 | Y332 I417 F438 L446 L468 P469 W471 A472 D474 S476 K480 K481 H482 | Y332-F478 HydrophobicContact CE1-CE2 4.49Å; I417-F478 HydrophobicContact CD1-CE1 4.16Å; I417-F478 HydrophobicContact CD1-CE2 4.46Å; I417-F478 HydrophobicContact CD1-CZ 3.73Å; I417-F478 HydrophobicContact CG1-CE1 4.5Å; I417-F478 HydrophobicContact CG1-CE2 4.06Å; I417-F478 HydrophobicContact CG1-CZ 3.82Å; I417-F478 HydrophobicContact CG2-CE2 4.11Å; I417-F478 HydrophobicContact CG2-CZ 4.06Å; F438-F478 HydrophobicContact CD1-CE1 4.03Å; F438-F478 HydrophobicContact CD1-CZ 4.28Å; F438-F478 HydrophobicContact CE1-CE1 4.28Å; F438-F478 HydrophobicContact CE1-CZ 4.41Å; L446-F478 HydrophobicContact CD1-CD1 3.63Å; L446-F478 HydrophobicContact CD1-CE1 3.98Å; L468-F478 HydrophobicContact CD1-CB 4.31Å; L468-F478 HydrophobicContact CD2-CB 4.41Å; L468-F478 HydrophobicContact CD2-CD1 4.34Å; L468-F478 HydrophobicContact CD2-CD2 4.41Å; L468-F478 HydrophobicContact CD2-CG 4.13Å; P469-F478 HydrophobicContact CG-CD2 4.28Å; P469-F478 HydrophobicContact CG-CE2 4.05Å; W471-F478 AromaticContact CH2-CD2 3.59Å; W471-F478 HydrophobicContact CH2-CD2 3.59Å; W471-F478 AromaticContact CH2-CE2 3.8Å; W471-F478 HydrophobicContact CH2-CE2 3.8Å; W471-F478 HydrophobicContact CZ2-CD2 4.48Å; W471-F478 HydrophobicContact CZ2-CE2 4.41Å; W471-F478 AromaticContact CZ3-CD2 3.9Å; W471-F478 HydrophobicContact CZ3-CD2 3.9Å; A472-F478 HydrophobicContact CB-CB 3.88Å; A472-F478 HydrophobicContact CB-CD2 4.28Å; D474-F478 WeakPolarHBondContact O-CB 3.14Å; D474-F478 PolarHBondContact O-N 3.42Å; S476-F478 VanDerWaalsContact C-N 3.31Å; F478-K480 PolarHBondContact O-N 2.73Å; F478-K481 PolarHBondContact O-N 2.79Å; F478-H482 AromaticContact CD2-CD2 3.94Å; F478-H482 AromaticContact CE1-CD2 3.83Å; F478-H482 AromaticContact CE1-NE2 3.95Å; F478-H482 AromaticContact CE2-CD2 3.41Å; F478-H482 VanDerWaalsContact CE2-CD2 3.41Å; F478-H482 WeakPolarHBondContact CE2-CD2 3.31Å; F478-H482 AromaticContact CE2-NE2 3.24Å; F478-H482 WeakPolarHBondContact CE2-NE2 3.4Å; F478-H482 AromaticContact CZ-CD2 3.36Å; F478-H482 WeakPolarHBondContact CZ-CD2 3.44Å; F478-H482 AromaticContact CZ-CE1 3.93Å; F478-H482 AromaticContact CZ-NE2 3.08Å; F478-H482 WeakPolarHBondContact CZ-NE2 3.13Å; F478-H482 PolarHBondContact O-N 2.78Å |
| 479 | L | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 179.5 | -67.3 | -176.1 | 0 | 0 | 0 | 112.6 | F438 F445 L446 A475 S476 D477 K481 H482 R483 | F438-L479 WeakPolarHBondContact O-CD2 3.46Å; F445-L479 HydrophobicContact CE1-CD1 4.34Å; F445-L479 HydrophobicContact CE1-CD2 4.16Å; F445-L479 HydrophobicContact CZ-CD2 4.08Å; L446-L479 HydrophobicContact CD1-CD2 4.35Å; A475-L479 WeakPolarHBondContact O-CG 3.49Å; A475-L479 PolarHBondContact O-N 3.07Å; S476-L479 PolarHBondContact O-N 3.05Å; D477-L479 PolarHBondContact O-N 2.85Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.42Å; L479-H482 PolarHBondContact O-N 3.11Å; L479-R483 WeakPolarHBondContact O-CB 3.4Å; L479-R483 PolarHBondContact O-N 2.9Å |
| 480 | K | 96.7 | Very high | 96.1 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 174.8 | -73.7 | 171.1 | -173.1 | 167.4 | 0 | 111.2 | S476 D477 F478 R483 L484 | S476-K480 WeakPolarHBondContact O-CG 3.34Å; S476-K480 PolarHBondContact O-N 3.02Å; D477-K480 PolarHBondContact O-N 2.59Å; F478-K480 PolarHBondContact O-N 2.73Å; K480-R483 PolarHBondContact O-N 2.94Å; K480-L484 WeakPolarHBondContact O-CB 3.28Å; K480-L484 VanDerWaalsContact O-CG 3.28Å; K480-L484 WeakPolarHBondContact O-CG 3.41Å; K480-L484 PolarHBondContact O-N 3.16Å |
| 481 | K | 96.9 | Very high | 96.1 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.4 | -75.9 | 172.3 | 178.2 | 156.4 | 0 | 112.5 | F337 W471 D477 F478 L479 R483 L484 A485 | F337-K481 HydrophobicContact CB-CD 4.49Å; F337-K481 HydrophobicContact CD1-CB 4.08Å; F337-K481 HydrophobicContact CD1-CD 4.05Å; F337-K481 HydrophobicContact CD1-CG 3.99Å; F337-K481 HydrophobicContact CE1-CB 3.87Å; F337-K481 HydrophobicContact CE1-CG 4.23Å; F337-K481 HydrophobicContact CG-CD 4.39Å; F337-K481 HydrophobicContact CZ-CB 4.49Å; W471-K481 HydrophobicContact CE3-CB 4.43Å; W471-K481 HydrophobicContact CE3-CD 3.5Å; W471-K481 VanDerWaalsContact CE3-CD 3.5Å; W471-K481 HydrophobicContact CH2-CB 4.38Å; W471-K481 HydrophobicContact CZ3-CB 3.72Å; W471-K481 HydrophobicContact CZ3-CD 3.6Å; W471-K481 HydrophobicContact CZ3-CG 4.3Å; W471-K481 PolarHBondContact O-NZ 3.27Å; D477-K481 WeakPolarHBondContact O-CG 3.41Å; D477-K481 PolarHBondContact O-N 2.81Å; D477-K481 WeakPolarHBondContact OD1-CE 3.5Å; D477-K481 IonicContact OD1-NZ 3.54Å; D477-K481 PolarHBondContact OD1-NZ 2.76Å; D477-K481 WeakPolarHBondContact OD2-CE 3.33Å; D477-K481 IonicContact OD2-NZ 3.42Å; D477-K481 PolarHBondContact OD2-NZ 3.38Å; F478-K481 PolarHBondContact O-N 2.79Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.42Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 3.47Å; K481-L484 PolarHBondContact O-N 3.31Å; K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 3.11Å |
| 482 | H | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 170.1 | -97.5 | -103.9 | 0 | 0 | 0 | 111.8 | Y332 F438 Y439 F478 L479 A485 L486 | Y332-H482 AromaticContact CE1-NE2 3.67Å; F438-H482 WeakPolarHBondContact O-CB 3.45Å; Y439-H482 HydrophobicContact CD1-CB 4.02Å; Y439-H482 WeakPolarHBondContact CD1-O 3.49Å; Y439-H482 HydrophobicContact CE1-CB 4.06Å; Y439-H482 AromaticContact CE1-ND1 3.82Å; Y439-H482 WeakPolarHBondContact CE1-O 3.36Å; F478-H482 AromaticContact CD2-CD2 3.94Å; F478-H482 AromaticContact CE1-CD2 3.83Å; F478-H482 AromaticContact CE1-NE2 3.95Å; F478-H482 AromaticContact CE2-CD2 3.41Å; F478-H482 VanDerWaalsContact CE2-CD2 3.41Å; F478-H482 WeakPolarHBondContact CE2-CD2 3.31Å; F478-H482 AromaticContact CE2-NE2 3.24Å; F478-H482 WeakPolarHBondContact CE2-NE2 3.4Å; F478-H482 AromaticContact CZ-CD2 3.36Å; F478-H482 WeakPolarHBondContact CZ-CD2 3.44Å; F478-H482 AromaticContact CZ-CE1 3.93Å; F478-H482 AromaticContact CZ-NE2 3.08Å; F478-H482 WeakPolarHBondContact CZ-NE2 3.13Å; F478-H482 PolarHBondContact O-N 2.78Å; L479-H482 PolarHBondContact O-N 3.11Å; H482-A485 PolarHBondContact O-N 2.97Å; H482-L486 PolarHBondContact O-N 3.34Å |
| 483 | R | 97.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.9 | -175.5 | 52.9 | -179.7 | -106.1 | 0.1 | 112.1 | S300 Y302 Y439 L479 K480 K481 A485 L486 E487 | S300-R483 PolarHBondContact OG-NH2 2.99Å; Y302-R483 VanDerWaalsContact CB-NH1 3.31Å; Y439-R483 PolarHBondContact O-NH1 2.91Å; Y439-R483 VanDerWaalsContact O-NH1 3.14Å; L479-R483 WeakPolarHBondContact O-CB 3.4Å; L479-R483 PolarHBondContact O-N 2.9Å; K480-R483 PolarHBondContact O-N 2.94Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 3.47Å; R483-A485 VanDerWaalsContact C-N 3.3Å; R483-A485 PolarHBondContact O-N 3.15Å; R483-L486 PolarHBondContact O-N 2.73Å; R483-E487 IonicContact CZ-OE1 3.1Å; R483-E487 IonicContact NE-OE1 2.72Å; R483-E487 PolarHBondContact NE-OE1 3.42Å; R483-E487 IonicContact NH2-OE1 3.39Å; R483-E487 PolarHBondContact NH2-OE1 3.13Å; R483-E487 WeakPolarHBondContact O-CG 3.45Å; R483-E487 PolarHBondContact O-N 3.44Å |
| 484 | L | 96.9 | Very high | 95.8 | Very high | 107 Ų | 107 | 40.4 Ų | 40.4 | 56% | 0.56 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.1 | -39.2 | 174.6 | -72.6 | 170.5 | 0 | 0 | 0 | 112.1 | L339 K480 K481 E487 S488 | L339-L484 HydrophobicContact CD1-CB 4.31Å; K480-L484 WeakPolarHBondContact O-CB 3.28Å; K480-L484 VanDerWaalsContact O-CG 3.28Å; K480-L484 WeakPolarHBondContact O-CG 3.41Å; K480-L484 PolarHBondContact O-N 3.16Å; K481-L484 PolarHBondContact O-N 3.31Å; L484-E487 PolarHBondContact O-N 3.34Å; L484-S488 PolarHBondContact O-N 3.42Å |
| 485 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V328 I329 F337 L339 F345 K481 H482 R483 E487 S488 V491 | V328-A485 HydrophobicContact CG1-CB 3.84Å; I329-A485 HydrophobicContact CD1-CB 3.83Å; I329-A485 HydrophobicContact CG1-CB 3.7Å; F337-A485 HydrophobicContact CZ-CB 4.09Å; L339-A485 HydrophobicContact CD2-CB 3.92Å; F345-A485 HydrophobicContact CE1-CB 4.34Å; K481-A485 WeakPolarHBondContact O-CB 3.35Å; K481-A485 PolarHBondContact O-N 3.11Å; H482-A485 PolarHBondContact O-N 2.97Å; R483-A485 VanDerWaalsContact C-N 3.3Å; R483-A485 PolarHBondContact O-N 3.15Å; A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 3.38Å; A485-S488 WeakPolarHBondContact O-CB 3.47Å; A485-S488 PolarHBondContact O-N 3.48Å; A485-S488 VanDerWaalsContact O-N 3.13Å; A485-S488 PolarHBondContact O-OG 3.2Å; A485-V491 WeakPolarHBondContact O-CG2 3.49Å |
| 486 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.9 | 178.8 | 65.8 | 0 | 0 | 0 | 112.3 | N301 Y302 L305 F325 V328 Y439 H482 R483 S488 V491 | N301-L486 HydrophobicContact CB-CD1 4.37Å; N301-L486 HydrophobicContact CB-CG 4.18Å; N301-L486 PolarHBondContact ND2-O 2.94Å; Y302-L486 HydrophobicContact CD2-CD2 4.11Å; Y302-L486 HydrophobicContact CG-CD2 4.49Å; L305-L486 HydrophobicContact CD1-CD1 4.02Å; F325-L486 HydrophobicContact CD1-CD2 4.31Å; F325-L486 HydrophobicContact CE1-CD2 4.16Å; V328-L486 HydrophobicContact CG2-CD1 3.92Å; Y439-L486 HydrophobicContact CD1-CB 3.63Å; Y439-L486 HydrophobicContact CD1-CD2 3.63Å; Y439-L486 HydrophobicContact CD1-CG 4.19Å; Y439-L486 HydrophobicContact CD2-CD2 4.25Å; Y439-L486 HydrophobicContact CE1-CB 3.68Å; Y439-L486 HydrophobicContact CE1-CD2 4.17Å; Y439-L486 HydrophobicContact CE1-CG 4.34Å; Y439-L486 HydrophobicContact CG-CD2 3.67Å; H482-L486 PolarHBondContact O-N 3.34Å; R483-L486 PolarHBondContact O-N 2.73Å; L486-S488 VanDerWaalsContact C-N 3.28Å; L486-V491 HydrophobicContact CD1-CG1 4.18Å; L486-V491 WeakPolarHBondContact O-CB 3.25Å; L486-V491 VanDerWaalsContact O-CG1 3.26Å; L486-V491 WeakPolarHBondContact O-CG1 3.19Å |
| 487 | E | 96.4 | Very high | 96 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.5 | 178.7 | -57.6 | -58.1 | 162.5 | 0 | 0 | 113.4 | S300 N301 Y302 R483 L484 A485 | S300-E487 WeakPolarHBondContact CB-OE1 3.37Å; S300-E487 WeakPolarHBondContact CB-OE2 3.26Å; N301-E487 WeakPolarHBondContact CB-OE2 3.33Å; N301-E487 PolarHBondContact N-OE1 2.97Å; N301-E487 PolarHBondContact N-OE2 3Å; Y302-E487 WeakPolarHBondContact CB-OE1 3.37Å; Y302-E487 PolarHBondContact N-OE1 3.24Å; R483-E487 IonicContact CZ-OE1 3.1Å; R483-E487 IonicContact NE-OE1 2.72Å; R483-E487 PolarHBondContact NE-OE1 3.42Å; R483-E487 IonicContact NH2-OE1 3.39Å; R483-E487 PolarHBondContact NH2-OE1 3.13Å; R483-E487 WeakPolarHBondContact O-CG 3.45Å; R483-E487 PolarHBondContact O-N 3.44Å; L484-E487 PolarHBondContact O-N 3.34Å; A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 3.38Å |
| 488 | S | 94.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -65.1 | 161.8 | 179.7 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | F345 L484 A485 L486 V491 S492 | F345-S488 WeakPolarHBondContact CE1-OG 3.5Å; L484-S488 PolarHBondContact O-N 3.42Å; A485-S488 WeakPolarHBondContact O-CB 3.47Å; A485-S488 PolarHBondContact O-N 3.48Å; A485-S488 VanDerWaalsContact O-N 3.13Å; A485-S488 PolarHBondContact O-OG 3.2Å; L486-S488 VanDerWaalsContact C-N 3.28Å; S488-V491 PolarHBondContact O-N 3.5Å; S488-V491 WeakPolarHBondContact OG-CG2 3.36Å; S488-V491 PolarHBondContact OG-N 3.3Å; S488-S492 WeakPolarHBondContact O-CB 3.43Å; S488-S492 PolarHBondContact O-N 3.03Å; S488-S492 PolarHBondContact O-OG 2.65Å |
| 489 | Q | 90.3 | Very high | 96.1 | Very high | 105 Ų | 105 | 35.6 Ų | 35.6 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.2 | -175.8 | 174.4 | -7.8 | 0 | 0 | 111.6 | V491 S492 E493 | Q489-V491 PolarHBondContact O-N 3.49Å; Q489-S492 WeakPolarHBondContact O-CB 3.45Å; Q489-S492 PolarHBondContact O-N 3.26Å; Q489-E493 HydrophobicContact CG-CG 4.45Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.41Å; Q489-E493 PolarHBondContact NE2-OE1 3.13Å; Q489-E493 WeakPolarHBondContact O-CG 3.46Å; Q489-E493 PolarHBondContact O-N 3.15Å |
| 490 | Y | 93.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 26% | 0.259 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -54.9 | -50.8 | 177.9 | -177.6 | -87.6 | 0 | 0 | 0 | 111.3 | F345 S492 E493 H494 | F345-Y490 HydrophobicContact CB-CD1 3.51Å; F345-Y490 HydrophobicContact CB-CE1 3.28Å; F345-Y490 HydrophobicContact CB-CG 4.36Å; F345-Y490 AromaticContact CD1-CD1 3.74Å; F345-Y490 HydrophobicContact CD1-CD1 3.74Å; F345-Y490 HydrophobicContact CD1-CE1 4.39Å; F345-Y490 HydrophobicContact CD1-CG 4.39Å; F345-Y490 AromaticContact CD2-CD1 3.77Å; F345-Y490 HydrophobicContact CD2-CD1 3.77Å; F345-Y490 HydrophobicContact CD2-CD2 4.33Å; F345-Y490 HydrophobicContact CD2-CE1 4.25Å; F345-Y490 AromaticContact CD2-CG 3.82Å; F345-Y490 HydrophobicContact CD2-CG 3.82Å; F345-Y490 HydrophobicContact CE1-CD1 4.38Å; F345-Y490 HydrophobicContact CE2-CD1 4.41Å; F345-Y490 HydrophobicContact CE2-CG 4.16Å; F345-Y490 AromaticContact CG-CD1 3.39Å; F345-Y490 HydrophobicContact CG-CD1 3.39Å; F345-Y490 AromaticContact CG-CE1 3.75Å; F345-Y490 HydrophobicContact CG-CE1 3.75Å; F345-Y490 AromaticContact CG-CG 3.94Å; F345-Y490 HydrophobicContact CG-CG 3.94Å; Y490-S492 PolarHBondContact O-N 2.86Å; Y490-E493 PolarHBondContact O-N 3.19Å; Y490-H494 AromaticContact CE2-CD2 3.94Å; Y490-H494 AromaticContact CZ-CD2 3.94Å; Y490-H494 PolarHBondContact O-CD2 3.06Å; Y490-H494 VanDerWaalsContact O-CD2 3.28Å; Y490-H494 PolarHBondContact O-N 3.32Å; Y490-H494 VanDerWaalsContact O-N 3.13Å |
| 491 | V | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 179 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | V328 F345 L348 A485 L486 S488 Q489 E493 H494 L495 | V328-V491 HydrophobicContact CG1-CG2 3.44Å; V328-V491 VanDerWaalsContact CG1-CG2 3.44Å; V328-V491 HydrophobicContact CG2-CG1 4.5Å; V328-V491 HydrophobicContact CG2-CG2 4.3Å; F345-V491 HydrophobicContact CD1-CG2 3.95Å; F345-V491 HydrophobicContact CE1-CG2 4.04Å; L348-V491 HydrophobicContact CD1-CG1 4.06Å; L348-V491 HydrophobicContact CD1-CG2 4.43Å; A485-V491 WeakPolarHBondContact O-CG2 3.49Å; L486-V491 HydrophobicContact CD1-CG1 4.18Å; L486-V491 WeakPolarHBondContact O-CB 3.25Å; L486-V491 VanDerWaalsContact O-CG1 3.26Å; L486-V491 WeakPolarHBondContact O-CG1 3.19Å; S488-V491 PolarHBondContact O-N 3.5Å; S488-V491 WeakPolarHBondContact OG-CG2 3.36Å; S488-V491 PolarHBondContact OG-N 3.3Å; Q489-V491 PolarHBondContact O-N 3.49Å; V491-E493 PolarHBondContact O-N 2.81Å; V491-H494 PolarHBondContact O-N 3.42Å; V491-H494 VanDerWaalsContact O-N 3.1Å; V491-L495 HydrophobicContact CG1-CB 4.14Å; V491-L495 HydrophobicContact CG1-CD1 4.33Å; V491-L495 WeakPolarHBondContact O-CA 3.4Å; V491-L495 WeakPolarHBondContact O-CB 3.3Å; V491-L495 PolarHBondContact O-N 3.37Å |
| 492 | S | 93.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57 | -35.5 | 176.4 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | N301 S488 Q489 Y490 R564 | N301-S492 PolarHBondContact ND2-OG 3.36Å; S488-S492 WeakPolarHBondContact O-CB 3.43Å; S488-S492 PolarHBondContact O-N 3.03Å; S488-S492 PolarHBondContact O-OG 2.65Å; Q489-S492 WeakPolarHBondContact O-CB 3.45Å; Q489-S492 PolarHBondContact O-N 3.26Å; Y490-S492 PolarHBondContact O-N 2.86Å; S492-R564 WeakPolarHBondContact O-CB 3.44Å; S492-R564 PolarHBondContact OG-NH1 3.37Å |
| 493 | E | 92.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -75.8 | -30.3 | 177.6 | -71.5 | 175.4 | -172.3 | 0 | 0 | 112.7 | Q489 Y490 V491 H496 Q563 T566 | Q489-E493 HydrophobicContact CG-CG 4.45Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.41Å; Q489-E493 PolarHBondContact NE2-OE1 3.13Å; Q489-E493 WeakPolarHBondContact O-CG 3.46Å; Q489-E493 PolarHBondContact O-N 3.15Å; Y490-E493 PolarHBondContact O-N 3.19Å; V491-E493 PolarHBondContact O-N 2.81Å; E493-H496 PolarHBondContact O-CE1 2.93Å; E493-H496 PolarHBondContact O-ND1 3.43Å; E493-Q563 WeakPolarHBondContact O-CG 3.1Å; E493-Q563 PolarHBondContact O-NE2 3.1Å; E493-T566 HydrophobicContact CG-CG2 3.84Å; E493-T566 PolarHBondContact OE1-OG1 2.98Å; E493-T566 VanDerWaalsContact OE1-OG1 3.07Å |
| 494 | H | 95.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 23% | 0.227 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -111.6 | -7.4 | -173.7 | -67.6 | -71.8 | 0 | 0 | 0 | 115.6 | L348 Y490 V491 H496 E497 | L348-H494 HydrophobicContact CB-CB 4.32Å; L348-H494 HydrophobicContact CD1-CB 4.1Å; Y490-H494 AromaticContact CE2-CD2 3.94Å; Y490-H494 AromaticContact CZ-CD2 3.94Å; Y490-H494 PolarHBondContact O-CD2 3.06Å; Y490-H494 VanDerWaalsContact O-CD2 3.28Å; Y490-H494 PolarHBondContact O-N 3.32Å; Y490-H494 VanDerWaalsContact O-N 3.13Å; V491-H494 PolarHBondContact O-N 3.42Å; V491-H494 VanDerWaalsContact O-N 3.1Å; H494-H496 VanDerWaalsContact C-N 3.25Å; H494-H496 PolarHBondContact O-N 3.3Å; H494-E497 IonicContact CE1-OE1 3.74Å; H494-E497 IonicContact CG-OE2 2.67Å; H494-E497 IonicContact ND1-OE1 3.29Å; H494-E497 PolarHBondContact ND1-OE1 2.99Å; H494-E497 IonicContact ND1-OE2 3.74Å; H494-E497 PolarHBondContact ND1-OE2 2.84Å; H494-E497 WeakPolarHBondContact O-CB 3.49Å; H494-E497 WeakPolarHBondContact O-CG 3.41Å; H494-E497 PolarHBondContact O-N 2.8Å |
| 495 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.7 | -30.7 | -174.5 | -176 | 62.1 | 0 | 0 | 0 | 113.5 | W294 N301 L305 P326 V491 E497 W498 I499 | W294-L495 HydrophobicContact CZ2-CB 4.23Å; W294-L495 HydrophobicContact CZ2-CD2 4.1Å; W294-L495 HydrophobicContact CZ2-CG 4.47Å; N301-L495 HydrophobicContact CB-CD2 3.74Å; L305-L495 HydrophobicContact CD1-CD1 4.27Å; L305-L495 HydrophobicContact CD1-CD2 4.3Å; L305-L495 HydrophobicContact CD2-CD1 4.33Å; L305-L495 HydrophobicContact CD2-CD2 4.48Å; L305-L495 HydrophobicContact CG-CD2 4.24Å; P326-L495 HydrophobicContact CG-CD1 4.13Å; V491-L495 HydrophobicContact CG1-CB 4.14Å; V491-L495 HydrophobicContact CG1-CD1 4.33Å; V491-L495 WeakPolarHBondContact O-CA 3.4Å; V491-L495 WeakPolarHBondContact O-CB 3.3Å; V491-L495 PolarHBondContact O-N 3.37Å; L495-E497 PolarHBondContact O-N 2.99Å; L495-W498 HydrophobicContact CD1-CE3 4.41Å; L495-W498 PolarHBondContact O-N 3.48Å; L495-W498 VanDerWaalsContact O-N 3.16Å; L495-I499 HydrophobicContact CG-CD1 4.05Å; L495-I499 HydrophobicContact CG-CG1 4.43Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 2.86Å |
| 496 | H | 96.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 24 Ų | 24 | 13% | 0.13 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.4 | -34 | 175.6 | 69.4 | -74.3 | 0 | 0 | 0 | 112.5 | W294 E493 H494 I499 D500 H561 P562 | W294-H496 HydrophobicContact CH2-CB 4.21Å; E493-H496 PolarHBondContact O-CE1 2.93Å; E493-H496 PolarHBondContact O-ND1 3.43Å; H494-H496 VanDerWaalsContact C-N 3.25Å; H494-H496 PolarHBondContact O-N 3.3Å; H496-I499 WeakPolarHBondContact O-CB 3.34Å; H496-I499 PolarHBondContact O-N 2.89Å; H496-D500 PolarHBondContact O-N 2.96Å; H496-H561 HydrophobicContact CB-CB 4.15Å; H496-H561 PolarHBondContact CD2-O 3.26Å; H496-P562 WeakPolarHBondContact CB-O 3.26Å |
| 497 | E | 97.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 24 Ų | 24 | 19% | 0.187 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.5 | -37.3 | 178.9 | -52.3 | 166.7 | 173.4 | 0 | 0 | 111.7 | S349 H494 L495 D500 L501 | S349-E497 WeakPolarHBondContact CB-OE2 3.17Å; S349-E497 PolarHBondContact N-OE2 3.22Å; H494-E497 IonicContact CE1-OE1 3.74Å; H494-E497 IonicContact CG-OE2 2.67Å; H494-E497 IonicContact ND1-OE1 3.29Å; H494-E497 PolarHBondContact ND1-OE1 2.99Å; H494-E497 IonicContact ND1-OE2 3.74Å; H494-E497 PolarHBondContact ND1-OE2 2.84Å; H494-E497 WeakPolarHBondContact O-CB 3.49Å; H494-E497 WeakPolarHBondContact O-CG 3.41Å; H494-E497 PolarHBondContact O-N 2.8Å; L495-E497 PolarHBondContact O-N 2.99Å; E497-D500 WeakPolarHBondContact O-CB 3.42Å; E497-D500 PolarHBondContact O-N 3.5Å; E497-L501 PolarHBondContact O-N 3.47Å |
| 498 | W | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.9 | -37 | 174 | -177.1 | 86 | 0 | 0 | 0 | 111.4 | L305 V324 P326 L348 E433 L495 D500 L501 V502 F503 | L305-W498 HydrophobicContact CD2-CE3 4.11Å; L305-W498 HydrophobicContact CD2-CZ3 3.61Å; V324-W498 HydrophobicContact CG1-CH2 4.28Å; V324-W498 HydrophobicContact CG1-CZ2 4.13Å; P326-W498 HydrophobicContact CB-CD2 3.78Å; P326-W498 HydrophobicContact CB-CE3 4.43Å; P326-W498 HydrophobicContact CB-CG 4Å; P326-W498 HydrophobicContact CB-CZ2 3.96Å; P326-W498 HydrophobicContact CG-CD2 4.08Å; P326-W498 HydrophobicContact CG-CE3 4.25Å; P326-W498 HydrophobicContact CG-CZ2 4.37Å; P326-W498 HydrophobicContact CG-CZ3 4.49Å; L348-W498 HydrophobicContact CB-CB 4.11Å; L348-W498 HydrophobicContact CD2-CB 4.1Å; L348-W498 HydrophobicContact CD2-CG 4.3Å; L348-W498 VanDerWaalsContact O-CA 3.31Å; L348-W498 WeakPolarHBondContact O-CA 3.41Å; L348-W498 WeakPolarHBondContact O-CB 3.4Å; L348-W498 PolarHBondContact O-N 3.07Å; E433-W498 PolarHBondContact OE1-NE1 2.77Å; L495-W498 HydrophobicContact CD1-CE3 4.41Å; L495-W498 PolarHBondContact O-N 3.48Å; L495-W498 VanDerWaalsContact O-N 3.16Å; W498-D500 PolarHBondContact O-N 3.24Å; W498-L501 WeakPolarHBondContact O-CB 3.44Å; W498-L501 PolarHBondContact O-N 3.22Å; W498-L501 VanDerWaalsContact O-N 3.14Å; W498-V502 HydrophobicContact CD2-CG2 4.02Å; W498-V502 HydrophobicContact CE3-CG2 4.33Å; W498-V502 HydrophobicContact CH2-CB 4.25Å; W498-V502 HydrophobicContact CH2-CG1 4.22Å; W498-V502 HydrophobicContact CH2-CG2 3.91Å; W498-V502 HydrophobicContact CZ2-CB 4.41Å; W498-V502 HydrophobicContact CZ2-CG2 3.57Å; W498-V502 HydrophobicContact CZ3-CB 4.34Å; W498-V502 HydrophobicContact CZ3-CG2 4.26Å; W498-V502 PolarHBondContact O-N 3.14Å; W498-V502 VanDerWaalsContact O-N 3.13Å; W498-F503 HydrophobicContact CH2-CE2 4.38Å; W498-F503 AromaticContact CZ3-CE2 3.94Å; W498-F503 HydrophobicContact CZ3-CE2 3.94Å |
| 499 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 173.9 | -66.6 | 164.4 | 0 | 0 | 0 | 110.1 | W294 Y304 L305 L308 L495 H496 L501 V502 F503 G504 F557 H561 | W294-I499 HydrophobicContact CH2-CD1 4.45Å; Y304-I499 HydrophobicContact CD1-CD1 4.11Å; Y304-I499 HydrophobicContact CE1-CD1 3.69Å; L305-I499 HydrophobicContact CD2-CG1 4.34Å; L308-I499 HydrophobicContact CD1-CD1 3.81Å; L308-I499 HydrophobicContact CD1-CG1 3.94Å; L308-I499 HydrophobicContact CD1-CG2 3.8Å; L495-I499 HydrophobicContact CG-CD1 4.05Å; L495-I499 HydrophobicContact CG-CG1 4.43Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 2.86Å; H496-I499 WeakPolarHBondContact O-CB 3.34Å; H496-I499 PolarHBondContact O-N 2.89Å; I499-L501 VanDerWaalsContact C-N 3.29Å; I499-L501 PolarHBondContact O-N 3.06Å; I499-V502 PolarHBondContact O-N 3.37Å; I499-F503 HydrophobicContact CG2-CB 4.24Å; I499-F503 HydrophobicContact CG2-CD2 4.24Å; I499-F503 CarbonylContact O-C 3.59Å; I499-F503 WeakPolarHBondContact O-CA 3.49Å; I499-F503 PolarHBondContact O-N 3.44Å; I499-G504 PolarHBondContact O-N 2.96Å; I499-F557 HydrophobicContact CG2-CD2 4.35Å; I499-F557 HydrophobicContact CG2-CE2 4.23Å; I499-H561 HydrophobicContact CG2-CB 4.37Å; I499-H561 WeakPolarHBondContact CG2-CD2 3.36Å |
| 500 | D | 98 | Very high | 96 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 174.8 | -76.6 | -35.1 | 0 | 0 | 0 | 113.4 | H496 E497 W498 G504 F505 K506 Q507 H561 | H496-D500 PolarHBondContact O-N 2.96Å; E497-D500 WeakPolarHBondContact O-CB 3.42Å; E497-D500 PolarHBondContact O-N 3.5Å; W498-D500 PolarHBondContact O-N 3.24Å; D500-G504 CarbonylContact O-C 3.09Å; D500-G504 WeakPolarHBondContact O-CA 3.37Å; D500-G504 PolarHBondContact O-N 3.34Å; D500-F505 HydrophobicContact CB-CD1 4.06Å; D500-F505 HydrophobicContact CB-CE1 3.97Å; D500-F505 VanDerWaalsContact CG-CE1 3.47Å; D500-F505 WeakPolarHBondContact OD1-CD1 3.45Å; D500-F505 WeakPolarHBondContact OD2-CE1 3.47Å; D500-K506 HydrophobicContact CB-CB 4.41Å; D500-K506 HydrophobicContact CB-CD 4.01Å; D500-K506 HydrophobicContact CB-CG 4.15Å; D500-K506 CarbonylContact O-C 3.49Å; D500-K506 WeakPolarHBondContact O-CA 3.39Å; D500-K506 WeakPolarHBondContact O-CB 3.28Å; D500-K506 PolarHBondContact O-N 2.86Å; D500-Q507 PolarHBondContact O-N 2.82Å; D500-H561 WeakPolarHBondContact OD1-CB 3.48Å; D500-H561 PolarHBondContact OD1-N 2.81Å; D500-H561 PolarHBondContact OD2-N 2.69Å |
| 501 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 177.2 | -62.8 | 172.1 | 0 | 0 | 0 | 112.2 | K350 E497 W498 I499 K506 A515 N517 | K350-L501 VanDerWaalsContact C-CD1 3.5Å; E497-L501 PolarHBondContact O-N 3.47Å; W498-L501 WeakPolarHBondContact O-CB 3.44Å; W498-L501 PolarHBondContact O-N 3.22Å; W498-L501 VanDerWaalsContact O-N 3.14Å; I499-L501 VanDerWaalsContact C-N 3.29Å; I499-L501 PolarHBondContact O-N 3.06Å; L501-K506 HydrophobicContact CD2-CB 4.1Å; L501-K506 HydrophobicContact CD2-CD 4.2Å; L501-A515 HydrophobicContact CD2-CB 3.89Å; L501-N517 HydrophobicContact CD2-CB 4.04Å; L501-N517 PolarHBondContact O-ND2 2.99Å |
| 502 | V | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -94.3 | -42.6 | -168.9 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | Y381 W498 I499 Q507 P553 | Y381-V502 HydrophobicContact CE2-CG1 4.49Å; W498-V502 HydrophobicContact CD2-CG2 4.02Å; W498-V502 HydrophobicContact CE3-CG2 4.33Å; W498-V502 HydrophobicContact CH2-CB 4.25Å; W498-V502 HydrophobicContact CH2-CG1 4.22Å; W498-V502 HydrophobicContact CH2-CG2 3.91Å; W498-V502 HydrophobicContact CZ2-CB 4.41Å; W498-V502 HydrophobicContact CZ2-CG2 3.57Å; W498-V502 HydrophobicContact CZ3-CB 4.34Å; W498-V502 HydrophobicContact CZ3-CG2 4.26Å; W498-V502 PolarHBondContact O-N 3.14Å; W498-V502 VanDerWaalsContact O-N 3.13Å; I499-V502 PolarHBondContact O-N 3.37Å; V502-Q507 PolarHBondContact O-NE2 3.2Å; V502-P553 HydrophobicContact CG1-CG 3.75Å |
| 503 | F | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -15.5 | -175.2 | -53.7 | -73.3 | 0 | 0 | 0 | 113.6 | L308 A312 W498 I499 P553 L556 F557 | L308-F503 HydrophobicContact CB-CD2 4.24Å; L308-F503 HydrophobicContact CB-CE2 4.15Å; L308-F503 HydrophobicContact CB-CZ 4.4Å; L308-F503 HydrophobicContact CD1-CD2 4.16Å; A312-F503 HydrophobicContact CB-CD1 3.53Å; A312-F503 HydrophobicContact CB-CE1 3.49Å; A312-F503 VanDerWaalsContact CB-CE1 3.49Å; W498-F503 HydrophobicContact CH2-CE2 4.38Å; W498-F503 AromaticContact CZ3-CE2 3.94Å; W498-F503 HydrophobicContact CZ3-CE2 3.94Å; I499-F503 HydrophobicContact CG2-CB 4.24Å; I499-F503 HydrophobicContact CG2-CD2 4.24Å; I499-F503 CarbonylContact O-C 3.59Å; I499-F503 WeakPolarHBondContact O-CA 3.49Å; I499-F503 PolarHBondContact O-N 3.44Å; F503-P553 HydrophobicContact CD1-CB 3.82Å; F503-P553 HydrophobicContact CD1-CG 4.13Å; F503-P553 HydrophobicContact CE1-CB 3.63Å; F503-P553 HydrophobicContact CE1-CG 3.81Å; F503-L556 HydrophobicContact CB-CB 4.44Å; F503-L556 HydrophobicContact CB-CD1 4.32Å; F503-L556 HydrophobicContact CB-CG 4.37Å; F503-L556 HydrophobicContact CD1-CD1 4.32Å; F503-L556 HydrophobicContact CG-CD1 4.48Å; F503-L556 PolarHBondContact O-N 2.97Å; F503-F557 PolarHBondContact O-N 3.02Å |
| 504 | G | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -103.9 | -154.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | I499 D500 K506 Q507 Q555 F557 | I499-G504 PolarHBondContact O-N 2.96Å; D500-G504 CarbonylContact O-C 3.09Å; D500-G504 WeakPolarHBondContact O-CA 3.37Å; D500-G504 PolarHBondContact O-N 3.34Å; G504-K506 VanDerWaalsContact C-N 3.31Å; G504-K506 PolarHBondContact O-N 2.89Å; G504-Q507 WeakPolarHBondContact O-CB 3.42Å; G504-Q507 PolarHBondContact O-N 2.99Å; G504-Q555 PolarHBondContact O-NE2 2.84Å; G504-F557 CarbonylContact C-O 3.53Å; G504-F557 VanDerWaalsContact CA-O 3.26Å; G504-F557 WeakPolarHBondContact CA-O 3.21Å |
| 505 | F | 95.7 | Very high | 96.5 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -71.6 | -21.9 | -166.4 | 81.4 | -73.3 | 0 | 0 | 0 | 114 | D500 Q507 E511 F557 T558 P560 | D500-F505 HydrophobicContact CB-CD1 4.06Å; D500-F505 HydrophobicContact CB-CE1 3.97Å; D500-F505 VanDerWaalsContact CG-CE1 3.47Å; D500-F505 WeakPolarHBondContact OD1-CD1 3.45Å; D500-F505 WeakPolarHBondContact OD2-CE1 3.47Å; F505-Q507 VanDerWaalsContact C-N 3.27Å; F505-Q507 PolarHBondContact O-N 3.24Å; F505-E511 HydrophobicContact CD2-CB 4.09Å; F505-E511 HydrophobicContact CD2-CG 3.73Å; F505-E511 HydrophobicContact CE2-CB 4.19Å; F505-E511 HydrophobicContact CE2-CG 3.85Å; F505-E511 WeakPolarHBondContact CE2-OE2 3.49Å; F505-F557 PolarHBondContact N-O 3.2Å; F505-T558 VanDerWaalsContact CB-C 3.47Å; F505-T558 VanDerWaalsContact CB-O 3.25Å; F505-T558 WeakPolarHBondContact CB-O 3.49Å; F505-P560 VanDerWaalsContact CD1-CA 3.5Å; F505-P560 HydrophobicContact CD1-CB 4.32Å; F505-P560 HydrophobicContact CD1-CG 4.26Å; F505-P560 VanDerWaalsContact CE1-CA 3.47Å; F505-P560 HydrophobicContact CE1-CB 3.82Å; F505-P560 HydrophobicContact CE1-CG 3.79Å; F505-P560 HydrophobicContact CE2-CG 4.39Å; F505-P560 HydrophobicContact CZ-CB 4.32Å; F505-P560 HydrophobicContact CZ-CG 3.87Å |
| 506 | K | 97.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -84.1 | 7.3 | 176.8 | -58.6 | 177.7 | -179.1 | 175.3 | 0 | 113.7 | D500 L501 G504 E511 A512 A515 N517 | D500-K506 HydrophobicContact CB-CB 4.41Å; D500-K506 HydrophobicContact CB-CD 4.01Å; D500-K506 HydrophobicContact CB-CG 4.15Å; D500-K506 CarbonylContact O-C 3.49Å; D500-K506 WeakPolarHBondContact O-CA 3.39Å; D500-K506 WeakPolarHBondContact O-CB 3.28Å; D500-K506 PolarHBondContact O-N 2.86Å; L501-K506 HydrophobicContact CD2-CB 4.1Å; L501-K506 HydrophobicContact CD2-CD 4.2Å; G504-K506 VanDerWaalsContact C-N 3.31Å; G504-K506 PolarHBondContact O-N 2.89Å; K506-E511 HydrophobicContact CG-CB 4.35Å; K506-A512 WeakPolarHBondContact O-CA 3.41Å; K506-A512 WeakPolarHBondContact O-CB 3.48Å; K506-A515 HydrophobicContact CB-CB 4.27Å; K506-A515 HydrophobicContact CD-CB 4.06Å; K506-A515 HydrophobicContact CG-CB 4.45Å; K506-N517 PolarHBondContact O-ND2 3.38Å |
| 507 | Q | 96.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -72.8 | -32.9 | 177.1 | -165.9 | -161.4 | 83.3 | 0 | 0 | 112.5 | D500 V502 G504 F505 Y524 T552 P553 | D500-Q507 PolarHBondContact O-N 2.82Å; V502-Q507 PolarHBondContact O-NE2 3.2Å; G504-Q507 WeakPolarHBondContact O-CB 3.42Å; G504-Q507 PolarHBondContact O-N 2.99Å; F505-Q507 VanDerWaalsContact C-N 3.27Å; F505-Q507 PolarHBondContact O-N 3.24Å; Q507-Y524 HydrophobicContact CG-CE1 4.44Å; Q507-Y524 WeakPolarHBondContact O-CE1 3.42Å; Q507-Y524 PolarHBondContact O-OH 3.44Å; Q507-T552 VanDerWaalsContact CD-CG2 3.44Å; Q507-T552 HydrophobicContact CG-CG2 3.79Å; Q507-P553 PolarHBondContact NE2-O 3.18Å |
| 508 | R | 93.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 32.1 Ų | 32.1 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -144 | 173 | -173.9 | -57.4 | -177 | -173.7 | -153.6 | -2 | 111.4 | Y524 E525 | R508-Y524 HydrophobicContact CG-CD1 3.9Å; R508-Y524 HydrophobicContact CG-CE1 3.78Å; R508-E525 PolarHBondContact NH1-O 2.9Å; R508-E525 VanDerWaalsContact NH2-N 3.12Å |
| 509 | G | 92.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 58% | 0.577 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | 76.2 | -160.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E511 A512 V513 | G509-E511 VanDerWaalsContact C-N 3.3Å; G509-E511 PolarHBondContact O-N 3.39Å; G509-A512 PolarHBondContact O-N 3.45Å; G509-V513 PolarHBondContact O-N 3.2Å |
| 510 | S | 93.9 | Very high | 96 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 55% | 0.545 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 178.5 | 46.5 | 0 | 0 | 0 | 0 | 112 | A512 V513 E514 | S510-A512 VanDerWaalsContact C-N 3.28Å; S510-A512 PolarHBondContact O-N 3.48Å; S510-V513 WeakPolarHBondContact O-CA 3.19Å; S510-V513 WeakPolarHBondContact O-CB 3.33Å; S510-V513 PolarHBondContact O-N 2.94Å; S510-E514 PolarHBondContact O-N 2.8Å |
| 511 | E | 96.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 35.6 Ų | 35.6 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.8 | -38 | -179.9 | -57.7 | -59.9 | 140.3 | 0 | 0 | 112.2 | F505 K506 G509 V513 E514 A515 | F505-E511 HydrophobicContact CD2-CB 4.09Å; F505-E511 HydrophobicContact CD2-CG 3.73Å; F505-E511 HydrophobicContact CE2-CB 4.19Å; F505-E511 HydrophobicContact CE2-CG 3.85Å; F505-E511 WeakPolarHBondContact CE2-OE2 3.49Å; K506-E511 HydrophobicContact CG-CB 4.35Å; G509-E511 VanDerWaalsContact C-N 3.3Å; G509-E511 PolarHBondContact O-N 3.39Å; E511-V513 VanDerWaalsContact C-N 3.34Å; E511-E514 PolarHBondContact O-N 3.04Å; E511-A515 VanDerWaalsContact O-CB 3.26Å; E511-A515 WeakPolarHBondContact O-CB 3.31Å; E511-A515 PolarHBondContact O-N 3.26Å |
| 512 | A | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -33.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K506 G509 S510 H516 N517 V518 | K506-A512 WeakPolarHBondContact O-CA 3.41Å; K506-A512 WeakPolarHBondContact O-CB 3.48Å; G509-A512 PolarHBondContact O-N 3.45Å; S510-A512 VanDerWaalsContact C-N 3.28Å; S510-A512 PolarHBondContact O-N 3.48Å; A512-H516 CarbonylContact O-C 3.56Å; A512-H516 PolarHBondContact O-N 2.87Å; A512-H516 VanDerWaalsContact O-N 3.11Å; A512-N517 PolarHBondContact O-N 2.83Å; A512-V518 HydrophobicContact CB-CG2 4.07Å |
| 513 | V | 95.8 | Very high | 94.9 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.4 | -45.2 | 176 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | G509 S510 E511 H516 V518 | G509-V513 PolarHBondContact O-N 3.2Å; S510-V513 WeakPolarHBondContact O-CA 3.19Å; S510-V513 WeakPolarHBondContact O-CB 3.33Å; S510-V513 PolarHBondContact O-N 2.94Å; E511-V513 VanDerWaalsContact C-N 3.34Å; V513-H516 PolarHBondContact O-N 2.79Å; V513-H516 VanDerWaalsContact O-N 3.11Å; V513-H516 PolarHBondContact O-ND1 2.68Å; V513-H516 VanDerWaalsContact O-ND1 3.15Å; V513-V518 HydrophobicContact CB-CG2 4.46Å; V513-V518 HydrophobicContact CG2-CG2 3.87Å |
| 514 | E | 95.9 | Very high | 94.6 | Very high | 141 Ų | 141 | 37.8 Ų | 37.8 | 66% | 0.659 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.2 | -42 | 177.7 | -68.3 | -172 | -178.7 | 0 | 0 | 112 | S510 E511 H516 | S510-E514 PolarHBondContact O-N 2.8Å; E511-E514 PolarHBondContact O-N 3.04Å; E514-H516 PolarHBondContact O-N 3.32Å |
| 515 | A | 96.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P351 L501 K506 E511 N517 | P351-A515 WeakPolarHBondContact CD-O 3.46Å; L501-A515 HydrophobicContact CD2-CB 3.89Å; K506-A515 HydrophobicContact CB-CB 4.27Å; K506-A515 HydrophobicContact CD-CB 4.06Å; K506-A515 HydrophobicContact CG-CB 4.45Å; E511-A515 VanDerWaalsContact O-CB 3.26Å; E511-A515 WeakPolarHBondContact O-CB 3.31Å; E511-A515 PolarHBondContact O-N 3.26Å; A515-N517 VanDerWaalsContact C-N 3.3Å; A515-N517 HydrophobicContact CB-CB 4.33Å; A515-N517 PolarHBondContact O-N 3.35Å |
