| 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 | 59.8 | Low | 91.3 | Very high | 208 Ų | 208 | 75.6 Ų | 75.6 | 100% | 1.025 | 39% | 0.392 | S | S | * | . | 0 | 32.8 | 0 | -146.8 | -175.2 | -81.8 | 0 | 0 | 109.9 | K370 | M1-K370 PolarHBondContact O-NZ 2.86Š| |||
| 2 | D | 81.7 | Confident | 91.9 | Very high | 86 Ų | 86 | 74.3 Ų | 74.3 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -121.1 | 3.2 | -151.1 | -64.1 | -68 | 0 | 0 | 0 | 115.1 | K373 | D2-K373 IonicContact OD1-NZ 3.07Å; D2-K373 PolarHBondContact OD1-NZ 3.02Å | ||
| 3 | K | 90.4 | Very high | 92.4 | Very high | 138 Ų | 138 | 75.8 Ų | 75.8 | 60% | 0.6 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -68.5 | 142.8 | 175.9 | -64.5 | -172 | 176.9 | -172.2 | 0 | 111.1 | Q5 | K3-Q5 PolarHBondContact O-NE2 3.47Š|
| 4 | P | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | trans | -50.7 | 144 | 169.8 | -27.1 | 36.7 | 0 | 0 | 0 | 111.8 | L294 L331 Q332 V368 T369 F374 | P4-L294 HydrophobicContact CB-CD2 3.82Å; P4-L294 HydrophobicContact CG-CD2 3.88Å; P4-L331 HydrophobicContact CG-CB 4.21Å; P4-L331 HydrophobicContact CG-CD1 4.33Å; P4-Q332 HydrophobicContact CB-CB 4.48Å; P4-Q332 WeakPolarHBondContact O-CG 3.49Å; P4-Q332 PolarHBondContact O-NE2 2.69Å; P4-V368 HydrophobicContact CB-CG1 4.19Å; P4-T369 VanDerWaalsContact CA-O 3.3Å; P4-T369 WeakPolarHBondContact CA-O 3.33Å; P4-T369 WeakPolarHBondContact CB-O 3.34Å; P4-F374 HydrophobicContact CG-CD2 4.22Å; P4-F374 HydrophobicContact CG-CE2 3.57Å; P4-F374 HydrophobicContact CG-CZ 4.13Å | ||
| 5 | Q | 94.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.4 | 171.3 | -55.5 | -63.1 | -55 | 0 | 0 | 108.3 | K3 V368 T369 | K3-Q5 PolarHBondContact O-NE2 3.47Å; Q5-V368 VanDerWaalsContact O-CA 3.3Å; Q5-V368 WeakPolarHBondContact O-CA 3.36Å; Q5-T369 WeakPolarHBondContact CB-OG1 3.22Å; Q5-T369 PolarHBondContact O-N 2.92Å |
| 6 | M | 97.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 69.1 Ų | 69.1 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.2 | 178.1 | -66.3 | 175.9 | 64.7 | 0 | 0 | 108.8 | M284 L292 L294 Q332 V334 L366 V368 | M6-M284 HydrophobicContact CE-CE 3.35Å; M6-M284 HydrophobicContact CE-SD 3.4Å; M6-M284 WeakPolarHBondContact CE-SD 3.37Å; M6-M284 HydrophobicContact SD-CE 4.2Å; M6-M284 HydrophobicContact SD-SD 4.26Å; M6-L292 HydrophobicContact CE-CB 3.52Å; M6-L292 HydrophobicContact CE-CD1 4.25Å; M6-L294 HydrophobicContact SD-CB 4.07Å; M6-Q332 HydrophobicContact CB-CG 4.47Å; M6-Q332 HydrophobicContact CG-CB 4.37Å; M6-Q332 HydrophobicContact CG-CG 3.84Å; M6-Q332 HydrophobicContact SD-CB 3.92Å; M6-Q332 HydrophobicContact SD-CG 3.68Å; M6-V334 HydrophobicContact CB-CB 4.28Å; M6-V334 HydrophobicContact CB-CG1 3.85Å; M6-V334 HydrophobicContact CE-CG1 3.51Å; M6-V334 HydrophobicContact SD-CG1 4.13Å; M6-L366 HydrophobicContact CB-CD1 4.29Å; M6-L366 HydrophobicContact CE-CD2 4.25Å; M6-V368 HydrophobicContact CG-CG1 4.06Å; M6-V368 HydrophobicContact CG-CG2 4Å |
| 7 | I | 96.2 | Very high | 93.8 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.1 | -171.2 | -56.7 | 169.4 | 0 | 0 | 0 | 108.9 | H9 L366 I367 | I7-H9 PolarHBondContact O-N 2.77Å; I7-L366 WeakPolarHBondContact O-CA 3.48Å; I7-L366 WeakPolarHBondContact O-CD1 3.45Å; I7-I367 PolarHBondContact N-O 3.48Å; I7-I367 PolarHBondContact O-N 2.57Å |
| 8 | G | 95.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 92.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 9 | H | 96.8 | Very high | 94.3 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 39% | 0.389 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -46.6 | -169.8 | -178.7 | 60 | 0 | 0 | 0 | 112.6 | I7 A50 I365 I367 | I7-H9 PolarHBondContact O-N 2.77Å; H9-A50 PolarHBondContact NE2-O 2.97Å; H9-I365 PolarHBondContact N-O 2.91Å; H9-I367 HydrophobicContact CB-CD1 3.85Å; H9-I367 HydrophobicContact CB-CG1 4.04Å |
| 10 | I | 98 | Very high | 94.5 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.8 | 177.8 | -64.1 | 157.6 | 0 | 0 | 0 | 108.1 | I53 R364 I365 | I10-I53 HydrophobicContact CD1-CG2 4.14Å; I10-I53 HydrophobicContact CG2-CG1 4.36Å; I10-I53 HydrophobicContact CG2-CG2 4.14Å; I10-R364 CarbonylContact O-C 3.57Å; I10-R364 VanDerWaalsContact O-CA 3.25Å; I10-R364 WeakPolarHBondContact O-CA 3.41Å; I10-I365 HydrophobicContact CB-CB 4.1Å; I10-I365 HydrophobicContact CB-CG1 4.15Å; I10-I365 HydrophobicContact CD1-CB 4.49Å; I10-I365 HydrophobicContact CD1-CG1 4.34Å; I10-I365 PolarHBondContact N-O 2.73Å; I10-I365 PolarHBondContact O-N 3.12Å |
| 11 | T | 98.2 | Very high | 94.7 | Very high | 81 Ų | 81 | 57 Ų | 57 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.6 | 170.6 | -59.1 | 0 | 0 | 0 | 0 | 108.8 | A362 I363 R364 | T11-A362 HydrophobicContact CG2-CB 4Å; T11-I363 CarbonylContact C-O 3.51Å; T11-I363 WeakPolarHBondContact CA-O 3.32Å; T11-R364 HydrophobicContact CG2-CG 4.09Å |
| 12 | K | 98.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 128.1 | 176.7 | -169.9 | 178.7 | -167.1 | 90.9 | 0 | 110.4 | Y46 I53 A362 I363 | K12-Y46 HydrophobicContact CD-CD1 4.45Å; K12-Y46 HydrophobicContact CD-CE1 3.77Å; K12-I53 HydrophobicContact CB-CD1 3.71Å; K12-I53