| 516 | H | 97.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 43 Ų | 43 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 41.7 | -176.7 | -49.2 | -36.6 | 0 | 0 | 0 | 113.5 | P351 A354 L360 I376 Y377 A512 V513 E514 | P351-H516 WeakPolarHBondContact CG-O 3.27Å; A354-H516 HydrophobicContact CB-CB 4.41Å; L360-H516 HydrophobicContact CD1-CB 4.03Å; I376-H516 HydrophobicContact CD1-CB 4.03Å; Y377-H516 WeakPolarHBondContact CE2-O 3.48Å; Y377-H516 PolarHBondContact OH-O 2.79Å; A512-H516 CarbonylContact O-C 3.56Å; A512-H516 PolarHBondContact O-N 2.87Å; A512-H516 VanDerWaalsContact O-N 3.11Å; V513-H516 PolarHBondContact O-N 2.79Å; V513-H516 VanDerWaalsContact O-N 3.11Å; V513-H516 PolarHBondContact O-ND1 2.68Å; V513-H516 VanDerWaalsContact O-ND1 3.15Å; E514-H516 PolarHBondContact O-N 3.32Å |
| 517 | N | 97.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -117 | 34 | -169.9 | -165.8 | 46 | 0 | 0 | 0 | 113.2 | P351 L501 K506 A512 A515 F519 Y524 | P351-N517 HydrophobicContact CG-CB 4.31Å; L501-N517 HydrophobicContact CD2-CB 4.04Å; L501-N517 PolarHBondContact O-ND2 2.99Å; K506-N517 PolarHBondContact O-ND2 3.38Å; A512-N517 PolarHBondContact O-N 2.83Å; A515-N517 VanDerWaalsContact C-N 3.3Å; A515-N517 HydrophobicContact CB-CB 4.33Å; A515-N517 PolarHBondContact O-N 3.35Å; N517-F519 WeakPolarHBondContact OD1-CE2 3.44Å; N517-Y524 PolarHBondContact O-OH 2.88Å | ||
| 518 | V | 96.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | trans | -99.4 | 115.3 | -175.7 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | F375 I376 Y377 A512 V513 | F375-V518 HydrophobicContact CB-CG1 4.46Å; I376-V518 WeakPolarHBondContact CB-O 3.17Å; I376-V518 HydrophobicContact CD1-CB 4.27Å; I376-V518 HydrophobicContact CD1-CG2 4.32Å; I376-V518 HydrophobicContact CG1-CB 4.2Å; I376-V518 PolarHBondContact N-O 3.31Å; Y377-V518 WeakPolarHBondContact CD2-O 3.38Å; Y377-V518 PolarHBondContact N-O 2.94Å; A512-V518 HydrophobicContact CB-CG2 4.07Å; V513-V518 HydrophobicContact CB-CG2 4.46Å; V513-V518 HydrophobicContact CG2-CG2 3.87Å | ||
| 519 | F | 95.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 173.2 | 178.2 | -65.9 | -88.5 | 0 | 0 | 0 | 112.2 | F375 Y377 H380 Y381 N517 Y524 | F375-F519 VanDerWaalsContact CB-O 3.29Å; F375-F519 WeakPolarHBondContact CB-O 3.35Å; Y377-F519 AromaticContact CD2-CD1 3.86Å; Y377-F519 HydrophobicContact CD2-CD1 3.86Å; Y377-F519 HydrophobicContact CD2-CD2 4.33Å; Y377-F519 AromaticContact CD2-CE1 3.47Å; Y377-F519 HydrophobicContact CD2-CE1 3.47Å; Y377-F519 VanDerWaalsContact CD2-CE1 3.47Å; Y377-F519 AromaticContact CD2-CE2 3.99Å; Y377-F519 HydrophobicContact CD2-CE2 3.99Å; Y377-F519 HydrophobicContact CD2-CG 4.24Å; Y377-F519 AromaticContact CD2-CZ 3.5Å; Y377-F519 HydrophobicContact CD2-CZ 3.5Å; Y377-F519 HydrophobicContact CE2-CE1 4.35Å; Y377-F519 HydrophobicContact CE2-CE2 4.4Å; Y377-F519 AromaticContact CE2-CZ 3.98Å; Y377-F519 HydrophobicContact CE2-CZ 3.98Å; Y377-F519 HydrophobicContact CG-CD1 4.1Å; Y377-F519 AromaticContact CG-CE1 3.77Å; Y377-F519 HydrophobicContact CG-CE1 3.77Å; Y377-F519 HydrophobicContact CG-CZ 4.23Å; Y377-F519 CarbonylContact O-C 3.55Å; H380-F519 AromaticContact CD2-CD1 3.96Å; Y381-F519 HydrophobicContact CD1-CD1 4.41Å; Y381-F519 AromaticContact CD1-CE1 3.61Å; Y381-F519 HydrophobicContact CD1-CE1 3.61Å; Y381-F519 AromaticContact CD1-CE2 3.83Å; Y381-F519 HydrophobicContact CD1-CE2 3.83Å; Y381-F519 AromaticContact CD1-CZ 3.3Å; Y381-F519 HydrophobicContact CD1-CZ 3.3Å; Y381-F519 HydrophobicContact CE1-CD2 4.2Å; Y381-F519 HydrophobicContact CE1-CE1 4.14Å; Y381-F519 AromaticContact CE1-CE2 3.62Å; Y381-F519 HydrophobicContact CE1-CE2 3.62Å; Y381-F519 AromaticContact CE1-CZ 3.62Å; Y381-F519 HydrophobicContact CE1-CZ 3.62Å; N517-F519 WeakPolarHBondContact OD1-CE2 3.44Å; F519-Y524 HydrophobicContact CB-CE2 4.04Å; F519-Y524 PolarHBondContact N-OH 3.38Å; F519-Y524 WeakPolarHBondContact O-CE2 3.39Å |
| 520 | H | 92.8 | Very high | 88.1 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | trans | -56.7 | 135.7 | 176.5 | -170.6 | -82.2 | 0 | 0 | 0 | 111.2 | F375 Y377 L522 T523 | F375-H520 AromaticContact CD1-CD2 3.86Å; F375-H520 AromaticContact CE1-CD2 3.5Å; F375-H520 HydrophobicContact CG-CB 4.5Å; F375-H520 AromaticContact CZ-CD2 3.7Å; Y377-H520 PolarHBondContact O-N 3.3Å; H520-L522 VanDerWaalsContact C-N 3.26Å; H520-L522 WeakPolarHBondContact ND1-CB 3.45Å; H520-L522 PolarHBondContact ND1-N 3.4Å; H520-L522 PolarHBondContact O-N 3.44Å; H520-L522 VanDerWaalsContact O-N 3.11Å; H520-T523 HydrophobicContact CB-CG2 4.23Å; H520-T523 WeakPolarHBondContact O-CB 3.42Å; H520-T523 WeakPolarHBondContact O-CG2 3.44Å; H520-T523 PolarHBondContact O-N 2.98Å; H520-T523 PolarHBondContact O-OG1 3.29Å | ||
| 521 | P | 90.5 | Very high | 86.8 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -54.6 | -36.1 | -173 | -29.3 | 35 | 0 | 0 | 0 | 115.1 | P373 T523 Y524 | P373-P521 HydrophobicContact CB-CG 3.77Å; P373-P521 HydrophobicContact CG-CB 4.36Å; P373-P521 HydrophobicContact CG-CG 3.67Å; P521-T523 PolarHBondContact O-N 3.26Å; P521-T523 VanDerWaalsContact O-N 3.13Å; P521-Y524 PolarHBondContact O-N 3.04Å; P521-Y524 VanDerWaalsContact O-N 3.13Å |
| 522 | L | 89.9 | Confident | 85.7 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -60.6 | -18.1 | 176.5 | -79.9 | 172.3 | 0 | 0 | 0 | 114.7 | L239 H520 Y524 M528 M542 Q545 I546 | L239-L522 WeakPolarHBondContact CD1-O 3.49Å; H520-L522 VanDerWaalsContact C-N 3.26Å; H520-L522 WeakPolarHBondContact ND1-CB 3.45Å; H520-L522 PolarHBondContact ND1-N 3.4Å; H520-L522 PolarHBondContact O-N 3.44Å; H520-L522 VanDerWaalsContact O-N 3.11Å; L522-Y524 VanDerWaalsContact C-N 3.3Å; L522-M528 HydrophobicContact CD1-CE 4.21Å; L522-M528 HydrophobicContact CD2-CE 3.21Å; L522-M528 HydrophobicContact CG-CE 3.53Å; L522-M542 HydrophobicContact CD2-CE 3.93Å; L522-Q545 HydrophobicContact CD1-CB 4.16Å; L522-Q545 HydrophobicContact CD1-CG 3.74Å; L522-I546 HydrophobicContact CB-CG1 4.41Å; L522-I546 HydrophobicContact CD2-CD1 4.16Å; L522-I546 HydrophobicContact CD2-CG1 4.15Å |
| 523 | T | 91.9 | Very high | 84.9 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -77.5 | -19.7 | 179 | 66 | 0 | 0 | 0 | 0 | 112.2 | H380 H520 P521 T552 | H380-T523 HydrophobicContact CB-CG2 4.3Å; H520-T523 HydrophobicContact CB-CG2 4.23Å; H520-T523 WeakPolarHBondContact O-CB 3.42Å; H520-T523 WeakPolarHBondContact O-CG2 3.44Å; H520-T523 PolarHBondContact O-N 2.98Å; H520-T523 PolarHBondContact O-OG1 3.29Å; P521-T523 PolarHBondContact O-N 3.26Å; P521-T523 VanDerWaalsContact O-N 3.13Å; T523-T552 WeakPolarHBondContact O-CB 3.25Å; T523-T552 PolarHBondContact O-N 3.17Å; T523-T552 PolarHBondContact O-OG1 2.83Å; T523-T552 PolarHBondContact OG1-OG1 3.36Å |
| 524 | Y | 91.3 | Very high | 84 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -94.9 | 137.9 | -174.4 | -63.6 | -78.5 | 0 | 0 | 0 | 112 | Q507 R508 N517 F519 P521 L522 G526 G527 T552 | Q507-Y524 HydrophobicContact CG-CE1 4.44Å; Q507-Y524 WeakPolarHBondContact O-CE1 3.42Å; Q507-Y524 PolarHBondContact O-OH 3.44Å; R508-Y524 HydrophobicContact CG-CD1 3.9Å; R508-Y524 HydrophobicContact CG-CE1 3.78Å; N517-Y524 PolarHBondContact O-OH 2.88Å; F519-Y524 HydrophobicContact CB-CE2 4.04Å; F519-Y524 PolarHBondContact N-OH 3.38Å; F519-Y524 WeakPolarHBondContact O-CE2 3.39Å; P521-Y524 PolarHBondContact O-N 3.04Å; P521-Y524 VanDerWaalsContact O-N 3.13Å; L522-Y524 VanDerWaalsContact C-N 3.3Å; Y524-G526 PolarHBondContact O-N 3.33Å; Y524-G527 WeakPolarHBondContact O-CA 3.44Å; Y524-G527 PolarHBondContact O-N 3.25Å; Y524-T552 HydrophobicContact CD1-CG2 3.79Å; Y524-T552 HydrophobicContact CE1-CG2 3.78Å |
| 525 | E | 85.1 | Confident | 83.4 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.4 | 166.4 | 178.1 | 176.3 | -163.6 | 0 | 0 | 111.5 | R236 R508 G527 | R236-E525 IonicContact CZ-OE2 3.57Å; R236-E525 IonicContact NE-OE2 2.98Å; R236-E525 IonicContact NH1-OE2 2.91Å; R236-E525 PolarHBondContact NH1-OE2 2.55Å; R508-E525 PolarHBondContact NH1-O 2.9Å; R508-E525 VanDerWaalsContact NH2-N 3.12Å; E525-G527 PolarHBondContact O-N 2.86Å |
| 526 | G | 77.6 | Confident | 82.5 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 76% | 0.763 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 5.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y524 M528 | Y524-G526 PolarHBondContact O-N 3.33Å; G526-M528 VanDerWaalsContact C-N 3.27Å; G526-M528 PolarHBondContact O-N 3.43Å |
| 527 | G | 67.5 | Low | 81.8 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -60.2 | -34.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y524 E525 | Y524-G527 WeakPolarHBondContact O-CA 3.44Å; Y524-G527 PolarHBondContact O-N 3.25Å; E525-G527 PolarHBondContact O-N 2.86Å |
| 528 | M | 69.4 | Low | 81.1 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 49% | 0.493 | 33% | 0.333 | S | S | . | . | trans | -154.7 | 145.8 | 168.5 | -77 | -169.3 | -79.8 | 0 | 0 | 111.3 | L522 G526 C530 M542 | L522-M528 HydrophobicContact CD1-CE 4.21Å; L522-M528 HydrophobicContact CD2-CE 3.21Å; L522-M528 HydrophobicContact CG-CE 3.53Å; G526-M528 VanDerWaalsContact C-N 3.27Å; G526-M528 PolarHBondContact O-N 3.43Å; M528-C530 PolarHBondContact O-N 3.27Å; M528-M542 HydrophobicContact CB-CE 4.18Å; M528-M542 HydrophobicContact CE-CE 3.23Å; M528-M542 HydrophobicContact CG-CE 4.48Å; M528-M542 HydrophobicContact SD-CE 3.56Å; M528-M542 VanDerWaalsContact SD-CE 3.56Å | ||
| 529 | D | 68.5 | Low | 80.4 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | trans | -84.3 | 101 | 173.3 | -179.2 | 8.3 | 0 | 0 | 0 | 110.5 | D531 S532 | D529-D531 PolarHBondContact O-N 3.31Å; D529-D531 WeakPolarHBondContact OD1-CB 3.33Å; D529-D531 PolarHBondContact OD1-N 3.35Å; D529-S532 PolarHBondContact O-N 3.47Å; D529-S532 PolarHBondContact O-OG 3.39Å | ||
| 530 | C | 64.9 | Low | 79.7 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 10% | 0.095 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.5 | 179.4 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | M528 S532 R539 | M528-C530 PolarHBondContact O-N 3.27Å; C530-S532 VanDerWaalsContact C-N 3.35Å; C530-R539 WeakPolarHBondContact O-CD 3.43Å; C530-R539 PolarHBondContact O-NE 2.98Å |
| 531 | D | 67.3 | Low | 79.3 | Confident | 99 Ų | 99 | 62 Ų | 62 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -81.9 | -18.9 | 179.2 | -63.4 | -29.7 | 0 | 0 | 0 | 111.9 | R240 D529 I533 R539 | R240-D531 IonicContact NH1-OD1 2.68Å; D529-D531 PolarHBondContact O-N 3.31Å; D529-D531 WeakPolarHBondContact OD1-CB 3.33Å; D529-D531 PolarHBondContact OD1-N 3.35Å; D531-I533 VanDerWaalsContact C-N 3.27Å; D531-I533 PolarHBondContact O-N 2.84Å; D531-R539 IonicContact OD1-CZ 3.55Å; D531-R539 IonicContact OD1-NH1 3.21Å; D531-R539 IonicContact OD1-NH2 2.98Å; D531-R539 PolarHBondContact OD1-NH2 3.23Å |
| 532 | S | 72.3 | Confident | 78.9 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 58% | 0.58 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -76.9 | -10.2 | 172.4 | 75 | 0 | 0 | 0 | 0 | 114.1 | D529 C530 E534 | D529-S532 PolarHBondContact O-N 3.47Å; D529-S532 PolarHBondContact O-OG 3.39Å; C530-S532 VanDerWaalsContact C-N 3.35Å; S532-E534 PolarHBondContact O-N 3.3Å |
| 533 | I | 79.4 | Confident | 78.5 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | trans | -85.4 | 111.7 | -177.7 | -53.8 | 174.2 | 0 | 0 | 0 | 109.4 | D531 D535 Q538 R539 M542 | D531-I533 VanDerWaalsContact C-N 3.27Å; D531-I533 PolarHBondContact O-N 2.84Å; I533-D535 WeakPolarHBondContact CG2-O 3.26Å; I533-Q538 HydrophobicContact CG2-CB 4.14Å; I533-Q538 HydrophobicContact CG2-CG 4.22Å; I533-R539 HydrophobicContact CB-CB 4.37Å; I533-R539 HydrophobicContact CG2-CB 4.16Å; I533-M542 HydrophobicContact CD1-CE 3.52Å; I533-M542 HydrophobicContact CD1-SD 3.37Å; I533-M542 WeakPolarHBondContact CD1-SD 3.24Å | ||
| 534 | E | 76.9 | Confident | 78.1 | Confident | 193 Ų | 193 | 63.1 Ų | 63.1 | 90% | 0.902 | 36% | 0.36 | S | S | * | . | trans | -72.3 | -34 | 177.2 | -63.6 | -174.2 | 172.6 | 0 | 0 | 112.7 | S532 T536 | S532-E534 PolarHBondContact O-N 3.3Å; E534-T536 PolarHBondContact O-N 2.97Å | ||
| 535 | D | 83.6 | Confident | 77.9 | Confident | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | trans | -78.5 | 118 | 179.6 | -176.4 | 20.7 | 0 | 0 | 0 | 111.8 | I533 D537 Q538 R539 | I533-D535 WeakPolarHBondContact CG2-O 3.26Å; D535-D537 PolarHBondContact OD1-N 3.46Å; D535-Q538 HydrophobicContact CB-CB 3.96Å; D535-Q538 PolarHBondContact O-N 3.05Å; D535-Q538 PolarHBondContact OD2-N 3.03Å; D535-R539 WeakPolarHBondContact O-CB 3.4Å; D535-R539 PolarHBondContact O-N 2.94Å | ||
| 536 | T | 78.1 | Confident | 77.9 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -177.8 | 39.2 | 0 | 0 | 0 | 0 | 112.6 | E534 R539 I540 | E534-T536 PolarHBondContact O-N 2.97Å; T536-R539 PolarHBondContact O-N 3.02Å; T536-I540 WeakPolarHBondContact O-CD1 3.46Å; T536-I540 VanDerWaalsContact O-CG1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 3.39Å; T536-I540 PolarHBondContact O-N 2.91Å |
| 537 | D | 82.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.1 | -77.3 | -40.1 | 0 | 0 | 0 | 110.4 | L152 G153 D535 R539 I540 A541 | L152-D537 PolarHBondContact N-OD1 2.79Å; G153-D537 WeakPolarHBondContact CA-OD1 3.49Å; G153-D537 PolarHBondContact N-OD1 2.89Å; D535-D537 PolarHBondContact OD1-N 3.46Å; D537-R539 PolarHBondContact O-N 3.46Å; D537-I540 PolarHBondContact O-N 3.37Å; D537-A541 WeakPolarHBondContact O-CB 3.37Å; D537-A541 PolarHBondContact O-N 3.29Å |
| 538 | Q | 83.4 | Confident | 79 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.6 | -173.1 | 177.3 | 9.9 | 0 | 0 | 111.9 | I533 D535 I540 A541 M542 | I533-Q538 HydrophobicContact CG2-CB 4.14Å; I533-Q538 HydrophobicContact CG2-CG 4.22Å; D535-Q538 HydrophobicContact CB-CB 3.96Å; D535-Q538 PolarHBondContact O-N 3.05Å; D535-Q538 PolarHBondContact OD2-N 3.03Å; Q538-I540 PolarHBondContact O-N 3.03Å; Q538-A541 PolarHBondContact O-N 3.01Å; Q538-M542 HydrophobicContact CG-SD 3.91Å; Q538-M542 VanDerWaalsContact O-CG 3.27Å; Q538-M542 WeakPolarHBondContact O-CG 3.2Å; Q538-M542 PolarHBondContact O-N 3.49Å |
| 539 | R | 81.3 | Confident | 79.8 | Confident | 74 Ų | 74 | 63 Ų | 63 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 178 | -176.6 | 175.1 | 176.3 | 162.5 | 0.6 | 112 | C530 D531 I533 D535 T536 D537 M542 L543 | C530-R539 WeakPolarHBondContact O-CD 3.43Å; C530-R539 PolarHBondContact O-NE 2.98Å; D531-R539 IonicContact OD1-CZ 3.55Å; D531-R539 IonicContact OD1-NH1 3.21Å; D531-R539 IonicContact OD1-NH2 2.98Å; D531-R539 PolarHBondContact OD1-NH2 3.23Å; I533-R539 HydrophobicContact CB-CB 4.37Å; I533-R539 HydrophobicContact CG2-CB 4.16Å; D535-R539 WeakPolarHBondContact O-CB 3.4Å; D535-R539 PolarHBondContact O-N 2.94Å; T536-R539 PolarHBondContact O-N 3.02Å; D537-R539 PolarHBondContact O-N 3.46Å; R539-M542 PolarHBondContact O-N 3.36Å; R539-L543 HydrophobicContact CG-CD1 4.2Å; R539-L543 WeakPolarHBondContact O-CG 3.34Å; R539-L543 PolarHBondContact O-N 3.23Å |
| 540 | I | 80.3 | Confident | 80.5 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 178 | -69.3 | 163.8 | 0 | 0 | 0 | 111 | L152 T156 T536 D537 Q538 M542 L543 T544 | L152-I540 HydrophobicContact CD2-CG2 4.14Å; T156-I540 HydrophobicContact CG2-CD1 3.89Å; T156-I540 HydrophobicContact CG2-CG1 4.44Å; T536-I540 WeakPolarHBondContact O-CD1 3.46Å; T536-I540 VanDerWaalsContact O-CG1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 3.39Å; T536-I540 PolarHBondContact O-N 2.91Å; D537-I540 PolarHBondContact O-N 3.37Å; Q538-I540 PolarHBondContact O-N 3.03Å; I540-M542 PolarHBondContact O-N 3.39Å; I540-L543 PolarHBondContact O-N 3.01Å; I540-T544 WeakPolarHBondContact O-CB 3.45Å; I540-T544 PolarHBondContact O-N 3.02Å; I540-T544 PolarHBondContact O-OG1 2.85Å |
| 541 | A | 83.9 | Confident | 81.9 | Confident | 60 Ų | 60 | 58 Ų | 58 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D537 Q538 Q545 | D537-A541 WeakPolarHBondContact O-CB 3.37Å; D537-A541 PolarHBondContact O-N 3.29Å; Q538-A541 PolarHBondContact O-N 3.01Å; A541-Q545 WeakPolarHBondContact O-CB 3.3Å; A541-Q545 PolarHBondContact O-N 3.28Å |
| 542 | M | 82.9 | Confident | 83.2 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 177.9 | -69.9 | 173.9 | 59.2 | 0 | 0 | 113 | L522 M528 I533 Q538 R539 I540 T544 Q545 I546 | L522-M542 HydrophobicContact CD2-CE 3.93Å; M528-M542 HydrophobicContact CB-CE 4.18Å; M528-M542 HydrophobicContact CE-CE 3.23Å; M528-M542 HydrophobicContact CG-CE 4.48Å; M528-M542 HydrophobicContact SD-CE 3.56Å; M528-M542 VanDerWaalsContact SD-CE 3.56Å; I533-M542 HydrophobicContact CD1-CE 3.52Å; I533-M542 HydrophobicContact CD1-SD 3.37Å; I533-M542 WeakPolarHBondContact CD1-SD 3.24Å; Q538-M542 HydrophobicContact CG-SD 3.91Å; Q538-M542 VanDerWaalsContact O-CG 3.27Å; Q538-M542 WeakPolarHBondContact O-CG 3.2Å; Q538-M542 PolarHBondContact O-N 3.49Å; R539-M542 PolarHBondContact O-N 3.36Å; I540-M542 PolarHBondContact O-N 3.39Å; M542-T544 VanDerWaalsContact C-N 3.31Å; M542-T544 PolarHBondContact O-N 3.16Å; M542-Q545 WeakPolarHBondContact O-CB 3.42Å; M542-Q545 PolarHBondContact O-N 2.88Å; M542-I546 WeakPolarHBondContact O-CG1 3.37Å; M542-I546 PolarHBondContact O-N 3.26Å |
| 543 | L | 80.5 | Confident | 84.3 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 174.6 | -73.6 | 171.7 | 0 | 0 | 0 | 111.6 | R539 I540 Q545 I546 L547 | R539-L543 HydrophobicContact CG-CD1 4.2Å; R539-L543 WeakPolarHBondContact O-CG 3.34Å; R539-L543 PolarHBondContact O-N 3.23Å; I540-L543 PolarHBondContact O-N 3.01Å; L543-Q545 VanDerWaalsContact C-N 3.34Å; L543-Q545 PolarHBondContact O-N 3.42Å; L543-I546 PolarHBondContact O-N 3.14Å; L543-L547 WeakPolarHBondContact O-CG 3.43Å; L543-L547 PolarHBondContact O-N 3.45Å |
| 544 | T | 83.9 | Confident | 85 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 174.3 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | L21 I540 M542 I546 L547 E548 | L21-T544 HydrophobicContact CD2-CG2 4.04Å; I540-T544 WeakPolarHBondContact O-CB 3.45Å; I540-T544 PolarHBondContact O-N 3.02Å; I540-T544 PolarHBondContact O-OG1 2.85Å; M542-T544 VanDerWaalsContact C-N 3.31Å; M542-T544 PolarHBondContact O-N 3.16Å; T544-I546 VanDerWaalsContact C-N 3.31Å; T544-I546 PolarHBondContact O-N 2.95Å; T544-L547 PolarHBondContact O-N 3.43Å; T544-E548 HydrophobicContact CG2-CG 4.09Å; T544-E548 WeakPolarHBondContact O-CB 3.18Å; T544-E548 WeakPolarHBondContact O-CG 3.24Å; T544-E548 PolarHBondContact O-N 3.47Å |
| 545 | Q | 86.5 | Confident | 85.8 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 176.2 | -172.5 | 69.9 | 21.6 | 0 | 0 | 112.2 | L522 A541 M542 L543 F549 | L522-Q545 HydrophobicContact CD1-CB 4.16Å; L522-Q545 HydrophobicContact CD1-CG 3.74Å; A541-Q545 WeakPolarHBondContact O-CB 3.3Å; A541-Q545 PolarHBondContact O-N 3.28Å; M542-Q545 WeakPolarHBondContact O-CB 3.42Å; M542-Q545 PolarHBondContact O-N 2.88Å; L543-Q545 VanDerWaalsContact C-N 3.34Å; L543-Q545 PolarHBondContact O-N 3.42Å; Q545-F549 HydrophobicContact CG-CD2 4.22Å; Q545-F549 VanDerWaalsContact NE2-CG 3.25Å; Q545-F549 WeakPolarHBondContact O-CB 3.36Å; Q545-F549 PolarHBondContact O-N 2.94Å; Q545-F549 VanDerWaalsContact OE1-CD2 3.29Å; Q545-F549 VanDerWaalsContact OE1-CE2 3.25Å |
| 546 | I | 85.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.7 | -68.7 | 165.8 | 0 | 0 | 0 | 111.5 | L239 L522 M542 L543 T544 Q551 | L239-I546 HydrophobicContact CD1-CD1 4.37Å; L239-I546 HydrophobicContact CD1-CG1 4.46Å; L239-I546 HydrophobicContact CD1-CG2 3.99Å; L239-I546 HydrophobicContact CG-CG2 4Å; L522-I546 HydrophobicContact CB-CG1 4.41Å; L522-I546 HydrophobicContact CD2-CD1 4.16Å; L522-I546 HydrophobicContact CD2-CG1 4.15Å; M542-I546 WeakPolarHBondContact O-CG1 3.37Å; M542-I546 PolarHBondContact O-N 3.26Å; L543-I546 PolarHBondContact O-N 3.14Å; T544-I546 VanDerWaalsContact C-N 3.31Å; T544-I546 PolarHBondContact O-N 2.95Å; I546-Q551 HydrophobicContact CG2-CG 3.81Å; I546-Q551 WeakPolarHBondContact O-CG 3.48Å |
| 547 | L | 84.4 | Confident | 87 | Confident | 56 Ų | 56 | 42 Ų | 42 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.5 | -35.6 | -176.9 | -67.2 | 173.5 | 0 | 0 | 0 | 112.5 | S320 P384 L543 T544 | S320-L547 WeakPolarHBondContact CB-O 3.18Å; P384-L547 VanDerWaalsContact CG-O 3.28Å; P384-L547 WeakPolarHBondContact CG-O 3.39Å; L543-L547 WeakPolarHBondContact O-CG 3.43Å; L543-L547 PolarHBondContact O-N 3.45Å; T544-L547 PolarHBondContact O-N 3.43Å |
| 548 | E | 85.3 | Confident | 87.5 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -89.1 | -32.5 | -175.5 | -68.3 | -172.4 | 165.6 | 0 | 0 | 114 | P384 T544 | P384-E548 WeakPolarHBondContact CD-O 3.28Å; T544-E548 HydrophobicContact CG2-CG 4.09Å; T544-E548 WeakPolarHBondContact O-CB 3.18Å; T544-E548 WeakPolarHBondContact O-CG 3.24Å; T544-E548 PolarHBondContact O-N 3.47Å |
| 549 | F | 85.5 | Confident | 87.8 | Confident | 89 Ų | 89 | 44 Ų | 44 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -102.3 | 8.4 | -172.7 | -66.5 | -94.6 | 0 | 0 | 0 | 114.1 | H380 Q545 | H380-F549 WeakPolarHBondContact CB-O 3.44Å; Q545-F549 HydrophobicContact CG-CD2 4.22Å; Q545-F549 VanDerWaalsContact NE2-CG 3.25Å; Q545-F549 WeakPolarHBondContact O-CB 3.36Å; Q545-F549 PolarHBondContact O-N 2.94Å; Q545-F549 VanDerWaalsContact OE1-CD2 3.29Å; Q545-F549 VanDerWaalsContact OE1-CE2 3.25Å |
| 550 | G | 83.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | 88.5 | 156.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S382 | S382-G550 WeakPolarHBondContact O-CA 3.38Š| ||
| 551 | Q | 92.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | trans | -121 | 138.6 | -176.8 | -64.9 | 174.4 | 46.4 | 0 | 0 | 110.6 | L239 R314 S320 Q321 H380 I546 | L239-Q551 HydrophobicContact CD2-CB 4.08Å; L239-Q551 HydrophobicContact CD2-CG 4.1Å; L239-Q551 HydrophobicContact CG-CG 4.26Å; R314-Q551 VanDerWaalsContact CZ-O 3.28Å; R314-Q551 PolarHBondContact NH1-O 3.18Å; R314-Q551 PolarHBondContact NH2-O 3.22Å; S320-Q551 PolarHBondContact O-N 3.25Å; S320-Q551 PolarHBondContact OG-NE2 3.41Å; Q321-Q551 HydrophobicContact CG-CB 4.14Å; Q321-Q551 HydrophobicContact CG-CG 4.49Å; H380-Q551 PolarHBondContact CE1-O 2.95Å; I546-Q551 HydrophobicContact CG2-CG 3.81Å; I546-Q551 WeakPolarHBondContact O-CG 3.48Å | ||
| 552 | T | 95.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 134.5 | 173.6 | -60.6 | 0 | 0 | 0 | 0 | 109 | H380 Q507 T523 Y524 | H380-T552 PolarHBondContact NE2-OG1 2.99Å; Q507-T552 VanDerWaalsContact CD-CG2 3.44Å; Q507-T552 HydrophobicContact CG-CG2 3.79Å; T523-T552 WeakPolarHBondContact O-CB 3.25Å; T523-T552 PolarHBondContact O-N 3.17Å; T523-T552 PolarHBondContact O-OG1 2.83Å; T523-T552 PolarHBondContact OG1-OG1 3.36Å; Y524-T552 HydrophobicContact CD1-CG2 3.79Å; Y524-T552 HydrophobicContact CE1-CG2 3.78Å |
| 553 | P | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 160.6 | 178.5 | -2.7 | 11.5 | 0 | 0 | 0 | 111.6 | A312 R314 Y381 V502 F503 Q507 Q555 | A312-P553 HydrophobicContact CB-CB 3.68Å; R314-P553 VanDerWaalsContact NH2-CG 3.29Å; Y381-P553 WeakPolarHBondContact OH-CD 3.34Å; V502-P553 HydrophobicContact CG1-CG 3.75Å; F503-P553 HydrophobicContact CD1-CB 3.82Å; F503-P553 HydrophobicContact CD1-CG 4.13Å; F503-P553 HydrophobicContact CE1-CB 3.63Å; F503-P553 HydrophobicContact CE1-CG 3.81Å; Q507-P553 PolarHBondContact NE2-O 3.18Å; P553-Q555 PolarHBondContact O-N 3.41Å |
| 554 | K | 93.3 | Very high | 88.9 | Confident | 91 Ų | 91 | 47 Ų | 47 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 134.5 | 172.1 | -167.2 | 176.7 | 173.1 | -178.5 | 0 | 108.9 | A312 L556 | A312-K554 HydrophobicContact CB-CB 4.39Å; A312-K554 PolarHBondContact O-N 3.12Å; A312-K554 VanDerWaalsContact O-N 3.15Å; K554-L556 PolarHBondContact O-N 3.43Å |
| 555 | Q | 94.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 50 Ų | 50 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 122 | 172 | -169.5 | 175.1 | 25.5 | 0 | 0 | 108.4 | G504 P553 F557 | G504-Q555 PolarHBondContact O-NE2 2.84Å; P553-Q555 PolarHBondContact O-N 3.41Å; Q555-F557 WeakPolarHBondContact CG-O 3.39Å; Q555-F557 PolarHBondContact NE2-O 3.33Å |
| 556 | L | 93.8 | Very high | 86.8 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | trans | -97.6 | -33.4 | -178.5 | -61.2 | -177.2 | 0 | 0 | 0 | 111.8 | L308 L311 A312 F503 K554 | L308-L556 HydrophobicContact CB-CD1 4.29Å; L308-L556 HydrophobicContact CD2-CD1 3.84Å; L311-L556 HydrophobicContact CB-CD1 3.93Å; L311-L556 HydrophobicContact CB-CD2 4.04Å; A312-L556 HydrophobicContact CB-CD1 4.14Å; A312-L556 HydrophobicContact CB-CD2 4.35Å; A312-L556 HydrophobicContact CB-CG 4.24Å; F503-L556 HydrophobicContact CB-CB 4.44Å; F503-L556 HydrophobicContact CB-CD1 4.32Å; F503-L556 HydrophobicContact CB-CG 4.37Å; F503-L556 HydrophobicContact CD1-CD1 4.32Å; F503-L556 HydrophobicContact CG-CD1 4.48Å; F503-L556 PolarHBondContact O-N 2.97Å; K554-L556 PolarHBondContact O-N 3.43Å | ||
| 557 | F | 93.1 | Very high | 84.7 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | trans | -127.3 | 141.5 | -176.1 | -46.6 | -76.5 | 0 | 0 | 0 | 111 | A287 M291 L308 I499 F503 G504 F505 Q555 H561 | A287-F557 HydrophobicContact CB-CE1 3.62Å; A287-F557 HydrophobicContact CB-CZ 3.71Å; M291-F557 HydrophobicContact SD-CE1 4.43Å; L308-F557 HydrophobicContact CD2-CE2 3.8Å; L308-F557 HydrophobicContact CD2-CZ 3.86Å; I499-F557 HydrophobicContact CG2-CD2 4.35Å; I499-F557 HydrophobicContact CG2-CE2 4.23Å; F503-F557 PolarHBondContact O-N 3.02Å; G504-F557 CarbonylContact C-O 3.53Å; G504-F557 VanDerWaalsContact CA-O 3.26Å; G504-F557 WeakPolarHBondContact CA-O 3.21Å; F505-F557 PolarHBondContact N-O 3.2Å; Q555-F557 WeakPolarHBondContact CG-O 3.39Å; Q555-F557 PolarHBondContact NE2-O 3.33Å; F557-H561 AromaticContact CD2-CD2 3.62Å; F557-H561 AromaticContact CE2-CD2 3.52Å; F557-H561 AromaticContact CE2-NE2 3.67Å; F557-H561 AromaticContact CZ-NE2 3.85Å | ||
| 558 | T | 91.4 | Very high | 82.4 | Confident | 122 Ų | 122 | 59.5 Ų | 59.5 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -114 | -6.4 | 179.5 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | F505 | F505-T558 VanDerWaalsContact CB-C 3.47Å; F505-T558 VanDerWaalsContact CB-O 3.25Å; F505-T558 WeakPolarHBondContact CB-O 3.49Å |
| 559 | S | 89.6 | Confident | 79.8 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -111 | 165.1 | 170 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | H561 | S559-H561 PolarHBondContact O-N 2.93Š|
| 560 | P | 92 | Very high | 77.1 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 132.2 | 173.1 | -26.6 | 34.8 | 0 | 0 | 0 | 112.4 | F505 P562 | F505-P560 VanDerWaalsContact CD1-CA 3.5Å; F505-P560 HydrophobicContact CD1-CB 4.32Å; F505-P560 HydrophobicContact CD1-CG 4.26Å; F505-P560 VanDerWaalsContact CE1-CA 3.47Å; F505-P560 HydrophobicContact CE1-CB 3.82Å; F505-P560 HydrophobicContact CE1-CG 3.79Å; F505-P560 HydrophobicContact CE2-CG 4.39Å; F505-P560 HydrophobicContact CZ-CB 4.32Å; F505-P560 HydrophobicContact CZ-CG 3.87Å; P560-P562 WeakPolarHBondContact O-CD 3.49Å |
| 561 | H | 88.9 | Confident | 74.3 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.019 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 127.7 | -179.6 | -166.4 | -72.8 | 0 | 0 | 0 | 110 | W294 Y304 H496 I499 D500 F557 S559 | W294-H561 AromaticContact CE3-CE1 3.97Å; W294-H561 AromaticContact CZ3-CE1 3.45Å; W294-H561 VanDerWaalsContact CZ3-CE1 3.45Å; W294-H561 WeakPolarHBondContact CZ3-CE1 3.4Å; W294-H561 AromaticContact CZ3-ND1 3.84Å; Y304-H561 AromaticContact CE1-CE1 3.83Å; Y304-H561 AromaticContact CE1-NE2 3.89Å; Y304-H561 AromaticContact CZ-NE2 3.77Å; Y304-H561 PolarHBondContact OH-CE1 2.81Å; Y304-H561 VanDerWaalsContact OH-CE1 3.29Å; Y304-H561 PolarHBondContact OH-NE2 3.29Å; H496-H561 HydrophobicContact CB-CB 4.15Å; H496-H561 PolarHBondContact CD2-O 3.26Å; I499-H561 HydrophobicContact CG2-CB 4.37Å; I499-H561 WeakPolarHBondContact CG2-CD2 3.36Å; D500-H561 WeakPolarHBondContact OD1-CB 3.48Å; D500-H561 PolarHBondContact OD1-N 2.81Å; D500-H561 PolarHBondContact OD2-N 2.69Å; F557-H561 AromaticContact CD2-CD2 3.62Å; F557-H561 AromaticContact CE2-CD2 3.52Å; F557-H561 AromaticContact CE2-NE2 3.67Å; F557-H561 AromaticContact CZ-NE2 3.85Å; S559-H561 PolarHBondContact O-N 2.93Å |
| 562 | P | 83.9 | Confident | 71.3 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 141.1 | 178.8 | -27 | 37.2 | 0 | 0 | 0 | 112.9 | M291 W294 H496 P560 | M291-P562 HydrophobicContact CE-CG 4.28Å; M291-P562 VanDerWaalsContact SD-CD 3.57Å; M291-P562 HydrophobicContact SD-CG 3.68Å; W294-P562 WeakPolarHBondContact CZ3-O 3.49Å; H496-P562 WeakPolarHBondContact CB-O 3.26Å; P560-P562 WeakPolarHBondContact O-CD 3.49Å |
| 563 | Q | 88 | Confident | 68 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 149.2 | 173.6 | -171 | 176.8 | 29.7 | 0 | 0 | 111.2 | Q295 E493 | Q295-Q563 PolarHBondContact NE2-O 2.72Å; E493-Q563 WeakPolarHBondContact O-CG 3.1Å; E493-Q563 PolarHBondContact O-NE2 3.1Å |
| 564 | R | 80.9 | Confident | 64.8 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 13% | 0.125 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 138.2 | 172.2 | -155.6 | -175.7 | -174.2 | -168.7 | -1.2 | 110 | W294 L299 N301 S492 T566 | W294-R564 HydrophobicContact CD2-CG 4.13Å; W294-R564 HydrophobicContact CH2-CB 3.81Å; W294-R564 HydrophobicContact CH2-CG 4.42Å; W294-R564 HydrophobicContact CZ2-CB 3.68Å; W294-R564 HydrophobicContact CZ2-CG 3.98Å; W294-R564 HydrophobicContact CZ3-CB 4.26Å; W294-R564 WeakPolarHBondContact O-CG 3.42Å; W294-R564 PolarHBondContact O-NE 2.93Å; W294-R564 VanDerWaalsContact O-NE 3.14Å; L299-R564 PolarHBondContact O-NH2 3.48Å; N301-R564 PolarHBondContact OD1-NH1 3.01Å; S492-R564 WeakPolarHBondContact O-CB 3.44Å; S492-R564 PolarHBondContact OG-NH1 3.37Å; R564-T566 PolarHBondContact O-N 3.15Å |
| 565 | I | 73.3 | Confident | 61.5 | Low | 95 Ų | 95 | 101.7 Ų | 101.7 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | trans | -80 | 94 | 178.8 | -56.6 | 163.4 | 0 | 0 | 0 | 107.6 | Q295 | Q295-I565 HydrophobicContact CB-CD1 4.28Å; Q295-I565 HydrophobicContact CB-CG1 4.41Å; Q295-I565 VanDerWaalsContact O-CB 3.24Å; Q295-I565 WeakPolarHBondContact O-CB 3.14Å; Q295-I565 PolarHBondContact O-N 3.18Å; Q295-I565 VanDerWaalsContact O-N 3.16Å | ||
| 566 | T | 52.8 | Low | 58.1 | Low | 28 Ų | 28 | 103.8 Ų | 103.8 | 17% | 0.172 | 55% | 0.545 | C | S | . | . | trans | -84.8 | 133 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | E493 R564 R568 | E493-T566 HydrophobicContact CG-CG2 3.84Å; E493-T566 PolarHBondContact OE1-OG1 2.98Å; E493-T566 VanDerWaalsContact OE1-OG1 3.07Å; R564-T566 PolarHBondContact O-N 3.15Å; T566-R568 PolarHBondContact O-N 2.86Å | ||
| 567 | P | 41.2 | Very low | 54.9 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | trans | -67.6 | 106.2 | 170.6 | 25.7 | -29.4 | 0 | 0 | 0 | 107.9 | F569 | P567-F569 PolarHBondContact O-N 3.44Š| ||
| 568 | R | 34.6 | Very low | 51.8 | Low | 198 Ų | 198 | 112.9 Ų | 112.9 | 75% | 0.747 | 61% | 0.608 | S | S | * | * | trans | -64.8 | 100.4 | 175.4 | -75.5 | -175.2 | 173.5 | 177.9 | -1.6 | 109.5 | T566 Q570 | T566-R568 PolarHBondContact O-N 2.86Å; R568-Q570 VanDerWaalsContact C-N 3.32Å; R568-Q570 PolarHBondContact O-N 3.2Å | ||
| 569 | F | 31.1 | Very low | 48.7 | Very low | 180 Ų | 180 | 113.9 Ų | 113.9 | 79% | 0.789 | 61% | 0.609 | S | S | * | * | trans | -69.4 | 93.1 | 157.5 | -82.5 | -84.2 | 0 | 0 | 0 | 107.9 | P567 N571 | P567-F569 PolarHBondContact O-N 3.44Å; F569-N571 VanDerWaalsContact C-N 3.35Å; F569-N571 PolarHBondContact O-N 2.88Å | ||
| 570 | Q | 28.9 | Very low | 45.6 | Very low | 163 Ų | 163 | 116.1 Ų | 116.1 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | trans | -69.3 | 97.3 | 166.6 | -78 | -176.7 | -9.5 | 0 | 0 | 108.5 | R568 L572 | R568-Q570 VanDerWaalsContact C-N 3.32Å; R568-Q570 PolarHBondContact O-N 3.2Å; Q570-L572 PolarHBondContact O-N 3.13Å; Q570-L572 VanDerWaalsContact O-N 3.13Å | ||
| 571 | N | 25.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | trans | -55.6 | 115.7 | 162.3 | -87.6 | -28.6 | 0 | 0 | 0 | 108.7 | F569 T573 | F569-N571 VanDerWaalsContact C-N 3.35Å; F569-N571 PolarHBondContact O-N 2.88Å; N571-T573 VanDerWaalsContact C-N 3.35Å; N571-T573 PolarHBondContact O-N 3.39Å | ||
| 572 | L | 29.5 | Very low | 39.6 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 88% | 0.88 | 68% | 0.678 | S | S | * | * | trans | -61.4 | 96.4 | 165.3 | -92.5 | 87.5 | 0 | 0 | 0 | 109.1 | Q570 | Q570-L572 PolarHBondContact O-N 3.13Å; Q570-L572 VanDerWaalsContact O-N 3.13Å | ||
| 573 | T | 26.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | -120.1 | 92.9 | 151.5 | 33.7 | 0 | 0 | 0 | 0 | 108.7 | N571 S575 | N571-T573 VanDerWaalsContact C-N 3.35Å; N571-T573 PolarHBondContact O-N 3.39Å; T573-S575 PolarHBondContact O-N 3.09Å | ||
| 574 | R | 28.5 | Very low | 33.9 | Very low | 253 Ų | 253 | 129.4 Ų | 129.4 | 96% | 0.955 | 72% | 0.723 | S | S | * | * | trans | -47.4 | 118.9 | 153.5 | -91.8 | 177.2 | 163.2 | 171.8 | -3.7 | 108.6 | ||||
| 575 | S | 24.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -137.4 | 136.3 | 147.7 | 64.9 | 0 | 0 | 0 | 0 | 109.5 | T573 | T573-S575 PolarHBondContact O-N 3.09Š| ||
| 576 | S | 23.3 | Very low | 28.9 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -94.3 | 148.7 | -169.2 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 577 | S | 25.4 | Very low | 28.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 67.4 | 131.5 | 152.6 | 66.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 578 | V | 27.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | -173 | 156.3 | 65.1 | 161.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 579 | N | 26.3 | Very low | 27.2 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -45.3 | 168.6 | -178.1 | -67.1 | -29.1 | 0 | 0 | 0 | 122.8 | ||||
| 580 | S | 25.3 | Very low | 27 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 85.9 | 141.7 | 142.9 | 40.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 581 | A | 25.1 | Very low | 26.7 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | cis | -159.9 | 165.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 582 | V | 29.4 | Very low | 27 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -64.9 | 145.2 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 583 | G | 26.4 | Very low | 27.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -160.8 | 108.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 584 | E | 26.6 | Very low | 27.7 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -61 | 149.5 | 178.2 | -63.4 | 169.9 | 140.6 | 0 | 0 | 113.5 | ||||
| 585 | L | 25.1 | Very low | 27.9 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -166.1 | 144.5 | 132.3 | -97.6 | 166.8 | 0 | 0 | 0 | 110.9 | ||||
| 586 | S | 24.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -85.8 | 177.3 | -157.4 | -17.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 587 | P | 44.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -105 | 146.3 | -149.7 | 38.5 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 588 | V | 22.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -153.1 | 131.4 | 149.9 | -170.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 589 | S | 25.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 63.3 | 95.4 | 156.9 | 67.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 590 | L | 25.3 | Very low | 31.4 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 122.5 | 149.5 | -81.5 | 159.9 | 0 | 0 | 0 | 108.3 | ||
| 591 | C | 24 | Very low | 33.3 | Very low | 130 Ų | 130 | 128 Ų | 128 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 135.3 | 170.9 | -141.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 592 | E | 32 | Very low | 35.4 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -69.5 | 126.6 | 179.2 | -68.7 | 170.5 | 143.2 | 0 | 0 | 111.2 | ||
| 593 | D | 31.7 | Very low | 37.5 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 149.2 | 71.8 | 133.5 | -79.3 | -15.5 | 0 | 0 | 0 | 112.1 | ||
| 594 | S | 38.3 | Very low | 40 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -174.3 | 80.1 | 155.4 | 47.2 | 0 | 0 | 0 | 0 | 109 | ||
| 595 | S | 33.1 | Very low | 42.6 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 49% | 0.49 | 68% | 0.68 | S | S | . | * | trans | -156.2 | -2.8 | -174.5 | 70 | 0 | 0 | 0 | 0 | 119.5 | L599 | S595-L599 WeakPolarHBondContact O-CB 3.31Å; S595-L599 VanDerWaalsContact O-CD1 3.26Å; S595-L599 WeakPolarHBondContact O-CD1 3.01Å; S595-L599 VanDerWaalsContact O-CG 3.31Å; S595-L599 WeakPolarHBondContact O-CG 3.41Å | ||
| 596 | F | 28.4 | Very low | 45.3 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 77% | 0.768 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -26.3 | -166.2 | -141.1 | -96 | 0 | 0 | 0 | 116.3 | T600 | F596-T600 HydrophobicContact CD1-CG2 4.5Å; F596-T600 HydrophobicContact CE1-CG2 4.49Å; F596-T600 WeakPolarHBondContact O-CG2 3.29Å |
| 597 | E | 39.5 | Very low | 48.2 | Very low | 170 Ų | 170 | 118 Ų | 118 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -44.8 | -179.2 | -72.5 | -174.6 | 166.2 | 0 | 0 | 113.1 | L599 T600 E601 | E597-L599 PolarHBondContact O-N 2.67Å; E597-T600 PolarHBondContact O-N 3.24Å; E597-T600 PolarHBondContact O-OG1 3.38Å; E597-E601 PolarHBondContact O-N 2.96Å |
| 598 | D | 38.5 | Very low | 50.3 | Low | 136 Ų | 136 | 113 Ų | 113 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.3 | -39.7 | 179.9 | -111.8 | -10.9 | 0 | 0 | 0 | 112.9 | T600 E602 | D598-T600 PolarHBondContact O-N 3.36Å; D598-E602 PolarHBondContact O-N 3.16Å |
| 599 | L | 36.1 | Very low | 53.2 | Low | 96 Ų | 96 | 110 Ų | 110 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.4 | -24 | 176 | -70 | 177.1 | 0 | 0 | 0 | 112.5 | S595 E597 S603 | S595-L599 WeakPolarHBondContact O-CB 3.31Å; S595-L599 VanDerWaalsContact O-CD1 3.26Å; S595-L599 WeakPolarHBondContact O-CD1 3.01Å; S595-L599 VanDerWaalsContact O-CG 3.31Å; S595-L599 WeakPolarHBondContact O-CG 3.41Å; E597-L599 PolarHBondContact O-N 2.67Å; L599-S603 WeakPolarHBondContact O-CB 3.46Å; L599-S603 PolarHBondContact O-N 2.78Å; L599-S603 VanDerWaalsContact O-N 3.09Å; L599-S603 PolarHBondContact O-OG 2.83Å |
| 600 | T | 57.7 | Low | 56.1 | Low | 25 Ų | 25 | 108 Ų | 108 | 15% | 0.153 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -79.4 | -36.1 | -179 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | F596 E597 D598 S603 R604 L891 | F596-T600 HydrophobicContact CD1-CG2 4.5Å; F596-T600 HydrophobicContact CE1-CG2 4.49Å; F596-T600 WeakPolarHBondContact O-CG2 3.29Å; E597-T600 PolarHBondContact O-N 3.24Å; E597-T600 PolarHBondContact O-OG1 3.38Å; D598-T600 PolarHBondContact O-N 3.36Å; T600-S603 PolarHBondContact O-N 3.3Å; T600-R604 WeakPolarHBondContact O-CB 3.3Å; T600-R604 VanDerWaalsContact O-CG 3.27Å; T600-R604 WeakPolarHBondContact O-CG 3.35Å; T600-R604 PolarHBondContact O-N 2.97Å; T600-L891 HydrophobicContact CG2-CD2 4.14Å |
| 601 | E | 64.1 | Low | 59.1 | Low | 102 Ų | 102 | 99.5 Ų | 99.5 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 175.8 | -83.3 | -156.7 | 171.1 | 0 | 0 | 112.7 | E597 S603 R604 R605 | E597-E601 PolarHBondContact O-N 2.96Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 2.94Å; E601-R604 PolarHBondContact O-N 2.75Å; E601-R604 IonicContact OE1-NH2 2.79Å; E601-R605 PolarHBondContact O-N 3.11Å |
| 602 | E | 68.9 | Low | 62 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 173.2 | -69.9 | -165.6 | 148.9 | 0 | 0 | 111.3 | D598 R604 R605 M606 | D598-E602 PolarHBondContact O-N 3.16Å; E602-R604 VanDerWaalsContact C-N 3.33Å; E602-R604 PolarHBondContact O-N 2.8Å; E602-R605 PolarHBondContact O-N 3.49Å; E602-M606 WeakPolarHBondContact O-CB 3.41Å; E602-M606 VanDerWaalsContact O-CG 3.26Å; E602-M606 WeakPolarHBondContact O-CG 3.39Å; E602-M606 PolarHBondContact O-N 2.88Å |
| 603 | S | 75.1 | Confident | 64.6 | Low | 60 Ų | 60 | 89.8 Ų | 89.8 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | L599 T600 E601 A607 | L599-S603 WeakPolarHBondContact O-CB 3.46Å; L599-S603 PolarHBondContact O-N 2.78Å; L599-S603 VanDerWaalsContact O-N 3.09Å; L599-S603 PolarHBondContact O-OG 2.83Å; T600-S603 PolarHBondContact O-N 3.3Å; E601-S603 VanDerWaalsContact C-N 3.32Å; E601-S603 PolarHBondContact O-N 2.94Å; S603-A607 VanDerWaalsContact O-CB 3.26Å; S603-A607 WeakPolarHBondContact O-CB 3.05Å; S603-A607 PolarHBondContact O-N 2.6Å |
| 604 | R | 77.8 | Confident | 67.4 | Low | 81 Ų | 81 | 82.7 Ų | 82.7 | 31% | 0.306 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.1 | -77.5 | -172.2 | -71 | -104.5 | 12.6 | 111.1 | T600 E601 E602 M606 A607 W608 E890 | T600-R604 WeakPolarHBondContact O-CB 3.3Å; T600-R604 VanDerWaalsContact O-CG 3.27Å; T600-R604 WeakPolarHBondContact O-CG 3.35Å; T600-R604 PolarHBondContact O-N 2.97Å; E601-R604 PolarHBondContact O-N 2.75Å; E601-R604 IonicContact OE1-NH2 2.79Å; E602-R604 VanDerWaalsContact C-N 3.33Å; E602-R604 PolarHBondContact O-N 2.8Å; R604-M606 PolarHBondContact O-N 2.82Å; R604-A607 WeakPolarHBondContact O-CB 3.09Å; R604-A607 PolarHBondContact O-N 3.41Å; R604-W608 VanDerWaalsContact O-CD1 3.27Å; R604-W608 PolarHBondContact O-N 3.49Å; R604-E890 VanDerWaalsContact CD-O 3.32Å; R604-E890 WeakPolarHBondContact CD-O 3.49Å; R604-E890 WeakPolarHBondContact CG-O 3.27Å |
| 605 | R | 81.3 | Confident | 69.9 | Low | 176 Ų | 176 | 82.3 Ų | 82.3 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 177.9 | -74.6 | -177.2 | -178.8 | 174.9 | 5.4 | 112 | E601 E602 A607 W608 A609 | E601-R605 PolarHBondContact O-N 3.11Å; E602-R605 PolarHBondContact O-N 3.49Å; R605-A607 VanDerWaalsContact C-N 3.31Å; R605-A607 PolarHBondContact O-N 2.91Å; R605-W608 PolarHBondContact O-N 2.91Å; R605-A609 WeakPolarHBondContact O-CB 3.44Å; R605-A609 PolarHBondContact O-N 3.02Å |
| 606 | M | 82.6 | Confident | 72.7 | Confident | 119 Ų | 119 | 85.7 Ų | 85.7 | 59% | 0.586 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.5 | -35.8 | 176.5 | -71.1 | -65.1 | -82.9 | 0 | 0 | 112 | E602 R604 N610 | E602-M606 WeakPolarHBondContact O-CB 3.41Å; E602-M606 VanDerWaalsContact O-CG 3.26Å; E602-M606 WeakPolarHBondContact O-CG 3.39Å; E602-M606 PolarHBondContact O-N 2.88Å; R604-M606 PolarHBondContact O-N 2.82Å; M606-N610 WeakPolarHBondContact O-CB 3.22Å; M606-N610 PolarHBondContact O-N 3.19Å; M606-N610 PolarHBondContact O-ND2 3.3Å; M606-N610 VanDerWaalsContact O-ND2 3.08Å |
| 607 | A | 84.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 82.6 Ų | 82.6 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S603 R604 R605 N610 M611 C892 L909 | S603-A607 VanDerWaalsContact O-CB 3.26Å; S603-A607 WeakPolarHBondContact O-CB 3.05Å; S603-A607 PolarHBondContact O-N 2.6Å; R604-A607 WeakPolarHBondContact O-CB 3.09Å; R604-A607 PolarHBondContact O-N 3.41Å; R605-A607 VanDerWaalsContact C-N 3.31Å; R605-A607 PolarHBondContact O-N 2.91Å; A607-N610 CarbonylContact O-C 3.56Å; A607-N610 PolarHBondContact O-N 3.31Å; A607-M611 PolarHBondContact O-N 2.85Å; A607-C892 HydrophobicContact CB-CB 3.8Å; A607-L909 VanDerWaalsContact CA-CD1 3.49Å; A607-L909 HydrophobicContact CB-CD1 3.53Å; A607-L909 WeakPolarHBondContact O-CD1 3.31Å |
| 608 | W | 88.1 | Confident | 77.9 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.5 | -82.8 | 104.3 | 0 | 0 | 0 | 113.1 | R604 R605 N610 M611 C847 D849 L854 L864 M888 C892 | R604-W608 VanDerWaalsContact O-CD1 3.27Å; R604-W608 PolarHBondContact O-N 3.49Å; R605-W608 PolarHBondContact O-N 2.91Å; W608-N610 VanDerWaalsContact C-N 3.26Å; W608-N610 PolarHBondContact O-N 2.5Å; W608-M611 HydrophobicContact CD2-CE 3.74Å; W608-M611 HydrophobicContact CE3-CB 4.48Å; W608-M611 HydrophobicContact CE3-CE 3.77Å; W608-M611 HydrophobicContact CE3-CG 4.39Å; W608-M611 HydrophobicContact CG-CE 4.2Å; W608-M611 HydrophobicContact CH2-CE 4.38Å; W608-M611 HydrophobicContact CZ2-CE 4.39Å; W608-M611 HydrophobicContact CZ3-CE 4.1Å; W608-M611 HydrophobicContact CZ3-CG 4.45Å; W608-M611 WeakPolarHBondContact O-CB 3.36Å; W608-M611 PolarHBondContact O-N 2.82Å; W608-M611 VanDerWaalsContact O-N 3.15Å; W608-C847 HydrophobicContact CH2-CB 4.37Å; W608-C847 WeakPolarHBondContact CH2-O 3.48Å; W608-C847 HydrophobicContact CZ2-CB 4.46Å; W608-D849 HydrophobicContact CD2-CB 3.98Å; W608-D849 HydrophobicContact CG-CB 3.98Å; W608-D849 HydrophobicContact CZ2-CB 4.35Å; W608-L854 HydrophobicContact CH2-CB 4.11Å; W608-L854 HydrophobicContact CZ3-CB 4.11Å; W608-L864 HydrophobicContact CE3-CD1 4.47Å; W608-L864 HydrophobicContact CZ3-CD1 4.19Å; W608-M888 HydrophobicContact CZ2-CE 3.63Å; W608-M888 HydrophobicContact CZ2-SD 3.92Å; W608-C892 PolarHBondContact NE1-SG 3.36Å; W608-C892 VanDerWaalsContact NE1-SG 3.36Å |
| 609 | A | 84.6 | Confident | 80.4 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.6 | -36.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R605 | R605-A609 WeakPolarHBondContact O-CB 3.44Å; R605-A609 PolarHBondContact O-N 3.02Å |
| 610 | N | 85.7 | Confident | 83 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 8.9 | 179 | -68.1 | -45 | 0 | 0 | 0 | 113.6 | M606 A607 W608 A612 T613 | M606-N610 WeakPolarHBondContact O-CB 3.22Å; M606-N610 PolarHBondContact O-N 3.19Å; M606-N610 PolarHBondContact O-ND2 3.3Å; M606-N610 VanDerWaalsContact O-ND2 3.08Å; A607-N610 CarbonylContact O-C 3.56Å; A607-N610 PolarHBondContact O-N 3.31Å; W608-N610 VanDerWaalsContact C-N 3.26Å; W608-N610 PolarHBondContact O-N 2.5Å; N610-A612 PolarHBondContact O-N 2.88Å; N610-T613 WeakPolarHBondContact O-CB 3.24Å; N610-T613 PolarHBondContact O-N 3.29Å; N610-T613 PolarHBondContact O-OG1 3.44Å |
| 611 | M | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -60.5 | -24.4 | -173 | -163.2 | 68.1 | 67.9 | 0 | 0 | 113.6 | A607 W608 T613 L614 L854 L864 M888 C892 L909 | A607-M611 PolarHBondContact O-N 2.85Å; W608-M611 HydrophobicContact CD2-CE 3.74Å; W608-M611 HydrophobicContact CE3-CB 4.48Å; W608-M611 HydrophobicContact CE3-CE 3.77Å; W608-M611 HydrophobicContact CE3-CG 4.39Å; W608-M611 HydrophobicContact CG-CE 4.2Å; W608-M611 HydrophobicContact CH2-CE 4.38Å; W608-M611 HydrophobicContact CZ2-CE 4.39Å; W608-M611 HydrophobicContact CZ3-CE 4.1Å; W608-M611 HydrophobicContact CZ3-CG 4.45Å; W608-M611 WeakPolarHBondContact O-CB 3.36Å; W608-M611 PolarHBondContact O-N 2.82Å; W608-M611 VanDerWaalsContact O-N 3.15Å; M611-T613 PolarHBondContact O-N 3.45Å; M611-L614 VanDerWaalsContact O-CB 3.28Å; M611-L614 WeakPolarHBondContact O-CB 3.44Å; M611-L614 PolarHBondContact O-N 2.88Å; M611-L854 HydrophobicContact CG-CD2 4.43Å; M611-L854 HydrophobicContact SD-CD2 4.18Å; M611-L864 HydrophobicContact CB-CD1 3.95Å; M611-L864 HydrophobicContact CB-CD2 3.83Å; M611-L864 HydrophobicContact CG-CD1 3.84Å; M611-L864 HydrophobicContact CG-CD2 4.37Å; M611-M888 HydrophobicContact CE-SD 4.27Å; M611-C892 WeakPolarHBondContact CE-O 3.27Å; M611-L909 HydrophobicContact SD-CD2 3.95Å |
| 612 | A | 85.3 | Confident | 85.7 | Confident | 48 Ų | 48 | 71 Ų | 71 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -65.6 | -17.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N610 L614 L864 | N610-A612 PolarHBondContact O-N 2.88Å; A612-L614 VanDerWaalsContact C-N 3.31Å; A612-L864 HydrophobicContact CB-CD2 4.09Å |
| 613 | T | 87.5 | Confident | 86.8 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -89.7 | 6.6 | 179.1 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | N610 M611 K615 | N610-T613 WeakPolarHBondContact O-CB 3.24Å; N610-T613 PolarHBondContact O-N 3.29Å; N610-T613 PolarHBondContact O-OG1 3.44Å; M611-T613 PolarHBondContact O-N 3.45Å; T613-K615 PolarHBondContact O-N 2.87Å |
| 614 | L | 91 | Very high | 87.6 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | trans | -58.7 | 122.4 | -177.2 | -169.4 | 75.7 | 0 | 0 | 0 | 111.3 | M611 A612 L854 L862 I876 V895 W907 L909 | M611-L614 VanDerWaalsContact O-CB 3.28Å; M611-L614 WeakPolarHBondContact O-CB 3.44Å; M611-L614 PolarHBondContact O-N 2.88Å; A612-L614 VanDerWaalsContact C-N 3.31Å; L614-L854 HydrophobicContact CD2-CD2 4.23Å; L614-L862 HydrophobicContact CD2-CD1 4.38Å; L614-I876 HydrophobicContact CB-CD1 3.87Å; L614-I876 HydrophobicContact CD2-CD1 4.46Å; L614-V895 HydrophobicContact CD1-CG2 4.32Å; L614-V895 HydrophobicContact CD2-CB 4.48Å; L614-V895 HydrophobicContact CD2-CG2 4.46Å; L614-W907 HydrophobicContact CD1-CB 3.74Å; L614-W907 HydrophobicContact CD2-CB 3.82Å; L614-W907 HydrophobicContact CD2-CD2 4.25Å; L614-W907 HydrophobicContact CD2-CE3 4.16Å; L614-W907 HydrophobicContact CD2-CG 4.11Å; L614-W907 HydrophobicContact CG-CB 3.73Å; L614-W907 HydrophobicContact CG-CE3 4.17Å; L614-W907 HydrophobicContact CG-CG 4.4Å; L614-L909 HydrophobicContact CB-CD2 4.06Å; L614-L909 HydrophobicContact CD1-CD2 3.75Å; L614-L909 HydrophobicContact CD1-CG 4.18Å | ||
| 615 | K | 89.8 | Confident | 88.5 | Confident | 112 Ų | 112 | 69.8 Ų | 69.8 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.4 | 179 | -74.5 | -170.9 | -180 | 168.4 | 0 | 112.3 | T613 I617 W907 R908 Q910 | T613-K615 PolarHBondContact O-N 2.87Å; K615-I617 PolarHBondContact O-N 2.92Å; K615-W907 WeakPolarHBondContact O-CA 3.01Å; K615-R908 PolarHBondContact N-O 2.97Å; K615-R908 PolarHBondContact O-N 3.1Å; K615-Q910 HydrophobicContact CD-CG 4.03Å; K615-Q910 HydrophobicContact CG-CG 4.41Å; K615-Q910 VanDerWaalsContact NZ-CD 3.33Å |
| 616 | R | 91.4 | Very high | 89.1 | Confident | 141 Ų | 141 | 61.7 Ų | 61.7 | 53% | 0.532 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 120.2 | 172.9 | -168.7 | 176.3 | 65.2 | -170.8 | -1.4 | 110 | M905 F906 W907 | R616-M905 VanDerWaalsContact CD-SD 3.56Å; R616-F906 CarbonylContact C-O 3.59Å; R616-F906 WeakPolarHBondContact CA-O 3.34Å; R616-W907 HydrophobicContact CB-CD2 4.38Å; R616-W907 HydrophobicContact CB-CE3 3.84Å; R616-W907 HydrophobicContact CB-CH2 3.85Å; R616-W907 HydrophobicContact CB-CZ2 4.38Å; R616-W907 HydrophobicContact CB-CZ3 3.58Å; R616-W907 HydrophobicContact CG-CH2 4.23Å; R616-W907 HydrophobicContact CG-CZ2 4.32Å; R616-W907 HydrophobicContact CG-CZ3 4.37Å |
| 617 | I | 89.3 | Confident | 89.8 | Confident | 109 Ų | 109 | 56 Ų | 56 | 56% | 0.559 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -50.5 | 174.8 | -61 | 163.9 | 0 | 0 | 0 | 110.3 | K615 F906 R908 | K615-I617 PolarHBondContact O-N 2.92Å; I617-F906 HydrophobicContact CB-CB 4.43Å; I617-F906 PolarHBondContact N-O 3Å; I617-R908 HydrophobicContact CD1-CB 3.36Å; I617-R908 HydrophobicContact CD1-CG 4.33Å; I617-R908 HydrophobicContact CG1-CB 3.96Å |
| 618 | S | 88.6 | Confident | 90.3 | Very high | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.3 | -176.7 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | H620 F906 | S618-H620 WeakPolarHBondContact CB-NE2 3.2Å; S618-H620 PolarHBondContact OG-NE2 3.34Å; S618-H620 VanDerWaalsContact OG-NE2 3.13Å; S618-F906 PolarHBondContact O-N 2.8Å; S618-F906 VanDerWaalsContact OG-CD2 3.28Å; S618-F906 WeakPolarHBondContact OG-CD2 3.5Å |
| 619 | S | 90.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.5 | 172 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | Q903 | S619-Q903 PolarHBondContact OG-OE1 3.01Å |
| 620 | H | 90.5 | Very high | 91.1 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 22% | 0.218 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121.7 | -178.5 | -59.4 | -86.3 | 0 | 0 | 0 | 110.4 | S618 I622 F651 Q903 I904 F906 | S618-H620 WeakPolarHBondContact CB-NE2 3.2Å; S618-H620 PolarHBondContact OG-NE2 3.34Å; S618-H620 VanDerWaalsContact OG-NE2 3.13Å; H620-I622 HydrophobicContact CB-CD1 3.96Å; H620-I622 HydrophobicContact CB-CG1 3.72Å; H620-I622 PolarHBondContact O-N 2.79Å; H620-F651 HydrophobicContact CB-CE2 4.49Å; H620-F651 AromaticContact CD2-CZ 3.79Å; H620-F651 AromaticContact CE1-CE2 3.94Å; H620-F651 AromaticContact CE1-CZ 3.6Å; H620-F651 AromaticContact CG-CE2 3.88Å; H620-F651 AromaticContact CG-CZ 3.96Å; H620-F651 AromaticContact ND1-CE2 3.74Å; H620-F651 AromaticContact ND1-CZ 3.85Å; H620-F651 AromaticContact NE2-CZ 3.56Å; H620-Q903 WeakPolarHBondContact O-CA 3.17Å; H620-I904 PolarHBondContact N-O 3.19Å; H620-I904 PolarHBondContact O-N 3.32Å; H620-F906 AromaticContact CD2-CD2 3.85Å; H620-F906 AromaticContact CD2-CE2 3.61Å |
| 621 | K | 90.8 | Very high | 91.4 | Very high | 141 Ų | 141 | 50.7 Ų | 50.7 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | trans | -89 | 85.6 | 173.3 | -169.5 | 174.2 | -175.8 | 172.2 | 0 | 109.8 | K902 Q903 | K621-K902 HydrophobicContact CG-CB 4.4Å; K621-Q903 HydrophobicContact CB-CG 4.05Å; K621-Q903 HydrophobicContact CG-CG 4.21Å | ||
| 622 | I | 87.4 | Confident | 91.6 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | trans | -95.7 | -32.7 | -173.4 | -41 | -175.8 | 0 | 0 | 0 | 111 | H620 K649 F651 F658 I904 | H620-I622 HydrophobicContact CB-CD1 3.96Å; H620-I622 HydrophobicContact CB-CG1 3.72Å; H620-I622 PolarHBondContact O-N 2.79Å; I622-K649 HydrophobicContact CB-CD 4.35Å; I622-K649 HydrophobicContact CG2-CB 4.32Å; I622-K649 HydrophobicContact CG2-CD 3.5Å; I622-K649 VanDerWaalsContact CG2-CD 3.5Å; I622-K649 WeakPolarHBondContact O-CE 3.38Å; I622-K649 PolarHBondContact O-NZ 3.42Å; I622-F651 HydrophobicContact CD1-CB 3.93Å; I622-F651 HydrophobicContact CD1-CD2 3.52Å; I622-F651 HydrophobicContact CD1-CE2 4.31Å; I622-F651 HydrophobicContact CD1-CG 3.95Å; I622-F658 HydrophobicContact CG2-CB 4.26Å; I622-F658 HydrophobicContact CG2-CD2 3.43Å; I622-F658 VanDerWaalsContact CG2-CD2 3.43Å; I622-F658 HydrophobicContact CG2-CE2 4.03Å; I622-F658 HydrophobicContact CG2-CG 4.03Å; I622-I904 HydrophobicContact CD1-CD1 4.28Å | ||
| 623 | H | 93.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | trans | -95.6 | 161.3 | -175.6 | -74.4 | -80.4 | 0 | 0 | 0 | 113.5 | E625 S641 S643 D645 T647 K649 K902 | H623-E625 WeakPolarHBondContact CB-O 3.4Å; H623-S641 PolarHBondContact CE1-O 2.98Å; H623-S641 PolarHBondContact NE2-O 2.88Å; H623-S641 PolarHBondContact NE2-OG 2.87Å; H623-S643 VanDerWaalsContact CE1-CB 3.5Å; H623-S643 WeakPolarHBondContact CE1-CB 3.22Å; H623-S643 VanDerWaalsContact CG-CB 3.47Å; H623-S643 WeakPolarHBondContact ND1-CB 3.42Å; H623-D645 IonicContact CG-OD2 3.38Å; H623-D645 IonicContact ND1-OD1 2.88Å; H623-D645 PolarHBondContact ND1-OD1 3.47Å; H623-D645 IonicContact ND1-OD2 3.81Å; H623-D645 PolarHBondContact ND1-OD2 3.42Å; H623-T647 PolarHBondContact CE1-O 2.69Å; H623-T647 PolarHBondContact ND1-OG1 2.76Å; H623-K649 VanDerWaalsContact CE1-CG 3.43Å; H623-K649 WeakPolarHBondContact CE1-CG 3.33Å; H623-K902 WeakPolarHBondContact O-CB 3.34Å | ||
| 624 | K | 92.4 | Very high | 91.3 | Very high | 157 Ų | 157 | 56.7 Ų | 56.7 | 68% | 0.683 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -91.4 | -20.8 | 173.8 | -67.1 | -178.3 | -178.1 | 176.3 | 0 | 112.6 | D645 K902 | K624-D645 HydrophobicContact CB-CB 3.96Å; K624-D645 PolarHBondContact N-OD2 2.89Å; K624-K902 WeakPolarHBondContact O-CD 3.47Å; K624-K902 VanDerWaalsContact O-CE 3.25Å; K624-K902 WeakPolarHBondContact O-CE 3.24Å; K624-K902 PolarHBondContact O-NZ 2.77Å |
| 625 | E | 95.3 | Very high | 90.7 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -133.4 | -174.6 | 176.2 | -66.4 | -54.8 | 141.1 | 0 | 0 | 110.8 | H623 S643 Q644 D645 K902 | H623-E625 WeakPolarHBondContact CB-O 3.4Å; E625-S643 PolarHBondContact O-OG 3.19Å; E625-Q644 HydrophobicContact CB-CB 3.92Å; E625-D645 HydrophobicContact CB-CB 4.05Å; E625-D645 HydrophobicContact CG-CB 4.18Å; E625-K902 VanDerWaalsContact CD-NZ 3.35Å; E625-K902 IonicContact OE1-NZ 3.01Å; E625-K902 PolarHBondContact OE1-NZ 2.83Å; E625-K902 IonicContact OE2-NZ 3.24Å; E625-K902 PolarHBondContact OE2-NZ 2.98Å; E625-K902 VanDerWaalsContact OE2-NZ 3.14Å |
| 626 | A | 94.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 58 Ų | 58 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | trans | -55.1 | 139.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S643 Q644 E900 | A626-S643 VanDerWaalsContact O-CA 3.23Å; A626-S643 WeakPolarHBondContact O-CA 3.4Å; A626-S643 VanDerWaalsContact O-CB 3.28Å; A626-S643 WeakPolarHBondContact O-CB 3.28Å; A626-S643 PolarHBondContact O-OG 2.97Å; A626-Q644 HydrophobicContact CB-CG 4.39Å; A626-Q644 PolarHBondContact O-N 3.5Å; A626-E900 HydrophobicContact CB-CB 4.44Å; A626-E900 HydrophobicContact CB-CG 4.21Å | ||
| 627 | V | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 137.1 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | I630 T642 T884 G899 I904 | V627-I630 HydrophobicContact CG1-CG1 4.23Å; V627-T642 WeakPolarHBondContact CA-O 3.39Å; V627-T884 VanDerWaalsContact O-CB 3.23Å; V627-T884 WeakPolarHBondContact O-CB 3.49Å; V627-T884 PolarHBondContact O-OG1 3.22Å; V627-G899 PolarHBondContact N-O 2.96Å; V627-I904 HydrophobicContact CG1-CG1 4.39Å; V627-I904 HydrophobicContact CG2-CG1 3.95Å |
| 628 | T | 94.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 17% | 0.172 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -28.9 | -173.1 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | T642 S643 Q644 L669 S670 | T628-T642 PolarHBondContact N-O 2.64Å; T628-T642 VanDerWaalsContact OG1-C 3.27Å; T628-T642 PolarHBondContact OG1-O 3.42Å; T628-T642 PolarHBondContact OG1-OG1 3.18Å; T628-S643 PolarHBondContact OG1-N 2.74Å; T628-Q644 HydrophobicContact CG2-CG 3.62Å; T628-L669 WeakPolarHBondContact CB-O 3.35Å; T628-L669 WeakPolarHBondContact CG2-O 3.22Å; T628-L669 PolarHBondContact OG1-O 2.82Å; T628-S670 CarbonylContact C-O 3.56Å; T628-S670 WeakPolarHBondContact CB-O 3.47Å; T628-S670 PolarHBondContact OG1-O 2.81Å |
| 629 | G | 93.7 | Very high | 90 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 154.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S641 T642 | G629-S641 WeakPolarHBondContact O-CA 3.46Å; G629-T642 VanDerWaalsContact CA-OG1 3.25Å; G629-T642 WeakPolarHBondContact CA-OG1 3.34Å; G629-T642 PolarHBondContact N-OG1 2.87Å; G629-T642 PolarHBondContact O-N 3.23Å |
| 630 | I | 95.7 | Very high | 90.1 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.2 | 179 | -58.5 | 174.4 | 0 | 0 | 0 | 108.5 | V627 V632 I639 F640 A885 W887 I896 | V627-I630 HydrophobicContact CG1-CG1 4.23Å; I630-V632 HydrophobicContact CG2-CG2 4.41Å; I630-I639 HydrophobicContact CG2-CG2 4.16Å; I630-F640 WeakPolarHBondContact CA-O 3.38Å; I630-A885 HydrophobicContact CD1-CB 4.03Å; I630-A885 HydrophobicContact CG1-CB 4Å; I630-W887 HydrophobicContact CB-CB 4.2Å; I630-W887 HydrophobicContact CG2-CB 3.9Å; I630-I896 HydrophobicContact CD1-CG2 4.02Å; I630-I896 HydrophobicContact CG2-CB 4.41Å; I630-I896 HydrophobicContact CG2-CG2 4.15Å |
| 631 | A | 93.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | F640 | A631-F640 HydrophobicContact CB-CB 4.35Å; A631-F640 PolarHBondContact N-O 3.48Å; A631-F640 PolarHBondContact O-N 3.1Å |
| 632 | V | 91.6 | Very high | 90.6 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.4 | -176.2 | -173 | 0 | 0 | 0 | 0 | 109.2 | I630 I639 W887 I896 | I630-V632 HydrophobicContact CG2-CG2 4.41Å; V632-I639 HydrophobicContact CG1-CG1 4.29Å; V632-I639 HydrophobicContact CG2-CG1 4.22Å; V632-I639 HydrophobicContact CG2-CG2 4.45Å; V632-W887 HydrophobicContact CB-CD2 4.22Å; V632-W887 HydrophobicContact CB-CE3 4.42Å; V632-W887 HydrophobicContact CB-CH2 3.89Å; V632-W887 HydrophobicContact CB-CZ2 3.69Å; V632-W887 HydrophobicContact CB-CZ3 4.26Å; V632-W887 HydrophobicContact CG1-CH2 4.02Å; V632-W887 HydrophobicContact CG1-CZ2 4.28Å; V632-W887 HydrophobicContact CG1-CZ3 4.38Å; V632-W887 HydrophobicContact CG2-CD2 3.53Å; V632-W887 HydrophobicContact CG2-CE3 3.64Å; V632-W887 HydrophobicContact CG2-CG 4.09Å; V632-W887 HydrophobicContact CG2-CH2 4Å; V632-W887 HydrophobicContact CG2-CZ2 3.95Å; V632-W887 HydrophobicContact CG2-CZ3 3.86Å; V632-I896 HydrophobicContact CG2-CD1 3.71Å |
| 633 | T | 87.8 | Confident | 91 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | trans | -66.3 | 152.6 | 172.7 | 51.3 | 0 | 0 | 0 | 0 | 111 | D635 G636 A637 S638 F640 M674 I695 | T633-D635 WeakPolarHBondContact CB-OD1 3.32Å; T633-D635 PolarHBondContact O-N 2.88Å; T633-D635 PolarHBondContact OG1-OD1 3.33Å; T633-G636 WeakPolarHBondContact O-CA 3.42Å; T633-G636 PolarHBondContact O-N 3.41Å; T633-A637 PolarHBondContact OG1-N 3.05Å; T633-S638 PolarHBondContact N-O 3.15Å; T633-S638 PolarHBondContact OG1-N 2.97Å; T633-S638 PolarHBondContact OG1-O 3.31Å; T633-S638 VanDerWaalsContact OG1-O 3.13Å; T633-F640 HydrophobicContact CG2-CE2 3.92Å; T633-M674 HydrophobicContact CG2-CE 3.58Å; T633-M674 HydrophobicContact CG2-SD 4.42Å; T633-I695 HydrophobicContact CG2-CD1 4.45Å | ||
| 634 | R | 79.3 | Confident | 91.1 | Very high | 201 Ų | 201 | 38.3 Ų | 38.3 | 76% | 0.758 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.6 | -178 | -71.8 | -175 | 175.5 | 179.6 | -5 | 113.6 | G636 A676 | R634-G636 PolarHBondContact O-N 2.73Å; R634-A676 PolarHBondContact NH1-O 2.88Å; R634-A676 PolarHBondContact NH2-O 2.9Å |
| 635 | D | 77.9 | Confident | 91.2 | Very high | 125 Ų | 125 | 32 Ų | 32 | 67% | 0.668 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.9 | 175.1 | 60.8 | 5.9 | 0 | 0 | 0 | 113.6 | T633 A637 | T633-D635 WeakPolarHBondContact CB-OD1 3.32Å; T633-D635 PolarHBondContact O-N 2.88Å; T633-D635 PolarHBondContact OG1-OD1 3.33Å; D635-A637 HydrophobicContact CB-CB 4.49Å; D635-A637 PolarHBondContact O-N 3.33Å; D635-A637 WeakPolarHBondContact OD1-CB 3.26Å; D635-A637 PolarHBondContact OD1-N 2.88Å |
| 636 | G | 80 | Confident | 91.1 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 67.3 | 14 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | T633 R634 K653 | T633-G636 WeakPolarHBondContact O-CA 3.42Å; T633-G636 PolarHBondContact O-N 3.41Å; R634-G636 PolarHBondContact O-N 2.73Å; G636-K653 VanDerWaalsContact O-CD 3.31Å; G636-K653 WeakPolarHBondContact O-CD 3.26Å |
| 637 | A | 83.3 | Confident | 91.1 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | trans | -80.3 | -36.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T633 D635 K653 | T633-A637 PolarHBondContact OG1-N 3.05Å; D635-A637 HydrophobicContact CB-CB 4.49Å; D635-A637 PolarHBondContact O-N 3.33Å; D635-A637 WeakPolarHBondContact OD1-CB 3.26Å; D635-A637 PolarHBondContact OD1-N 2.88Å; A637-K653 WeakPolarHBondContact O-CB 3.17Å; A637-K653 PolarHBondContact O-N 3.33Å | ||
| 638 | S | 88.9 | Confident | 91 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.8 | -178.8 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | T633 | T633-S638 PolarHBondContact N-O 3.15Å; T633-S638 PolarHBondContact OG1-N 2.97Å; T633-S638 PolarHBondContact OG1-O 3.31Å; T633-S638 VanDerWaalsContact OG1-O 3.13Å |
| 639 | I | 91.8 | Very high | 91 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.2 | 176 | -60.6 | 109.2 | 0 | 0 | 0 | 108.8 | I630 V632 M650 F651 K653 I896 F906 | I630-I639 HydrophobicContact CG2-CG2 4.16Å; V632-I639 HydrophobicContact CG1-CG1 4.29Å; V632-I639 HydrophobicContact CG2-CG1 4.22Å; V632-I639 HydrophobicContact CG2-CG2 4.45Å; I639-M650 CarbonylContact O-C 3.55Å; I639-M650 WeakPolarHBondContact O-CA 3.46Å; I639-F651 HydrophobicContact CD1-CD1 4.04Å; I639-F651 PolarHBondContact N-O 3.33Å; I639-F651 PolarHBondContact O-N 2.99Å; I639-K653 HydrophobicContact CD1-CB 4.17Å; I639-I896 HydrophobicContact CG1-CD1 3.95Å; I639-I896 HydrophobicContact CG2-CD1 4.36Å; I639-F906 HydrophobicContact CD1-CE1 3.44Å; I639-F906 VanDerWaalsContact CD1-CE1 3.44Å; I639-F906 HydrophobicContact CD1-CZ 3.76Å; I639-F906 HydrophobicContact CG1-CE1 3.96Å; I639-F906 HydrophobicContact CG1-CZ 4.35Å |
| 640 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.3 | 175.9 | -67.9 | -89.4 | 0 | 0 | 0 | 109.5 | I630 A631 T633 L648 K649 M650 M674 V681 Y693 I695 | I630-F640 WeakPolarHBondContact CA-O 3.38Å; A631-F640 HydrophobicContact CB-CB 4.35Å; A631-F640 PolarHBondContact N-O 3.48Å; A631-F640 PolarHBondContact O-N 3.1Å; T633-F640 HydrophobicContact CG2-CE2 3.92Å; F640-L648 HydrophobicContact CB-CD1 4.1Å; F640-L648 HydrophobicContact CD1-CD1 4.28Å; F640-L648 HydrophobicContact CD1-CD2 4.33Å; F640-L648 HydrophobicContact CD1-CG 4.39Å; F640-K649 CarbonylContact C-O 3.59Å; F640-K649 VanDerWaalsContact CA-O 3.27Å; F640-K649 WeakPolarHBondContact CA-O 3.46Å; F640-M650 HydrophobicContact CD1-CB 4.01Å; F640-M650 HydrophobicContact CD1-CG 4.01Å; F640-M650 HydrophobicContact CE1-CB 3.72Å; F640-M650 HydrophobicContact CE1-CG 3.44Å; F640-M650 VanDerWaalsContact CE1-CG 3.44Å; F640-M650 HydrophobicContact CE1-SD 3.52Å; F640-M650 VanDerWaalsContact CE1-SD 3.52Å; F640-M650 HydrophobicContact CE2-CG 4.21Å; F640-M650 HydrophobicContact CE2-SD 4.37Å; F640-M650 HydrophobicContact CZ-CB 4.35Å; F640-M650 HydrophobicContact CZ-CG 3.56Å; F640-M650 HydrophobicContact CZ-SD 3.36Å; F640-M650 WeakPolarHBondContact CZ-SD 3.4Å; F640-M674 HydrophobicContact CD2-CE 3.51Å; F640-M674 HydrophobicContact CE2-CE 3.55Å; F640-V681 HydrophobicContact CB-CG1 4.39Å; F640-V681 HydrophobicContact CD1-CG2 3.9Å; F640-V681 HydrophobicContact CD2-CG2 3.88Å; F640-V681 HydrophobicContact CE1-CG2 3.92Å; F640-V681 HydrophobicContact CE2-CG2 3.92Å; F640-V681 HydrophobicContact CG-CG1 4.41Å; F640-V681 HydrophobicContact CG-CG2 3.86Å; F640-V681 HydrophobicContact CZ-CG2 3.94Å; F640-Y693 HydrophobicContact CE1-CD1 4.43Å; F640-Y693 HydrophobicContact CE1-CE1 4.25Å; F640-I695 HydrophobicContact CE1-CG1 4.29Å; F640-I695 HydrophobicContact CE2-CD1 3.75Å; F640-I695 HydrophobicContact CE2-CG1 4.3Å; F640-I695 HydrophobicContact CZ-CD1 3.6Å; F640-I695 HydrophobicContact CZ-CG1 3.63Å; F640-I695 HydrophobicContact CZ-CG2 4.15Å |
| 641 | S | 95.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.3 | 178.3 | 57 | 0 | 0 | 0 | 0 | 111.5 | H623 G629 L648 K649 I904 | H623-S641 PolarHBondContact CE1-O 2.98Å; H623-S641 PolarHBondContact NE2-O 2.88Å; H623-S641 PolarHBondContact NE2-OG 2.87Å; G629-S641 WeakPolarHBondContact O-CA 3.46Å; S641-L648 WeakPolarHBondContact O-CA 3.42Å; S641-K649 PolarHBondContact N-O 3.08Å; S641-K649 PolarHBondContact O-N 3.47Å; S641-I904 WeakPolarHBondContact OG-CD1 3.4Å |
| 642 | T | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 154.7 | 172.5 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | V627 T628 G629 L648 L669 C672 C683 | V627-T642 WeakPolarHBondContact CA-O 3.39Å; T628-T642 PolarHBondContact N-O 2.64Å; T628-T642 VanDerWaalsContact OG1-C 3.27Å; T628-T642 PolarHBondContact OG1-O 3.42Å; T628-T642 PolarHBondContact OG1-OG1 3.18Å; G629-T642 VanDerWaalsContact CA-OG1 3.25Å; G629-T642 WeakPolarHBondContact CA-OG1 3.34Å; G629-T642 PolarHBondContact N-OG1 2.87Å; G629-T642 PolarHBondContact O-N 3.23Å; T642-L648 HydrophobicContact CG2-CD1 3.78Å; T642-L669 HydrophobicContact CG2-CB 3.91Å; T642-L669 HydrophobicContact CG2-CD1 3.75Å; T642-L669 HydrophobicContact CG2-CG 4.49Å; T642-C672 HydrophobicContact CG2-CB 3.59Å; T642-C683 HydrophobicContact CG2-CB 4.32Å |
| 643 | S | 96.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.6 | -177.9 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | H623 E625 A626 T628 D645 S646 T647 L669 | H623-S643 VanDerWaalsContact CE1-CB 3.5Å; H623-S643 WeakPolarHBondContact CE1-CB 3.22Å; H623-S643 VanDerWaalsContact CG-CB 3.47Å; H623-S643 WeakPolarHBondContact ND1-CB 3.42Å; E625-S643 PolarHBondContact O-OG 3.19Å; A626-S643 VanDerWaalsContact O-CA 3.23Å; A626-S643 WeakPolarHBondContact O-CA 3.4Å; A626-S643 VanDerWaalsContact O-CB 3.28Å; A626-S643 WeakPolarHBondContact O-CB 3.28Å; A626-S643 PolarHBondContact O-OG 2.97Å; T628-S643 PolarHBondContact OG1-N 2.74Å; S643-D645 VanDerWaalsContact CB-OD1 3.32Å; S643-D645 WeakPolarHBondContact CB-OD1 3.39Å; S643-D645 PolarHBondContact O-N 2.95Å; S643-D645 PolarHBondContact OG-N 3.28Å; S643-D645 PolarHBondContact OG-OD1 3.49Å; S643-S646 PolarHBondContact O-N 2.65Å; S643-T647 PolarHBondContact N-O 2.9Å; S643-L669 PolarHBondContact O-N 2.87Å |
| 644 | Q | 95.2 | Very high | 89.2 | Confident | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.3 | 169.4 | -63.9 | -177.5 | -0.3 | 0 | 0 | 113.6 | E625 A626 T628 S646 A668 | E625-Q644 HydrophobicContact CB-CB 3.92Å; A626-Q644 HydrophobicContact CB-CG 4.39Å; A626-Q644 PolarHBondContact O-N 3.5Å; T628-Q644 HydrophobicContact CG2-CG 3.62Å; Q644-S646 PolarHBondContact O-N 3.44Å; Q644-S646 VanDerWaalsContact O-N 3.15Å; Q644-A668 HydrophobicContact CB-CB 4.09Å; Q644-A668 HydrophobicContact CG-CB 4.19Å |
| 645 | D | 93.8 | Very high | 89.1 | Confident | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 12.1 | 173.5 | 72.4 | 8.1 | 0 | 0 | 0 | 114.5 | H623 K624 E625 S643 T647 | H623-D645 IonicContact CG-OD2 3.38Å; H623-D645 IonicContact ND1-OD1 2.88Å; H623-D645 PolarHBondContact ND1-OD1 3.47Å; H623-D645 IonicContact ND1-OD2 3.81Å; H623-D645 PolarHBondContact ND1-OD2 3.42Å; K624-D645 HydrophobicContact CB-CB 3.96Å; K624-D645 PolarHBondContact N-OD2 2.89Å; E625-D645 HydrophobicContact CB-CB 4.05Å; E625-D645 HydrophobicContact CG-CB 4.18Å; S643-D645 VanDerWaalsContact CB-OD1 3.32Å; S643-D645 WeakPolarHBondContact CB-OD1 3.39Å; S643-D645 PolarHBondContact O-N 2.95Å; S643-D645 PolarHBondContact OG-N 3.28Å; S643-D645 PolarHBondContact OG-OD1 3.49Å; D645-T647 VanDerWaalsContact CG-OG1 3.31Å; D645-T647 PolarHBondContact O-N 3.26Å; D645-T647 WeakPolarHBondContact OD1-CB 3.39Å; D645-T647 PolarHBondContact OD1-N 3.39Å; D645-T647 PolarHBondContact OD1-OG1 3.03Å; D645-T647 PolarHBondContact OD2-OG1 3.49Å |
| 646 | S | 92.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 63.5 | 15.4 | -176.7 | 85.5 | 0 | 0 | 0 | 0 | 116.1 | S643 Q644 S663 S665 M667 | S643-S646 PolarHBondContact O-N 2.65Å; Q644-S646 PolarHBondContact O-N 3.44Å; Q644-S646 VanDerWaalsContact O-N 3.15Å; S646-S663 WeakPolarHBondContact O-CA 3.48Å; S646-S663 PolarHBondContact O-OG 2.79Å; S646-S663 VanDerWaalsContact O-OG 3.1Å; S646-S663 PolarHBondContact OG-OG 3.09Å; S646-S663 VanDerWaalsContact OG-OG 3.07Å; S646-S665 WeakPolarHBondContact CB-O 3.35Å; S646-S665 PolarHBondContact OG-O 2.8Å; S646-M667 WeakPolarHBondContact CA-O 3.49Å; S646-M667 WeakPolarHBondContact CB-O 3.31Å |
| 647 | T | 94.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.8 | -178 | 72.4 | 0 | 0 | 0 | 0 | 114.1 | H623 S643 D645 K649 V662 L669 | H623-T647 PolarHBondContact CE1-O 2.69Å; H623-T647 PolarHBondContact ND1-OG1 2.76Å; S643-T647 PolarHBondContact N-O 2.9Å; D645-T647 VanDerWaalsContact CG-OG1 3.31Å; D645-T647 PolarHBondContact O-N 3.26Å; D645-T647 WeakPolarHBondContact OD1-CB 3.39Å; D645-T647 PolarHBondContact OD1-N 3.39Å; D645-T647 PolarHBondContact OD1-OG1 3.03Å; D645-T647 PolarHBondContact OD2-OG1 3.49Å; T647-K649 WeakPolarHBondContact OG1-CE 3.46Å; T647-V662 CarbonylContact C-O 3.54Å; T647-V662 VanDerWaalsContact CA-O 3.3Å; T647-V662 WeakPolarHBondContact CA-O 3.44Å; T647-L669 VanDerWaalsContact C-CD1 3.49Å |
| 648 | L | 95.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.5 | 158.6 | 176.2 | 70.2 | 0 | 0 | 0 | 108.3 | F640 S641 T642 S661 V662 F664 L669 V681 Y693 | F640-L648 HydrophobicContact CB-CD1 4.1Å; F640-L648 HydrophobicContact CD1-CD1 4.28Å; F640-L648 HydrophobicContact CD1-CD2 4.33Å; F640-L648 HydrophobicContact CD1-CG 4.39Å; S641-L648 WeakPolarHBondContact O-CA 3.42Å; T642-L648 HydrophobicContact CG2-CD1 3.78Å; L648-S661 WeakPolarHBondContact O-CA 3.26Å; L648-V662 PolarHBondContact N-O 3.4Å; L648-V662 PolarHBondContact O-N 3.26Å; L648-F664 HydrophobicContact CB-CE2 3.74Å; L648-F664 HydrophobicContact CB-CZ 4.33Å; L648-F664 HydrophobicContact CD2-CE2 4.07Å; L648-F664 HydrophobicContact CD2-CZ 3.99Å; L648-L669 HydrophobicContact CB-CD1 4.16Å; L648-V681 HydrophobicContact CD1-CG1 4.39Å; L648-V681 HydrophobicContact CD2-CG1 4.33Å; L648-Y693 HydrophobicContact CD2-CD1 3.77Å; L648-Y693 HydrophobicContact CD2-CE1 4.41Å; L648-Y693 HydrophobicContact CD2-CG 3.88Å |
| 649 | K | 94.1 | Very high | 89 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.1 | 179.3 | -69.4 | -163.9 | -172.6 | -158.1 | 0 | 111.5 | I622 H623 F640 S641 T647 F658 R660 S661 | I622-K649 HydrophobicContact CB-CD 4.35Å; I622-K649 HydrophobicContact CG2-CB 4.32Å; I622-K649 HydrophobicContact CG2-CD 3.5Å; I622-K649 VanDerWaalsContact CG2-CD 3.5Å; I622-K649 WeakPolarHBondContact O-CE 3.38Å; I622-K649 PolarHBondContact O-NZ 3.42Å; H623-K649 VanDerWaalsContact CE1-CG 3.43Å; H623-K649 WeakPolarHBondContact CE1-CG 3.33Å; F640-K649 CarbonylContact C-O 3.59Å; F640-K649 VanDerWaalsContact CA-O 3.27Å; F640-K649 WeakPolarHBondContact CA-O 3.46Å; S641-K649 PolarHBondContact N-O 3.08Å; S641-K649 PolarHBondContact O-N 3.47Å; T647-K649 WeakPolarHBondContact OG1-CE 3.46Å; K649-F658 HydrophobicContact CB-CD2 4.27Å; K649-F658 HydrophobicContact CB-CE2 3.67Å; K649-F658 HydrophobicContact CD-CD2 4.28Å; K649-F658 HydrophobicContact CD-CE2 3.62Å; K649-F658 HydrophobicContact CD-CZ 4.23Å; K649-F658 HydrophobicContact CG-CE2 3.67Å; K649-F658 HydrophobicContact CG-CZ 4.34Å; K649-R660 CarbonylContact C-O 3.58Å; K649-R660 WeakPolarHBondContact CA-O 3.32Å; K649-S661 WeakPolarHBondContact CE-OG 3.26Å |
| 650 | M | 92.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.8 | 177.1 | -168.5 | 178.9 | 88.4 | 0 | 0 | 109.8 | I639 F640 Q659 R660 I695 | I639-M650 CarbonylContact O-C 3.55Å; I639-M650 WeakPolarHBondContact O-CA 3.46Å; F640-M650 HydrophobicContact CD1-CB 4.01Å; F640-M650 HydrophobicContact CD1-CG 4.01Å; F640-M650 HydrophobicContact CE1-CB 3.72Å; F640-M650 HydrophobicContact CE1-CG 3.44Å; F640-M650 VanDerWaalsContact CE1-CG 3.44Å; F640-M650 HydrophobicContact CE1-SD 3.52Å; F640-M650 VanDerWaalsContact CE1-SD 3.52Å; F640-M650 HydrophobicContact CE2-CG 4.21Å; F640-M650 HydrophobicContact CE2-SD 4.37Å; F640-M650 HydrophobicContact CZ-CB 4.35Å; F640-M650 HydrophobicContact CZ-CG 3.56Å; F640-M650 HydrophobicContact CZ-SD 3.36Å; F640-M650 WeakPolarHBondContact CZ-SD 3.4Å; M650-Q659 HydrophobicContact CE-CB 3.64Å; M650-Q659 HydrophobicContact CE-CG 4.34Å; M650-Q659 PolarHBondContact O-N 3.24Å; M650-R660 HydrophobicContact CB-CB 4.05Å; M650-R660 HydrophobicContact CE-CB 4.49Å; M650-R660 HydrophobicContact CE-CG 3.93Å; M650-R660 PolarHBondContact N-O 3.32Å; M650-R660 PolarHBondContact O-N 2.64Å; M650-I695 HydrophobicContact SD-CG2 4.39Å |
| 651 | F | 90.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.4 | 177.2 | -178.5 | -94.1 | 0 | 0 | 0 | 109.8 | H620 I622 I639 K656 E657 F906 | H620-F651 HydrophobicContact CB-CE2 4.49Å; H620-F651 AromaticContact CD2-CZ 3.79Å; H620-F651 AromaticContact CE1-CE2 3.94Å; H620-F651 AromaticContact CE1-CZ 3.6Å; H620-F651 AromaticContact CG-CE2 3.88Å; H620-F651 AromaticContact CG-CZ 3.96Å; H620-F651 AromaticContact ND1-CE2 3.74Å; H620-F651 AromaticContact ND1-CZ 3.85Å; H620-F651 AromaticContact NE2-CZ 3.56Å; I622-F651 HydrophobicContact CD1-CB 3.93Å; I622-F651 HydrophobicContact CD1-CD2 3.52Å; I622-F651 HydrophobicContact CD1-CE2 4.31Å; I622-F651 HydrophobicContact CD1-CG 3.95Å; I639-F651 HydrophobicContact CD1-CD1 4.04Å; I639-F651 PolarHBondContact N-O 3.33Å; I639-F651 PolarHBondContact O-N 2.99Å; F651-K656 VanDerWaalsContact CZ-C 3.46Å; F651-E657 WeakPolarHBondContact CD2-O 3.18Å; F651-F906 HydrophobicContact CD1-CE2 4.33Å; F651-F906 AromaticContact CD1-CZ 3.88Å; F651-F906 HydrophobicContact CD1-CZ 3.88Å; F651-F906 HydrophobicContact CE1-CE2 4.07Å; F651-F906 AromaticContact CE1-CZ 3.97Å; F651-F906 HydrophobicContact CE1-CZ 3.97Å |
| 652 | S | 86.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.4 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110 | L655 K656 E657 | S652-L655 PolarHBondContact OG-N 3.2Å; S652-K656 VanDerWaalsContact O-CA 3.26Å; S652-K656 WeakPolarHBondContact O-CA 3.31Å; S652-K656 PolarHBondContact O-N 3.44Å; S652-E657 PolarHBondContact N-O 2.79Å; S652-E657 PolarHBondContact O-N 3.24Å |
| 653 | K | 78.2 | Confident | 88.1 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 41% | 0.409 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -36.7 | 177.6 | -174.5 | -178.8 | 175.9 | -175.8 | 0 | 112.5 | G636 A637 I639 K656 | G636-K653 VanDerWaalsContact O-CD 3.31Å; G636-K653 WeakPolarHBondContact O-CD 3.26Å; A637-K653 WeakPolarHBondContact O-CB 3.17Å; A637-K653 PolarHBondContact O-N 3.33Å; I639-K653 HydrophobicContact CD1-CB 4.17Å; K653-K656 WeakPolarHBondContact O-CG 3.42Å; K653-K656 PolarHBondContact O-N 2.93Å |
| 654 | E | 77.6 | Confident | 87.6 | Confident | 159 Ų | 159 | 59.3 Ų | 59.3 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -48.8 | -179.4 | -67.6 | -176.5 | 169 | 0 | 0 | 111.2 | K656 | E654-K656 VanDerWaalsContact C-N 3.3Š|
| 655 | L | 75.4 | Confident | 87.3 | Confident | 97 Ų | 97 | 56 Ų | 56 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.1 | -179.8 | -57.3 | -177.1 | 0 | 0 | 0 | 112.6 | S652 E657 | S652-L655 PolarHBondContact OG-N 3.2Å; L655-E657 HydrophobicContact CB-CG 3.61Å; L655-E657 WeakPolarHBondContact CB-OE1 3.45Å; L655-E657 HydrophobicContact CD1-CG 4.46Å; L655-E657 WeakPolarHBondContact CD1-OE1 3Å; L655-E657 PolarHBondContact O-N 3.07Å |
| 656 | K | 78.6 | Confident | 87 | Confident | 158 Ų | 158 | 62.4 Ų | 62.4 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 31 | -175 | -59.3 | -178.6 | -179.4 | 177.3 | 0 | 113.2 | F651 S652 K653 E654 | F651-K656 VanDerWaalsContact CZ-C 3.46Å; S652-K656 VanDerWaalsContact O-CA 3.26Å; S652-K656 WeakPolarHBondContact O-CA 3.31Å; S652-K656 PolarHBondContact O-N 3.44Å; K653-K656 WeakPolarHBondContact O-CG 3.42Å; K653-K656 PolarHBondContact O-N 2.93Å; E654-K656 VanDerWaalsContact C-N 3.3Å |
| 657 | E | 81.6 | Confident | 87.1 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 156.7 | -174.7 | 71.4 | -172.7 | 160.2 | 0 | 0 | 112.2 | F651 S652 L655 | F651-E657 WeakPolarHBondContact CD2-O 3.18Å; S652-E657 PolarHBondContact N-O 2.79Å; S652-E657 PolarHBondContact O-N 3.24Å; L655-E657 HydrophobicContact CB-CG 3.61Å; L655-E657 WeakPolarHBondContact CB-OE1 3.45Å; L655-E657 HydrophobicContact CD1-CG 4.46Å; L655-E657 WeakPolarHBondContact CD1-OE1 3Å; L655-E657 PolarHBondContact O-N 3.07Å |
| 658 | F | 83.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.3 | 173.1 | 167.4 | -100.5 | 0 | 0 | 0 | 110 | I622 K649 R660 | I622-F658 HydrophobicContact CG2-CB 4.26Å; I622-F658 HydrophobicContact CG2-CD2 3.43Å; I622-F658 VanDerWaalsContact CG2-CD2 3.43Å; I622-F658 HydrophobicContact CG2-CE2 4.03Å; I622-F658 HydrophobicContact CG2-CG 4.03Å; K649-F658 HydrophobicContact CB-CD2 4.27Å; K649-F658 HydrophobicContact CB-CE2 3.67Å; K649-F658 HydrophobicContact CD-CD2 4.28Å; K649-F658 HydrophobicContact CD-CE2 3.62Å; K649-F658 HydrophobicContact CD-CZ 4.23Å; K649-F658 HydrophobicContact CG-CE2 3.67Å; K649-F658 HydrophobicContact CG-CZ 4.34Å; F658-R660 VanDerWaalsContact CE2-C 3.47Å; F658-R660 WeakPolarHBondContact CE2-O 3.29Å; F658-R660 VanDerWaalsContact CZ-O 3.28Å; F658-R660 WeakPolarHBondContact CZ-O 3.38Å |
| 659 | Q | 85.4 | Confident | 87.1 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -45.5 | -175.3 | -72.3 | -162.3 | -9.9 | 0 | 0 | 113.8 | M650 | M650-Q659 HydrophobicContact CE-CB 3.64Å; M650-Q659 HydrophobicContact CE-CG 4.34Å; M650-Q659 PolarHBondContact O-N 3.24Å |
| 660 | R | 85.6 | Confident | 87.1 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.8 | -171.3 | -61.1 | -177.2 | -178.2 | 172.7 | 0.1 | 112.1 | K649 M650 F658 I695 | K649-R660 CarbonylContact C-O 3.58Å; K649-R660 WeakPolarHBondContact CA-O 3.32Å; M650-R660 HydrophobicContact CB-CB 4.05Å; M650-R660 HydrophobicContact CE-CB 4.49Å; M650-R660 HydrophobicContact CE-CG 3.93Å; M650-R660 PolarHBondContact N-O 3.32Å; M650-R660 PolarHBondContact O-N 2.64Å; F658-R660 VanDerWaalsContact CE2-C 3.47Å; F658-R660 WeakPolarHBondContact CE2-O 3.29Å; F658-R660 VanDerWaalsContact CZ-O 3.28Å; F658-R660 WeakPolarHBondContact CZ-O 3.38Å; R660-I695 PolarHBondContact NH1-O 3.08Å |
| 661 | S | 91.5 | Very high | 87.2 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.8 | 167.6 | -133.7 | 0 | 0 | 0 | 0 | 108.4 | L648 K649 | L648-S661 WeakPolarHBondContact O-CA 3.26Å; K649-S661 WeakPolarHBondContact CE-OG 3.26Å |
| 662 | V | 91 | Very high | 87.4 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.8 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | T647 L648 F664 Y693 | T647-V662 CarbonylContact C-O 3.54Å; T647-V662 VanDerWaalsContact CA-O 3.3Å; T647-V662 WeakPolarHBondContact CA-O 3.44Å; L648-V662 PolarHBondContact N-O 3.4Å; L648-V662 PolarHBondContact O-N 3.26Å; V662-F664 HydrophobicContact CB-CZ 4.3Å; V662-F664 HydrophobicContact CG1-CD1 3.97Å; V662-F664 HydrophobicContact CG1-CE1 3.53Å; V662-F664 HydrophobicContact CG1-CE2 4.42Å; V662-F664 HydrophobicContact CG1-CZ 3.76Å; V662-Y693 HydrophobicContact CB-CE2 4.27Å; V662-Y693 HydrophobicContact CG1-CE2 4.38Å; V662-Y693 HydrophobicContact CG2-CD2 4.39Å; V662-Y693 HydrophobicContact CG2-CE2 3.57Å |
| 663 | S | 90 | Very high | 87.8 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.2 | 166.8 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | S646 S665 | S646-S663 WeakPolarHBondContact O-CA 3.48Å; S646-S663 PolarHBondContact O-OG 2.79Å; S646-S663 VanDerWaalsContact O-OG 3.1Å; S646-S663 PolarHBondContact OG-OG 3.09Å; S646-S663 VanDerWaalsContact OG-OG 3.07Å; S663-S665 PolarHBondContact OG-O 3.28Å |
| 664 | F | 86.6 | Confident | 88.4 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | trans | -99 | -32.2 | 179 | -57.2 | -70.9 | 0 | 0 | 0 | 111.9 | L648 V662 L669 C683 Y691 Y693 R700 | L648-F664 HydrophobicContact CB-CE2 3.74Å; L648-F664 HydrophobicContact CB-CZ 4.33Å; L648-F664 HydrophobicContact CD2-CE2 4.07Å; L648-F664 HydrophobicContact CD2-CZ 3.99Å; V662-F664 HydrophobicContact CB-CZ 4.3Å; V662-F664 HydrophobicContact CG1-CD1 3.97Å; V662-F664 HydrophobicContact CG1-CE1 3.53Å; V662-F664 HydrophobicContact CG1-CE2 4.42Å; V662-F664 HydrophobicContact CG1-CZ 3.76Å; F664-L669 HydrophobicContact CD2-CD1 4.09Å; F664-L669 HydrophobicContact CD2-CD2 4.25Å; F664-L669 HydrophobicContact CE2-CD1 4.34Å; F664-C683 HydrophobicContact CE2-CB 4.18Å; F664-Y691 HydrophobicContact CB-CD1 3.83Å; F664-Y691 HydrophobicContact CB-CD2 3.46Å; F664-Y691 VanDerWaalsContact CB-CD2 3.46Å; F664-Y691 HydrophobicContact CB-CE1 3.87Å; F664-Y691 HydrophobicContact CB-CE2 3.51Å; F664-Y691 HydrophobicContact CB-CG 3.61Å; F664-Y691 HydrophobicContact CD1-CD1 4.18Å; F664-Y691 HydrophobicContact CD1-CG 4.01Å; F664-Y691 HydrophobicContact CD2-CD2 4.05Å; F664-Y691 HydrophobicContact CD2-CG 4.12Å; F664-Y691 HydrophobicContact CG-CD1 4.11Å; F664-Y691 AromaticContact CG-CD2 3.81Å; F664-Y691 HydrophobicContact CG-CD2 3.81Å; F664-Y691 HydrophobicContact CG-CE2 4.37Å; F664-Y691 AromaticContact CG-CG 3.65Å; F664-Y691 HydrophobicContact CG-CG 3.65Å; F664-Y693 HydrophobicContact CE1-CD2 4.08Å; F664-Y693 AromaticContact CZ-CD2 3.96Å; F664-Y693 HydrophobicContact CZ-CD2 3.96Å; F664-Y693 HydrophobicContact CZ-CG 4.14Å; F664-R700 HydrophobicContact CD1-CB 4.29Å; F664-R700 HydrophobicContact CD1-CG 4.27Å; F664-R700 HydrophobicContact CE1-CB 4.15Å; F664-R700 HydrophobicContact CE1-CG 4.37Å | ||
| 665 | S | 87.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 57 Ų | 57 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | trans | -149.4 | 177.5 | -175.7 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | S646 S663 M667 S685 D687 | S646-S665 WeakPolarHBondContact CB-O 3.35Å; S646-S665 PolarHBondContact OG-O 2.8Å; S663-S665 PolarHBondContact OG-O 3.28Å; S665-M667 VanDerWaalsContact C-N 3.29Å; S665-M667 PolarHBondContact OG-N 3.03Å; S665-M667 PolarHBondContact OG-O 2.76Å; S665-S685 PolarHBondContact OG-OG 2.81Å; S665-D687 WeakPolarHBondContact CB-OD2 3.38Å; S665-D687 PolarHBondContact OG-OD2 3.08Å | ||
| 666 | N | 88.1 | Confident | 88.9 | Confident | 159 Ų | 159 | 55 Ų | 55 | 85% | 0.85 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -89.9 | 4.3 | 173.5 | -65.4 | -19 | 0 | 0 | 0 | 112.7 | ||
| 667 | M | 94.1 | Very high | 88.8 | Confident | 102 Ų | 102 | 51.2 Ų | 51.2 | 50% | 0.502 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -105.4 | 158.2 | -179.7 | -68.3 | -63.4 | 165.6 | 0 | 0 | 110.8 | S646 S665 W686 D687 | S646-M667 WeakPolarHBondContact CA-O 3.49Å; S646-M667 WeakPolarHBondContact CB-O 3.31Å; S665-M667 VanDerWaalsContact C-N 3.29Å; S665-M667 PolarHBondContact OG-N 3.03Å; S665-M667 PolarHBondContact OG-O 2.76Å; M667-W686 HydrophobicContact CB-CB 4.26Å; M667-D687 HydrophobicContact CB-CB 4.03Å; M667-D687 HydrophobicContact CG-CB 3.99Å |
| 668 | A | 94.6 | Very high | 88.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -60.3 | 144 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q644 S685 W686 | Q644-A668 HydrophobicContact CB-CB 4.09Å; Q644-A668 HydrophobicContact CG-CB 4.19Å; A668-S685 WeakPolarHBondContact O-CA 3.33Å; A668-W686 HydrophobicContact CB-CD2 3.67Å; A668-W686 HydrophobicContact CB-CE3 3.58Å; A668-W686 HydrophobicContact CB-CG 4.24Å; A668-W686 HydrophobicContact CB-CH2 4.14Å; A668-W686 HydrophobicContact CB-CZ2 4.23Å; A668-W686 HydrophobicContact CB-CZ3 3.82Å; A668-W686 PolarHBondContact O-N 3.4Å | ||
| 669 | L | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.1 | 168.5 | -59.3 | -175.6 | 0 | 0 | 0 | 109.2 | T628 T642 S643 T647 L648 F664 S684 | T628-L669 WeakPolarHBondContact CB-O 3.35Å; T628-L669 WeakPolarHBondContact CG2-O 3.22Å; T628-L669 PolarHBondContact OG1-O 2.82Å; T642-L669 HydrophobicContact CG2-CB 3.91Å; T642-L669 HydrophobicContact CG2-CD1 3.75Å; T642-L669 HydrophobicContact CG2-CG 4.49Å; S643-L669 PolarHBondContact O-N 2.87Å; T647-L669 VanDerWaalsContact C-CD1 3.49Å; L648-L669 HydrophobicContact CB-CD1 4.16Å; F664-L669 HydrophobicContact CD2-CD1 4.09Å; F664-L669 HydrophobicContact CD2-CD2 4.25Å; F664-L669 HydrophobicContact CE2-CD1 4.34Å; L669-S684 CarbonylContact C-O 3.55Å; L669-S684 VanDerWaalsContact CA-O 3.29Å; L669-S684 WeakPolarHBondContact CA-O 3.44Å |
| 670 | S | 93.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -51.2 | -171.5 | -33.1 | 0 | 0 | 0 | 0 | 112.7 | T628 S684 W686 V711 S712 | T628-S670 CarbonylContact C-O 3.56Å; T628-S670 WeakPolarHBondContact CB-O 3.47Å; T628-S670 PolarHBondContact OG1-O 2.81Å; S670-S684 PolarHBondContact N-O 3.41Å; S670-W686 PolarHBondContact OG-NE1 2.88Å; S670-W686 VanDerWaalsContact OG-NE1 3.17Å; S670-V711 WeakPolarHBondContact CB-O 3.43Å; S670-V711 PolarHBondContact OG-O 3.49Å; S670-S712 WeakPolarHBondContact CB-O 3.2Å |
| 671 | S | 94.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.1 | -178.4 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | C683 S684 | S671-C683 WeakPolarHBondContact O-CA 3.33Å; S671-S684 PolarHBondContact N-OG 2.94Å; S671-S684 PolarHBondContact O-N 3.07Å; S671-S684 PolarHBondContact O-OG 3.26Å |
| 672 | C | 95.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.054 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 146.5 | 172.5 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | T642 V681 L682 | T642-C672 HydrophobicContact CG2-CB 3.59Å; C672-V681 HydrophobicContact CB-CG1 4.37Å; C672-L682 WeakPolarHBondContact CA-O 3.38Å; C672-L682 VanDerWaalsContact CB-O 3.29Å; C672-L682 WeakPolarHBondContact CB-O 3.36Å |
| 673 | L | 93.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.7 | 174.8 | 67.3 | 81.1 | 0 | 0 | 0 | 111.5 | L675 V681 L682 M714 W716 | L673-L675 HydrophobicContact CD1-CD2 3.99Å; L673-V681 WeakPolarHBondContact O-CA 2.94Å; L673-L682 HydrophobicContact CD1-CB 4.07Å; L673-L682 HydrophobicContact CD1-CD1 4.26Å; L673-L682 HydrophobicContact CD1-CD2 4.26Å; L673-L682 HydrophobicContact CD1-CG 4.44Å; L673-L682 HydrophobicContact CG-CB 4.11Å; L673-L682 PolarHBondContact N-O 2.84Å; L673-L682 VanDerWaalsContact N-O 3.13Å; L673-L682 PolarHBondContact O-N 3.44Å; L673-M714 HydrophobicContact CD2-CB 4.22Å; L673-M714 HydrophobicContact CD2-CG 3.67Å; L673-M714 HydrophobicContact CD2-SD 3.68Å; L673-M714 HydrophobicContact CG-CG 4.28Å; L673-M714 HydrophobicContact CG-SD 3.77Å; L673-W716 HydrophobicContact CD1-CB 3.82Å; L673-W716 HydrophobicContact CD2-CB 3.93Å |
| 674 | M | 90.4 | Very high | 89.8 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 16% | 0.163 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132 | 176.3 | -174.5 | 64.3 | 62.3 | 0 | 0 | 109.6 | T633 F640 V681 I695 | T633-M674 HydrophobicContact CG2-CE 3.58Å; T633-M674 HydrophobicContact CG2-SD 4.42Å; F640-M674 HydrophobicContact CD2-CE 3.51Å; F640-M674 HydrophobicContact CE2-CE 3.55Å; M674-V681 HydrophobicContact CE-CG2 3.55Å; M674-V681 HydrophobicContact SD-CG2 3.94Å; M674-I695 HydrophobicContact CE-CD1 3.89Å; M674-I695 HydrophobicContact SD-CD1 3.82Å |
| 675 | L | 86.6 | Confident | 90.3 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | trans | -72.5 | 157.1 | 171.4 | -68.2 | -167.8 | 0 | 0 | 0 | 111.8 | L673 D677 G678 T680 L682 W716 | L673-L675 HydrophobicContact CD1-CD2 3.99Å; L675-D677 WeakPolarHBondContact CB-OD1 3.34Å; L675-D677 PolarHBondContact O-N 2.91Å; L675-D677 VanDerWaalsContact O-N 3.08Å; L675-G678 PolarHBondContact O-N 3.37Å; L675-T680 HydrophobicContact CD1-CG2 4.12Å; L675-T680 PolarHBondContact N-O 3.02Å; L675-L682 HydrophobicContact CD1-CD1 3.78Å; L675-L682 HydrophobicContact CD2-CD1 3.44Å; L675-L682 VanDerWaalsContact CD2-CD1 3.44Å; L675-L682 HydrophobicContact CD2-CD2 4.37Å; L675-L682 HydrophobicContact CG-CD1 3.37Å; L675-W716 HydrophobicContact CD2-CD2 3.39Å; L675-W716 HydrophobicContact CD2-CE3 3.6Å; L675-W716 HydrophobicContact CD2-CG 3.83Å; L675-W716 HydrophobicContact CD2-CH2 4.07Å; L675-W716 HydrophobicContact CD2-CZ2 3.9Å; L675-W716 HydrophobicContact CD2-CZ3 3.94Å | ||
| 676 | A | 76.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R634 G678 | R634-A676 PolarHBondContact NH1-O 2.88Å; R634-A676 PolarHBondContact NH2-O 2.9Å; A676-G678 PolarHBondContact O-N 3Å |
| 677 | D | 76.7 | Confident | 90.9 | Very high | 78 Ų | 78 | 31 Ų | 31 | 42% | 0.417 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.4 | 176.6 | 72.9 | 1.4 | 0 | 0 | 0 | 113.9 | L675 K679 T680 | L675-D677 WeakPolarHBondContact CB-OD1 3.34Å; L675-D677 PolarHBondContact O-N 2.91Å; L675-D677 VanDerWaalsContact O-N 3.08Å; D677-K679 WeakPolarHBondContact O-CG 3.43Å; D677-K679 PolarHBondContact O-N 2.94Å; D677-K679 VanDerWaalsContact O-N 3.11Å; D677-K679 PolarHBondContact OD1-N 3.39Å; D677-T680 PolarHBondContact OD1-N 3.03Å; D677-T680 PolarHBondContact OD2-OG1 3.4Å |
| 678 | G | 80 | Confident | 90.9 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 62 | 10.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L675 A676 | L675-G678 PolarHBondContact O-N 3.37Å; A676-G678 PolarHBondContact O-N 3Å |
| 679 | K | 84.4 | Confident | 91 | Very high | 127 Ų | 127 | 29.1 Ų | 29.1 | 55% | 0.552 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -114.1 | -17.5 | -173.9 | -69.3 | 170 | -173.1 | 175.1 | 0 | 112.2 | D677 I695 P696 | D677-K679 WeakPolarHBondContact O-CG 3.43Å; D677-K679 PolarHBondContact O-N 2.94Å; D677-K679 VanDerWaalsContact O-N 3.11Å; D677-K679 PolarHBondContact OD1-N 3.39Å; K679-I695 WeakPolarHBondContact O-CB 3.42Å; K679-I695 WeakPolarHBondContact O-CG1 3.47Å; K679-I695 PolarHBondContact O-N 2.8Å; K679-P696 HydrophobicContact CB-CG 4.17Å; K679-P696 HydrophobicContact CG-CG 4.11Å; K679-P696 VanDerWaalsContact O-CD 3.29Å; K679-P696 WeakPolarHBondContact O-CD 3.49Å |
| 680 | T | 89.5 | Confident | 90.9 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.4 | -174.6 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | L675 D677 L682 F692 Y693 | L675-T680 HydrophobicContact CD1-CG2 4.12Å; L675-T680 PolarHBondContact N-O 3.02Å; D677-T680 PolarHBondContact OD1-N 3.03Å; D677-T680 PolarHBondContact OD2-OG1 3.4Å; T680-L682 HydrophobicContact CG2-CD1 4.32Å; T680-F692 HydrophobicContact CG2-CB 4.27Å; T680-F692 HydrophobicContact CG2-CD1 4.29Å; T680-Y693 CarbonylContact C-O 3.54Å; T680-Y693 WeakPolarHBondContact CA-O 3.3Å |
| 681 | V | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.6 | 173 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | F640 L648 C672 L673 M674 Y693 I695 | F640-V681 HydrophobicContact CB-CG1 4.39Å; F640-V681 HydrophobicContact CD1-CG2 3.9Å; F640-V681 HydrophobicContact CD2-CG2 3.88Å; F640-V681 HydrophobicContact CE1-CG2 3.92Å; F640-V681 HydrophobicContact CE2-CG2 3.92Å; F640-V681 HydrophobicContact CG-CG1 4.41Å; F640-V681 HydrophobicContact CG-CG2 3.86Å; F640-V681 HydrophobicContact CZ-CG2 3.94Å; L648-V681 HydrophobicContact CD1-CG1 4.39Å; L648-V681 HydrophobicContact CD2-CG1 4.33Å; C672-V681 HydrophobicContact CB-CG1 4.37Å; L673-V681 WeakPolarHBondContact O-CA 2.94Å; M674-V681 HydrophobicContact CE-CG2 3.55Å; M674-V681 HydrophobicContact SD-CG2 3.94Å; V681-Y693 PolarHBondContact N-O 3.28Å; V681-Y693 PolarHBondContact O-N 2.81Å; V681-I695 HydrophobicContact CG2-CD1 3.8Å; V681-I695 HydrophobicContact CG2-CG1 3.92Å |
| 682 | L | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143.4 | 172.3 | -80.6 | 68.1 | 0 | 0 | 0 | 109.5 | C672 L673 L675 T680 V690 Y691 F692 M714 W716 L721 | C672-L682 WeakPolarHBondContact CA-O 3.38Å; C672-L682 VanDerWaalsContact CB-O 3.29Å; C672-L682 WeakPolarHBondContact CB-O 3.36Å; L673-L682 HydrophobicContact CD1-CB 4.07Å; L673-L682 HydrophobicContact CD1-CD1 4.26Å; L673-L682 HydrophobicContact CD1-CD2 4.26Å; L673-L682 HydrophobicContact CD1-CG 4.44Å; L673-L682 HydrophobicContact CG-CB 4.11Å; L673-L682 PolarHBondContact N-O 2.84Å; L673-L682 VanDerWaalsContact N-O 3.13Å; L673-L682 PolarHBondContact O-N 3.44Å; L675-L682 HydrophobicContact CD1-CD1 3.78Å; L675-L682 HydrophobicContact CD2-CD1 3.44Å; L675-L682 VanDerWaalsContact CD2-CD1 3.44Å; L675-L682 HydrophobicContact CD2-CD2 4.37Å; L675-L682 HydrophobicContact CG-CD1 3.37Å; T680-L682 HydrophobicContact CG2-CD1 4.32Å; L682-V690 HydrophobicContact CB-CG1 4.48Å; L682-V690 HydrophobicContact CD2-CG1 4.3Å; L682-V690 HydrophobicContact CG-CG1 4.46Å; L682-Y691 CarbonylContact C-O 3.41Å; L682-Y691 WeakPolarHBondContact CA-O 3.1Å; L682-F692 HydrophobicContact CD1-CD1 3.72Å; L682-F692 HydrophobicContact CD1-CE1 3.79Å; L682-F692 HydrophobicContact CD2-CD1 4.29Å; L682-F692 HydrophobicContact CD2-CE1 3.6Å; L682-F692 HydrophobicContact CD2-CZ 3.97Å; L682-F692 HydrophobicContact CG-CD1 3.75Å; L682-F692 HydrophobicContact CG-CE1 3.59Å; L682-F692 HydrophobicContact CG-CG 4.48Å; L682-F692 HydrophobicContact CG-CZ 4.2Å; L682-M714 HydrophobicContact CB-CE 4.46Å; L682-M714 HydrophobicContact CB-SD 3.68Å; L682-M714 HydrophobicContact CD2-SD 4.47Å; L682-W716 HydrophobicContact CD2-CE3 4.22Å; L682-W716 HydrophobicContact CD2-CZ3 4.42Å; L682-L721 HydrophobicContact CD2-CD1 3.68Å; L682-L721 HydrophobicContact CD2-CD2 4.01Å; L682-L721 HydrophobicContact CD2-CG 4.43Å |
| 683 | C | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 125.5 | 177 | -59.8 | 0 | 0 | 0 | 0 | 110 | T642 F664 S671 V690 Y691 M714 | T642-C683 HydrophobicContact CG2-CB 4.32Å; F664-C683 HydrophobicContact CE2-CB 4.18Å; S671-C683 WeakPolarHBondContact O-CA 3.33Å; C683-V690 CarbonylContact O-C 3.5Å; C683-V690 WeakPolarHBondContact O-CA 3.4Å; C683-Y691 PolarHBondContact N-O 2.93Å; C683-Y691 PolarHBondContact O-N 2.79Å; C683-M714 VanDerWaalsContact C-CE 3.47Å |
| 684 | S | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 154.8 | 170.6 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | L669 S670 S671 V711 M714 | L669-S684 CarbonylContact C-O 3.55Å; L669-S684 VanDerWaalsContact CA-O 3.29Å; L669-S684 WeakPolarHBondContact CA-O 3.44Å; S670-S684 PolarHBondContact N-O 3.41Å; S671-S684 PolarHBondContact N-OG 2.94Å; S671-S684 PolarHBondContact O-N 3.07Å; S671-S684 PolarHBondContact O-OG 3.26Å; S684-V711 VanDerWaalsContact CB-CG1 3.49Å; S684-M714 VanDerWaalsContact CA-CE 3.44Å |
| 685 | S | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153 | -174.3 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | S665 A668 D687 N688 N689 V711 | S665-S685 PolarHBondContact OG-OG 2.81Å; A668-S685 WeakPolarHBondContact O-CA 3.33Å; S685-D687 WeakPolarHBondContact CB-OD1 3.26Å; S685-D687 PolarHBondContact O-N 2.9Å; S685-D687 PolarHBondContact OG-N 3Å; S685-D687 PolarHBondContact OG-OD1 2.86Å; S685-N688 PolarHBondContact O-N 3.22Å; S685-N689 PolarHBondContact N-O 3.33Å; S685-N689 VanDerWaalsContact N-O 3.11Å; S685-V711 PolarHBondContact O-N 2.9Å |
| 686 | W | 95.5 | Very high | 90 | Very high | 93 Ų | 93 | 29.7 Ų | 29.7 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 1.4 | 176 | -62.9 | -6.3 | 0 | 0 | 0 | 113.7 | M667 A668 S670 A710 W726 | M667-W686 HydrophobicContact CB-CB 4.26Å; A668-W686 HydrophobicContact CB-CD2 3.67Å; A668-W686 HydrophobicContact CB-CE3 3.58Å; A668-W686 HydrophobicContact CB-CG 4.24Å; A668-W686 HydrophobicContact CB-CH2 4.14Å; A668-W686 HydrophobicContact CB-CZ2 4.23Å; A668-W686 HydrophobicContact CB-CZ3 3.82Å; A668-W686 PolarHBondContact O-N 3.4Å; S670-W686 PolarHBondContact OG-NE1 2.88Å; S670-W686 VanDerWaalsContact OG-NE1 3.17Å; W686-A710 HydrophobicContact CB-CB 3.88Å; W686-A710 HydrophobicContact CG-CB 3.96Å; W686-W726 HydrophobicContact CZ2-CH2 4.38Å |
| 687 | D | 93.5 | Very high | 90.1 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 20.7 | 169.9 | 70.8 | -10.5 | 0 | 0 | 0 | 113 | S665 M667 S685 N689 Y691 | S665-D687 WeakPolarHBondContact CB-OD2 3.38Å; S665-D687 PolarHBondContact OG-OD2 3.08Å; M667-D687 HydrophobicContact CB-CB 4.03Å; M667-D687 HydrophobicContact CG-CB 3.99Å; S685-D687 WeakPolarHBondContact CB-OD1 3.26Å; S685-D687 PolarHBondContact O-N 2.9Å; S685-D687 PolarHBondContact OG-N 3Å; S685-D687 PolarHBondContact OG-OD1 2.86Å; D687-N689 PolarHBondContact O-N 3.26Å; D687-N689 PolarHBondContact O-ND2 2.93Å; D687-N689 WeakPolarHBondContact OD1-CB 3.44Å; D687-N689 PolarHBondContact OD1-N 3.03Å; D687-Y691 PolarHBondContact OD2-OH 3.06Å |
| 688 | N | 94.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 72.5 | 3.7 | 176.6 | -45.7 | -1.9 | 0 | 0 | 0 | 115.3 | S685 G706 H707 D708 D709 A710 | S685-N688 PolarHBondContact O-N 3.22Å; N688-G706 PolarHBondContact O-N 2.64Å; N688-H707 VanDerWaalsContact CB-O 3.29Å; N688-H707 WeakPolarHBondContact CB-O 3.48Å; N688-H707 PolarHBondContact O-N 3.19Å; N688-D708 PolarHBondContact ND2-O 3.26Å; N688-D709 WeakPolarHBondContact OD1-CA 3.47Å; N688-D709 PolarHBondContact OD1-O 2.97Å; N688-A710 PolarHBondContact OD1-N 2.7Å |
| 689 | N | 94.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 16% | 0.16 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 154.2 | -175.7 | -64.4 | -63.9 | 0 | 0 | 0 | 113.5 | S685 D687 Y691 T703 L704 M705 | S685-N689 PolarHBondContact N-O 3.33Å; S685-N689 VanDerWaalsContact N-O 3.11Å; D687-N689 PolarHBondContact O-N 3.26Å; D687-N689 PolarHBondContact O-ND2 2.93Å; D687-N689 WeakPolarHBondContact OD1-CB 3.44Å; D687-N689 PolarHBondContact OD1-N 3.03Å; N689-Y691 HydrophobicContact CB-CE1 4.27Å; N689-Y691 HydrophobicContact CB-CE2 3.98Å; N689-T703 HydrophobicContact CB-CG2 3.96Å; N689-L704 CarbonylContact C-O 3.53Å; N689-L704 WeakPolarHBondContact CA-O 3.28Å; N689-M705 VanDerWaalsContact OD1-CA 3.26Å; N689-M705 WeakPolarHBondContact OD1-CA 3.39Å |
| 690 | V | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | 163.4 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | L682 C683 F692 L704 V711 M714 L721 T723 | L682-V690 HydrophobicContact CB-CG1 4.48Å; L682-V690 HydrophobicContact CD2-CG1 4.3Å; L682-V690 HydrophobicContact CG-CG1 4.46Å; C683-V690 CarbonylContact O-C 3.5Å; C683-V690 WeakPolarHBondContact O-CA 3.4Å; V690-F692 HydrophobicContact CG1-CE2 4.16Å; V690-F692 HydrophobicContact CG1-CZ 4.39Å; V690-L704 HydrophobicContact CB-CB 4.31Å; V690-L704 PolarHBondContact N-O 3.28Å; V690-L704 PolarHBondContact O-N 3.23Å; V690-V711 HydrophobicContact CG2-CG1 4.24Å; V690-M714 HydrophobicContact CB-CE 4.41Å; V690-M714 HydrophobicContact CG1-CE 3.74Å; V690-M714 HydrophobicContact CG2-CE 3.91Å; V690-L721 HydrophobicContact CG1-CD2 4.28Å; V690-T723 HydrophobicContact CG2-CG2 3.88Å |
| 691 | Y | 94.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.8 | -177.6 | -66 | -68.4 | 0 | 0 | 0 | 111.5 | F664 L682 C683 D687 N689 T703 | F664-Y691 HydrophobicContact CB-CD1 3.83Å; F664-Y691 HydrophobicContact CB-CD2 3.46Å; F664-Y691 VanDerWaalsContact CB-CD2 3.46Å; F664-Y691 HydrophobicContact CB-CE1 3.87Å; F664-Y691 HydrophobicContact CB-CE2 3.51Å; F664-Y691 HydrophobicContact CB-CG 3.61Å; F664-Y691 HydrophobicContact CD1-CD1 4.18Å; F664-Y691 HydrophobicContact CD1-CG 4.01Å; F664-Y691 HydrophobicContact CD2-CD2 4.05Å; F664-Y691 HydrophobicContact CD2-CG 4.12Å; F664-Y691 HydrophobicContact CG-CD1 4.11Å; F664-Y691 AromaticContact CG-CD2 3.81Å; F664-Y691 HydrophobicContact CG-CD2 3.81Å; F664-Y691 HydrophobicContact CG-CE2 4.37Å; F664-Y691 AromaticContact CG-CG 3.65Å; F664-Y691 HydrophobicContact CG-CG 3.65Å; L682-Y691 CarbonylContact C-O 3.41Å; L682-Y691 WeakPolarHBondContact CA-O 3.1Å; C683-Y691 PolarHBondContact N-O 2.93Å; C683-Y691 PolarHBondContact O-N 2.79Å; D687-Y691 PolarHBondContact OD2-OH 3.06Å; N689-Y691 HydrophobicContact CB-CE1 4.27Å; N689-Y691 HydrophobicContact CB-CE2 3.98Å; Y691-T703 HydrophobicContact CD1-CG2 3.79Å; Y691-T703 HydrophobicContact CE1-CG2 3.51Å |
| 692 | F | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.8 | 174.4 | -64.4 | -100.2 | 0 | 0 | 0 | 108.9 | T680 L682 V690 R700 Q701 D702 L704 L721 F748 | T680-F692 HydrophobicContact CG2-CB 4.27Å; T680-F692 HydrophobicContact CG2-CD1 4.29Å; L682-F692 HydrophobicContact CD1-CD1 3.72Å; L682-F692 HydrophobicContact CD1-CE1 3.79Å; L682-F692 HydrophobicContact CD2-CD1 4.29Å; L682-F692 HydrophobicContact CD2-CE1 3.6Å; L682-F692 HydrophobicContact CD2-CZ 3.97Å; L682-F692 HydrophobicContact CG-CD1 3.75Å; L682-F692 HydrophobicContact CG-CE1 3.59Å; L682-F692 HydrophobicContact CG-CG 4.48Å; L682-F692 HydrophobicContact CG-CZ 4.2Å; V690-F692 HydrophobicContact CG1-CE2 4.16Å; V690-F692 HydrophobicContact CG1-CZ 4.39Å; F692-R700 CarbonylContact O-C 3.56Å; F692-R700 WeakPolarHBondContact O-CA 3.21Å; F692-Q701 HydrophobicContact CB-CB 4.35Å; F692-Q701 PolarHBondContact O-N 3.06Å; F692-D702 HydrophobicContact CB-CB 4.15Å; F692-D702 HydrophobicContact CD2-CB 3.99Å; F692-D702 HydrophobicContact CG-CB 4.24Å; F692-D702 PolarHBondContact N-O 2.86Å; F692-L704 HydrophobicContact CE2-CB 3.91Å; F692-L721 HydrophobicContact CZ-CD2 4.38Å; F692-F748 HydrophobicContact CD1-CZ 4.3Å; F692-F748 HydrophobicContact CE1-CE1 4.1Å; F692-F748 AromaticContact CE1-CE2 3.9Å; F692-F748 HydrophobicContact CE1-CE2 3.9Å; F692-F748 AromaticContact CE1-CZ 3.31Å; F692-F748 HydrophobicContact CE1-CZ 3.31Å; F692-F748 AromaticContact CE2-CE2 3.8Å; F692-F748 HydrophobicContact CE2-CE2 3.8Å; F692-F748 AromaticContact CE2-CZ 3.99Å; F692-F748 HydrophobicContact CE2-CZ 3.99Å; F692-F748 HydrophobicContact CZ-CD2 4.3Å; F692-F748 AromaticContact CZ-CE1 3.78Å; F692-F748 HydrophobicContact CZ-CE1 3.78Å; F692-F748 AromaticContact CZ-CE2 3.42Å; F692-F748 HydrophobicContact CZ-CE2 3.42Å; F692-F748 VanDerWaalsContact CZ-CE2 3.42Å; F692-F748 AromaticContact CZ-CZ 3.12Å; F692-F748 HydrophobicContact CZ-CZ 3.12Å |
| 693 | Y | 90.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.7 | -179.4 | -178.4 | -107.5 | 0 | 0 | 0 | 111 | F640 L648 V662 F664 T680 V681 G698 | F640-Y693 HydrophobicContact CE1-CD1 4.43Å; F640-Y693 HydrophobicContact CE1-CE1 4.25Å; L648-Y693 HydrophobicContact CD2-CD1 3.77Å; L648-Y693 HydrophobicContact CD2-CE1 4.41Å; L648-Y693 HydrophobicContact CD2-CG 3.88Å; V662-Y693 HydrophobicContact CB-CE2 4.27Å; V662-Y693 HydrophobicContact CG1-CE2 4.38Å; V662-Y693 HydrophobicContact CG2-CD2 4.39Å; V662-Y693 HydrophobicContact CG2-CE2 3.57Å; F664-Y693 HydrophobicContact CE1-CD2 4.08Å; F664-Y693 AromaticContact CZ-CD2 3.96Å; F664-Y693 HydrophobicContact CZ-CD2 3.96Å; F664-Y693 HydrophobicContact CZ-CG 4.14Å; T680-Y693 CarbonylContact C-O 3.54Å; T680-Y693 WeakPolarHBondContact CA-O 3.3Å; V681-Y693 PolarHBondContact N-O 3.28Å; V681-Y693 PolarHBondContact O-N 2.81Å; Y693-G698 WeakPolarHBondContact CE2-O 3.5Å; Y693-G698 VanDerWaalsContact OH-CA 3.26Å; Y693-G698 WeakPolarHBondContact OH-CA 3.35Å; Y693-G698 PolarHBondContact OH-O 3.04Å |
| 694 | S | 87.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.9 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | Y697 G698 R699 | S694-Y697 VanDerWaalsContact OG-CD2 3.24Å; S694-Y697 WeakPolarHBondContact OG-CD2 3.47Å; S694-G698 WeakPolarHBondContact O-CA 3.35Å; S694-G698 PolarHBondContact O-N 2.68Å; S694-R699 PolarHBondContact N-O 3.45Å; S694-R699 PolarHBondContact O-N 3.36Å |
| 695 | I | 86.8 | Confident | 89.5 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -47.6 | 179.6 | -53.3 | 170.3 | 0 | 0 | 0 | 111.2 | T633 F640 M650 R660 M674 K679 V681 Y697 G698 | T633-I695 HydrophobicContact CG2-CD1 4.45Å; F640-I695 HydrophobicContact CE1-CG1 4.29Å; F640-I695 HydrophobicContact CE2-CD1 3.75Å; F640-I695 HydrophobicContact CE2-CG1 4.3Å; F640-I695 HydrophobicContact CZ-CD1 3.6Å; F640-I695 HydrophobicContact CZ-CG1 3.63Å; F640-I695 HydrophobicContact CZ-CG2 4.15Å; M650-I695 HydrophobicContact SD-CG2 4.39Å; R660-I695 PolarHBondContact NH1-O 3.08Å; M674-I695 HydrophobicContact CE-CD1 3.89Å; M674-I695 HydrophobicContact SD-CD1 3.82Å; K679-I695 WeakPolarHBondContact O-CB 3.42Å; K679-I695 WeakPolarHBondContact O-CG1 3.47Å; K679-I695 PolarHBondContact O-N 2.8Å; V681-I695 HydrophobicContact CG2-CD1 3.8Å; V681-I695 HydrophobicContact CG2-CG1 3.92Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 2.9Å; I695-G698 PolarHBondContact O-N 3.3Å |
| 696 | P | 83.6 | Confident | 88.9 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -41.4 | 180 | -24.8 | 35 | 0 | 0 | 0 | 113.1 | K679 | K679-P696 HydrophobicContact CB-CG 4.17Å; K679-P696 HydrophobicContact CG-CG 4.11Å; K679-P696 VanDerWaalsContact O-CD 3.29Å; K679-P696 WeakPolarHBondContact O-CD 3.49Å |
| 697 | Y | 78.9 | Confident | 88.9 | Confident | 171 Ų | 171 | 49.5 Ų | 49.5 | 67% | 0.671 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.6 | -176.7 | -57.6 | -64.3 | 0 | 0 | 0 | 113.8 | S694 I695 R699 | S694-Y697 VanDerWaalsContact OG-CD2 3.24Å; S694-Y697 WeakPolarHBondContact OG-CD2 3.47Å; I695-Y697 VanDerWaalsContact C-N 3.34Å; I695-Y697 PolarHBondContact O-N 2.9Å; Y697-R699 PolarHBondContact O-N 2.86Å |
| 698 | G | 81.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 24.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y693 S694 I695 | Y693-G698 WeakPolarHBondContact CE2-O 3.5Å; Y693-G698 VanDerWaalsContact OH-CA 3.26Å; Y693-G698 WeakPolarHBondContact OH-CA 3.35Å; Y693-G698 PolarHBondContact OH-O 3.04Å; S694-G698 WeakPolarHBondContact O-CA 3.35Å; S694-G698 PolarHBondContact O-N 2.68Å; I695-G698 PolarHBondContact O-N 3.3Å |
| 699 | R | 83.4 | Confident | 88.9 | Confident | 165 Ų | 165 | 55 Ų | 55 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160.3 | -173.6 | 69 | -178.3 | -178.1 | -179.4 | 0.2 | 112.3 | S694 Y697 Q701 | S694-R699 PolarHBondContact N-O 3.45Å; S694-R699 PolarHBondContact O-N 3.36Å; Y697-R699 PolarHBondContact O-N 2.86Å; R699-Q701 PolarHBondContact O-N 2.99Å |
| 700 | R | 86 | Confident | 88.9 | Confident | 135 Ų | 135 | 53.6 Ų | 53.6 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 122.4 | 168.2 | -173.2 | -179.7 | 72.4 | 178.3 | 1.7 | 109.7 | F664 F692 T703 | F664-R700 HydrophobicContact CD1-CB 4.29Å; F664-R700 HydrophobicContact CD1-CG 4.27Å; F664-R700 HydrophobicContact CE1-CB 4.15Å; F664-R700 HydrophobicContact CE1-CG 4.37Å; F692-R700 CarbonylContact O-C 3.56Å; F692-R700 WeakPolarHBondContact O-CA 3.21Å; R700-T703 WeakPolarHBondContact CD-OG1 3.45Å |
| 701 | Q | 85.8 | Confident | 89 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -48.4 | 178.4 | 178.9 | 170.9 | -12.2 | 0 | 0 | 111.2 | F692 R699 | F692-Q701 HydrophobicContact CB-CB 4.35Å; F692-Q701 PolarHBondContact O-N 3.06Å; R699-Q701 PolarHBondContact O-N 2.99Å |
| 702 | D | 85.3 | Confident | 89 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 170.1 | -178.6 | -138.5 | -23.7 | 0 | 0 | 0 | 112.3 | F692 N746 | F692-D702 HydrophobicContact CB-CB 4.15Å; F692-D702 HydrophobicContact CD2-CB 3.99Å; F692-D702 HydrophobicContact CG-CB 4.24Å; F692-D702 PolarHBondContact N-O 2.86Å; D702-N746 PolarHBondContact OD2-N 3.13Å |
| 703 | T | 90.8 | Very high | 89.2 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.3 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | N689 Y691 R700 | N689-T703 HydrophobicContact CB-CG2 3.96Å; Y691-T703 HydrophobicContact CD1-CG2 3.79Å; Y691-T703 HydrophobicContact CE1-CG2 3.51Å; R700-T703 WeakPolarHBondContact CD-OG1 3.45Å |
| 704 | L | 91.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.6 | 174.7 | 174.9 | 64.7 | 0 | 0 | 0 | 108.2 | N689 V690 F692 G706 L721 W733 F748 | N689-L704 CarbonylContact C-O 3.53Å; N689-L704 WeakPolarHBondContact CA-O 3.28Å; V690-L704 HydrophobicContact CB-CB 4.31Å; V690-L704 PolarHBondContact N-O 3.28Å; V690-L704 PolarHBondContact O-N 3.23Å; F692-L704 HydrophobicContact CE2-CB 3.91Å; L704-G706 PolarHBondContact O-N 3.09Å; L704-L721 HydrophobicContact CD2-CD2 3.91Å; L704-W733 HydrophobicContact CD1-CD2 4.47Å; L704-W733 HydrophobicContact CD1-CE3 4.08Å; L704-W733 HydrophobicContact CD1-CH2 4.43Å; L704-W733 HydrophobicContact CD1-CZ3 4.04Å; L704-W733 HydrophobicContact CD2-CD2 3.91Å; L704-W733 HydrophobicContact CD2-CE3 4.33Å; L704-W733 HydrophobicContact CD2-CG 4.03Å; L704-F748 HydrophobicContact CD1-CB 3.93Å; L704-F748 HydrophobicContact CD1-CG 4.41Å; L704-F748 HydrophobicContact CD2-CB 4.35Å; L704-F748 HydrophobicContact CD2-CD1 4.5Å; L704-F748 HydrophobicContact CD2-CG 4.24Å |
| 705 | M | 90.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 56.7 Ų | 56.7 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 99.3 | 166.3 | -179.5 | -178.7 | 143.1 | 0 | 0 | 107.1 | N689 | N689-M705 VanDerWaalsContact OD1-CA 3.26Å; N689-M705 WeakPolarHBondContact OD1-CA 3.39Å |
| 706 | G | 82.9 | Confident | 90 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | trans | -85.4 | -40.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N688 L704 K731 W733 | N688-G706 PolarHBondContact O-N 2.64Å; L704-G706 PolarHBondContact O-N 3.09Å; G706-K731 WeakPolarHBondContact O-CD 3.49Å; G706-K731 PolarHBondContact O-NZ 2.92Å; G706-W733 VanDerWaalsContact O-CZ2 3.28Å; G706-W733 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 707 | H | 95.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -139.4 | 173.4 | -161.5 | -78 | -82.3 | 0 | 0 | 0 | 112.5 | N688 D709 V711 T723 S725 D727 T729 | N688-H707 VanDerWaalsContact CB-O 3.29Å; N688-H707 WeakPolarHBondContact CB-O 3.48Å; N688-H707 PolarHBondContact O-N 3.19Å; H707-D709 WeakPolarHBondContact CB-O 3.22Å; H707-V711 HydrophobicContact CB-CG2 4.07Å; H707-T723 PolarHBondContact CD2-OG1 3.19Å; H707-T723 WeakPolarHBondContact NE2-CB 3.07Å; H707-T723 PolarHBondContact NE2-O 3.05Å; H707-T723 VanDerWaalsContact NE2-O 3.09Å; H707-T723 PolarHBondContact NE2-OG1 2.91Å; H707-S725 WeakPolarHBondContact CB-OG 3.42Å; H707-S725 VanDerWaalsContact CE1-CB 3.47Å; H707-S725 WeakPolarHBondContact CE1-CB 3.35Å; H707-S725 WeakPolarHBondContact ND1-CB 3.09Å; H707-D727 WeakPolarHBondContact CB-OD2 3.38Å; H707-D727 IonicContact CG-OD2 3.83Å; H707-D727 IonicContact ND1-OD1 3.6Å; H707-D727 PolarHBondContact ND1-OD1 2.6Å; H707-D727 IonicContact ND1-OD2 3.87Å; H707-D727 PolarHBondContact ND1-OD2 3.19Å; H707-T729 PolarHBondContact CE1-OG1 3.29Å; H707-T729 VanDerWaalsContact CE1-OG1 3.24Å; H707-T729 PolarHBondContact ND1-OG1 3.37Å | ||
| 708 | D | 92.8 | Very high | 90.7 | Very high | 121 Ų | 121 | 55.1 Ų | 55.1 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -100.2 | -8.2 | 176.9 | -67.4 | -50.1 | 0 | 0 | 0 | 112.6 | N688 D727 | N688-D708 PolarHBondContact ND2-O 3.26Å; D708-D727 PolarHBondContact N-OD2 3.01Å; D708-D727 VanDerWaalsContact N-OD2 3.12Å |
| 709 | D | 95.7 | Very high | 91 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -135.9 | -176.4 | 171.5 | -158.7 | -6.1 | 0 | 0 | 0 | 110 | N688 H707 V711 S725 W726 D727 | N688-D709 WeakPolarHBondContact OD1-CA 3.47Å; N688-D709 PolarHBondContact OD1-O 2.97Å; H707-D709 WeakPolarHBondContact CB-O 3.22Å; D709-V711 PolarHBondContact O-N 3.34Å; D709-S725 PolarHBondContact O-OG 2.87Å; D709-W726 HydrophobicContact CB-CB 4.36Å; D709-D727 HydrophobicContact CB-CB 3.93Å |
| 710 | A | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | trans | -55.2 | 125.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W686 N688 S712 S725 W726 | W686-A710 HydrophobicContact CB-CB 3.88Å; W686-A710 HydrophobicContact CG-CB 3.96Å; N688-A710 PolarHBondContact OD1-N 2.7Å; A710-S712 PolarHBondContact O-N 3.16Å; A710-S725 WeakPolarHBondContact O-CA 3.32Å; A710-S725 PolarHBondContact O-OG 3.39Å; A710-W726 HydrophobicContact CB-CD2 4.09Å; A710-W726 HydrophobicContact CB-CE3 3.67Å; A710-W726 HydrophobicContact CB-CZ3 4.07Å; A710-W726 PolarHBondContact O-N 3.35Å; A710-W726 VanDerWaalsContact O-N 3.09Å | ||
| 711 | V | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.1 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | S670 S684 S685 V690 H707 D709 A724 | S670-V711 WeakPolarHBondContact CB-O 3.43Å; S670-V711 PolarHBondContact OG-O 3.49Å; S684-V711 VanDerWaalsContact CB-CG1 3.49Å; S685-V711 PolarHBondContact O-N 2.9Å; V690-V711 HydrophobicContact CG2-CG1 4.24Å; H707-V711 HydrophobicContact CB-CG2 4.07Å; D709-V711 PolarHBondContact O-N 3.34Å; V711-A724 CarbonylContact C-O 3.57Å; V711-A724 WeakPolarHBondContact CA-O 3.09Å; V711-A724 WeakPolarHBondContact CG1-O 2.99Å |
| 712 | S | 95.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -48.6 | -171.8 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | S670 A710 A724 V760 N761 | S670-S712 WeakPolarHBondContact CB-O 3.2Å; A710-S712 PolarHBondContact O-N 3.16Å; S712-A724 PolarHBondContact N-O 3.39Å; S712-A724 PolarHBondContact OG-O 2.85Å; S712-V760 WeakPolarHBondContact CB-O 3.49Å; S712-V760 PolarHBondContact OG-O 2.92Å; S712-N761 WeakPolarHBondContact CB-O 3.35Å; S712-N761 PolarHBondContact OG-O 2.98Å; S712-N761 VanDerWaalsContact OG-O 3.06Å |
| 713 | E | 95.5 | Very high | 92.9 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.2 | -176.1 | -170 | 161.5 | -134.3 | 0 | 0 | 110.8 | A724 T762 V763 | E713-A724 PolarHBondContact O-N 2.67Å; E713-T762 WeakPolarHBondContact OE2-CA 3.45Å; E713-T762 WeakPolarHBondContact OE2-CB 3.39Å; E713-T762 PolarHBondContact OE2-OG1 2.88Å; E713-V763 HydrophobicContact CB-CG1 4.23Å; E713-V763 HydrophobicContact CG-CG1 4.21Å; E713-V763 PolarHBondContact OE2-N 2.94Å |
| 714 | M | 95.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 152.1 | 178.5 | 58.7 | 167.4 | 72.1 | 0 | 0 | 111.8 | L673 L682 C683 S684 V690 L721 Y722 | L673-M714 HydrophobicContact CD2-CB 4.22Å; L673-M714 HydrophobicContact CD2-CG 3.67Å; L673-M714 HydrophobicContact CD2-SD 3.68Å; L673-M714 HydrophobicContact CG-CG 4.28Å; L673-M714 HydrophobicContact CG-SD 3.77Å; L682-M714 HydrophobicContact CB-CE 4.46Å; L682-M714 HydrophobicContact CB-SD 3.68Å; L682-M714 HydrophobicContact CD2-SD 4.47Å; C683-M714 VanDerWaalsContact C-CE 3.47Å; S684-M714 VanDerWaalsContact CA-CE 3.44Å; V690-M714 HydrophobicContact CB-CE 4.41Å; V690-M714 HydrophobicContact CG1-CE 3.74Å; V690-M714 HydrophobicContact CG2-CE 3.91Å; M714-L721 HydrophobicContact CB-CD1 4.31Å; M714-Y722 VanDerWaalsContact CA-O 3.24Å; M714-Y722 WeakPolarHBondContact CA-O 3.46Å |
| 715 | C | 94.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.9 | 168.2 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | Y722 L765 | C715-Y722 PolarHBondContact N-O 3.44Å; C715-Y722 PolarHBondContact O-N 3.05Å; C715-L765 HydrophobicContact CB-CD1 4.38Å |
| 716 | W | 91.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.7 | -174.9 | 179.4 | -80.9 | 0 | 0 | 0 | 110.6 | L673 L675 L682 R720 L721 C735 F748 | L673-W716 HydrophobicContact CD1-CB 3.82Å; L673-W716 HydrophobicContact CD2-CB 3.93Å; L675-W716 HydrophobicContact CD2-CD2 3.39Å; L675-W716 HydrophobicContact CD2-CE3 3.6Å; L675-W716 HydrophobicContact CD2-CG 3.83Å; L675-W716 HydrophobicContact CD2-CH2 4.07Å; L675-W716 HydrophobicContact CD2-CZ2 3.9Å; L675-W716 HydrophobicContact CD2-CZ3 3.94Å; L682-W716 HydrophobicContact CD2-CE3 4.22Å; L682-W716 HydrophobicContact CD2-CZ3 4.42Å; W716-R720 WeakPolarHBondContact CA-O 3.34Å; W716-L721 HydrophobicContact CE3-CB 3.7Å; W716-L721 HydrophobicContact CE3-CD1 4.08Å; W716-L721 HydrophobicContact CE3-CG 4.43Å; W716-L721 HydrophobicContact CZ3-CB 3.8Å; W716-C735 HydrophobicContact CH2-CB 3.54Å; W716-C735 HydrophobicContact CZ2-CB 4.31Å; W716-C735 HydrophobicContact CZ3-CB 4.34Å; W716-F748 HydrophobicContact CZ3-CE1 4.3Å |
| 717 | F | 90.8 | Very high | 94.5 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 136 | 173.9 | -172.2 | -90.1 | 0 | 0 | 0 | 110.7 | D719 R720 L765 A768 | F717-D719 PolarHBondContact O-N 2.94Å; F717-R720 PolarHBondContact N-O 3.17Å; F717-R720 WeakPolarHBondContact O-CA 3.47Å; F717-R720 WeakPolarHBondContact O-CB 3.47Å; F717-R720 PolarHBondContact O-N 3.47Å; F717-L765 HydrophobicContact CB-CD1 3.49Å; F717-L765 VanDerWaalsContact CB-CD1 3.49Å; F717-L765 HydrophobicContact CG-CD1 4.42Å; F717-A768 WeakPolarHBondContact CE1-O 3Å; F717-A768 VanDerWaalsContact CZ-C 3.44Å; F717-A768 WeakPolarHBondContact CZ-O 3.5Å |
| 718 | D | 87.1 | Confident | 94.6 | Very high | 122 Ų | 122 | 38.2 Ų | 38.2 | 65% | 0.652 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 57.8 | 175 | -162.9 | 35.2 | 0 | 0 | 0 | 114.9 | R720 | D718-R720 PolarHBondContact O-N 3.33Š|
| 719 | D | 87.8 | Confident | 94.8 | Very high | 68 Ų | 68 | 33 Ų | 33 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 16.8 | -177.5 | -65.7 | -29.4 | 0 | 0 | 0 | 115.5 | F717 Q734 C735 | F717-D719 PolarHBondContact O-N 2.94Å; D719-Q734 PolarHBondContact O-NE2 3.01Å; D719-C735 HydrophobicContact CB-CB 4.48Å; D719-C735 VanDerWaalsContact O-CB 3.25Å; D719-C735 WeakPolarHBondContact O-CB 3.27Å; D719-C735 PolarHBondContact O-N 3.36Å |
| 720 | R | 92.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 27% | 0.268 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.7 | 172.7 | -62.1 | 178.3 | -176.8 | 172 | 6 | 111.2 | W716 F717 D718 Y722 W733 L751 T786 Y789 | W716-R720 WeakPolarHBondContact CA-O 3.34Å; F717-R720 PolarHBondContact N-O 3.17Å; F717-R720 WeakPolarHBondContact O-CA 3.47Å; F717-R720 WeakPolarHBondContact O-CB 3.47Å; F717-R720 PolarHBondContact O-N 3.47Å; D718-R720 PolarHBondContact O-N 3.33Å; R720-Y722 HydrophobicContact CB-CE2 3.83Å; R720-W733 VanDerWaalsContact CA-O 3.31Å; R720-W733 WeakPolarHBondContact CA-O 3.2Å; R720-L751 HydrophobicContact CG-CD1 4.42Å; R720-T786 PolarHBondContact NH1-O 2.84Å; R720-Y789 PolarHBondContact NH1-OH 2.83Å |
| 721 | L | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.8 | 173.1 | 175.5 | 65.1 | 0 | 0 | 0 | 108.9 | L682 V690 F692 L704 M714 W716 T723 V732 W733 | L682-L721 HydrophobicContact CD2-CD1 3.68Å; L682-L721 HydrophobicContact CD2-CD2 4.01Å; L682-L721 HydrophobicContact CD2-CG 4.43Å; V690-L721 HydrophobicContact CG1-CD2 4.28Å; F692-L721 HydrophobicContact CZ-CD2 4.38Å; L704-L721 HydrophobicContact CD2-CD2 3.91Å; M714-L721 HydrophobicContact CB-CD1 4.31Å; W716-L721 HydrophobicContact CE3-CB 3.7Å; W716-L721 HydrophobicContact CE3-CD1 4.08Å; W716-L721 HydrophobicContact CE3-CG 4.43Å; W716-L721 HydrophobicContact CZ3-CB 3.8Å; L721-T723 HydrophobicContact CD1-CG2 4.29Å; L721-T723 HydrophobicContact CD2-CG2 3.95Å; L721-T723 HydrophobicContact CG-CG2 3.86Å; L721-V732 WeakPolarHBondContact O-CA 3.39Å; L721-W733 HydrophobicContact CB-CB 4.24Å; L721-W733 PolarHBondContact N-O 2.85Å; L721-W733 PolarHBondContact O-N 3.19Å |
| 722 | Y | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125 | 173 | -57.9 | -103.7 | 0 | 0 | 0 | 107.7 | M714 C715 R720 K731 V732 L765 L772 T786 | M714-Y722 VanDerWaalsContact CA-O 3.24Å; M714-Y722 WeakPolarHBondContact CA-O 3.46Å; C715-Y722 PolarHBondContact N-O 3.44Å; C715-Y722 PolarHBondContact O-N 3.05Å; R720-Y722 HydrophobicContact CB-CE2 3.83Å; Y722-K731 WeakPolarHBondContact CA-O 3.4Å; Y722-V732 HydrophobicContact CD1-CB 4.34Å; Y722-V732 HydrophobicContact CD1-CG1 4.01Å; Y722-V732 HydrophobicContact CD1-CG2 3.64Å; Y722-V732 HydrophobicContact CE1-CB 4.35Å; Y722-V732 HydrophobicContact CE1-CG1 3.68Å; Y722-V732 HydrophobicContact CE1-CG2 3.75Å; Y722-L765 HydrophobicContact CD2-CD1 3.75Å; Y722-L765 HydrophobicContact CD2-CG 4.49Å; Y722-L765 HydrophobicContact CE1-CD2 4.49Å; Y722-L765 HydrophobicContact CE2-CD1 3.68Å; Y722-L765 HydrophobicContact CE2-CD2 4.22Å; Y722-L765 HydrophobicContact CE2-CG 4.48Å; Y722-L772 HydrophobicContact CD1-CD1 3.82Å; Y722-L772 HydrophobicContact CD1-CD2 3.94Å; Y722-L772 HydrophobicContact CE1-CD1 4.35Å; Y722-L772 HydrophobicContact CE1-CD2 4.41Å; Y722-L772 HydrophobicContact CG-CD1 4.13Å; Y722-T786 HydrophobicContact CE1-CG2 4.3Å |
| 723 | T | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.1 | -179.9 | 53 | 0 | 0 | 0 | 0 | 109.7 | V690 H707 L721 V730 K731 W733 | V690-T723 HydrophobicContact CG2-CG2 3.88Å; H707-T723 PolarHBondContact CD2-OG1 3.19Å; H707-T723 WeakPolarHBondContact NE2-CB 3.07Å; H707-T723 PolarHBondContact NE2-O 3.05Å; H707-T723 VanDerWaalsContact NE2-O 3.09Å; H707-T723 PolarHBondContact NE2-OG1 2.91Å; L721-T723 HydrophobicContact CD1-CG2 4.29Å; L721-T723 HydrophobicContact CD2-CG2 3.95Å; L721-T723 HydrophobicContact CG-CG2 3.86Å; T723-V730 CarbonylContact O-C 3.57Å; T723-V730 VanDerWaalsContact O-CA 3.26Å; T723-V730 WeakPolarHBondContact O-CA 3.36Å; T723-K731 PolarHBondContact N-O 2.85Å; T723-K731 PolarHBondContact O-N 2.8Å; T723-K731 PolarHBondContact OG1-O 3.1Å; T723-W733 PolarHBondContact OG1-NE1 2.92Å |
| 724 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | V711 S712 E713 V730 V760 V763 | V711-A724 CarbonylContact C-O 3.57Å; V711-A724 WeakPolarHBondContact CA-O 3.09Å; V711-A724 WeakPolarHBondContact CG1-O 2.99Å; S712-A724 PolarHBondContact N-O 3.39Å; S712-A724 PolarHBondContact OG-O 2.85Å; E713-A724 PolarHBondContact O-N 2.67Å; A724-V730 HydrophobicContact CB-CG2 4.14Å; A724-V760 HydrophobicContact CB-CB 4.12Å; A724-V760 HydrophobicContact CB-CG1 3.73Å; A724-V763 HydrophobicContact CB-CB 4.01Å; A724-V763 HydrophobicContact CB-CG1 3.88Å |
| 725 | S | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.5 | -174.6 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | H707 D709 A710 D727 S728 T729 V760 | H707-S725 WeakPolarHBondContact CB-OG 3.42Å; H707-S725 VanDerWaalsContact CE1-CB 3.47Å; H707-S725 WeakPolarHBondContact CE1-CB 3.35Å; H707-S725 WeakPolarHBondContact ND1-CB 3.09Å; D709-S725 PolarHBondContact O-OG 2.87Å; A710-S725 WeakPolarHBondContact O-CA 3.32Å; A710-S725 PolarHBondContact O-OG 3.39Å; S725-D727 VanDerWaalsContact CB-OD1 3.22Å; S725-D727 WeakPolarHBondContact CB-OD1 3.37Å; S725-D727 PolarHBondContact O-N 2.83Å; S725-D727 PolarHBondContact OG-N 3.43Å; S725-D727 PolarHBondContact OG-OD1 2.88Å; S725-D727 PolarHBondContact OG-OD2 3.25Å; S725-D727 VanDerWaalsContact OG-OD2 3.11Å; S725-S728 PolarHBondContact O-N 2.9Å; S725-T729 PolarHBondContact N-O 3.01Å; S725-T729 VanDerWaalsContact N-O 3.15Å; S725-V760 CarbonylContact C-O 3.59Å; S725-V760 PolarHBondContact O-N 2.9Å |
| 726 | W | 97.5 | Very high | 92.8 | Very high | 72 Ų | 72 | 33 Ų | 33 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7 | 173.4 | -66.5 | -8.4 | 0 | 0 | 0 | 114.1 | W686 D709 A710 S728 K777 | W686-W726 HydrophobicContact CZ2-CH2 4.38Å; D709-W726 HydrophobicContact CB-CB 4.36Å; A710-W726 HydrophobicContact CB-CD2 4.09Å; A710-W726 HydrophobicContact CB-CE3 3.67Å; A710-W726 HydrophobicContact CB-CZ3 4.07Å; A710-W726 PolarHBondContact O-N 3.35Å; A710-W726 VanDerWaalsContact O-N 3.09Å; W726-S728 PolarHBondContact O-N 3.28Å; W726-S728 VanDerWaalsContact O-N 3.14Å; W726-K777 VanDerWaalsContact CD1-CE 3.43Å |
| 727 | D | 96.2 | Very high | 91.2 | Very high | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 4.9 | 167.7 | 65.1 | 18.4 | 0 | 0 | 0 | 113.7 | H707 D708 D709 S725 T729 | H707-D727 WeakPolarHBondContact CB-OD2 3.38Å; H707-D727 IonicContact CG-OD2 3.83Å; H707-D727 IonicContact ND1-OD1 3.6Å; H707-D727 PolarHBondContact ND1-OD1 2.6Å; H707-D727 IonicContact ND1-OD2 3.87Å; H707-D727 PolarHBondContact ND1-OD2 3.19Å; D708-D727 PolarHBondContact N-OD2 3.01Å; D708-D727 VanDerWaalsContact N-OD2 3.12Å; D709-D727 HydrophobicContact CB-CB 3.93Å; S725-D727 VanDerWaalsContact CB-OD1 3.22Å; S725-D727 WeakPolarHBondContact CB-OD1 3.37Å; S725-D727 PolarHBondContact O-N 2.83Å; S725-D727 PolarHBondContact OG-N 3.43Å; S725-D727 PolarHBondContact OG-OD1 2.88Å; S725-D727 PolarHBondContact OG-OD2 3.25Å; S725-D727 VanDerWaalsContact OG-OD2 3.11Å; D727-T729 VanDerWaalsContact C-N 3.34Å; D727-T729 WeakPolarHBondContact OD1-CB 3.44Å; D727-T729 PolarHBondContact OD1-N 3.31Å; D727-T729 PolarHBondContact OD1-OG1 2.93Å |
| 728 | S | 97.2 | Very high | 88.9 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 72.5 | 23 | 179.8 | -38.4 | 0 | 0 | 0 | 0 | 114 | S725 W726 H756 A758 G759 | S725-S728 PolarHBondContact O-N 2.9Å; W726-S728 PolarHBondContact O-N 3.28Å; W726-S728 VanDerWaalsContact O-N 3.14Å; S728-H756 VanDerWaalsContact CB-O 3.27Å; S728-H756 WeakPolarHBondContact CB-O 3.5Å; S728-H756 WeakPolarHBondContact O-CB 3.35Å; S728-H756 PolarHBondContact O-N 3.41Å; S728-A758 VanDerWaalsContact OG-C 3.26Å; S728-G759 PolarHBondContact OG-N 2.88Å |
| 729 | T | 97.5 | Very high | 86.7 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.5 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | H707 S725 D727 E753 L754 | H707-T729 PolarHBondContact CE1-OG1 3.29Å; H707-T729 VanDerWaalsContact CE1-OG1 3.24Å; H707-T729 PolarHBondContact ND1-OG1 3.37Å; S725-T729 PolarHBondContact N-O 3.01Å; S725-T729 VanDerWaalsContact N-O 3.15Å; D727-T729 VanDerWaalsContact C-N 3.34Å; D727-T729 WeakPolarHBondContact OD1-CB 3.44Å; D727-T729 PolarHBondContact OD1-N 3.31Å; D727-T729 PolarHBondContact OD1-OG1 2.93Å; T729-E753 HydrophobicContact CG2-CG 4.18Å; T729-E753 WeakPolarHBondContact CG2-OE1 3.38Å; T729-L754 WeakPolarHBondContact CA-O 3.43Å |
| 730 | V | 97.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.8 | 157.9 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | T723 A724 L754 V760 V763 L772 | T723-V730 CarbonylContact O-C 3.57Å; T723-V730 VanDerWaalsContact O-CA 3.26Å; T723-V730 WeakPolarHBondContact O-CA 3.36Å; A724-V730 HydrophobicContact CB-CG2 4.14Å; V730-L754 HydrophobicContact CB-CB 4.13Å; V730-L754 HydrophobicContact CB-CD1 4.2Å; V730-L754 HydrophobicContact CB-CG 4.43Å; V730-L754 HydrophobicContact CG1-CD1 4.32Å; V730-L754 PolarHBondContact N-O 3.05Å; V730-L754 PolarHBondContact O-N 2.79Å; V730-V760 HydrophobicContact CG2-CB 4.32Å; V730-V760 HydrophobicContact CG2-CG1 3.88Å; V730-V760 HydrophobicContact CG2-CG2 4.03Å; V730-V763 HydrophobicContact CG1-CG2 4.47Å; V730-L772 HydrophobicContact CG1-CD2 4.14Å |
| 731 | K | 97.4 | Very high | 81.9 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.087 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.5 | 179.2 | -73.1 | 179.3 | -177.3 | -177.5 | 0 | 111.1 | G706 Y722 T723 W733 L750 E753 | G706-K731 WeakPolarHBondContact O-CD 3.49Å; G706-K731 PolarHBondContact O-NZ 2.92Å; Y722-K731 WeakPolarHBondContact CA-O 3.4Å; T723-K731 PolarHBondContact N-O 2.85Å; T723-K731 PolarHBondContact O-N 2.8Å; T723-K731 PolarHBondContact OG1-O 3.1Å; K731-W733 HydrophobicContact CB-CZ2 3.79Å; K731-W733 HydrophobicContact CD-CH2 4.31Å; K731-W733 HydrophobicContact CD-CZ2 3.73Å; K731-W733 HydrophobicContact CG-CZ2 4.37Å; K731-L750 HydrophobicContact CB-CD1 3.7Å; K731-L750 HydrophobicContact CD-CD1 4.08Å; K731-L750 HydrophobicContact CG-CD1 3.9Å; K731-E753 VanDerWaalsContact CE-CD 3.43Å; K731-E753 VanDerWaalsContact CE-OE1 3.29Å; K731-E753 WeakPolarHBondContact CE-OE1 3.31Å; K731-E753 HydrophobicContact CG-CB 4.47Å; K731-E753 HydrophobicContact CG-CG 4.1Å; K731-E753 IonicContact NZ-OE1 3.16Å |
| 732 | V | 96.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122 | 179.6 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | L721 Y722 L751 A752 L754 Y789 | L721-V732 WeakPolarHBondContact O-CA 3.39Å; Y722-V732 HydrophobicContact CD1-CB 4.34Å; Y722-V732 HydrophobicContact CD1-CG1 4.01Å; Y722-V732 HydrophobicContact CD1-CG2 3.64Å; Y722-V732 HydrophobicContact CE1-CB 4.35Å; Y722-V732 HydrophobicContact CE1-CG1 3.68Å; Y722-V732 HydrophobicContact CE1-CG2 3.75Å; V732-L751 HydrophobicContact CB-CB 4.44Å; V732-L751 HydrophobicContact CG1-CB 4.44Å; V732-L751 HydrophobicContact CG1-CD1 4.37Å; V732-L751 PolarHBondContact O-N 3.18Å; V732-A752 HydrophobicContact CB-CB 4.23Å; V732-A752 HydrophobicContact CG2-CB 4.17Å; V732-A752 PolarHBondContact N-O 3.23Å; V732-L754 HydrophobicContact CG2-CD1 4.5Å; V732-Y789 HydrophobicContact CB-CE1 4.21Å; V732-Y789 HydrophobicContact CG1-CE1 3.93Å; V732-Y789 HydrophobicContact CG2-CD1 4.19Å; V732-Y789 HydrophobicContact CG2-CE1 3.91Å |
| 733 | W | 94.1 | Very high | 77.1 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.4 | -176.2 | -47.5 | 85.3 | 0 | 0 | 0 | 110.6 | L704 G706 R720 L721 T723 K731 F748 E749 L750 | L704-W733 HydrophobicContact CD1-CD2 4.47Å; L704-W733 HydrophobicContact CD1-CE3 4.08Å; L704-W733 HydrophobicContact CD1-CH2 4.43Å; L704-W733 HydrophobicContact CD1-CZ3 4.04Å; L704-W733 HydrophobicContact CD2-CD2 3.91Å; L704-W733 HydrophobicContact CD2-CE3 4.33Å; L704-W733 HydrophobicContact CD2-CG 4.03Å; G706-W733 VanDerWaalsContact O-CZ2 3.28Å; G706-W733 WeakPolarHBondContact O-CZ2 3.46Å; R720-W733 VanDerWaalsContact CA-O 3.31Å; R720-W733 WeakPolarHBondContact CA-O 3.2Å; L721-W733 HydrophobicContact CB-CB 4.24Å; L721-W733 PolarHBondContact N-O 2.85Å; L721-W733 PolarHBondContact O-N 3.19Å; T723-W733 PolarHBondContact OG1-NE1 2.92Å; K731-W733 HydrophobicContact CB-CZ2 3.79Å; K731-W733 HydrophobicContact CD-CH2 4.31Å; K731-W733 HydrophobicContact CD-CZ2 3.73Å; K731-W733 HydrophobicContact CG-CZ2 4.37Å; W733-F748 HydrophobicContact CB-CB 4.47Å; W733-F748 HydrophobicContact CB-CD1 4.23Å; W733-F748 HydrophobicContact CE3-CB 4.4Å; W733-E749 CarbonylContact C-O 3.57Å; W733-E749 VanDerWaalsContact CA-O 3.32Å; W733-E749 WeakPolarHBondContact CA-O 3.45Å; W733-L750 HydrophobicContact CD2-CD1 4.14Å; W733-L750 HydrophobicContact CE3-CB 3.99Å; W733-L750 HydrophobicContact CE3-CD1 4.09Å; W733-L750 HydrophobicContact CH2-CB 4.42Å; W733-L750 HydrophobicContact CH2-CD1 3.97Å; W733-L750 HydrophobicContact CZ2-CD1 3.98Å; W733-L750 HydrophobicContact CZ3-CB 3.8Å; W733-L750 HydrophobicContact CZ3-CD1 4.03Å; W733-L750 HydrophobicContact CZ3-CG 4.43Å |
| 734 | Q | 91 | Very high | 74.6 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.8 | 169.6 | -170.8 | 60.2 | 56.4 | 0 | 0 | 110.1 | D719 F748 E749 L751 | D719-Q734 PolarHBondContact O-NE2 3.01Å; Q734-F748 WeakPolarHBondContact O-CA 3.41Å; Q734-E749 PolarHBondContact N-O 2.98Å; Q734-E749 PolarHBondContact O-N 3.41Å; Q734-L751 HydrophobicContact CB-CD1 3.74Å; Q734-L751 HydrophobicContact CB-CD2 3.89Å; Q734-L751 HydrophobicContact CB-CG 3.72Å; Q734-L751 HydrophobicContact CG-CD1 4.49Å |
| 735 | C | 82.3 | Confident | 72.6 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 106.6 | 168.4 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | W716 D719 S737 F748 | W716-C735 HydrophobicContact CH2-CB 3.54Å; W716-C735 HydrophobicContact CZ2-CB 4.31Å; W716-C735 HydrophobicContact CZ3-CB 4.34Å; D719-C735 HydrophobicContact CB-CB 4.48Å; D719-C735 VanDerWaalsContact O-CB 3.25Å; D719-C735 WeakPolarHBondContact O-CB 3.27Å; D719-C735 PolarHBondContact O-N 3.36Å; C735-S737 PolarHBondContact O-N 2.81Å; C735-F748 HydrophobicContact CB-CD1 4.24Å; C735-F748 HydrophobicContact CB-CE1 3.73Å; C735-F748 HydrophobicContact CB-CZ 4.47Å |
| 736 | S | 67.3 | Low | 70.8 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -85.1 | 97.2 | 177.4 | -73.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 737 | S | 58.5 | Low | 69.4 | Low | 88 Ų | 88 | 80 Ų | 80 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | trans | -106.1 | 16.8 | -179.6 | -155.4 | 0 | 0 | 0 | 0 | 114.9 | C735 | C735-S737 PolarHBondContact O-N 2.81Š| ||
| 738 | K | 42.9 | Very low | 68.6 | Low | 189 Ų | 189 | 79.8 Ų | 79.8 | 82% | 0.822 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -102.3 | 112.9 | -176.2 | -70.2 | -177.2 | -179.9 | 172.6 | 0 | 112.3 | ||
| 739 | N | 39.8 | Very low | 68.2 | Low | 159 Ų | 159 | 84.3 Ų | 84.3 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 71 | 52.8 | 160.2 | -65.2 | -16.9 | 0 | 0 | 0 | 119.6 | ||
| 740 | Q | 40.8 | Very low | 67.9 | Low | 144 Ų | 144 | 87.1 Ų | 87.1 | 67% | 0.673 | 46% | 0.457 | S | S | * | . | trans | -126.6 | 135.4 | 161.1 | -73.9 | -87.5 | -39.7 | 0 | 0 | 111.2 | S742 | Q740-S742 PolarHBondContact O-N 2.79Å; Q740-S742 VanDerWaalsContact O-N 3.16Å | ||
| 741 | P | 39.4 | Very low | 67.6 | Low | 108 Ų | 108 | 90.3 Ų | 90.3 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | trans | -68.2 | 112.8 | 179.1 | 25.4 | -30.7 | 0 | 0 | 0 | 111.9 | N743 | P741-N743 VanDerWaalsContact C-N 3.3Å; P741-N743 PolarHBondContact O-N 2.98Å | ||
| 742 | S | 46.1 | Very low | 67.4 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 80% | 0.797 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 38.2 | 9.2 | 146.9 | 77.2 | 0 | 0 | 0 | 0 | 123.3 | Q740 | Q740-S742 PolarHBondContact O-N 2.79Å; Q740-S742 VanDerWaalsContact O-N 3.16Å |
| 743 | N | 43 | Very low | 67.4 | Low | 155 Ų | 155 | 94.4 Ų | 94.4 | 83% | 0.829 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -146 | 13 | 179.7 | -91.8 | -29.1 | 0 | 0 | 0 | 116.5 | P741 | P741-N743 VanDerWaalsContact C-N 3.3Å; P741-N743 PolarHBondContact O-N 2.98Å |
| 744 | K | 46.9 | Very low | 67.5 | Low | 170 Ų | 170 | 93.7 Ų | 93.7 | 74% | 0.739 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -115.1 | 139.2 | 174.2 | -73.3 | -175.3 | 178.1 | 177.5 | 0 | 111.2 | ||
| 745 | K | 54.8 | Low | 67.8 | Low | 167 Ų | 167 | 98.8 Ų | 98.8 | 73% | 0.726 | 52% | 0.518 | S | S | * | . | trans | -50.6 | 150.8 | 179.6 | -71.1 | -178.8 | 173.9 | -173.8 | 0 | 111.7 | T747 | K745-T747 PolarHBondContact O-N 3.33Å; K745-T747 VanDerWaalsContact O-N 3.15Å | ||
| 746 | N | 59.2 | Low | 68.4 | Low | 52 Ų | 52 | 99.3 Ų | 99.3 | 28% | 0.278 | 52% | 0.519 | S | S | . | . | trans | -63.2 | 117.7 | 170.8 | -74 | -6.9 | 0 | 0 | 0 | 107.7 | D702 F748 | D702-N746 PolarHBondContact OD2-N 3.13Å; N746-F748 HydrophobicContact CB-CD2 4.3Å; N746-F748 HydrophobicContact CB-CE2 3.61Å; N746-F748 HydrophobicContact CB-CZ 4.14Å | ||
| 747 | T | 67.9 | Low | 69.6 | Low | 96 Ų | 96 | 102.9 Ų | 102.9 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | trans | -86.1 | 113.8 | 173.9 | 44.6 | 0 | 0 | 0 | 0 | 108.5 | K745 | K745-T747 PolarHBondContact O-N 3.33Å; K745-T747 VanDerWaalsContact O-N 3.15Å | ||
| 748 | F | 80.8 | Confident | 71.4 | Confident | 33 Ų | 33 | 99.6 Ų | 99.6 | 15% | 0.145 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.7 | 170.7 | -69.6 | -84.3 | 0 | 0 | 0 | 108.6 | F692 L704 W716 W733 Q734 C735 N746 | F692-F748 HydrophobicContact CD1-CZ 4.3Å; F692-F748 HydrophobicContact CE1-CE1 4.1Å; F692-F748 AromaticContact CE1-CE2 3.9Å; F692-F748 HydrophobicContact CE1-CE2 3.9Å; F692-F748 AromaticContact CE1-CZ 3.31Å; F692-F748 HydrophobicContact CE1-CZ 3.31Å; F692-F748 AromaticContact CE2-CE2 3.8Å; F692-F748 HydrophobicContact CE2-CE2 3.8Å; F692-F748 AromaticContact CE2-CZ 3.99Å; F692-F748 HydrophobicContact CE2-CZ 3.99Å; F692-F748 HydrophobicContact CZ-CD2 4.3Å; F692-F748 AromaticContact CZ-CE1 3.78Å; F692-F748 HydrophobicContact CZ-CE1 3.78Å; F692-F748 AromaticContact CZ-CE2 3.42Å; F692-F748 HydrophobicContact CZ-CE2 3.42Å; F692-F748 VanDerWaalsContact CZ-CE2 3.42Å; F692-F748 AromaticContact CZ-CZ 3.12Å; F692-F748 HydrophobicContact CZ-CZ 3.12Å; L704-F748 HydrophobicContact CD1-CB 3.93Å; L704-F748 HydrophobicContact CD1-CG 4.41Å; L704-F748 HydrophobicContact CD2-CB 4.35Å; L704-F748 HydrophobicContact CD2-CD1 4.5Å; L704-F748 HydrophobicContact CD2-CG 4.24Å; W716-F748 HydrophobicContact CZ3-CE1 4.3Å; W733-F748 HydrophobicContact CB-CB 4.47Å; W733-F748 HydrophobicContact CB-CD1 4.23Å; W733-F748 HydrophobicContact CE3-CB 4.4Å; Q734-F748 WeakPolarHBondContact O-CA 3.41Å; C735-F748 HydrophobicContact CB-CD1 4.24Å; C735-F748 HydrophobicContact CB-CE1 3.73Å; C735-F748 HydrophobicContact CB-CZ 4.47Å; N746-F748 HydrophobicContact CB-CD2 4.3Å; N746-F748 HydrophobicContact CB-CE2 3.61Å; N746-F748 HydrophobicContact CB-CZ 4.14Å |
| 749 | E | 87.2 | Confident | 74 | Confident | 127 Ų | 127 | 90.9 Ų | 90.9 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.8 | 176.1 | -174.1 | 173.8 | -176.4 | 0 | 0 | 108.9 | W733 Q734 L751 | W733-E749 CarbonylContact C-O 3.57Å; W733-E749 VanDerWaalsContact CA-O 3.32Å; W733-E749 WeakPolarHBondContact CA-O 3.45Å; Q734-E749 PolarHBondContact N-O 2.98Å; Q734-E749 PolarHBondContact O-N 3.41Å; E749-L751 PolarHBondContact O-N 3.42Å |
| 750 | L | 92.1 | Very high | 76.7 | Confident | 70 Ų | 70 | 83.3 Ų | 83.3 | 37% | 0.366 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 113.9 | 174.8 | -177.7 | 66.9 | 0 | 0 | 0 | 108.6 | K731 W733 A752 | K731-L750 HydrophobicContact CB-CD1 3.7Å; K731-L750 HydrophobicContact CD-CD1 4.08Å; K731-L750 HydrophobicContact CG-CD1 3.9Å; W733-L750 HydrophobicContact CD2-CD1 4.14Å; W733-L750 HydrophobicContact CE3-CB 3.99Å; W733-L750 HydrophobicContact CE3-CD1 4.09Å; W733-L750 HydrophobicContact CH2-CB 4.42Å; W733-L750 HydrophobicContact CH2-CD1 3.97Å; W733-L750 HydrophobicContact CZ2-CD1 3.98Å; W733-L750 HydrophobicContact CZ3-CB 3.8Å; W733-L750 HydrophobicContact CZ3-CD1 4.03Å; W733-L750 HydrophobicContact CZ3-CG 4.43Å; L750-A752 WeakPolarHBondContact CD1-O 3.25Å |
| 751 | L | 92.1 | Very high | 79.4 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -41.9 | 178.7 | -70.1 | -177.5 | 0 | 0 | 0 | 112.5 | R720 V732 Q734 E749 Y789 | R720-L751 HydrophobicContact CG-CD1 4.42Å; V732-L751 HydrophobicContact CB-CB 4.44Å; V732-L751 HydrophobicContact CG1-CB 4.44Å; V732-L751 HydrophobicContact CG1-CD1 4.37Å; V732-L751 PolarHBondContact O-N 3.18Å; Q734-L751 HydrophobicContact CB-CD1 3.74Å; Q734-L751 HydrophobicContact CB-CD2 3.89Å; Q734-L751 HydrophobicContact CB-CG 3.72Å; Q734-L751 HydrophobicContact CG-CD1 4.49Å; E749-L751 PolarHBondContact O-N 3.42Å; L751-Y789 WeakPolarHBondContact CD1-OH 3.49Å |
| 752 | A | 93.8 | Very high | 82.1 | Confident | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 152.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V732 L750 L754 Y789 | V732-A752 HydrophobicContact CB-CB 4.23Å; V732-A752 HydrophobicContact CG2-CB 4.17Å; V732-A752 PolarHBondContact N-O 3.23Å; L750-A752 WeakPolarHBondContact CD1-O 3.25Å; A752-L754 HydrophobicContact CB-CD2 4.46Å; A752-Y789 HydrophobicContact CB-CD1 3.84Å; A752-Y789 HydrophobicContact CB-CD2 3.67Å; A752-Y789 HydrophobicContact CB-CE1 4.2Å; A752-Y789 HydrophobicContact CB-CE2 4.02Å; A752-Y789 HydrophobicContact CB-CG 3.55Å |
| 753 | E | 96.3 | Very high | 84.5 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.2 | 174.6 | -174.7 | 162.9 | 178.4 | 0 | 0 | 107.8 | T729 K731 | T729-E753 HydrophobicContact CG2-CG 4.18Å; T729-E753 WeakPolarHBondContact CG2-OE1 3.38Å; K731-E753 VanDerWaalsContact CE-CD 3.43Å; K731-E753 VanDerWaalsContact CE-OE1 3.29Å; K731-E753 WeakPolarHBondContact CE-OE1 3.31Å; K731-E753 HydrophobicContact CG-CB 4.47Å; K731-E753 HydrophobicContact CG-CG 4.1Å; K731-E753 IonicContact NZ-OE1 3.16Å |
| 754 | L | 96.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 104.4 | -175.9 | -45.7 | 178.5 | 0 | 0 | 0 | 108.3 | T729 V730 V732 A752 H756 L772 W784 Y789 | T729-L754 WeakPolarHBondContact CA-O 3.43Å; V730-L754 HydrophobicContact CB-CB 4.13Å; V730-L754 HydrophobicContact CB-CD1 4.2Å; V730-L754 HydrophobicContact CB-CG 4.43Å; V730-L754 HydrophobicContact CG1-CD1 4.32Å; V730-L754 PolarHBondContact N-O 3.05Å; V730-L754 PolarHBondContact O-N 2.79Å; V732-L754 HydrophobicContact CG2-CD1 4.5Å; A752-L754 HydrophobicContact CB-CD2 4.46Å; L754-H756 PolarHBondContact O-CE1 3.32Å; L754-H756 PolarHBondContact O-ND1 2.99Å; L754-L772 HydrophobicContact CD1-CD2 3.58Å; L754-W784 HydrophobicContact CB-CD2 4.26Å; L754-W784 HydrophobicContact CB-CE3 4.13Å; L754-W784 HydrophobicContact CB-CH2 3.87Å; L754-W784 HydrophobicContact CB-CZ2 4.01Å; L754-W784 HydrophobicContact CB-CZ3 3.91Å; L754-W784 HydrophobicContact CD1-CB 4.37Å; L754-W784 HydrophobicContact CD1-CD2 3.85Å; L754-W784 HydrophobicContact CD1-CE3 4.11Å; L754-W784 HydrophobicContact CD1-CG 3.96Å; L754-W784 HydrophobicContact CD2-CD2 4.46Å; L754-W784 HydrophobicContact CD2-CE3 3.87Å; L754-W784 HydrophobicContact CD2-CZ3 4.07Å; L754-W784 HydrophobicContact CG-CD2 4.41Å; L754-W784 HydrophobicContact CG-CE3 4.25Å; L754-W784 HydrophobicContact CG-CZ3 4.44Å; L754-Y789 HydrophobicContact CD2-CD1 4.45Å |
| 755 | E | 96.1 | Very high | 89.4 | Confident | 149 Ų | 149 | 54.7 Ų | 54.7 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 143.1 | -175.7 | -63.9 | -178.1 | 177.2 | 0 | 0 | 112 | ||
| 756 | H | 96 | Very high | 91.2 | Very high | 21 Ų | 21 | 47 Ų | 47 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | trans | -132.3 | 159 | 177 | -60.2 | 67.8 | 0 | 0 | 0 | 110.1 | S728 L754 A758 V760 S774 C776 W784 | S728-H756 VanDerWaalsContact CB-O 3.27Å; S728-H756 WeakPolarHBondContact CB-O 3.5Å; S728-H756 WeakPolarHBondContact O-CB 3.35Å; S728-H756 PolarHBondContact O-N 3.41Å; L754-H756 PolarHBondContact O-CE1 3.32Å; L754-H756 PolarHBondContact O-ND1 2.99Å; H756-A758 VanDerWaalsContact C-N 3.27Å; H756-A758 PolarHBondContact O-N 2.88Å; H756-V760 HydrophobicContact CB-CG2 4.13Å; H756-S774 WeakPolarHBondContact NE2-CB 3.46Å; H756-S774 PolarHBondContact NE2-OG 2.9Å; H756-C776 PolarHBondContact CD2-SG 3.46Å; H756-W784 AromaticContact CE1-CE2 3.88Å; H756-W784 AromaticContact CE1-CZ2 3.36Å; H756-W784 WeakPolarHBondContact CE1-CZ2 3.37Å; H756-W784 AromaticContact CE1-NE1 3.98Å; H756-W784 AromaticContact NE2-CE2 3.76Å; H756-W784 AromaticContact NE2-CZ2 3.38Å; H756-W784 WeakPolarHBondContact NE2-CZ2 3.41Å; H756-W784 AromaticContact NE2-NE1 3.59Å | ||
| 757 | D | 91.9 | Very high | 92.4 | Very high | 140 Ų | 140 | 48.7 Ų | 48.7 | 75% | 0.749 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -76.3 | -15.2 | 178.9 | -64.2 | -42.3 | 0 | 0 | 0 | 113.5 | ||
| 758 | A | 96.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -145.4 | 159.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S728 H756 V760 C776 D778 | S728-A758 VanDerWaalsContact OG-C 3.26Å; H756-A758 VanDerWaalsContact C-N 3.27Å; H756-A758 PolarHBondContact O-N 2.88Å; A758-V760 PolarHBondContact O-N 3.33Å; A758-C776 HydrophobicContact CB-CB 4.42Å; A758-C776 PolarHBondContact O-SG 2.82Å; A758-D778 HydrophobicContact CB-CB 3.81Å |
| 759 | G | 96.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | trans | -51.6 | 130.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S728 K777 | S728-G759 PolarHBondContact OG-N 2.88Å; G759-K777 WeakPolarHBondContact O-CG 3.22Å; G759-K777 PolarHBondContact O-N 3.34Å | ||
| 760 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.6 | -178.2 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | S712 A724 S725 V730 H756 A758 | S712-V760 WeakPolarHBondContact CB-O 3.49Å; S712-V760 PolarHBondContact OG-O 2.92Å; A724-V760 HydrophobicContact CB-CB 4.12Å; A724-V760 HydrophobicContact CB-CG1 3.73Å; S725-V760 CarbonylContact C-O 3.59Å; S725-V760 PolarHBondContact O-N 2.9Å; V730-V760 HydrophobicContact CG2-CB 4.32Å; V730-V760 HydrophobicContact CG2-CG1 3.88Å; V730-V760 HydrophobicContact CG2-CG2 4.03Å; H756-V760 HydrophobicContact CB-CG2 4.13Å; A758-V760 PolarHBondContact O-N 3.33Å |
| 761 | N | 96.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -38.8 | -178.1 | -168.1 | 64.2 | 0 | 0 | 0 | 112.1 | S712 G775 T801 I802 H803 | S712-N761 WeakPolarHBondContact CB-O 3.35Å; S712-N761 PolarHBondContact OG-O 2.98Å; S712-N761 VanDerWaalsContact OG-O 3.06Å; N761-G775 PolarHBondContact N-O 2.8Å; N761-T801 HydrophobicContact CB-CG2 4.16Å; N761-I802 WeakPolarHBondContact CB-O 3.25Å; N761-I802 PolarHBondContact ND2-O 3.12Å; N761-H803 PolarHBondContact ND2-O 3.19Å |
| 762 | T | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.8 | -176.3 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | E713 S774 G775 I802 S805 | E713-T762 WeakPolarHBondContact OE2-CA 3.45Å; E713-T762 WeakPolarHBondContact OE2-CB 3.39Å; E713-T762 PolarHBondContact OE2-OG1 2.88Å; T762-S774 WeakPolarHBondContact O-CA 3.39Å; T762-G775 PolarHBondContact N-O 2.86Å; T762-G775 PolarHBondContact O-N 3.15Å; T762-I802 HydrophobicContact CG2-CB 4.48Å; T762-I802 HydrophobicContact CG2-CG2 3.8Å; T762-S805 WeakPolarHBondContact CG2-OG 3.43Å; T762-S805 PolarHBondContact OG1-N 3.2Å |
| 763 | V | 97.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 135.6 | 175.2 | 68 | 0 | 0 | 0 | 0 | 111.6 | E713 A724 V730 L772 A773 | E713-V763 HydrophobicContact CB-CG1 4.23Å; E713-V763 HydrophobicContact CG-CG1 4.21Å; E713-V763 PolarHBondContact OE2-N 2.94Å; A724-V763 HydrophobicContact CB-CB 4.01Å; A724-V763 HydrophobicContact CB-CG1 3.88Å; V730-V763 HydrophobicContact CG1-CG2 4.47Å; V763-L772 HydrophobicContact CG2-CD1 3.38Å; V763-L772 HydrophobicContact CG2-CD2 4.23Å; V763-L772 HydrophobicContact CG2-CG 3.84Å; V763-A773 CarbonylContact C-O 3.49Å; V763-A773 VanDerWaalsContact CA-O 3.31Å; V763-A773 WeakPolarHBondContact CA-O 3.31Å |
| 764 | A | 96.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L772 A773 S805 F807 | A764-L772 WeakPolarHBondContact O-CA 3Å; A764-A773 PolarHBondContact N-O 3.06Å; A764-A773 PolarHBondContact O-N 2.83Å; A764-S805 VanDerWaalsContact CB-O 3.25Å; A764-S805 WeakPolarHBondContact CB-O 3.41Å; A764-F807 WeakPolarHBondContact O-CE2 3.42Å |
| 765 | L | 94.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 149.3 | 169.9 | -76.3 | 165.9 | 0 | 0 | 0 | 109.9 | C715 F717 Y722 L771 L772 T786 | C715-L765 HydrophobicContact CB-CD1 4.38Å; F717-L765 HydrophobicContact CB-CD1 3.49Å; F717-L765 VanDerWaalsContact CB-CD1 3.49Å; F717-L765 HydrophobicContact CG-CD1 4.42Å; Y722-L765 HydrophobicContact CD2-CD1 3.75Å; Y722-L765 HydrophobicContact CD2-CG 4.49Å; Y722-L765 HydrophobicContact CE1-CD2 4.49Å; Y722-L765 HydrophobicContact CE2-CD1 3.68Å; Y722-L765 HydrophobicContact CE2-CD2 4.22Å; Y722-L765 HydrophobicContact CE2-CG 4.48Å; L765-L771 WeakPolarHBondContact CA-O 3.39Å; L765-L771 WeakPolarHBondContact CD2-O 3.49Å; L765-L772 HydrophobicContact CD2-CB 4.07Å; L765-L772 HydrophobicContact CD2-CD1 3.52Å; L765-L772 HydrophobicContact CD2-CG 4.45Å; L765-L772 HydrophobicContact CG-CD1 3.79Å; L765-T786 HydrophobicContact CD2-CG2 3.77Å |
| 766 | N | 92.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | trans | -71.3 | 161.4 | 166.6 | 76.5 | -31.8 | 0 | 0 | 0 | 110.8 | A768 G769 T770 L771 F807 S811 | N766-A768 PolarHBondContact O-N 3.38Å; N766-A768 VanDerWaalsContact O-N 3.08Å; N766-G769 PolarHBondContact O-N 3.24Å; N766-G769 WeakPolarHBondContact OD1-CA 3.43Å; N766-G769 PolarHBondContact OD1-N 2.55Å; N766-T770 PolarHBondContact ND2-OG1 3.23Å; N766-T770 PolarHBondContact OD1-N 3.35Å; N766-L771 HydrophobicContact CB-CB 4.31Å; N766-L771 PolarHBondContact N-O 3.27Å; N766-L771 PolarHBondContact OD1-N 2.77Å; N766-L771 PolarHBondContact OD1-O 3.33Å; N766-F807 HydrophobicContact CB-CB 4.23Å; N766-F807 HydrophobicContact CB-CD1 4.1Å; N766-F807 HydrophobicContact CB-CD2 3.87Å; N766-F807 HydrophobicContact CB-CE1 4.43Å; N766-F807 HydrophobicContact CB-CE2 4.21Å; N766-F807 HydrophobicContact CB-CG 3.8Å; N766-F807 HydrophobicContact CB-CZ 4.48Å; N766-S811 PolarHBondContact ND2-OG 3.44Å | ||
| 767 | P | 84.5 | Confident | 94.3 | Very high | 87 Ų | 87 | 28.1 Ų | 28.1 | 57% | 0.565 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.4 | -177.9 | -29.8 | 36.7 | 0 | 0 | 0 | 115.1 | ||
| 768 | A | 82.3 | Confident | 94.5 | Very high | 56 Ų | 56 | 24 Ų | 24 | 46% | 0.463 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | F717 N766 T770 | F717-A768 WeakPolarHBondContact CE1-O 3Å; F717-A768 VanDerWaalsContact CZ-C 3.44Å; F717-A768 WeakPolarHBondContact CZ-O 3.5Å; N766-A768 PolarHBondContact O-N 3.38Å; N766-A768 VanDerWaalsContact O-N 3.08Å; A768-T770 HydrophobicContact CB-CG2 4.16Å; A768-T770 PolarHBondContact O-N 3.17Å |
| 769 | G | 88.3 | Confident | 94.5 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 63.9 | 16.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N766 T786 | N766-G769 PolarHBondContact O-N 3.24Å; N766-G769 WeakPolarHBondContact OD1-CA 3.43Å; N766-G769 PolarHBondContact OD1-N 2.55Å; G769-T786 WeakPolarHBondContact O-CB 3.39Å; G769-T786 WeakPolarHBondContact O-CG2 3.36Å; G769-T786 PolarHBondContact O-OG1 3.08Å |
| 770 | T | 90.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 23.3 Ų | 23.3 | 44% | 0.436 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -87.1 | -20.5 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | N766 A768 T786 | N766-T770 PolarHBondContact ND2-OG1 3.23Å; N766-T770 PolarHBondContact OD1-N 3.35Å; A768-T770 HydrophobicContact CB-CG2 4.16Å; A768-T770 PolarHBondContact O-N 3.17Å; T770-T786 WeakPolarHBondContact CA-OG1 3.27Å; T770-T786 PolarHBondContact O-N 2.84Å; T770-T786 PolarHBondContact O-OG1 3.45Å; T770-T786 VanDerWaalsContact O-OG1 3.08Å |
| 771 | L | 94.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.4 | -177.5 | -61.5 | 176.5 | 0 | 0 | 0 | 110.7 | L765 N766 W784 L792 F807 V828 | L765-L771 WeakPolarHBondContact CA-O 3.39Å; L765-L771 WeakPolarHBondContact CD2-O 3.49Å; N766-L771 HydrophobicContact CB-CB 4.31Å; N766-L771 PolarHBondContact N-O 3.27Å; N766-L771 PolarHBondContact OD1-N 2.77Å; N766-L771 PolarHBondContact OD1-O 3.33Å; L771-W784 WeakPolarHBondContact CA-O 3.26Å; L771-L792 HydrophobicContact CD2-CD1 3.5Å; L771-L792 VanDerWaalsContact CD2-CD1 3.5Å; L771-F807 HydrophobicContact CB-CE1 4.15Å; L771-F807 HydrophobicContact CB-CZ 3.78Å; L771-F807 HydrophobicContact CD1-CE1 4.39Å; L771-V828 HydrophobicContact CD1-CG1 3.71Å |
| 772 | L | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.7 | 176.7 | -175.8 | 80.7 | 0 | 0 | 0 | 109.1 | Y722 V730 L754 V763 A764 L765 I783 W784 T786 | Y722-L772 HydrophobicContact CD1-CD1 3.82Å; Y722-L772 HydrophobicContact CD1-CD2 3.94Å; Y722-L772 HydrophobicContact CE1-CD1 4.35Å; Y722-L772 HydrophobicContact CE1-CD2 4.41Å; Y722-L772 HydrophobicContact CG-CD1 4.13Å; V730-L772 HydrophobicContact CG1-CD2 4.14Å; L754-L772 HydrophobicContact CD1-CD2 3.58Å; V763-L772 HydrophobicContact CG2-CD1 3.38Å; V763-L772 HydrophobicContact CG2-CD2 4.23Å; V763-L772 HydrophobicContact CG2-CG 3.84Å; A764-L772 WeakPolarHBondContact O-CA 3Å; L765-L772 HydrophobicContact CD2-CB 4.07Å; L765-L772 HydrophobicContact CD2-CD1 3.52Å; L765-L772 HydrophobicContact CD2-CG 4.45Å; L765-L772 HydrophobicContact CG-CD1 3.79Å; L772-I783 CarbonylContact O-C 3.55Å; L772-I783 WeakPolarHBondContact O-CA 3.48Å; L772-W784 HydrophobicContact CB-CB 4.19Å; L772-W784 HydrophobicContact CD2-CG 4.48Å; L772-W784 PolarHBondContact N-O 3.03Å; L772-W784 PolarHBondContact O-N 3.24Å; L772-T786 HydrophobicContact CB-CG2 3.99Å |
| 773 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V763 A764 T782 I783 F807 V814 | V763-A773 CarbonylContact C-O 3.49Å; V763-A773 VanDerWaalsContact CA-O 3.31Å; V763-A773 WeakPolarHBondContact CA-O 3.31Å; A764-A773 PolarHBondContact N-O 3.06Å; A764-A773 PolarHBondContact O-N 2.83Å; A773-T782 CarbonylContact C-O 3.56Å; A773-T782 WeakPolarHBondContact CA-O 3.37Å; A773-I783 HydrophobicContact CB-CD1 3.75Å; A773-F807 HydrophobicContact CB-CD2 4.25Å; A773-F807 HydrophobicContact CB-CE2 3.48Å; A773-F807 VanDerWaalsContact CB-CE2 3.48Å; A773-F807 HydrophobicContact CB-CZ 3.7Å; A773-V814 HydrophobicContact CB-CG1 4.43Å; A773-V814 HydrophobicContact CB-CG2 4.2Å |
| 774 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.6 | 172.5 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | H756 T762 V781 T782 W784 | H756-S774 WeakPolarHBondContact NE2-CB 3.46Å; H756-S774 PolarHBondContact NE2-OG 2.9Å; T762-S774 WeakPolarHBondContact O-CA 3.39Å; S774-V781 CarbonylContact O-C 3.49Å; S774-V781 WeakPolarHBondContact O-CA 3Å; S774-T782 PolarHBondContact N-O 2.9Å; S774-T782 PolarHBondContact O-N 2.92Å; S774-T782 PolarHBondContact OG-O 3.38Å; S774-W784 PolarHBondContact OG-NE1 2.92Å |
| 775 | G | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N761 T762 | N761-G775 PolarHBondContact N-O 2.8Å; T762-G775 PolarHBondContact N-O 2.86Å; T762-G775 PolarHBondContact O-N 3.15Å |
| 776 | C | 97.4 | Very high | 94 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 165.6 | -173.2 | -73.4 | 0 | 0 | 0 | 0 | 114 | H756 A758 D778 G779 T780 I802 | H756-C776 PolarHBondContact CD2-SG 3.46Å; A758-C776 HydrophobicContact CB-CB 4.42Å; A758-C776 PolarHBondContact O-SG 2.82Å; C776-D778 VanDerWaalsContact C-N 3.26Å; C776-D778 WeakPolarHBondContact CB-OD1 3.4Å; C776-D778 PolarHBondContact O-N 3.46Å; C776-G779 PolarHBondContact O-N 2.85Å; C776-T780 PolarHBondContact N-O 2.92Å; C776-I802 PolarHBondContact O-N 2.8Å |
| 777 | K | 96.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 26.1 Ų | 26.1 | 34% | 0.335 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.1 | 175.3 | -75.9 | 177 | -178.3 | 175.9 | 0 | 114.1 | W726 G759 G779 G800 T801 | W726-K777 VanDerWaalsContact CD1-CE 3.43Å; G759-K777 WeakPolarHBondContact O-CG 3.22Å; G759-K777 PolarHBondContact O-N 3.34Å; K777-G779 VanDerWaalsContact C-N 3.27Å; K777-G800 CarbonylContact O-C 3.57Å; K777-T801 HydrophobicContact CG-CG2 4.1Å; K777-T801 WeakPolarHBondContact O-CA 3.21Å; K777-T801 PolarHBondContact O-N 3.27Å |
| 778 | D | 95.5 | Very high | 93.9 | Very high | 54 Ų | 54 | 24.4 Ų | 24.4 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.6 | 177.4 | 70.1 | -21.1 | 0 | 0 | 0 | 113 | A758 C776 T780 H796 | A758-D778 HydrophobicContact CB-CB 3.81Å; C776-D778 VanDerWaalsContact C-N 3.26Å; C776-D778 WeakPolarHBondContact CB-OD1 3.4Å; C776-D778 PolarHBondContact O-N 3.46Å; D778-T780 VanDerWaalsContact CG-OG1 3.27Å; D778-T780 WeakPolarHBondContact OD1-CB 3.16Å; D778-T780 PolarHBondContact OD1-N 3.44Å; D778-T780 PolarHBondContact OD1-OG1 3.09Å; D778-T780 PolarHBondContact OD2-OG1 2.88Å; D778-H796 PolarHBondContact O-CE1 3.34Å |
| 779 | G | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 94.8 | 7.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C776 K777 C797 H798 G800 | C776-G779 PolarHBondContact O-N 2.85Å; K777-G779 VanDerWaalsContact C-N 3.27Å; G779-C797 PolarHBondContact O-N 3.31Å; G779-H798 WeakPolarHBondContact CA-O 3.38Å; G779-H798 PolarHBondContact O-N 2.89Å; G779-G800 WeakPolarHBondContact CA-O 3.42Å; G779-G800 PolarHBondContact N-O 2.82Å |
| 780 | T | 97.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.8 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | C776 D778 Q794 V795 I802 | C776-T780 PolarHBondContact N-O 2.92Å; D778-T780 VanDerWaalsContact CG-OG1 3.27Å; D778-T780 WeakPolarHBondContact OD1-CB 3.16Å; D778-T780 PolarHBondContact OD1-N 3.44Å; D778-T780 PolarHBondContact OD1-OG1 3.09Å; D778-T780 PolarHBondContact OD2-OG1 2.88Å; T780-Q794 HydrophobicContact CG2-CG 3.57Å; T780-V795 WeakPolarHBondContact CA-O 3.34Å; T780-I802 WeakPolarHBondContact O-CD1 3.4Å |
| 781 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.1 | 166.7 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | S774 I783 V795 C797 I802 V814 M826 | S774-V781 CarbonylContact O-C 3.49Å; S774-V781 WeakPolarHBondContact O-CA 3Å; V781-I783 HydrophobicContact CG1-CD1 4.16Å; V781-V795 PolarHBondContact N-O 2.82Å; V781-V795 PolarHBondContact O-N 3.42Å; V781-C797 HydrophobicContact CG2-CB 3.98Å; V781-I802 HydrophobicContact CB-CD1 4.42Å; V781-I802 HydrophobicContact CG2-CD1 3.3Å; V781-V814 HydrophobicContact CG1-CG1 4.28Å; V781-M826 HydrophobicContact CB-SD 3.96Å; V781-M826 HydrophobicContact CG1-SD 3.69Å |
| 782 | T | 97.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.9 | 177.4 | -49.6 | 0 | 0 | 0 | 0 | 110.3 | A773 S774 W784 T791 Q793 Q794 | A773-T782 CarbonylContact C-O 3.56Å; A773-T782 WeakPolarHBondContact CA-O 3.37Å; S774-T782 PolarHBondContact N-O 2.9Å; S774-T782 PolarHBondContact O-N 2.92Å; S774-T782 PolarHBondContact OG-O 3.38Å; T782-W784 HydrophobicContact CG2-CD2 4.15Å; T782-W784 HydrophobicContact CG2-CH2 4.3Å; T782-W784 HydrophobicContact CG2-CZ2 3.46Å; T782-W784 VanDerWaalsContact CG2-CZ2 3.46Å; T782-T791 HydrophobicContact CG2-CG2 3.49Å; T782-T791 VanDerWaalsContact CG2-CG2 3.49Å; T782-Q793 CarbonylContact C-O 3.56Å; T782-Q793 WeakPolarHBondContact CA-O 3.32Å; T782-Q793 WeakPolarHBondContact CG2-O 3.47Å; T782-Q794 HydrophobicContact CG2-CB 4.22Å; T782-Q794 HydrophobicContact CG2-CG 4.43Å |
| 783 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.6 | 175.7 | -51.9 | -56.5 | 0 | 0 | 0 | 108.7 | L772 A773 V781 L792 Q793 F807 V814 M826 V828 | L772-I783 CarbonylContact O-C 3.55Å; L772-I783 WeakPolarHBondContact O-CA 3.48Å; A773-I783 HydrophobicContact CB-CD1 3.75Å; V781-I783 HydrophobicContact CG1-CD1 4.16Å; I783-L792 HydrophobicContact CG2-CB 4.39Å; I783-L792 HydrophobicContact CG2-CD1 4.33Å; I783-L792 PolarHBondContact O-N 3.01Å; I783-Q793 HydrophobicContact CB-CB 4.18Å; I783-Q793 HydrophobicContact CG1-CB 4.17Å; I783-Q793 PolarHBondContact N-O 3.19Å; I783-Q793 PolarHBondContact O-N 3.29Å; I783-F807 HydrophobicContact CD1-CE1 4.47Å; I783-F807 HydrophobicContact CD1-CZ 4.27Å; I783-V814 HydrophobicContact CD1-CG2 3.89Å; I783-M826 HydrophobicContact CG1-CE 4.13Å; I783-V828 HydrophobicContact CG2-CG1 4.05Å |
| 784 | W | 95.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144 | -178.8 | -47.3 | 79.3 | 0 | 0 | 0 | 110.7 | L754 H756 L771 L772 S774 T782 Q790 T791 | L754-W784 HydrophobicContact CB-CD2 4.26Å; L754-W784 HydrophobicContact CB-CE3 4.13Å; L754-W784 HydrophobicContact CB-CH2 3.87Å; L754-W784 HydrophobicContact CB-CZ2 4.01Å; L754-W784 HydrophobicContact CB-CZ3 3.91Å; L754-W784 HydrophobicContact CD1-CB 4.37Å; L754-W784 HydrophobicContact CD1-CD2 3.85Å; L754-W784 HydrophobicContact CD1-CE3 4.11Å; L754-W784 HydrophobicContact CD1-CG 3.96Å; L754-W784 HydrophobicContact CD2-CD2 4.46Å; L754-W784 HydrophobicContact CD2-CE3 3.87Å; L754-W784 HydrophobicContact CD2-CZ3 4.07Å; L754-W784 HydrophobicContact CG-CD2 4.41Å; L754-W784 HydrophobicContact CG-CE3 4.25Å; L754-W784 HydrophobicContact CG-CZ3 4.44Å; H756-W784 AromaticContact CE1-CE2 3.88Å; H756-W784 AromaticContact CE1-CZ2 3.36Å; H756-W784 WeakPolarHBondContact CE1-CZ2 3.37Å; H756-W784 AromaticContact CE1-NE1 3.98Å; H756-W784 AromaticContact NE2-CE2 3.76Å; H756-W784 AromaticContact NE2-CZ2 3.38Å; H756-W784 WeakPolarHBondContact NE2-CZ2 3.41Å; H756-W784 AromaticContact NE2-NE1 3.59Å; L771-W784 WeakPolarHBondContact CA-O 3.26Å; L772-W784 HydrophobicContact CB-CB 4.19Å; L772-W784 HydrophobicContact CD2-CG 4.48Å; L772-W784 PolarHBondContact N-O 3.03Å; L772-W784 PolarHBondContact O-N 3.24Å; S774-W784 PolarHBondContact OG-NE1 2.92Å; T782-W784 HydrophobicContact CG2-CD2 4.15Å; T782-W784 HydrophobicContact CG2-CH2 4.3Å; T782-W784 HydrophobicContact CG2-CZ2 3.46Å; T782-W784 VanDerWaalsContact CG2-CZ2 3.46Å; W784-Q790 WeakPolarHBondContact CA-O 3.42Å; W784-T791 WeakPolarHBondContact CH2-OG1 3.24Å; W784-T791 WeakPolarHBondContact CZ3-OG1 3.31Å |
| 785 | D | 91.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.1 | 166.3 | 171.8 | 11.8 | 0 | 0 | 0 | 109.4 | S787 S788 Y789 Q790 L792 | D785-S787 VanDerWaalsContact C-N 3.26Å; D785-S787 VanDerWaalsContact CG-OG 3.23Å; D785-S787 PolarHBondContact O-N 2.91Å; D785-S787 WeakPolarHBondContact OD1-CB 3.49Å; D785-S787 PolarHBondContact OD1-N 2.92Å; D785-S787 PolarHBondContact OD1-OG 2.82Å; D785-S787 PolarHBondContact OD2-OG 2.81Å; D785-S788 VanDerWaalsContact CG-OG 3.29Å; D785-S788 WeakPolarHBondContact OD2-CB 3.39Å; D785-S788 PolarHBondContact OD2-N 2.78Å; D785-S788 PolarHBondContact OD2-OG 3.28Å; D785-Y789 WeakPolarHBondContact O-CA 3.48Å; D785-Y789 PolarHBondContact O-N 2.89Å; D785-Q790 PolarHBondContact N-O 3.2Å; D785-L792 HydrophobicContact CB-CD1 4.12Å; D785-L792 HydrophobicContact CB-CD2 4.17Å; D785-L792 HydrophobicContact CB-CG 4.11Å |
| 786 | T | 88.1 | Confident | 93.7 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.8 | -177.9 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | R720 Y722 L765 G769 T770 L772 Y789 | R720-T786 PolarHBondContact NH1-O 2.84Å; Y722-T786 HydrophobicContact CE1-CG2 4.3Å; L765-T786 HydrophobicContact CD2-CG2 3.77Å; G769-T786 WeakPolarHBondContact O-CB 3.39Å; G769-T786 WeakPolarHBondContact O-CG2 3.36Å; G769-T786 PolarHBondContact O-OG1 3.08Å; T770-T786 WeakPolarHBondContact CA-OG1 3.27Å; T770-T786 PolarHBondContact O-N 2.84Å; T770-T786 PolarHBondContact O-OG1 3.45Å; T770-T786 VanDerWaalsContact O-OG1 3.08Å; L772-T786 HydrophobicContact CB-CG2 3.99Å; T786-Y789 WeakPolarHBondContact O-CE1 3.44Å |
| 787 | S | 88.3 | Confident | 93.3 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -41.6 | 177.1 | 72.5 | 0 | 0 | 0 | 0 | 112.5 | D785 | D785-S787 VanDerWaalsContact C-N 3.26Å; D785-S787 VanDerWaalsContact CG-OG 3.23Å; D785-S787 PolarHBondContact O-N 2.91Å; D785-S787 WeakPolarHBondContact OD1-CB 3.49Å; D785-S787 PolarHBondContact OD1-N 2.92Å; D785-S787 PolarHBondContact OD1-OG 2.82Å; D785-S787 PolarHBondContact OD2-OG 2.81Å |
| 788 | S | 87.5 | Confident | 93.2 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -14.6 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 114 | D785 Q790 | D785-S788 VanDerWaalsContact CG-OG 3.29Å; D785-S788 WeakPolarHBondContact OD2-CB 3.39Å; D785-S788 PolarHBondContact OD2-N 2.78Å; D785-S788 PolarHBondContact OD2-OG 3.28Å; S788-Q790 PolarHBondContact O-N 2.84Å; S788-Q790 PolarHBondContact OG-N 3.12Å |
| 789 | Y | 91.1 | Very high | 93 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | trans | 59.2 | 21.1 | -172.1 | -54.8 | -65.2 | 0 | 0 | 0 | 114.1 | R720 V732 L751 A752 L754 D785 T786 | R720-Y789 PolarHBondContact NH1-OH 2.83Å; V732-Y789 HydrophobicContact CB-CE1 4.21Å; V732-Y789 HydrophobicContact CG1-CE1 3.93Å; V732-Y789 HydrophobicContact CG2-CD1 4.19Å; V732-Y789 HydrophobicContact CG2-CE1 3.91Å; L751-Y789 WeakPolarHBondContact CD1-OH 3.49Å; A752-Y789 HydrophobicContact CB-CD1 3.84Å; A752-Y789 HydrophobicContact CB-CD2 3.67Å; A752-Y789 HydrophobicContact CB-CE1 4.2Å; A752-Y789 HydrophobicContact CB-CE2 4.02Å; A752-Y789 HydrophobicContact CB-CG 3.55Å; L754-Y789 HydrophobicContact CD2-CD1 4.45Å; D785-Y789 WeakPolarHBondContact O-CA 3.48Å; D785-Y789 PolarHBondContact O-N 2.89Å; T786-Y789 WeakPolarHBondContact O-CE1 3.44Å | ||
| 790 | Q | 89.8 | Confident | 92.9 | Very high | 133 Ų | 133 | 46 Ų | 46 | 62% | 0.621 | 26% | 0.259 | S | S | * | . | trans | -88.4 | 146 | 176.5 | -66 | -172.6 | -15.8 | 0 | 0 | 111.4 | W784 D785 S788 L792 | W784-Q790 WeakPolarHBondContact CA-O 3.42Å; D785-Q790 PolarHBondContact N-O 3.2Å; S788-Q790 PolarHBondContact O-N 2.84Å; S788-Q790 PolarHBondContact OG-N 3.12Å; Q790-L792 PolarHBondContact O-N 3.39Å | ||
| 791 | T | 93.1 | Very high | 92.8 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.4 | 170.4 | -49 | 0 | 0 | 0 | 0 | 109.8 | T782 W784 Q794 | T782-T791 HydrophobicContact CG2-CG2 3.49Å; T782-T791 VanDerWaalsContact CG2-CG2 3.49Å; W784-T791 WeakPolarHBondContact CH2-OG1 3.24Å; W784-T791 WeakPolarHBondContact CZ3-OG1 3.31Å; T791-Q794 HydrophobicContact CG2-CB 4.26Å |
| 792 | L | 89.2 | Confident | 92.8 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -45.6 | 173.1 | -62.9 | -178.8 | 0 | 0 | 0 | 111.3 | L771 I783 D785 Q790 | L771-L792 HydrophobicContact CD2-CD1 3.5Å; L771-L792 VanDerWaalsContact CD2-CD1 3.5Å; I783-L792 HydrophobicContact CG2-CB 4.39Å; I783-L792 HydrophobicContact CG2-CD1 4.33Å; I783-L792 PolarHBondContact O-N 3.01Å; D785-L792 HydrophobicContact CB-CD1 4.12Å; D785-L792 HydrophobicContact CB-CD2 4.17Å; D785-L792 HydrophobicContact CB-CG 4.11Å; Q790-L792 PolarHBondContact O-N 3.39Å |
| 793 | Q | 91.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 141.9 | -179 | -64.5 | -60.8 | -18.6 | 0 | 0 | 109.8 | T782 I783 V795 V828 Q829 | T782-Q793 CarbonylContact C-O 3.56Å; T782-Q793 WeakPolarHBondContact CA-O 3.32Å; T782-Q793 WeakPolarHBondContact CG2-O 3.47Å; I783-Q793 HydrophobicContact CB-CB 4.18Å; I783-Q793 HydrophobicContact CG1-CB 4.17Å; I783-Q793 PolarHBondContact N-O 3.19Å; I783-Q793 PolarHBondContact O-N 3.29Å; Q793-V795 HydrophobicContact CB-CG2 4.47Å; Q793-V828 WeakPolarHBondContact CG-O 3.02Å; Q793-Q829 PolarHBondContact NE2-O 2.52Å |
| 794 | Q | 95.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 111.9 | 171.7 | -176.9 | 176 | -9.8 | 0 | 0 | 107.7 | T780 T782 T791 | T780-Q794 HydrophobicContact CG2-CG 3.57Å; T782-Q794 HydrophobicContact CG2-CB 4.22Å; T782-Q794 HydrophobicContact CG2-CG 4.43Å; T791-Q794 HydrophobicContact CG2-CB 4.26Å |
| 795 | V | 94.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.7 | -169.4 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | T780 V781 Q793 C797 M826 M833 | T780-V795 WeakPolarHBondContact CA-O 3.34Å; V781-V795 PolarHBondContact N-O 2.82Å; V781-V795 PolarHBondContact O-N 3.42Å; Q793-V795 HydrophobicContact CB-CG2 4.47Å; V795-C797 PolarHBondContact O-N 3.34Å; V795-M826 HydrophobicContact CB-CE 4.29Å; V795-M826 HydrophobicContact CG2-CE 3.81Å; V795-M833 HydrophobicContact CG1-SD 4.48Å |
| 796 | H | 95.3 | Very high | 92.9 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 57% | 0.569 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 94.3 | 173.5 | -171.5 | 78 | 0 | 0 | 0 | 109.7 | D778 H798 | D778-H796 PolarHBondContact O-CE1 3.34Å; H796-H798 PolarHBondContact CE1-O 3.14Å; H796-H798 PolarHBondContact NE2-O 3.09Å |
| 797 | C | 90.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -87.2 | -43.6 | -172 | -69.8 | 0 | 0 | 0 | 0 | 112 | G779 V781 V795 K824 | G779-C797 PolarHBondContact O-N 3.31Å; V781-C797 HydrophobicContact CG2-CB 3.98Å; V795-C797 PolarHBondContact O-N 3.34Å; C797-K824 WeakPolarHBondContact O-CD 3.48Å; C797-K824 VanDerWaalsContact O-CE 3.29Å; C797-K824 WeakPolarHBondContact O-CE 3.38Å; C797-K824 PolarHBondContact O-NZ 3.02Å | ||
| 798 | H | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -120.1 | 158 | -170.9 | -66.4 | -92.2 | 0 | 0 | 0 | 112.3 | G779 H796 G800 I802 S816 D820 Y822 | G779-H798 WeakPolarHBondContact CA-O 3.38Å; G779-H798 PolarHBondContact O-N 2.89Å; H796-H798 PolarHBondContact CE1-O 3.14Å; H796-H798 PolarHBondContact NE2-O 3.09Å; H798-G800 PolarHBondContact O-N 3.33Å; H798-I802 HydrophobicContact CB-CG1 4.48Å; H798-S816 PolarHBondContact CD2-OG 3.34Å; H798-S816 WeakPolarHBondContact NE2-CB 3.38Å; H798-S816 PolarHBondContact NE2-O 3.36Å; H798-S816 PolarHBondContact NE2-OG 3.27Å; H798-D820 WeakPolarHBondContact CA-OD2 3Å; H798-D820 IonicContact CE1-OD1 2.77Å; H798-D820 IonicContact CG-OD1 3.27Å; H798-D820 IonicContact CG-OD2 2.99Å; H798-D820 IonicContact ND1-OD1 3.46Å; H798-D820 PolarHBondContact ND1-OD1 3.18Å; H798-D820 IonicContact ND1-OD2 3.58Å; H798-D820 PolarHBondContact ND1-OD2 3Å; H798-Y822 PolarHBondContact CE1-O 3.13Å; H798-Y822 VanDerWaalsContact CE1-O 3.28Å | ||
| 799 | A | 91.2 | Very high | 93 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 74% | 0.736 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -86.1 | 9.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D820 | A799-D820 HydrophobicContact CB-CB 4.31Å; A799-D820 PolarHBondContact N-OD2 2.88Å |
| 800 | G | 92.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 47 Ų | 47 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -167.9 | -167.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.5 | K777 G779 H798 I802 | K777-G800 CarbonylContact O-C 3.57Å; G779-G800 WeakPolarHBondContact CA-O 3.42Å; G779-G800 PolarHBondContact N-O 2.82Å; H798-G800 PolarHBondContact O-N 3.33Å; G800-I802 PolarHBondContact O-N 3.29Å |
| 801 | T | 96.2 | Very high | 92.2 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | trans | -59.5 | 131.6 | -171.1 | -47.2 | 0 | 0 | 0 | 0 | 111.4 | N761 K777 H803 G818 D819 | N761-T801 HydrophobicContact CB-CG2 4.16Å; K777-T801 HydrophobicContact CG-CG2 4.1Å; K777-T801 WeakPolarHBondContact O-CA 3.21Å; K777-T801 PolarHBondContact O-N 3.27Å; T801-H803 PolarHBondContact O-N 3.11Å; T801-G818 CarbonylContact O-C 3.5Å; T801-G818 WeakPolarHBondContact O-CA 3.35Å; T801-D819 WeakPolarHBondContact CA-OD2 3.35Å; T801-D819 WeakPolarHBondContact CB-OD2 3.35Å; T801-D819 PolarHBondContact N-OD2 3.03Å; T801-D819 PolarHBondContact O-N 2.86Å; T801-D819 PolarHBondContact OG1-OD2 3.18Å | ||
| 802 | I | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.1 | 168.2 | -56.1 | -173.5 | 0 | 0 | 0 | 108.5 | N761 T762 C776 T780 V781 H798 G800 | N761-I802 WeakPolarHBondContact CB-O 3.25Å; N761-I802 PolarHBondContact ND2-O 3.12Å; T762-I802 HydrophobicContact CG2-CB 4.48Å; T762-I802 HydrophobicContact CG2-CG2 3.8Å; C776-I802 PolarHBondContact O-N 2.8Å; T780-I802 WeakPolarHBondContact O-CD1 3.4Å; V781-I802 HydrophobicContact CB-CD1 4.42Å; V781-I802 HydrophobicContact CG2-CD1 3.3Å; H798-I802 HydrophobicContact CB-CG1 4.48Å; G800-I802 PolarHBondContact O-N 3.29Å |
| 803 | H | 95.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -42.6 | 179.5 | -67.4 | -45.1 | 0 | 0 | 0 | 112.3 | N761 T801 V817 D819 Q843 R844 | N761-H803 PolarHBondContact ND2-O 3.19Å; T801-H803 PolarHBondContact O-N 3.11Å; H803-V817 HydrophobicContact CB-CG2 4.39Å; H803-V817 PolarHBondContact N-O 2.88Å; H803-D819 IonicContact CE1-OD1 3.35Å; H803-D819 PolarHBondContact CE1-OD1 2.88Å; H803-D819 IonicContact NE2-OD1 3.05Å; H803-D819 PolarHBondContact NE2-OD1 2.6Å; H803-Q843 PolarHBondContact CD2-O 3.35Å; H803-R844 PolarHBondContact NE2-NE 3.39Å |
| 804 | H | 95.9 | Very high | 91.9 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 18% | 0.181 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145.4 | -177.9 | -169.6 | -141.5 | 0 | 0 | 0 | 110.4 | V817 F846 | H804-V817 HydrophobicContact CB-CG2 4Å; H804-V817 PolarHBondContact O-N 2.81Å; H804-F846 HydrophobicContact CB-CD1 4.24Å; H804-F846 HydrophobicContact CB-CE1 4.03Å; H804-F846 PolarHBondContact CE1-O 3.24Å; H804-F846 VanDerWaalsContact CE1-O 3.28Å; H804-F846 AromaticContact CG-CE1 3.95Å; H804-F846 AromaticContact ND1-CD1 3.41Å; H804-F846 WeakPolarHBondContact ND1-CD1 3.49Å; H804-F846 AromaticContact ND1-CE1 3.46Å; H804-F846 WeakPolarHBondContact ND1-CE1 3.23Å; H804-F846 AromaticContact ND1-CG 3.96Å; H804-F846 PolarHBondContact ND1-N 3.23Å |
| 805 | S | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.7 | 173.8 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | T762 A764 L815 | T762-S805 WeakPolarHBondContact CG2-OG 3.43Å; T762-S805 PolarHBondContact OG1-N 3.2Å; A764-S805 VanDerWaalsContact CB-O 3.25Å; A764-S805 WeakPolarHBondContact CB-O 3.41Å; S805-L815 VanDerWaalsContact CA-O 3.26Å; S805-L815 WeakPolarHBondContact CA-O 3.49Å |
| 806 | A | 96.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 31 Ų | 31 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L815 F846 W848 | A806-L815 PolarHBondContact N-O 2.92Å; A806-L815 PolarHBondContact O-N 3.44Å; A806-F846 HydrophobicContact CB-CE2 3.8Å; A806-F846 HydrophobicContact CB-CZ 3.85Å; A806-W848 WeakPolarHBondContact O-CZ2 3.33Å; A806-W848 PolarHBondContact O-NE1 3.47Å |
| 807 | F | 94.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 25.1 Ų | 25.1 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 149.7 | 170.6 | -74.3 | -85.5 | 0 | 0 | 0 | 111 | A764 N766 L771 A773 I783 H813 V814 V828 W848 | A764-F807 WeakPolarHBondContact O-CE2 3.42Å; N766-F807 HydrophobicContact CB-CB 4.23Å; N766-F807 HydrophobicContact CB-CD1 4.1Å; N766-F807 HydrophobicContact CB-CD2 3.87Å; N766-F807 HydrophobicContact CB-CE1 4.43Å; N766-F807 HydrophobicContact CB-CE2 4.21Å; N766-F807 HydrophobicContact CB-CG 3.8Å; N766-F807 HydrophobicContact CB-CZ 4.48Å; L771-F807 HydrophobicContact CB-CE1 4.15Å; L771-F807 HydrophobicContact CB-CZ 3.78Å; L771-F807 HydrophobicContact CD1-CE1 4.39Å; A773-F807 HydrophobicContact CB-CD2 4.25Å; A773-F807 HydrophobicContact CB-CE2 3.48Å; A773-F807 VanDerWaalsContact CB-CE2 3.48Å; A773-F807 HydrophobicContact CB-CZ 3.7Å; I783-F807 HydrophobicContact CD1-CE1 4.47Å; I783-F807 HydrophobicContact CD1-CZ 4.27Å; F807-H813 CarbonylContact C-O 3.21Å; F807-H813 WeakPolarHBondContact CA-O 3.22Å; F807-V814 HydrophobicContact CD1-CG2 3.42Å; F807-V814 VanDerWaalsContact CD1-CG2 3.42Å; F807-V814 HydrophobicContact CD2-CG2 4.42Å; F807-V814 HydrophobicContact CE1-CG2 3.45Å; F807-V814 VanDerWaalsContact CE1-CG2 3.45Å; F807-V814 HydrophobicContact CE2-CG2 4.46Å; F807-V814 HydrophobicContact CG-CG2 3.94Å; F807-V814 HydrophobicContact CZ-CG2 4Å; F807-V828 HydrophobicContact CD1-CG2 3.98Å; F807-V828 HydrophobicContact CE1-CG1 4.16Å; F807-V828 HydrophobicContact CE1-CG2 3.74Å; F807-W848 PolarHBondContact O-NE1 3.24Å |
| 808 | S | 88.6 | Confident | 92.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -66.4 | 155.2 | 164.2 | 52.3 | 0 | 0 | 0 | 0 | 109.4 | D810 S811 R812 H813 W848 | S808-D810 VanDerWaalsContact CB-OD1 3.27Å; S808-D810 WeakPolarHBondContact CB-OD1 3.15Å; S808-D810 PolarHBondContact O-N 3.06Å; S808-D810 VanDerWaalsContact O-N 3.1Å; S808-D810 PolarHBondContact OG-OD1 3.24Å; S808-S811 WeakPolarHBondContact O-CA 3.22Å; S808-S811 PolarHBondContact O-N 3.49Å; S808-R812 PolarHBondContact OG-N 3.28Å; S808-H813 PolarHBondContact N-O 3.31Å; S808-H813 PolarHBondContact OG-N 3.43Å; S808-H813 PolarHBondContact OG-O 2.75Å; S808-W848 VanDerWaalsContact CA-CZ2 3.47Å | ||
| 809 | P | 82.8 | Confident | 92.3 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 51% | 0.506 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.7 | 178 | -27.1 | 35.2 | 0 | 0 | 0 | 113.7 | S811 D849 | P809-S811 VanDerWaalsContact C-N 3.29Å; P809-S811 PolarHBondContact O-N 2.93Å; P809-D849 VanDerWaalsContact CD-C 3.5Å; P809-D849 WeakPolarHBondContact CD-O 3.12Å |
| 810 | D | 79.3 | Confident | 92.4 | Very high | 71 Ų | 71 | 24.9 Ų | 24.9 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.4 | 177.1 | 72.7 | -6.6 | 0 | 0 | 0 | 114.5 | S808 R812 | S808-D810 VanDerWaalsContact CB-OD1 3.27Å; S808-D810 WeakPolarHBondContact CB-OD1 3.15Å; S808-D810 PolarHBondContact O-N 3.06Å; S808-D810 VanDerWaalsContact O-N 3.1Å; S808-D810 PolarHBondContact OG-OD1 3.24Å; D810-R812 HydrophobicContact CB-CG 4.36Å; D810-R812 PolarHBondContact O-N 3.22Å; D810-R812 PolarHBondContact OD1-N 2.88Å; D810-R812 VanDerWaalsContact OD2-CD 3.24Å; D810-R812 WeakPolarHBondContact OD2-CD 3.29Å; D810-R812 WeakPolarHBondContact OD2-CG 3.09Å; D810-R812 IonicContact OD2-NE 4Å; D810-R812 PolarHBondContact OD2-NE 3.01Å |
| 811 | S | 85.9 | Confident | 92.4 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 60 | 13.2 | -177.1 | -47.8 | 0 | 0 | 0 | 0 | 116 | N766 S808 P809 | N766-S811 PolarHBondContact ND2-OG 3.44Å; S808-S811 WeakPolarHBondContact O-CA 3.22Å; S808-S811 PolarHBondContact O-N 3.49Å; P809-S811 VanDerWaalsContact C-N 3.29Å; P809-S811 PolarHBondContact O-N 2.93Å |
| 812 | R | 81.3 | Confident | 92.3 | Very high | 58 Ų | 58 | 27.4 Ų | 27.4 | 22% | 0.219 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -86.6 | -26.1 | -178.1 | -61.5 | -174 | -164.1 | -166.6 | 5.3 | 113.6 | R296 S808 D810 V828 | R296-R812 VanDerWaalsContact CG-CZ 3.47Å; R296-R812 VanDerWaalsContact CG-NH2 3.28Å; S808-R812 PolarHBondContact OG-N 3.28Å; D810-R812 HydrophobicContact CB-CG 4.36Å; D810-R812 PolarHBondContact O-N 3.22Å; D810-R812 PolarHBondContact OD1-N 2.88Å; D810-R812 VanDerWaalsContact OD2-CD 3.24Å; D810-R812 WeakPolarHBondContact OD2-CD 3.29Å; D810-R812 WeakPolarHBondContact OD2-CG 3.09Å; D810-R812 IonicContact OD2-NE 4Å; D810-R812 PolarHBondContact OD2-NE 3.01Å; R812-V828 WeakPolarHBondContact O-CB 3.43Å; R812-V828 VanDerWaalsContact O-CG2 3.31Å; R812-V828 WeakPolarHBondContact O-CG2 3.47Å; R812-V828 PolarHBondContact O-N 2.54Å |
| 813 | H | 90.7 | Very high | 92.1 | Very high | 47 Ų | 47 | 27.5 Ų | 27.5 | 22% | 0.218 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.3 | -171.8 | -53.4 | -46.5 | 0 | 0 | 0 | 110.3 | F807 S808 V825 M826 D827 I834 W848 | F807-H813 CarbonylContact C-O 3.21Å; F807-H813 WeakPolarHBondContact CA-O 3.22Å; S808-H813 PolarHBondContact N-O 3.31Å; S808-H813 PolarHBondContact OG-N 3.43Å; S808-H813 PolarHBondContact OG-O 2.75Å; H813-V825 HydrophobicContact CB-CG1 3.83Å; H813-M826 VanDerWaalsContact CA-O 3.28Å; H813-M826 WeakPolarHBondContact CA-O 3.35Å; H813-D827 IonicContact CE1-OD2 3.79Å; H813-D827 IonicContact ND1-OD2 3.62Å; H813-I834 WeakPolarHBondContact CE1-CD1 3.49Å; H813-I834 WeakPolarHBondContact ND1-CD1 3.41Å; H813-W848 HydrophobicContact CB-CH2 3.8Å; H813-W848 HydrophobicContact CB-CZ2 4.49Å |
| 814 | V | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.6 | 167.4 | 168.1 | 0 | 0 | 0 | 0 | 107.7 | A773 V781 I783 F807 V825 M826 V828 | A773-V814 HydrophobicContact CB-CG1 4.43Å; A773-V814 HydrophobicContact CB-CG2 4.2Å; V781-V814 HydrophobicContact CG1-CG1 4.28Å; I783-V814 HydrophobicContact CD1-CG2 3.89Å; F807-V814 HydrophobicContact CD1-CG2 3.42Å; F807-V814 VanDerWaalsContact CD1-CG2 3.42Å; F807-V814 HydrophobicContact CD2-CG2 4.42Å; F807-V814 HydrophobicContact CE1-CG2 3.45Å; F807-V814 VanDerWaalsContact CE1-CG2 3.45Å; F807-V814 HydrophobicContact CE2-CG2 4.46Å; F807-V814 HydrophobicContact CG-CG2 3.94Å; F807-V814 HydrophobicContact CZ-CG2 4Å; V814-V825 WeakPolarHBondContact O-CA 3.22Å; V814-M826 HydrophobicContact CB-CG 3.93Å; V814-M826 HydrophobicContact CG1-CG 4.49Å; V814-M826 PolarHBondContact N-O 2.94Å; V814-M826 PolarHBondContact O-N 3.08Å; V814-V828 HydrophobicContact CG2-CG2 3.73Å |
| 815 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.2 | 168.5 | 174.3 | 60.6 | 0 | 0 | 0 | 108.1 | S805 A806 M823 K824 V825 F846 W848 V853 L867 | S805-L815 VanDerWaalsContact CA-O 3.26Å; S805-L815 WeakPolarHBondContact CA-O 3.49Å; A806-L815 PolarHBondContact N-O 2.92Å; A806-L815 PolarHBondContact O-N 3.44Å; L815-M823 HydrophobicContact CD1-CB 4.2Å; L815-M823 HydrophobicContact CD1-CE 4.5Å; L815-M823 HydrophobicContact CD2-CE 4.28Å; L815-K824 CarbonylContact C-O 3.58Å; L815-K824 WeakPolarHBondContact CA-O 3.17Å; L815-V825 HydrophobicContact CD1-CG2 3.82Å; L815-F846 HydrophobicContact CB-CE2 4Å; L815-F846 HydrophobicContact CB-CZ 3.9Å; L815-F846 HydrophobicContact CD2-CD2 3.74Å; L815-F846 HydrophobicContact CD2-CE1 4.46Å; L815-F846 HydrophobicContact CD2-CE2 3.48Å; L815-F846 VanDerWaalsContact CD2-CE2 3.48Å; L815-F846 HydrophobicContact CD2-CG 4.36Å; L815-F846 HydrophobicContact CD2-CZ 3.88Å; L815-F846 HydrophobicContact CG-CD2 4.45Å; L815-F846 HydrophobicContact CG-CE1 4.22Å; L815-F846 HydrophobicContact CG-CE2 3.8Å; L815-F846 HydrophobicContact CG-CZ 3.67Å; L815-F846 WeakPolarHBondContact O-CZ 3.28Å; L815-W848 HydrophobicContact CB-CD2 3.85Å; L815-W848 HydrophobicContact CB-CE3 3.96Å; L815-W848 HydrophobicContact CB-CH2 3.62Å; L815-W848 HydrophobicContact CB-CZ2 3.49Å; L815-W848 VanDerWaalsContact CB-CZ2 3.49Å; L815-W848 HydrophobicContact CB-CZ3 3.86Å; L815-W848 HydrophobicContact CD2-CB 4.29Å; L815-W848 HydrophobicContact CD2-CD2 3.79Å; L815-W848 HydrophobicContact CD2-CE3 3.8Å; L815-W848 HydrophobicContact CD2-CG 4.04Å; L815-W848 HydrophobicContact CD2-CZ3 4.39Å; L815-W848 HydrophobicContact CG-CD2 4.49Å; L815-W848 HydrophobicContact CG-CE3 4.5Å; L815-V853 HydrophobicContact CD2-CB 4.37Å; L815-V853 HydrophobicContact CD2-CG1 3.92Å; L815-V853 HydrophobicContact CD2-CG2 3.46Å; L815-V853 VanDerWaalsContact CD2-CG2 3.46Å; L815-L867 HydrophobicContact CD2-CD1 4.49Å |
| 816 | S | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.8 | 173 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | H798 K824 | H798-S816 PolarHBondContact CD2-OG 3.34Å; H798-S816 WeakPolarHBondContact NE2-CB 3.38Å; H798-S816 PolarHBondContact NE2-O 3.36Å; H798-S816 PolarHBondContact NE2-OG 3.27Å; S816-K824 PolarHBondContact N-O 3.13Å; S816-K824 PolarHBondContact O-N 3.07Å; S816-K824 PolarHBondContact OG-O 2.77Å |
| 817 | V | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | H803 H804 M823 Q843 F846 | H803-V817 HydrophobicContact CB-CG2 4.39Å; H803-V817 PolarHBondContact N-O 2.88Å; H804-V817 HydrophobicContact CB-CG2 4Å; H804-V817 PolarHBondContact O-N 2.81Å; V817-M823 HydrophobicContact CG1-CB 4.32Å; V817-M823 HydrophobicContact CG1-CE 4.5Å; V817-M823 HydrophobicContact CG1-CG 3.82Å; V817-Q843 HydrophobicContact CB-CB 4.08Å; V817-Q843 HydrophobicContact CG1-CB 4.19Å; V817-Q843 HydrophobicContact CG2-CB 4.29Å; V817-Q843 WeakPolarHBondContact CG2-O 3.48Å; V817-F846 HydrophobicContact CG1-CD1 3.86Å; V817-F846 HydrophobicContact CG1-CE1 3.96Å; V817-F846 HydrophobicContact CG2-CD1 3.86Å; V817-F846 HydrophobicContact CG2-CE1 3.97Å |
| 818 | G | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T801 D820 C821 | T801-G818 CarbonylContact O-C 3.5Å; T801-G818 WeakPolarHBondContact O-CA 3.35Å; G818-D820 PolarHBondContact O-N 2.77Å; G818-D820 VanDerWaalsContact O-N 3.09Å; G818-C821 PolarHBondContact O-N 3.13Å; G818-C821 VanDerWaalsContact O-N 3.16Å |
| 819 | D | 93.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 32% | 0.321 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.8 | 179.3 | -78.8 | -30.5 | 0 | 0 | 0 | 113.1 | T801 H803 C821 | T801-D819 WeakPolarHBondContact CA-OD2 3.35Å; T801-D819 WeakPolarHBondContact CB-OD2 3.35Å; T801-D819 PolarHBondContact N-OD2 3.03Å; T801-D819 PolarHBondContact O-N 2.86Å; T801-D819 PolarHBondContact OG1-OD2 3.18Å; H803-D819 IonicContact CE1-OD1 3.35Å; H803-D819 PolarHBondContact CE1-OD1 2.88Å; H803-D819 IonicContact NE2-OD1 3.05Å; H803-D819 PolarHBondContact NE2-OD1 2.6Å; D819-C821 PolarHBondContact O-N 3.39Å |
| 820 | D | 93.4 | Very high | 90 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 2.6 | -179 | 67.7 | -5.7 | 0 | 0 | 0 | 113.9 | H798 A799 G818 Y822 K824 | H798-D820 WeakPolarHBondContact CA-OD2 3Å; H798-D820 IonicContact CE1-OD1 2.77Å; H798-D820 IonicContact CG-OD1 3.27Å; H798-D820 IonicContact CG-OD2 2.99Å; H798-D820 IonicContact ND1-OD1 3.46Å; H798-D820 PolarHBondContact ND1-OD1 3.18Å; H798-D820 IonicContact ND1-OD2 3.58Å; H798-D820 PolarHBondContact ND1-OD2 3Å; A799-D820 HydrophobicContact CB-CB 4.31Å; A799-D820 PolarHBondContact N-OD2 2.88Å; G818-D820 PolarHBondContact O-N 2.77Å; G818-D820 VanDerWaalsContact O-N 3.09Å; D820-Y822 HydrophobicContact CB-CD2 4.13Å; D820-Y822 WeakPolarHBondContact O-CD2 3.23Å; D820-Y822 PolarHBondContact O-N 2.94Å; D820-Y822 WeakPolarHBondContact OD1-CB 3.18Å; D820-Y822 PolarHBondContact OD1-N 2.91Å; D820-K824 IonicContact OD2-NZ 2.93Å; D820-K824 PolarHBondContact OD2-NZ 2.99Å |
| 821 | C | 93.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 28 Ų | 28 | 19% | 0.189 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 60.9 | 19.3 | -173.5 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | G818 D819 A839 E842 | G818-C821 PolarHBondContact O-N 3.13Å; G818-C821 VanDerWaalsContact O-N 3.16Å; D819-C821 PolarHBondContact O-N 3.39Å; C821-A839 WeakPolarHBondContact O-CB 3.46Å; C821-A839 PolarHBondContact O-N 3.11Å; C821-E842 PolarHBondContact SG-N 3.32Å; C821-E842 VanDerWaalsContact SG-N 3.39Å |
| 822 | Y | 92.6 | Very high | 89.7 | Confident | 76 Ų | 76 | 32.7 Ų | 32.7 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 146.3 | 173.7 | -76.4 | -94.7 | 0 | 0 | 0 | 111.8 | H798 D820 S836 V837 K838 | H798-Y822 PolarHBondContact CE1-O 3.13Å; H798-Y822 VanDerWaalsContact CE1-O 3.28Å; D820-Y822 HydrophobicContact CB-CD2 4.13Å; D820-Y822 WeakPolarHBondContact O-CD2 3.23Å; D820-Y822 PolarHBondContact O-N 2.94Å; D820-Y822 WeakPolarHBondContact OD1-CB 3.18Å; D820-Y822 PolarHBondContact OD1-N 2.91Å; Y822-S836 WeakPolarHBondContact CD1-OG 3.39Å; Y822-V837 CarbonylContact C-O 3.59Å; Y822-V837 VanDerWaalsContact CA-O 3.31Å; Y822-V837 WeakPolarHBondContact CA-O 3.39Å; Y822-V837 WeakPolarHBondContact CD1-O 3.16Å; Y822-K838 HydrophobicContact CD1-CB 4.07Å; Y822-K838 HydrophobicContact CE1-CB 3.64Å; Y822-K838 HydrophobicContact CE1-CG 4.19Å; Y822-K838 HydrophobicContact CE2-CD 4.32Å; Y822-K838 HydrophobicContact CE2-CG 4.18Å |
| 823 | M | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.6 | 163 | -59.6 | 178.9 | 62.1 | 0 | 0 | 107 | L815 V817 V837 Q843 V853 W865 L867 | L815-M823 HydrophobicContact CD1-CB 4.2Å; L815-M823 HydrophobicContact CD1-CE 4.5Å; L815-M823 HydrophobicContact CD2-CE 4.28Å; V817-M823 HydrophobicContact CG1-CB 4.32Å; V817-M823 HydrophobicContact CG1-CE 4.5Å; V817-M823 HydrophobicContact CG1-CG 3.82Å; M823-V837 HydrophobicContact CB-CB 4.46Å; M823-V837 PolarHBondContact N-O 3.16Å; M823-V837 PolarHBondContact O-N 3.39Å; M823-Q843 HydrophobicContact CG-CG 4.3Å; M823-Q843 HydrophobicContact SD-CG 4.2Å; M823-V853 HydrophobicContact CE-CB 3.91Å; M823-V853 HydrophobicContact CE-CG1 3.63Å; M823-V853 HydrophobicContact CE-CG2 4.01Å; M823-W865 HydrophobicContact SD-CD2 4.29Å; M823-W865 HydrophobicContact SD-CG 4.34Å; M823-L867 HydrophobicContact CE-CD2 4.37Å |
| 824 | K | 93.9 | Very high | 89.7 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.8 | -169.4 | -87.7 | 176.7 | -176.2 | 162.5 | 0 | 109.6 | C797 L815 S816 D820 M833 S835 S836 | C797-K824 WeakPolarHBondContact O-CD 3.48Å; C797-K824 VanDerWaalsContact O-CE 3.29Å; C797-K824 WeakPolarHBondContact O-CE 3.38Å; C797-K824 PolarHBondContact O-NZ 3.02Å; L815-K824 CarbonylContact C-O 3.58Å; L815-K824 WeakPolarHBondContact CA-O 3.17Å; S816-K824 PolarHBondContact N-O 3.13Å; S816-K824 PolarHBondContact O-N 3.07Å; S816-K824 PolarHBondContact OG-O 2.77Å; D820-K824 IonicContact OD2-NZ 2.93Å; D820-K824 PolarHBondContact OD2-NZ 2.99Å; K824-M833 HydrophobicContact CB-CE 3.48Å; K824-M833 VanDerWaalsContact CB-CE 3.48Å; K824-M833 HydrophobicContact CD-CE 4.17Å; K824-M833 HydrophobicContact CG-CE 3.8Å; K824-S835 WeakPolarHBondContact CA-O 3.28Å; K824-S836 WeakPolarHBondContact CE-OG 3.36Å; K824-S836 WeakPolarHBondContact CG-OG 3.31Å |
| 825 | V | 93.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | H813 V814 L815 M833 I834 S835 W848 L867 | H813-V825 HydrophobicContact CB-CG1 3.83Å; V814-V825 WeakPolarHBondContact O-CA 3.22Å; L815-V825 HydrophobicContact CD1-CG2 3.82Å; V825-M833 WeakPolarHBondContact O-CE 3.44Å; V825-I834 HydrophobicContact CG1-CB 4.4Å; V825-I834 HydrophobicContact CG1-CD1 4.38Å; V825-I834 PolarHBondContact O-N 3.31Å; V825-S835 PolarHBondContact N-O 3.19Å; V825-S835 PolarHBondContact O-N 2.96Å; V825-S835 VanDerWaalsContact O-N 3.16Å; V825-W848 HydrophobicContact CG1-CH2 4.2Å; V825-W848 HydrophobicContact CG1-CZ3 4.41Å; V825-W848 HydrophobicContact CG2-CZ3 4.29Å; V825-L867 HydrophobicContact CG2-CD1 4Å |
| 826 | M | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 148.1 | 174.5 | 65.1 | 172.3 | -73.4 | 0 | 0 | 111.2 | V781 I783 V795 H813 V814 M832 M833 | V781-M826 HydrophobicContact CB-SD 3.96Å; V781-M826 HydrophobicContact CG1-SD 3.69Å; I783-M826 HydrophobicContact CG1-CE 4.13Å; V795-M826 HydrophobicContact CB-CE 4.29Å; V795-M826 HydrophobicContact CG2-CE 3.81Å; H813-M826 VanDerWaalsContact CA-O 3.28Å; H813-M826 WeakPolarHBondContact CA-O 3.35Å; V814-M826 HydrophobicContact CB-CG 3.93Å; V814-M826 HydrophobicContact CG1-CG 4.49Å; V814-M826 PolarHBondContact N-O 2.94Å; V814-M826 PolarHBondContact O-N 3.08Å; M826-M832 CarbonylContact C-O 3.41Å; M826-M832 WeakPolarHBondContact CA-O 3.25Å; M826-M833 HydrophobicContact CB-CE 4.3Å; M826-M833 HydrophobicContact CB-SD 3.83Å |
| 827 | D | 86.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129 | 169 | -173.9 | -101.9 | 0 | 0 | 0 | 110.4 | H813 Q829 T830 G831 M832 I834 | H813-D827 IonicContact CE1-OD2 3.79Å; H813-D827 IonicContact ND1-OD2 3.62Å; D827-Q829 PolarHBondContact O-N 3.41Å; D827-Q829 PolarHBondContact OD1-N 3.3Å; D827-Q829 VanDerWaalsContact OD1-N 3.11Å; D827-T830 VanDerWaalsContact CB-OG1 3.27Å; D827-T830 WeakPolarHBondContact CB-OG1 3.28Å; D827-T830 VanDerWaalsContact CG-OG1 3.32Å; D827-T830 WeakPolarHBondContact OD1-CB 3.31Å; D827-T830 WeakPolarHBondContact OD1-CG2 3.41Å; D827-T830 PolarHBondContact OD1-N 3.04Å; D827-T830 PolarHBondContact OD1-OG1 2.79Å; D827-G831 VanDerWaalsContact O-CA 3.29Å; D827-G831 WeakPolarHBondContact O-CA 3.5Å; D827-G831 PolarHBondContact O-N 3.11Å; D827-M832 PolarHBondContact N-O 3.36Å; D827-I834 HydrophobicContact CB-CD1 3.82Å; D827-I834 HydrophobicContact CB-CG1 4.06Å |
| 828 | V | 82.7 | Confident | 88.2 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -33.9 | -175.5 | 171.7 | 0 | 0 | 0 | 0 | 112 | L771 I783 Q793 F807 R812 V814 | L771-V828 HydrophobicContact CD1-CG1 3.71Å; I783-V828 HydrophobicContact CG2-CG1 4.05Å; Q793-V828 WeakPolarHBondContact CG-O 3.02Å; F807-V828 HydrophobicContact CD1-CG2 3.98Å; F807-V828 HydrophobicContact CE1-CG1 4.16Å; F807-V828 HydrophobicContact CE1-CG2 3.74Å; R812-V828 WeakPolarHBondContact O-CB 3.43Å; R812-V828 VanDerWaalsContact O-CG2 3.31Å; R812-V828 WeakPolarHBondContact O-CG2 3.47Å; R812-V828 PolarHBondContact O-N 2.54Å; V814-V828 HydrophobicContact CG2-CG2 3.73Å |
| 829 | Q | 80.3 | Confident | 87.9 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -45.1 | -175.5 | -67.8 | -172.8 | -24.3 | 0 | 0 | 112.1 | Q793 D827 | Q793-Q829 PolarHBondContact NE2-O 2.52Å; D827-Q829 PolarHBondContact O-N 3.41Å; D827-Q829 PolarHBondContact OD1-N 3.3Å; D827-Q829 VanDerWaalsContact OD1-N 3.11Å |
| 830 | T | 76.7 | Confident | 87.6 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -15.5 | -172.1 | 61 | 0 | 0 | 0 | 0 | 113.4 | D827 M832 | D827-T830 VanDerWaalsContact CB-OG1 3.27Å; D827-T830 WeakPolarHBondContact CB-OG1 3.28Å; D827-T830 VanDerWaalsContact CG-OG1 3.32Å; D827-T830 WeakPolarHBondContact OD1-CB 3.31Å; D827-T830 WeakPolarHBondContact OD1-CG2 3.41Å; D827-T830 PolarHBondContact OD1-N 3.04Å; D827-T830 PolarHBondContact OD1-OG1 2.79Å; T830-M832 HydrophobicContact CG2-CE 3.82Å; T830-M832 PolarHBondContact O-N 2.99Å; T830-M832 WeakPolarHBondContact OG1-CE 3.15Å; T830-M832 PolarHBondContact OG1-N 3.17Å |
| 831 | G | 79 | Confident | 87.5 | Confident | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | trans | 69.5 | 6.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D827 | D827-G831 VanDerWaalsContact O-CA 3.29Å; D827-G831 WeakPolarHBondContact O-CA 3.5Å; D827-G831 PolarHBondContact O-N 3.11Å | ||
| 832 | M | 80.8 | Confident | 87.5 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | trans | -77.2 | 139.2 | -177.2 | -71.7 | -166.5 | -81.8 | 0 | 0 | 111.7 | M826 D827 T830 I834 | M826-M832 CarbonylContact C-O 3.41Å; M826-M832 WeakPolarHBondContact CA-O 3.25Å; D827-M832 PolarHBondContact N-O 3.36Å; T830-M832 HydrophobicContact CG2-CE 3.82Å; T830-M832 PolarHBondContact O-N 2.99Å; T830-M832 WeakPolarHBondContact OG1-CE 3.15Å; T830-M832 PolarHBondContact OG1-N 3.17Å; M832-I834 PolarHBondContact O-N 3.48Å | ||
| 833 | M | 87.6 | Confident | 87.5 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 39% | 0.389 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 113.3 | 171.6 | -67.3 | -51.9 | -46.8 | 0 | 0 | 110.3 | V795 K824 V825 M826 | V795-M833 HydrophobicContact CG1-SD 4.48Å; K824-M833 HydrophobicContact CB-CE 3.48Å; K824-M833 VanDerWaalsContact CB-CE 3.48Å; K824-M833 HydrophobicContact CD-CE 4.17Å; K824-M833 HydrophobicContact CG-CE 3.8Å; V825-M833 WeakPolarHBondContact O-CE 3.44Å; M826-M833 HydrophobicContact CB-CE 4.3Å; M826-M833 HydrophobicContact CB-SD 3.83Å |
| 834 | I | 84.1 | Confident | 87.5 | Confident | 93 Ų | 93 | 52 Ų | 52 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -46.4 | 179.9 | -57.9 | 174.3 | 0 | 0 | 0 | 110.6 | H813 V825 D827 M832 | H813-I834 WeakPolarHBondContact CE1-CD1 3.49Å; H813-I834 WeakPolarHBondContact ND1-CD1 3.41Å; V825-I834 HydrophobicContact CG1-CB 4.4Å; V825-I834 HydrophobicContact CG1-CD1 4.38Å; V825-I834 PolarHBondContact O-N 3.31Å; D827-I834 HydrophobicContact CB-CD1 3.82Å; D827-I834 HydrophobicContact CB-CG1 4.06Å; M832-I834 PolarHBondContact O-N 3.48Å |
| 835 | S | 83.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.5 | -178.2 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | K824 V825 | K824-S835 WeakPolarHBondContact CA-O 3.28Å; V825-S835 PolarHBondContact N-O 3.19Å; V825-S835 PolarHBondContact O-N 2.96Å; V825-S835 VanDerWaalsContact O-N 3.16Å |
| 836 | S | 90.3 | Very high | 87.6 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 108.9 | 173.3 | -172 | 0 | 0 | 0 | 0 | 109 | Y822 K824 | Y822-S836 WeakPolarHBondContact CD1-OG 3.39Å; K824-S836 WeakPolarHBondContact CE-OG 3.36Å; K824-S836 WeakPolarHBondContact CG-OG 3.31Å |
| 837 | V | 89.4 | Confident | 87.8 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.4 | -175.3 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | Y822 M823 W865 N870 | Y822-V837 CarbonylContact C-O 3.59Å; Y822-V837 VanDerWaalsContact CA-O 3.31Å; Y822-V837 WeakPolarHBondContact CA-O 3.39Å; Y822-V837 WeakPolarHBondContact CD1-O 3.16Å; M823-V837 HydrophobicContact CB-CB 4.46Å; M823-V837 PolarHBondContact N-O 3.16Å; M823-V837 PolarHBondContact O-N 3.39Å; V837-W865 HydrophobicContact CG1-CE3 4.13Å; V837-W865 HydrophobicContact CG1-CH2 4.17Å; V837-W865 HydrophobicContact CG1-CZ3 3.54Å; V837-N870 HydrophobicContact CG1-CB 4.32Å; V837-N870 HydrophobicContact CG2-CB 4.24Å; V837-N870 WeakPolarHBondContact CG2-OD1 3.29Å |
| 838 | K | 90.8 | Very high | 88.1 | Confident | 139 Ų | 139 | 51.2 Ų | 51.2 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.7 | 174.2 | -169.3 | 176.5 | -177 | 173.6 | 0 | 109.4 | Y822 | Y822-K838 HydrophobicContact CD1-CB 4.07Å; Y822-K838 HydrophobicContact CE1-CB 3.64Å; Y822-K838 HydrophobicContact CE1-CG 4.19Å; Y822-K838 HydrophobicContact CE2-CD 4.32Å; Y822-K838 HydrophobicContact CE2-CG 4.18Å |
| 839 | A | 88.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -80.7 | 157.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | C821 E841 Q843 W865 | C821-A839 WeakPolarHBondContact O-CB 3.46Å; C821-A839 PolarHBondContact O-N 3.11Å; A839-E841 WeakPolarHBondContact CB-O 3.41Å; A839-E841 PolarHBondContact O-N 3.14Å; A839-Q843 HydrophobicContact CB-CG 4.15Å; A839-W865 HydrophobicContact CB-CH2 4.45Å; A839-W865 HydrophobicContact CB-CZ2 3.97Å | ||
| 840 | E | 87.2 | Confident | 88.4 | Confident | 158 Ų | 158 | 49.4 Ų | 49.4 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -65.3 | -24 | 175.1 | -66.3 | -176.8 | 169.4 | 0 | 0 | 112.5 | R875 | E840-R875 IonicContact OE2-CZ 3.79Å; E840-R875 IonicContact OE2-NH2 2.88Å; E840-R875 PolarHBondContact OE2-NH2 3.14Å |
| 841 | E | 91.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -149.3 | 165.6 | -177.9 | 65.6 | 177 | -179.9 | 0 | 0 | 111.9 | A839 Q843 S859 | A839-E841 WeakPolarHBondContact CB-O 3.41Å; A839-E841 PolarHBondContact O-N 3.14Å; E841-Q843 PolarHBondContact O-N 2.85Å; E841-Q843 PolarHBondContact O-NE2 3.26Å; E841-S859 VanDerWaalsContact CD-OG 3.26Å; E841-S859 VanDerWaalsContact OE1-CB 3.31Å; E841-S859 WeakPolarHBondContact OE1-CB 3.18Å; E841-S859 PolarHBondContact OE1-N 2.93Å; E841-S859 PolarHBondContact OE1-OG 2.87Å; E841-S859 WeakPolarHBondContact OE2-CA 3.4Å; E841-S859 WeakPolarHBondContact OE2-CB 3.45Å; E841-S859 PolarHBondContact OE2-N 2.8Å; E841-S859 PolarHBondContact OE2-OG 2.92Å |
| 842 | E | 92.3 | Very high | 89.4 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | trans | -57.1 | 125.4 | 173.9 | -64.3 | 162.6 | -137.7 | 0 | 0 | 110.8 | C821 R844 G857 R858 | C821-E842 PolarHBondContact SG-N 3.32Å; C821-E842 VanDerWaalsContact SG-N 3.39Å; E842-R844 IonicContact OE2-CZ 2.89Å; E842-R844 IonicContact OE2-NE 3.32Å; E842-R844 IonicContact OE2-NH2 2.8Å; E842-R844 PolarHBondContact OE2-NH2 3.04Å; E842-G857 WeakPolarHBondContact O-CA 3.29Å; E842-R858 PolarHBondContact O-N 3.35Å; E842-R858 VanDerWaalsContact O-N 3.08Å; E842-R858 IonicContact OE1-NH1 3.43Å; E842-R858 PolarHBondContact OE1-NH1 3.02Å; E842-R858 IonicContact OE2-NH1 2.54Å | ||
| 843 | Q | 93.8 | Very high | 90 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.5 | 171.2 | -55.4 | -51.8 | -54 | 0 | 0 | 109.2 | H803 V817 M823 A839 E841 C855 | H803-Q843 PolarHBondContact CD2-O 3.35Å; V817-Q843 HydrophobicContact CB-CB 4.08Å; V817-Q843 HydrophobicContact CG1-CB 4.19Å; V817-Q843 HydrophobicContact CG2-CB 4.29Å; V817-Q843 WeakPolarHBondContact CG2-O 3.48Å; M823-Q843 HydrophobicContact CG-CG 4.3Å; M823-Q843 HydrophobicContact SD-CG 4.2Å; A839-Q843 HydrophobicContact CB-CG 4.15Å; E841-Q843 PolarHBondContact O-N 2.85Å; E841-Q843 PolarHBondContact O-NE2 3.26Å; Q843-C855 HydrophobicContact CB-CB 4.43Å; Q843-C855 HydrophobicContact CG-CB 4.38Å; Q843-C855 PolarHBondContact OE1-SG 2.71Å |
| 844 | R | 93.7 | Very high | 90.4 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -38.1 | -171.4 | -69.6 | -65.2 | 177.5 | 127.6 | -9.1 | 113.2 | H803 E842 G856 V883 | H803-R844 PolarHBondContact NE2-NE 3.39Å; E842-R844 IonicContact OE2-CZ 2.89Å; E842-R844 IonicContact OE2-NE 3.32Å; E842-R844 IonicContact OE2-NH2 2.8Å; E842-R844 PolarHBondContact OE2-NH2 3.04Å; R844-G856 PolarHBondContact N-O 3.41Å; R844-V883 WeakPolarHBondContact CB-O 3.29Å |
| 845 | C | 94.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.7 | 176.5 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | C855 G856 V883 M886 | C845-C855 WeakPolarHBondContact O-CA 3.33Å; C845-G856 PolarHBondContact N-O 2.64Å; C845-G856 PolarHBondContact O-N 3.17Å; C845-V883 PolarHBondContact SG-O 2.57Å; C845-M886 HydrophobicContact CB-CB 4.39Å |
| 846 | F | 95.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 162.4 | 178.5 | 67.6 | -91.3 | 0 | 0 | 0 | 112.4 | H804 A806 L815 V817 W848 V853 L854 C855 | H804-F846 HydrophobicContact CB-CD1 4.24Å; H804-F846 HydrophobicContact CB-CE1 4.03Å; H804-F846 PolarHBondContact CE1-O 3.24Å; H804-F846 VanDerWaalsContact CE1-O 3.28Å; H804-F846 AromaticContact CG-CE1 3.95Å; H804-F846 AromaticContact ND1-CD1 3.41Å; H804-F846 WeakPolarHBondContact ND1-CD1 3.49Å; H804-F846 AromaticContact ND1-CE1 3.46Å; H804-F846 WeakPolarHBondContact ND1-CE1 3.23Å; H804-F846 AromaticContact ND1-CG 3.96Å; H804-F846 PolarHBondContact ND1-N 3.23Å; A806-F846 HydrophobicContact CB-CE2 3.8Å; A806-F846 HydrophobicContact CB-CZ 3.85Å; L815-F846 HydrophobicContact CB-CE2 4Å; L815-F846 HydrophobicContact CB-CZ 3.9Å; L815-F846 HydrophobicContact CD2-CD2 3.74Å; L815-F846 HydrophobicContact CD2-CE1 4.46Å; L815-F846 HydrophobicContact CD2-CE2 3.48Å; L815-F846 VanDerWaalsContact CD2-CE2 3.48Å; L815-F846 HydrophobicContact CD2-CG 4.36Å; L815-F846 HydrophobicContact CD2-CZ 3.88Å; L815-F846 HydrophobicContact CG-CD2 4.45Å; L815-F846 HydrophobicContact CG-CE1 4.22Å; L815-F846 HydrophobicContact CG-CE2 3.8Å; L815-F846 HydrophobicContact CG-CZ 3.67Å; L815-F846 WeakPolarHBondContact O-CZ 3.28Å; V817-F846 HydrophobicContact CG1-CD1 3.86Å; V817-F846 HydrophobicContact CG1-CE1 3.96Å; V817-F846 HydrophobicContact CG2-CD1 3.86Å; V817-F846 HydrophobicContact CG2-CE1 3.97Å; F846-W848 HydrophobicContact CD2-CB 4.25Å; F846-W848 HydrophobicContact CD2-CG 4.25Å; F846-W848 HydrophobicContact CE2-CB 4.47Å; F846-W848 AromaticContact CE2-CD1 3.67Å; F846-W848 AromaticContact CE2-CG 4Å; F846-W848 HydrophobicContact CE2-CG 4Å; F846-V853 HydrophobicContact CB-CG1 3.73Å; F846-V853 HydrophobicContact CD2-CG1 4Å; F846-V853 HydrophobicContact CG-CG1 4.08Å; F846-L854 CarbonylContact C-O 3.58Å; F846-L854 WeakPolarHBondContact CA-O 3.21Å; F846-L854 WeakPolarHBondContact CB-O 3.41Å; F846-C855 HydrophobicContact CB-CB 3.74Å |
| 847 | C | 93.9 | Very high | 91.4 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 151.7 | 159.5 | -62.5 | 0 | 0 | 0 | 0 | 108.2 | W608 V853 L854 M886 M888 | W608-C847 HydrophobicContact CH2-CB 4.37Å; W608-C847 WeakPolarHBondContact CH2-O 3.48Å; W608-C847 HydrophobicContact CZ2-CB 4.46Å; C847-V853 WeakPolarHBondContact O-CA 3.26Å; C847-L854 PolarHBondContact N-O 3.17Å; C847-L854 PolarHBondContact O-N 2.79Å; C847-M886 HydrophobicContact CB-SD 4.37Å; C847-M888 HydrophobicContact CB-CB 4.41Å; C847-M888 HydrophobicContact CB-CE 3.93Å; C847-M888 HydrophobicContact CB-SD 4.24Å |
| 848 | W | 93.6 | Very high | 91.5 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.3 | -178.8 | 76.1 | -41.6 | 0 | 0 | 0 | 112.8 | A806 F807 S808 H813 L815 V825 F846 S852 V853 L867 | A806-W848 WeakPolarHBondContact O-CZ2 3.33Å; A806-W848 PolarHBondContact O-NE1 3.47Å; F807-W848 PolarHBondContact O-NE1 3.24Å; S808-W848 VanDerWaalsContact CA-CZ2 3.47Å; H813-W848 HydrophobicContact CB-CH2 3.8Å; H813-W848 HydrophobicContact CB-CZ2 4.49Å; L815-W848 HydrophobicContact CB-CD2 3.85Å; L815-W848 HydrophobicContact CB-CE3 3.96Å; L815-W848 HydrophobicContact CB-CH2 3.62Å; L815-W848 HydrophobicContact CB-CZ2 3.49Å; L815-W848 VanDerWaalsContact CB-CZ2 3.49Å; L815-W848 HydrophobicContact CB-CZ3 3.86Å; L815-W848 HydrophobicContact CD2-CB 4.29Å; L815-W848 HydrophobicContact CD2-CD2 3.79Å; L815-W848 HydrophobicContact CD2-CE3 3.8Å; L815-W848 HydrophobicContact CD2-CG 4.04Å; L815-W848 HydrophobicContact CD2-CZ3 4.39Å; L815-W848 HydrophobicContact CG-CD2 4.49Å; L815-W848 HydrophobicContact CG-CE3 4.5Å; V825-W848 HydrophobicContact CG1-CH2 4.2Å; V825-W848 HydrophobicContact CG1-CZ3 4.41Å; V825-W848 HydrophobicContact CG2-CZ3 4.29Å; F846-W848 HydrophobicContact CD2-CB 4.25Å; F846-W848 HydrophobicContact CD2-CG 4.25Å; F846-W848 HydrophobicContact CE2-CB 4.47Å; F846-W848 AromaticContact CE2-CD1 3.67Å; F846-W848 AromaticContact CE2-CG 4Å; F846-W848 HydrophobicContact CE2-CG 4Å; W848-S852 VanDerWaalsContact CA-O 3.26Å; W848-S852 WeakPolarHBondContact CA-O 3.43Å; W848-S852 VanDerWaalsContact CB-O 3.32Å; W848-S852 WeakPolarHBondContact CB-O 3.38Å; W848-V853 HydrophobicContact CB-CB 4.23Å; W848-V853 HydrophobicContact CB-CG1 4.24Å; W848-V853 HydrophobicContact CB-CG2 3.76Å; W848-V853 HydrophobicContact CE3-CG2 4.32Å; W848-L867 HydrophobicContact CE3-CD1 3.67Å; W848-L867 HydrophobicContact CZ3-CD1 3.79Å |
| 849 | D | 86.4 | Confident | 91.5 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 24% | 0.235 | 17% | 0.167 | C | C | . | . | trans | -108.1 | 5.4 | 177.3 | 74.5 | -8.7 | 0 | 0 | 0 | 113.9 | W608 P809 S851 S852 | W608-D849 HydrophobicContact CD2-CB 3.98Å; W608-D849 HydrophobicContact CG-CB 3.98Å; W608-D849 HydrophobicContact CZ2-CB 4.35Å; P809-D849 VanDerWaalsContact CD-C 3.5Å; P809-D849 WeakPolarHBondContact CD-O 3.12Å; D849-S851 WeakPolarHBondContact OD1-CA 3.29Å; D849-S851 PolarHBondContact OD1-N 2.61Å; D849-S851 PolarHBondContact OD1-OG 2.84Å; D849-S851 PolarHBondContact OD2-OG 2.6Å; D849-S852 PolarHBondContact N-O 3.11Å; D849-S852 PolarHBondContact OD1-N 2.84Å | ||
| 850 | G | 83.9 | Confident | 91.6 | Very high | 31 Ų | 31 | 32.2 Ų | 32.2 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 97.8 | -20 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 851 | S | 85.2 | Confident | 91.9 | Very high | 41 Ų | 41 | 26 Ų | 26 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -118.4 | -42.4 | 178.9 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | D849 L867 | D849-S851 WeakPolarHBondContact OD1-CA 3.29Å; D849-S851 PolarHBondContact OD1-N 2.61Å; D849-S851 PolarHBondContact OD1-OG 2.84Å; D849-S851 PolarHBondContact OD2-OG 2.6Å; S851-L867 WeakPolarHBondContact O-CB 3.36Å; S851-L867 PolarHBondContact O-N 3.41Å |
| 852 | S | 89.9 | Confident | 92 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.2 | -178.2 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | W848 D849 W865 | W848-S852 VanDerWaalsContact CA-O 3.26Å; W848-S852 WeakPolarHBondContact CA-O 3.43Å; W848-S852 VanDerWaalsContact CB-O 3.32Å; W848-S852 WeakPolarHBondContact CB-O 3.38Å; D849-S852 PolarHBondContact N-O 3.11Å; D849-S852 PolarHBondContact OD1-N 2.84Å; S852-W865 CarbonylContact C-O 3.59Å; S852-W865 VanDerWaalsContact CA-O 3.22Å; S852-W865 WeakPolarHBondContact CA-O 3.41Å |
| 853 | V | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | L815 M823 F846 C847 W848 C855 L864 W865 L867 | L815-V853 HydrophobicContact CD2-CB 4.37Å; L815-V853 HydrophobicContact CD2-CG1 3.92Å; L815-V853 HydrophobicContact CD2-CG2 3.46Å; L815-V853 VanDerWaalsContact CD2-CG2 3.46Å; M823-V853 HydrophobicContact CE-CB 3.91Å; M823-V853 HydrophobicContact CE-CG1 3.63Å; M823-V853 HydrophobicContact CE-CG2 4.01Å; F846-V853 HydrophobicContact CB-CG1 3.73Å; F846-V853 HydrophobicContact CD2-CG1 4Å; F846-V853 HydrophobicContact CG-CG1 4.08Å; C847-V853 WeakPolarHBondContact O-CA 3.26Å; W848-V853 HydrophobicContact CB-CB 4.23Å; W848-V853 HydrophobicContact CB-CG1 4.24Å; W848-V853 HydrophobicContact CB-CG2 3.76Å; W848-V853 HydrophobicContact CE3-CG2 4.32Å; V853-C855 HydrophobicContact CG1-CB 4.09Å; V853-L864 CarbonylContact O-C 3.47Å; V853-L864 WeakPolarHBondContact O-CA 3.42Å; V853-W865 HydrophobicContact CB-CB 4.3Å; V853-W865 PolarHBondContact N-O 2.95Å; V853-W865 PolarHBondContact O-N 3.44Å; V853-L867 HydrophobicContact CG2-CD1 3.44Å; V853-L867 VanDerWaalsContact CG2-CD1 3.44Å; V853-L867 HydrophobicContact CG2-CD2 3.87Å; V853-L867 HydrophobicContact CG2-CG 3.61Å |
| 854 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 106.4 | 165 | -177.2 | 67.2 | 0 | 0 | 0 | 107.8 | W608 M611 L614 F846 C847 L862 L863 M886 V895 | W608-L854 HydrophobicContact CH2-CB 4.11Å; W608-L854 HydrophobicContact CZ3-CB 4.11Å; M611-L854 HydrophobicContact CG-CD2 4.43Å; M611-L854 HydrophobicContact SD-CD2 4.18Å; L614-L854 HydrophobicContact CD2-CD2 4.23Å; F846-L854 CarbonylContact C-O 3.58Å; F846-L854 WeakPolarHBondContact CA-O 3.21Å; F846-L854 WeakPolarHBondContact CB-O 3.41Å; C847-L854 PolarHBondContact N-O 3.17Å; C847-L854 PolarHBondContact O-N 2.79Å; L854-L862 HydrophobicContact CD1-CB 4.15Å; L854-L863 WeakPolarHBondContact CA-O 3.36Å; L854-M886 HydrophobicContact CD2-SD 4.17Å; L854-M886 HydrophobicContact CG-SD 4.24Å; L854-M886 WeakPolarHBondContact O-CE 3.48Å; L854-V895 HydrophobicContact CD2-CG1 4.21Å; L854-V895 HydrophobicContact CD2-CG2 4.03Å |
| 855 | C | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 148.1 | -178.1 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | Q843 C845 F846 V853 L862 L863 W865 | Q843-C855 HydrophobicContact CB-CB 4.43Å; Q843-C855 HydrophobicContact CG-CB 4.38Å; Q843-C855 PolarHBondContact OE1-SG 2.71Å; C845-C855 WeakPolarHBondContact O-CA 3.33Å; F846-C855 HydrophobicContact CB-CB 3.74Å; V853-C855 HydrophobicContact CG1-CB 4.09Å; C855-L862 WeakPolarHBondContact O-CA 3.41Å; C855-L863 PolarHBondContact N-O 2.99Å; C855-L863 PolarHBondContact O-N 3.03Å; C855-W865 PolarHBondContact SG-NE1 2.87Å; C855-W865 VanDerWaalsContact SG-NE1 3.44Å |
| 856 | G | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R844 C845 | R844-G856 PolarHBondContact N-O 3.41Å; C845-G856 PolarHBondContact N-O 2.64Å; C845-G856 PolarHBondContact O-N 3.17Å |
| 857 | G | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E842 S859 G860 N861 A882 V883 | E842-G857 WeakPolarHBondContact O-CA 3.29Å; G857-S859 VanDerWaalsContact C-N 3.31Å; G857-S859 PolarHBondContact O-N 2.92Å; G857-G860 PolarHBondContact O-N 2.87Å; G857-N861 PolarHBondContact N-O 3.15Å; G857-A882 WeakPolarHBondContact O-CA 3.39Å; G857-V883 PolarHBondContact O-N 2.91Å; G857-V883 VanDerWaalsContact O-N 3.17Å |
| 858 | R | 92.5 | Very high | 90 | Very high | 145 Ų | 145 | 28.1 Ų | 28.1 | 55% | 0.547 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.4 | -179.6 | -169.2 | 170.6 | 179.3 | 167.8 | -0.7 | 114.1 | E842 G860 | E842-R858 PolarHBondContact O-N 3.35Å; E842-R858 VanDerWaalsContact O-N 3.08Å; E842-R858 IonicContact OE1-NH1 3.43Å; E842-R858 PolarHBondContact OE1-NH1 3.02Å; E842-R858 IonicContact OE2-NH1 2.54Å; R858-G860 PolarHBondContact O-N 2.91Å |
| 859 | S | 90.6 | Very high | 89.2 | Confident | 46 Ų | 46 | 29.9 Ų | 29.9 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.5 | 177.9 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | E841 G857 N861 | E841-S859 VanDerWaalsContact CD-OG 3.26Å; E841-S859 VanDerWaalsContact OE1-CB 3.31Å; E841-S859 WeakPolarHBondContact OE1-CB 3.18Å; E841-S859 PolarHBondContact OE1-N 2.93Å; E841-S859 PolarHBondContact OE1-OG 2.87Å; E841-S859 WeakPolarHBondContact OE2-CA 3.4Å; E841-S859 WeakPolarHBondContact OE2-CB 3.45Å; E841-S859 PolarHBondContact OE2-N 2.8Å; E841-S859 PolarHBondContact OE2-OG 2.92Å; G857-S859 VanDerWaalsContact C-N 3.31Å; G857-S859 PolarHBondContact O-N 2.92Å; S859-N861 VanDerWaalsContact C-N 3.27Å; S859-N861 PolarHBondContact OG-N 3.28Å; S859-N861 PolarHBondContact OG-ND2 2.87Å |
| 860 | G | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 80.9 | 2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | G857 R858 A878 H879 G881 | G857-G860 PolarHBondContact O-N 2.87Å; R858-G860 PolarHBondContact O-N 2.91Å; G860-A878 WeakPolarHBondContact O-CB 3.34Å; G860-A878 PolarHBondContact O-N 2.8Å; G860-H879 WeakPolarHBondContact CA-O 3.01Å; G860-H879 PolarHBondContact O-N 3.04Å; G860-G881 WeakPolarHBondContact CA-O 3.27Å |
| 861 | N | 92.9 | Very high | 88.9 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 148.9 | 170.8 | -62.1 | -62.9 | 0 | 0 | 0 | 111.2 | G857 S859 L863 R875 P877 | G857-N861 PolarHBondContact N-O 3.15Å; S859-N861 VanDerWaalsContact C-N 3.27Å; S859-N861 PolarHBondContact OG-N 3.28Å; S859-N861 PolarHBondContact OG-ND2 2.87Å; N861-L863 HydrophobicContact CB-CD2 4.45Å; N861-R875 HydrophobicContact CB-CG 3.99Å; N861-P877 WeakPolarHBondContact OD1-CA 3.45Å |
| 862 | L | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.8 | 161.6 | -57.1 | 173.4 | 0 | 0 | 0 | 108.5 | L614 L854 C855 I876 A878 V883 M886 T897 W907 | L614-L862 HydrophobicContact CD2-CD1 4.38Å; L854-L862 HydrophobicContact CD1-CB 4.15Å; C855-L862 WeakPolarHBondContact O-CA 3.41Å; L862-I876 HydrophobicContact CB-CB 4.29Å; L862-I876 PolarHBondContact N-O 2.8Å; L862-I876 PolarHBondContact O-N 2.87Å; L862-A878 HydrophobicContact CD1-CB 4.01Å; L862-A878 HydrophobicContact CG-CB 3.74Å; L862-V883 HydrophobicContact CD2-CG1 4.18Å; L862-V883 HydrophobicContact CD2-CG2 4.16Å; L862-M886 HydrophobicContact CD2-CE 4.33Å; L862-T897 HydrophobicContact CD1-CG2 4.04Å; L862-T897 HydrophobicContact CD2-CG2 3.98Å; L862-W907 HydrophobicContact CD1-CD2 4.29Å; L862-W907 HydrophobicContact CD1-CZ2 4.15Å |
| 863 | L | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127 | 178.4 | -57.6 | 175.5 | 0 | 0 | 0 | 108.7 | L854 C855 N861 V872 R875 | L854-L863 WeakPolarHBondContact CA-O 3.36Å; C855-L863 PolarHBondContact N-O 2.99Å; C855-L863 PolarHBondContact O-N 3.03Å; N861-L863 HydrophobicContact CB-CD2 4.45Å; L863-V872 HydrophobicContact CD2-CG1 4.3Å; L863-R875 HydrophobicContact CD2-CB 3.87Å; L863-R875 HydrophobicContact CD2-CG 3.67Å |
| 864 | L | 92.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.3 | 168.8 | -176.9 | 64.7 | 0 | 0 | 0 | 108.3 | W608 M611 A612 V853 V872 I873 S874 | W608-L864 HydrophobicContact CE3-CD1 4.47Å; W608-L864 HydrophobicContact CZ3-CD1 4.19Å; M611-L864 HydrophobicContact CB-CD1 3.95Å; M611-L864 HydrophobicContact CB-CD2 3.83Å; M611-L864 HydrophobicContact CG-CD1 3.84Å; M611-L864 HydrophobicContact CG-CD2 4.37Å; A612-L864 HydrophobicContact CB-CD2 4.09Å; V853-L864 CarbonylContact O-C 3.47Å; V853-L864 WeakPolarHBondContact O-CA 3.42Å; L864-V872 CarbonylContact O-C 3.56Å; L864-I873 HydrophobicContact CB-CB 4.42Å; L864-I873 HydrophobicContact CD2-CB 4.11Å; L864-I873 HydrophobicContact CD2-CD1 4.16Å; L864-I873 HydrophobicContact CD2-CG2 4.08Å; L864-I873 HydrophobicContact CG-CB 4.16Å; L864-I873 HydrophobicContact CG-CD1 4.05Å; L864-I873 PolarHBondContact O-N 3.39Å; L864-S874 VanDerWaalsContact CB-OG 3.3Å; L864-S874 WeakPolarHBondContact CB-OG 3.49Å; L864-S874 PolarHBondContact N-O 3.28Å; L864-S874 PolarHBondContact O-N 3.15Å |
| 865 | W | 90.3 | Very high | 88.5 | Confident | 13 Ų | 13 | 44 Ų | 44 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.5 | 178.6 | -73.2 | 80 | 0 | 0 | 0 | 110.9 | M823 V837 A839 S852 V853 C855 V872 | M823-W865 HydrophobicContact SD-CD2 4.29Å; M823-W865 HydrophobicContact SD-CG 4.34Å; V837-W865 HydrophobicContact CG1-CE3 4.13Å; V837-W865 HydrophobicContact CG1-CH2 4.17Å; V837-W865 HydrophobicContact CG1-CZ3 3.54Å; A839-W865 HydrophobicContact CB-CH2 4.45Å; A839-W865 HydrophobicContact CB-CZ2 3.97Å; S852-W865 CarbonylContact C-O 3.59Å; S852-W865 VanDerWaalsContact CA-O 3.22Å; S852-W865 WeakPolarHBondContact CA-O 3.41Å; V853-W865 HydrophobicContact CB-CB 4.3Å; V853-W865 PolarHBondContact N-O 2.95Å; V853-W865 PolarHBondContact O-N 3.44Å; C855-W865 PolarHBondContact SG-NE1 2.87Å; C855-W865 VanDerWaalsContact SG-NE1 3.44Å; W865-V872 HydrophobicContact CD2-CG2 3.81Å; W865-V872 VanDerWaalsContact CE2-CG2 3.49Å; W865-V872 HydrophobicContact CE3-CG2 4.03Å; W865-V872 HydrophobicContact CH2-CG2 3.69Å; W865-V872 HydrophobicContact CZ2-CG2 3.44Å; W865-V872 VanDerWaalsContact CZ2-CG2 3.44Å; W865-V872 HydrophobicContact CZ3-CG2 3.97Å |
| 866 | D | 86.6 | Confident | 88.4 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.1 | 160.3 | 170.7 | 16.2 | 0 | 0 | 0 | 108.3 | L868 S869 N870 T871 I873 | D866-L868 VanDerWaalsContact C-N 3.28Å; D866-L868 PolarHBondContact O-N 3.32Å; D866-L868 WeakPolarHBondContact OD1-CB 3.35Å; D866-L868 PolarHBondContact OD1-N 2.8Å; D866-S869 WeakPolarHBondContact CB-OG 3.26Å; D866-S869 VanDerWaalsContact OD2-CB 3.22Å; D866-S869 WeakPolarHBondContact OD2-CB 3.39Å; D866-S869 PolarHBondContact OD2-N 3.16Å; D866-S869 PolarHBondContact OD2-OG 3.35Å; D866-N870 WeakPolarHBondContact O-CA 3.46Å; D866-N870 PolarHBondContact O-N 3.37Å; D866-T871 PolarHBondContact N-O 2.7Å; D866-T871 PolarHBondContact O-N 3.23Å; D866-I873 HydrophobicContact CB-CD1 3.68Å; D866-I873 HydrophobicContact CB-CG1 3.97Å |
| 867 | L | 81.5 | Confident | 88.2 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.6 | -178.6 | -65.6 | 175.1 | 0 | 0 | 0 | 112.8 | L815 M823 V825 W848 S851 V853 N870 | L815-L867 HydrophobicContact CD2-CD1 4.49Å; M823-L867 HydrophobicContact CE-CD2 4.37Å; V825-L867 HydrophobicContact CG2-CD1 4Å; W848-L867 HydrophobicContact CE3-CD1 3.67Å; W848-L867 HydrophobicContact CZ3-CD1 3.79Å; S851-L867 WeakPolarHBondContact O-CB 3.36Å; S851-L867 PolarHBondContact O-N 3.41Å; V853-L867 HydrophobicContact CG2-CD1 3.44Å; V853-L867 VanDerWaalsContact CG2-CD1 3.44Å; V853-L867 HydrophobicContact CG2-CD2 3.87Å; V853-L867 HydrophobicContact CG2-CG 3.61Å; L867-N870 PolarHBondContact O-OD1 3.05Å |
| 868 | L | 77.3 | Confident | 88.2 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -43.4 | 177.4 | -63.9 | 174 | 0 | 0 | 0 | 110.8 | D866 | D866-L868 VanDerWaalsContact C-N 3.28Å; D866-L868 PolarHBondContact O-N 3.32Å; D866-L868 WeakPolarHBondContact OD1-CB 3.35Å; D866-L868 PolarHBondContact OD1-N 2.8Å |
| 869 | S | 75.3 | Confident | 88.2 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.4 | 177 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | D866 T871 | D866-S869 WeakPolarHBondContact CB-OG 3.26Å; D866-S869 VanDerWaalsContact OD2-CB 3.22Å; D866-S869 WeakPolarHBondContact OD2-CB 3.39Å; D866-S869 PolarHBondContact OD2-N 3.16Å; D866-S869 PolarHBondContact OD2-OG 3.35Å; S869-T871 WeakPolarHBondContact O-CG2 3.25Å; S869-T871 PolarHBondContact O-N 3.14Å; S869-T871 PolarHBondContact OG-OG1 3.23Å |
| 870 | N | 80.3 | Confident | 88.2 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36.5 | -171.7 | -65.3 | -24.6 | 0 | 0 | 0 | 112.9 | V837 D866 L867 | V837-N870 HydrophobicContact CG1-CB 4.32Å; V837-N870 HydrophobicContact CG2-CB 4.24Å; V837-N870 WeakPolarHBondContact CG2-OD1 3.29Å; D866-N870 WeakPolarHBondContact O-CA 3.46Å; D866-N870 PolarHBondContact O-N 3.37Å; L867-N870 PolarHBondContact O-OD1 3.05Å |
| 871 | T | 83.8 | Confident | 88.3 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 44% | 0.442 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.8 | -178.7 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | D866 S869 I873 | D866-T871 PolarHBondContact N-O 2.7Å; D866-T871 PolarHBondContact O-N 3.23Å; S869-T871 WeakPolarHBondContact O-CG2 3.25Å; S869-T871 PolarHBondContact O-N 3.14Å; S869-T871 PolarHBondContact OG-OG1 3.23Å; T871-I873 PolarHBondContact O-N 3.14Å |
| 872 | V | 87.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.9 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | L863 L864 W865 S874 | L863-V872 HydrophobicContact CD2-CG1 4.3Å; L864-V872 CarbonylContact O-C 3.56Å; W865-V872 HydrophobicContact CD2-CG2 3.81Å; W865-V872 VanDerWaalsContact CE2-CG2 3.49Å; W865-V872 HydrophobicContact CE3-CG2 4.03Å; W865-V872 HydrophobicContact CH2-CG2 3.69Å; W865-V872 HydrophobicContact CZ2-CG2 3.44Å; W865-V872 VanDerWaalsContact CZ2-CG2 3.44Å; W865-V872 HydrophobicContact CZ3-CG2 3.97Å; V872-S874 WeakPolarHBondContact CG1-O 3.15Å |
| 873 | I | 87.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 46.1 Ų | 46.1 | 46% | 0.456 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -45.6 | 175.9 | -60.4 | 165.5 | 0 | 0 | 0 | 110.3 | L864 D866 T871 | L864-I873 HydrophobicContact CB-CB 4.42Å; L864-I873 HydrophobicContact CD2-CB 4.11Å; L864-I873 HydrophobicContact CD2-CD1 4.16Å; L864-I873 HydrophobicContact CD2-CG2 4.08Å; L864-I873 HydrophobicContact CG-CB 4.16Å; L864-I873 HydrophobicContact CG-CD1 4.05Å; L864-I873 PolarHBondContact O-N 3.39Å; D866-I873 HydrophobicContact CB-CD1 3.68Å; D866-I873 HydrophobicContact CB-CG1 3.97Å; T871-I873 PolarHBondContact O-N 3.14Å |
| 874 | S | 88.8 | Confident | 88.4 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 149.4 | -176.4 | 77.5 | 0 | 0 | 0 | 0 | 112.6 | L864 V872 | L864-S874 VanDerWaalsContact CB-OG 3.3Å; L864-S874 WeakPolarHBondContact CB-OG 3.49Å; L864-S874 PolarHBondContact N-O 3.28Å; L864-S874 PolarHBondContact O-N 3.15Å; V872-S874 WeakPolarHBondContact CG1-O 3.15Å |
| 875 | R | 92.2 | Very high | 88.5 | Confident | 115 Ų | 115 | 48 Ų | 48 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119 | 172.9 | 179.3 | 175.1 | -68.4 | -148.5 | 5.7 | 108.8 | E840 N861 L863 | E840-R875 IonicContact OE2-CZ 3.79Å; E840-R875 IonicContact OE2-NH2 2.88Å; E840-R875 PolarHBondContact OE2-NH2 3.14Å; N861-R875 HydrophobicContact CB-CG 3.99Å; L863-R875 HydrophobicContact CD2-CB 3.87Å; L863-R875 HydrophobicContact CD2-CG 3.67Å |
| 876 | I | 91.9 | Very high | 88.7 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.2 | -176 | -52.9 | 177.6 | 0 | 0 | 0 | 108.3 | L614 L862 A878 W907 | L614-I876 HydrophobicContact CB-CD1 3.87Å; L614-I876 HydrophobicContact CD2-CD1 4.46Å; L862-I876 HydrophobicContact CB-CB 4.29Å; L862-I876 PolarHBondContact N-O 2.8Å; L862-I876 PolarHBondContact O-N 2.87Å; I876-A878 PolarHBondContact O-N 3.23Å; I876-W907 HydrophobicContact CG2-CE3 4.5Å; I876-W907 HydrophobicContact CG2-CH2 4.18Å; I876-W907 HydrophobicContact CG2-CZ3 3.67Å |
| 877 | P | 91.2 | Very high | 89.1 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 64% | 0.643 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 120.2 | 175.1 | -22.1 | 33.4 | 0 | 0 | 0 | 111.2 | N861 | N861-P877 WeakPolarHBondContact OD1-CA 3.45Å |
| 878 | A | 90.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -117.9 | -76.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G860 L862 I876 M905 W907 | G860-A878 WeakPolarHBondContact O-CB 3.34Å; G860-A878 PolarHBondContact O-N 2.8Å; L862-A878 HydrophobicContact CD1-CB 4.01Å; L862-A878 HydrophobicContact CG-CB 3.74Å; I876-A878 PolarHBondContact O-N 3.23Å; A878-M905 WeakPolarHBondContact O-CE 3.28Å; A878-W907 HydrophobicContact CB-CH2 3.66Å; A878-W907 HydrophobicContact CB-CZ2 3.37Å | ||
| 879 | H | 93.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.06 | 26% | 0.26 | C | S | . | . | trans | -104.4 | 160.5 | -174.3 | -70.2 | -94.5 | 0 | 0 | 0 | 111.9 | G860 G881 V883 T897 D901 Q903 | G860-H879 WeakPolarHBondContact CA-O 3.01Å; G860-H879 PolarHBondContact O-N 3.04Å; H879-G881 VanDerWaalsContact C-N 3.3Å; H879-G881 WeakPolarHBondContact CB-O 2.97Å; H879-V883 HydrophobicContact CB-CG2 4.42Å; H879-T897 WeakPolarHBondContact NE2-CB 3.4Å; H879-T897 PolarHBondContact NE2-OG1 2.76Å; H879-D901 WeakPolarHBondContact CA-OD2 3.39Å; H879-D901 WeakPolarHBondContact CB-OD2 2.89Å; H879-D901 IonicContact CE1-OD1 2.85Å; H879-D901 IonicContact CG-OD1 3.28Å; H879-D901 IonicContact CG-OD2 2.8Å; H879-D901 VanDerWaalsContact ND1-CG 3.33Å; H879-D901 IonicContact ND1-OD1 3.14Å; H879-D901 PolarHBondContact ND1-OD1 2.84Å; H879-D901 IonicContact ND1-OD2 3.78Å; H879-D901 PolarHBondContact ND1-OD2 2.71Å; H879-D901 VanDerWaalsContact ND1-OD2 3.16Å; H879-Q903 PolarHBondContact CE1-O 3.17Å | ||
| 880 | S | 90.1 | Very high | 90.5 | Very high | 106 Ų | 106 | 51.3 Ų | 51.3 | 74% | 0.741 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -88.5 | 5.2 | 173 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | D901 | S880-D901 PolarHBondContact N-OD2 3.46Å; S880-D901 WeakPolarHBondContact OG-CB 3.49Å |
| 881 | G | 91.2 | Very high | 90.7 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -152.4 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G860 H879 V883 | G860-G881 WeakPolarHBondContact CA-O 3.27Å; H879-G881 VanDerWaalsContact C-N 3.3Å; H879-G881 WeakPolarHBondContact CB-O 2.97Å; G881-V883 PolarHBondContact O-N 2.53Å |
| 882 | A | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | trans | -58.1 | 141.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G857 T884 G899 E900 | G857-A882 WeakPolarHBondContact O-CA 3.39Å; A882-T884 PolarHBondContact O-N 3.35Å; A882-G899 CarbonylContact O-C 3.57Å; A882-G899 WeakPolarHBondContact O-CA 3.45Å; A882-E900 HydrophobicContact CB-CG 3.99Å; A882-E900 PolarHBondContact N-OE2 3.18Å; A882-E900 PolarHBondContact O-N 3.22Å | ||
| 883 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 111.8 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | R844 C845 G857 L862 H879 G881 T897 | R844-V883 WeakPolarHBondContact CB-O 3.29Å; C845-V883 PolarHBondContact SG-O 2.57Å; G857-V883 PolarHBondContact O-N 2.91Å; G857-V883 VanDerWaalsContact O-N 3.17Å; L862-V883 HydrophobicContact CD2-CG1 4.18Å; L862-V883 HydrophobicContact CD2-CG2 4.16Å; H879-V883 HydrophobicContact CB-CG2 4.42Å; G881-V883 PolarHBondContact O-N 2.53Å; V883-T897 HydrophobicContact CG1-CG2 4.38Å |
| 884 | T | 94.2 | Very high | 91.1 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -26.2 | -167.8 | 43.6 | 0 | 0 | 0 | 0 | 113.2 | V627 A882 G898 E900 | V627-T884 VanDerWaalsContact O-CB 3.23Å; V627-T884 WeakPolarHBondContact O-CB 3.49Å; V627-T884 PolarHBondContact O-OG1 3.22Å; A882-T884 PolarHBondContact O-N 3.35Å; T884-G898 PolarHBondContact N-O 2.96Å; T884-G898 PolarHBondContact OG1-O 2.86Å; T884-E900 HydrophobicContact CG2-CG 3.75Å |
| 885 | A | 93.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | I630 T897 G898 | I630-A885 HydrophobicContact CD1-CB 4.03Å; I630-A885 HydrophobicContact CG1-CB 4Å; A885-T897 WeakPolarHBondContact O-CA 3.43Å; A885-G898 PolarHBondContact N-O 3.41Å; A885-G898 PolarHBondContact O-N 2.87Å |
| 886 | M | 95.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.8 | 178 | -169.8 | 178 | -33.2 | 0 | 0 | 109.8 | C845 C847 L854 L862 V895 I896 T897 | C845-M886 HydrophobicContact CB-CB 4.39Å; C847-M886 HydrophobicContact CB-SD 4.37Å; L854-M886 HydrophobicContact CD2-SD 4.17Å; L854-M886 HydrophobicContact CG-SD 4.24Å; L854-M886 WeakPolarHBondContact O-CE 3.48Å; L862-M886 HydrophobicContact CD2-CE 4.33Å; M886-V895 HydrophobicContact CG-CG1 3.85Å; M886-V895 HydrophobicContact SD-CG1 4.19Å; M886-I896 WeakPolarHBondContact CA-O 3.07Å; M886-T897 HydrophobicContact CG-CG2 4.23Å |
| 887 | W | 94.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.5 | 172 | -179.3 | 90.7 | 0 | 0 | 0 | 109.3 | I630 V632 N889 V895 I896 | I630-W887 HydrophobicContact CB-CB 4.2Å; I630-W887 HydrophobicContact CG2-CB 3.9Å; V632-W887 HydrophobicContact CB-CD2 4.22Å; V632-W887 HydrophobicContact CB-CE3 4.42Å; V632-W887 HydrophobicContact CB-CH2 3.89Å; V632-W887 HydrophobicContact CB-CZ2 3.69Å; V632-W887 HydrophobicContact CB-CZ3 4.26Å; V632-W887 HydrophobicContact CG1-CH2 4.02Å; V632-W887 HydrophobicContact CG1-CZ2 4.28Å; V632-W887 HydrophobicContact CG1-CZ3 4.38Å; V632-W887 HydrophobicContact CG2-CD2 3.53Å; V632-W887 HydrophobicContact CG2-CE3 3.64Å; V632-W887 HydrophobicContact CG2-CG 4.09Å; V632-W887 HydrophobicContact CG2-CH2 4Å; V632-W887 HydrophobicContact CG2-CZ2 3.95Å; V632-W887 HydrophobicContact CG2-CZ3 3.86Å; W887-N889 HydrophobicContact CH2-CB 3.46Å; W887-N889 VanDerWaalsContact CH2-CB 3.46Å; W887-N889 HydrophobicContact CZ2-CB 4.31Å; W887-N889 HydrophobicContact CZ3-CB 3.75Å; W887-V895 CarbonylContact O-C 3.56Å; W887-V895 WeakPolarHBondContact O-CA 3.36Å; W887-I896 HydrophobicContact CE3-CD1 3.93Å; W887-I896 HydrophobicContact CE3-CG1 4.11Å; W887-I896 HydrophobicContact CZ3-CD1 4.27Å; W887-I896 PolarHBondContact N-O 2.81Å; W887-I896 PolarHBondContact O-N 3.45Å |
| 888 | M | 91.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.9 | 176.5 | -173.3 | 175.5 | 67.2 | 0 | 0 | 109.3 | W608 M611 C847 C892 V895 | W608-M888 HydrophobicContact CZ2-CE 3.63Å; W608-M888 HydrophobicContact CZ2-SD 3.92Å; M611-M888 HydrophobicContact CE-SD 4.27Å; C847-M888 HydrophobicContact CB-CB 4.41Å; C847-M888 HydrophobicContact CB-CE 3.93Å; C847-M888 HydrophobicContact CB-SD 4.24Å; M888-C892 HydrophobicContact CE-CB 4.14Å; M888-C892 VanDerWaalsContact CE-SG 3.5Å; M888-C892 HydrophobicContact SD-CB 3.87Å; M888-V895 HydrophobicContact CB-CG2 4.44Å; M888-V895 HydrophobicContact CG-CG2 4.04Å; M888-V895 HydrophobicContact SD-CG2 4.39Å |
| 889 | N | 88.7 | Confident | 92 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | trans | -76.8 | 163.7 | 176.8 | 73.7 | -38.3 | 0 | 0 | 0 | 112.2 | W887 L891 C892 N893 K894 | W887-N889 HydrophobicContact CH2-CB 3.46Å; W887-N889 VanDerWaalsContact CH2-CB 3.46Å; W887-N889 HydrophobicContact CZ2-CB 4.31Å; W887-N889 HydrophobicContact CZ3-CB 3.75Å; N889-L891 PolarHBondContact O-N 3.24Å; N889-L891 VanDerWaalsContact O-N 3.13Å; N889-C892 WeakPolarHBondContact O-CA 3.13Å; N889-C892 PolarHBondContact O-N 2.75Å; N889-C892 PolarHBondContact OD1-N 3.4Å; N889-N893 PolarHBondContact ND2-OD1 3.34Å; N889-N893 PolarHBondContact OD1-N 3.38Å; N889-N893 PolarHBondContact OD1-OD1 2.84Å; N889-K894 PolarHBondContact N-O 2.57Å; N889-K894 PolarHBondContact OD1-N 2.68Å; N889-K894 PolarHBondContact OD1-O 3.48Å | ||
| 890 | E | 83.1 | Confident | 92.1 | Very high | 173 Ų | 173 | 38.5 Ų | 38.5 | 81% | 0.808 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.8 | -178.9 | -64 | 179.1 | 170.7 | 0 | 0 | 114.1 | R604 C892 | R604-E890 VanDerWaalsContact CD-O 3.32Å; R604-E890 WeakPolarHBondContact CD-O 3.49Å; R604-E890 WeakPolarHBondContact CG-O 3.27Å; E890-C892 VanDerWaalsContact C-N 3.27Å; E890-C892 PolarHBondContact O-N 3.48Å |
| 891 | L | 85 | Confident | 92.3 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1.7 | 176.6 | -60.4 | 175.8 | 0 | 0 | 0 | 113.7 | T600 N889 N893 | T600-L891 HydrophobicContact CG2-CD2 4.14Å; N889-L891 PolarHBondContact O-N 3.24Å; N889-L891 VanDerWaalsContact O-N 3.13Å; L891-N893 PolarHBondContact O-N 3.42Å |
| 892 | C | 88.3 | Confident | 92.4 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 56.7 | 16.4 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 115.5 | A607 W608 M611 M888 N889 E890 L909 | A607-C892 HydrophobicContact CB-CB 3.8Å; W608-C892 PolarHBondContact NE1-SG 3.36Å; W608-C892 VanDerWaalsContact NE1-SG 3.36Å; M611-C892 WeakPolarHBondContact CE-O 3.27Å; M888-C892 HydrophobicContact CE-CB 4.14Å; M888-C892 VanDerWaalsContact CE-SG 3.5Å; M888-C892 HydrophobicContact SD-CB 3.87Å; N889-C892 WeakPolarHBondContact O-CA 3.13Å; N889-C892 PolarHBondContact O-N 2.75Å; N889-C892 PolarHBondContact OD1-N 3.4Å; E890-C892 VanDerWaalsContact C-N 3.27Å; E890-C892 PolarHBondContact O-N 3.48Å; C892-L909 WeakPolarHBondContact O-CD1 3.37Å |
| 893 | N | 87.6 | Confident | 92.3 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | trans | -105.8 | -6.4 | -173.2 | 69.6 | 5 | 0 | 0 | 0 | 115 | N889 L891 R908 L909 | N889-N893 PolarHBondContact ND2-OD1 3.34Å; N889-N893 PolarHBondContact OD1-N 3.38Å; N889-N893 PolarHBondContact OD1-OD1 2.84Å; L891-N893 PolarHBondContact O-N 3.42Å; N893-R908 WeakPolarHBondContact O-CA 3.3Å; N893-L909 HydrophobicContact CB-CD1 4.12Å; N893-L909 PolarHBondContact O-N 3.25Å; N893-L909 VanDerWaalsContact O-N 3.1Å | ||
| 894 | K | 90.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.7 | 175 | -68 | 169.1 | -173.2 | 157.9 | 0 | 108.8 | N889 W907 R908 | N889-K894 PolarHBondContact N-O 2.57Å; N889-K894 PolarHBondContact OD1-N 2.68Å; N889-K894 PolarHBondContact OD1-O 3.48Å; K894-W907 WeakPolarHBondContact CA-O 3.32Å; K894-R908 HydrophobicContact CG-CG 4.41Å |
| 895 | V | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.1 | 176.7 | -177 | 0 | 0 | 0 | 0 | 108.3 | L614 L854 M886 W887 M888 T897 W907 | L614-V895 HydrophobicContact CD1-CG2 4.32Å; L614-V895 HydrophobicContact CD2-CB 4.48Å; L614-V895 HydrophobicContact CD2-CG2 4.46Å; L854-V895 HydrophobicContact CD2-CG1 4.21Å; L854-V895 HydrophobicContact CD2-CG2 4.03Å; M886-V895 HydrophobicContact CG-CG1 3.85Å; M886-V895 HydrophobicContact SD-CG1 4.19Å; W887-V895 CarbonylContact O-C 3.56Å; W887-V895 WeakPolarHBondContact O-CA 3.36Å; M888-V895 HydrophobicContact CB-CG2 4.44Å; M888-V895 HydrophobicContact CG-CG2 4.04Å; M888-V895 HydrophobicContact SD-CG2 4.39Å; V895-T897 HydrophobicContact CG1-CG2 4.04Å; V895-W907 HydrophobicContact CB-CB 4.07Å; V895-W907 PolarHBondContact N-O 3.03Å; V895-W907 VanDerWaalsContact N-O 3.12Å; V895-W907 WeakPolarHBondContact O-CA 3.4Å; V895-W907 WeakPolarHBondContact O-CB 3.19Å; V895-W907 PolarHBondContact O-N 3.07Å |
| 896 | I | 94.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.7 | 172.8 | -52.6 | 176.1 | 0 | 0 | 0 | 107.2 | I630 V632 I639 M886 W887 I904 M905 F906 | I630-I896 HydrophobicContact CD1-CG2 4.02Å; I630-I896 HydrophobicContact CG2-CB 4.41Å; I630-I896 HydrophobicContact CG2-CG2 4.15Å; V632-I896 HydrophobicContact CG2-CD1 3.71Å; I639-I896 HydrophobicContact CG1-CD1 3.95Å; I639-I896 HydrophobicContact CG2-CD1 4.36Å; M886-I896 WeakPolarHBondContact CA-O 3.07Å; W887-I896 HydrophobicContact CE3-CD1 3.93Å; W887-I896 HydrophobicContact CE3-CG1 4.11Å; W887-I896 HydrophobicContact CZ3-CD1 4.27Å; W887-I896 PolarHBondContact N-O 2.81Å; W887-I896 PolarHBondContact O-N 3.45Å; I896-I904 HydrophobicContact CG2-CG2 3.51Å; I896-M905 WeakPolarHBondContact CA-O 3.5Å; I896-F906 HydrophobicContact CD1-CD1 4Å; I896-F906 HydrophobicContact CD1-CE1 3.72Å; I896-F906 HydrophobicContact CG1-CD1 3.87Å; I896-F906 HydrophobicContact CG1-CE1 4.05Å; I896-F906 HydrophobicContact CG2-CD1 4.33Å; I896-F906 HydrophobicContact CG2-CE1 4.15Å |
| 897 | T | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.5 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | L862 H879 V883 A885 M886 V895 I904 M905 W907 | L862-T897 HydrophobicContact CD1-CG2 4.04Å; L862-T897 HydrophobicContact CD2-CG2 3.98Å; H879-T897 WeakPolarHBondContact NE2-CB 3.4Å; H879-T897 PolarHBondContact NE2-OG1 2.76Å; V883-T897 HydrophobicContact CG1-CG2 4.38Å; A885-T897 WeakPolarHBondContact O-CA 3.43Å; M886-T897 HydrophobicContact CG-CG2 4.23Å; V895-T897 HydrophobicContact CG1-CG2 4.04Å; T897-I904 CarbonylContact O-C 3.57Å; T897-I904 VanDerWaalsContact O-CA 3.31Å; T897-I904 WeakPolarHBondContact O-CA 3.34Å; T897-M905 PolarHBondContact N-O 2.96Å; T897-M905 PolarHBondContact O-N 2.9Å; T897-W907 PolarHBondContact OG1-NE1 3.46Å |
| 898 | G | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | T884 A885 Q903 | T884-G898 PolarHBondContact N-O 2.96Å; T884-G898 PolarHBondContact OG1-O 2.86Å; A885-G898 PolarHBondContact N-O 3.41Å; A885-G898 PolarHBondContact O-N 2.87Å; G898-Q903 WeakPolarHBondContact CA-O 3.5Å |
| 899 | G | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V627 A882 D901 K902 Q903 | V627-G899 PolarHBondContact N-O 2.96Å; A882-G899 CarbonylContact O-C 3.57Å; A882-G899 WeakPolarHBondContact O-CA 3.45Å; G899-D901 PolarHBondContact O-N 3.31Å; G899-K902 PolarHBondContact O-N 3.38Å; G899-K902 VanDerWaalsContact O-N 3.14Å; G899-Q903 PolarHBondContact N-O 3.27Å |
| 900 | E | 94.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.8 | 173.3 | -69.6 | -177.7 | 162.5 | 0 | 0 | 113 | A626 A882 T884 K902 | A626-E900 HydrophobicContact CB-CB 4.44Å; A626-E900 HydrophobicContact CB-CG 4.21Å; A882-E900 HydrophobicContact CB-CG 3.99Å; A882-E900 PolarHBondContact N-OE2 3.18Å; A882-E900 PolarHBondContact O-N 3.22Å; T884-E900 HydrophobicContact CG2-CG 3.75Å; E900-K902 PolarHBondContact O-N 3.37Å; E900-K902 VanDerWaalsContact O-N 3.11Å |
| 901 | D | 93.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 3.6 | 173.8 | 69.3 | -2.7 | 0 | 0 | 0 | 114 | H879 S880 G899 Q903 | H879-D901 WeakPolarHBondContact CA-OD2 3.39Å; H879-D901 WeakPolarHBondContact CB-OD2 2.89Å; H879-D901 IonicContact CE1-OD1 2.85Å; H879-D901 IonicContact CG-OD1 3.28Å; H879-D901 IonicContact CG-OD2 2.8Å; H879-D901 VanDerWaalsContact ND1-CG 3.33Å; H879-D901 IonicContact ND1-OD1 3.14Å; H879-D901 PolarHBondContact ND1-OD1 2.84Å; H879-D901 IonicContact ND1-OD2 3.78Å; H879-D901 PolarHBondContact ND1-OD2 2.71Å; H879-D901 VanDerWaalsContact ND1-OD2 3.16Å; S880-D901 PolarHBondContact N-OD2 3.46Å; S880-D901 WeakPolarHBondContact OG-CB 3.49Å; G899-D901 PolarHBondContact O-N 3.31Å; D901-Q903 PolarHBondContact O-N 3.42Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.26Å; D901-Q903 PolarHBondContact OD1-N 3.18Å; D901-Q903 VanDerWaalsContact OD1-N 3.14Å |
| 902 | K | 93.7 | Very high | 89.6 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 24% | 0.239 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 73.4 | 15.1 | 173.5 | -42.8 | 162.9 | 177.5 | -136.6 | 0 | 111.9 | K621 H623 K624 E625 G899 E900 | K621-K902 HydrophobicContact CG-CB 4.4Å; H623-K902 WeakPolarHBondContact O-CB 3.34Å; K624-K902 WeakPolarHBondContact O-CD 3.47Å; K624-K902 VanDerWaalsContact O-CE 3.25Å; K624-K902 WeakPolarHBondContact O-CE 3.24Å; K624-K902 PolarHBondContact O-NZ 2.77Å; E625-K902 VanDerWaalsContact CD-NZ 3.35Å; E625-K902 IonicContact OE1-NZ 3.01Å; E625-K902 PolarHBondContact OE1-NZ 2.83Å; E625-K902 IonicContact OE2-NZ 3.24Å; E625-K902 PolarHBondContact OE2-NZ 2.98Å; E625-K902 VanDerWaalsContact OE2-NZ 3.14Å; G899-K902 PolarHBondContact O-N 3.38Å; G899-K902 VanDerWaalsContact O-N 3.14Å; E900-K902 PolarHBondContact O-N 3.37Å; E900-K902 VanDerWaalsContact O-N 3.11Å |
| 903 | Q | 92.3 | Very high | 89.7 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | trans | -107 | 153.2 | -177.5 | -54.6 | -170.4 | 26.4 | 0 | 0 | 111.9 | S619 H620 K621 H879 G898 G899 D901 M905 | S619-Q903 PolarHBondContact OG-OE1 3.01Å; H620-Q903 WeakPolarHBondContact O-CA 3.17Å; K621-Q903 HydrophobicContact CB-CG 4.05Å; K621-Q903 HydrophobicContact CG-CG 4.21Å; H879-Q903 PolarHBondContact CE1-O 3.17Å; G898-Q903 WeakPolarHBondContact CA-O 3.5Å; G899-Q903 PolarHBondContact N-O 3.27Å; D901-Q903 PolarHBondContact O-N 3.42Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.26Å; D901-Q903 PolarHBondContact OD1-N 3.18Å; D901-Q903 VanDerWaalsContact OD1-N 3.14Å; Q903-M905 HydrophobicContact CB-CE 4.3Å | ||
| 904 | I | 93.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.2 | 166.1 | -59.6 | 169.5 | 0 | 0 | 0 | 107.2 | H620 I622 V627 S641 I896 T897 F906 | H620-I904 PolarHBondContact N-O 3.19Å; H620-I904 PolarHBondContact O-N 3.32Å; I622-I904 HydrophobicContact CD1-CD1 4.28Å; V627-I904 HydrophobicContact CG1-CG1 4.39Å; V627-I904 HydrophobicContact CG2-CG1 3.95Å; S641-I904 WeakPolarHBondContact OG-CD1 3.4Å; I896-I904 HydrophobicContact CG2-CG2 3.51Å; T897-I904 CarbonylContact O-C 3.57Å; T897-I904 VanDerWaalsContact O-CA 3.31Å; T897-I904 WeakPolarHBondContact O-CA 3.34Å; I904-F906 HydrophobicContact CG2-CE2 4.14Å; I904-F906 HydrophobicContact CG2-CZ 4.19Å |
| 905 | M | 94.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.7 | -179.8 | -59.1 | -161.5 | -169 | 0 | 0 | 111.1 | R616 A878 I896 T897 Q903 W907 | R616-M905 VanDerWaalsContact CD-SD 3.56Å; A878-M905 WeakPolarHBondContact O-CE 3.28Å; I896-M905 WeakPolarHBondContact CA-O 3.5Å; T897-M905 PolarHBondContact N-O 2.96Å; T897-M905 PolarHBondContact O-N 2.9Å; Q903-M905 HydrophobicContact CB-CE 4.3Å; M905-W907 HydrophobicContact CB-CZ2 4Å; M905-W907 HydrophobicContact SD-CZ2 3.97Å |
| 906 | F | 92.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 44 Ų | 44 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.8 | -179.5 | -66 | -89 | 0 | 0 | 0 | 110.1 | R616 I617 S618 H620 I639 F651 I896 I904 | R616-F906 CarbonylContact C-O 3.59Å; R616-F906 WeakPolarHBondContact CA-O 3.34Å; I617-F906 HydrophobicContact CB-CB 4.43Å; I617-F906 PolarHBondContact N-O 3Å; S618-F906 PolarHBondContact O-N 2.8Å; S618-F906 VanDerWaalsContact OG-CD2 3.28Å; S618-F906 WeakPolarHBondContact OG-CD2 3.5Å; H620-F906 AromaticContact CD2-CD2 3.85Å; H620-F906 AromaticContact CD2-CE2 3.61Å; I639-F906 HydrophobicContact CD1-CE1 3.44Å; I639-F906 VanDerWaalsContact CD1-CE1 3.44Å; I639-F906 HydrophobicContact CD1-CZ 3.76Å; I639-F906 HydrophobicContact CG1-CE1 3.96Å; I639-F906 HydrophobicContact CG1-CZ 4.35Å; F651-F906 HydrophobicContact CD1-CE2 4.33Å; F651-F906 AromaticContact CD1-CZ 3.88Å; F651-F906 HydrophobicContact CD1-CZ 3.88Å; F651-F906 HydrophobicContact CE1-CE2 4.07Å; F651-F906 AromaticContact CE1-CZ 3.97Å; F651-F906 HydrophobicContact CE1-CZ 3.97Å; I896-F906 HydrophobicContact CD1-CD1 4Å; I896-F906 HydrophobicContact CD1-CE1 3.72Å; I896-F906 HydrophobicContact CG1-CD1 3.87Å; I896-F906 HydrophobicContact CG1-CE1 4.05Å; I896-F906 HydrophobicContact CG2-CD1 4.33Å; I896-F906 HydrophobicContact CG2-CE1 4.15Å; I904-F906 HydrophobicContact CG2-CE2 4.14Å; I904-F906 HydrophobicContact CG2-CZ 4.19Å |
| 907 | W | 93.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.6 | -174.6 | -52.9 | 88.2 | 0 | 0 | 0 | 111 | L614 K615 R616 L862 I876 A878 K894 V895 T897 M905 | L614-W907 HydrophobicContact CD1-CB 3.74Å; L614-W907 HydrophobicContact CD2-CB 3.82Å; L614-W907 HydrophobicContact CD2-CD2 4.25Å; L614-W907 HydrophobicContact CD2-CE3 4.16Å; L614-W907 HydrophobicContact CD2-CG 4.11Å; L614-W907 HydrophobicContact CG-CB 3.73Å; L614-W907 HydrophobicContact CG-CE3 4.17Å; L614-W907 HydrophobicContact CG-CG 4.4Å; K615-W907 WeakPolarHBondContact O-CA 3.01Å; R616-W907 HydrophobicContact CB-CD2 4.38Å; R616-W907 HydrophobicContact CB-CE3 3.84Å; R616-W907 HydrophobicContact CB-CH2 3.85Å; R616-W907 HydrophobicContact CB-CZ2 4.38Å; R616-W907 HydrophobicContact CB-CZ3 3.58Å; R616-W907 HydrophobicContact CG-CH2 4.23Å; R616-W907 HydrophobicContact CG-CZ2 4.32Å; R616-W907 HydrophobicContact CG-CZ3 4.37Å; L862-W907 HydrophobicContact CD1-CD2 4.29Å; L862-W907 HydrophobicContact CD1-CZ2 4.15Å; I876-W907 HydrophobicContact CG2-CE3 4.5Å; I876-W907 HydrophobicContact CG2-CH2 4.18Å; I876-W907 HydrophobicContact CG2-CZ3 3.67Å; A878-W907 HydrophobicContact CB-CH2 3.66Å; A878-W907 HydrophobicContact CB-CZ2 3.37Å; K894-W907 WeakPolarHBondContact CA-O 3.32Å; V895-W907 HydrophobicContact CB-CB 4.07Å; V895-W907 PolarHBondContact N-O 3.03Å; V895-W907 VanDerWaalsContact N-O 3.12Å; V895-W907 WeakPolarHBondContact O-CA 3.4Å; V895-W907 WeakPolarHBondContact O-CB 3.19Å; V895-W907 PolarHBondContact O-N 3.07Å; T897-W907 PolarHBondContact OG1-NE1 3.46Å; M905-W907 HydrophobicContact CB-CZ2 4Å; M905-W907 HydrophobicContact SD-CZ2 3.97Å |
| 908 | R | 90.6 | Very high | 88.7 | Confident | 132 Ų | 132 | 49.5 Ų | 49.5 | 50% | 0.498 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 142.1 | 175.1 | -169.5 | -173.6 | -147.1 | 168.2 | 2.4 | 110.8 | K615 I617 N893 K894 | K615-R908 PolarHBondContact N-O 2.97Å; K615-R908 PolarHBondContact O-N 3.1Å; I617-R908 HydrophobicContact CD1-CB 3.36Å; I617-R908 HydrophobicContact CD1-CG 4.33Å; I617-R908 HydrophobicContact CG1-CB 3.96Å; N893-R908 WeakPolarHBondContact O-CA 3.3Å; K894-R908 HydrophobicContact CG-CG 4.41Å |
| 909 | L | 86.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -68.5 | 139.5 | 170.8 | -63 | 178.1 | 0 | 0 | 0 | 110.2 | A607 M611 L614 C892 N893 | A607-L909 VanDerWaalsContact CA-CD1 3.49Å; A607-L909 HydrophobicContact CB-CD1 3.53Å; A607-L909 WeakPolarHBondContact O-CD1 3.31Å; M611-L909 HydrophobicContact SD-CD2 3.95Å; L614-L909 HydrophobicContact CB-CD2 4.06Å; L614-L909 HydrophobicContact CD1-CD2 3.75Å; L614-L909 HydrophobicContact CD1-CG 4.18Å; C892-L909 WeakPolarHBondContact O-CD1 3.37Å; N893-L909 HydrophobicContact CB-CD1 4.12Å; N893-L909 PolarHBondContact O-N 3.25Å; N893-L909 VanDerWaalsContact O-N 3.1Å | ||
| 910 | Q | 73.1 | Confident | 87.5 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | trans | -78.1 | 126.6 | 167.6 | -68.3 | -159.9 | -61.7 | 0 | 0 | 108.3 | K615 | K615-Q910 HydrophobicContact CD-CG 4.03Å; K615-Q910 HydrophobicContact CG-CG 4.41Å; K615-Q910 VanDerWaalsContact NZ-CD 3.33Å | ||
| 911 | S | 52.6 | Low | 86.9 | Confident | 187 Ų | 187 | 54.6 Ų | 54.6 | 100% | 1.308 | 28% | 0.284 | S | S | * | . | trans | -67.7 | 0 | 170.9 | 55.4 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 911 of 911 residues in 471.7 ms
(Link to these results)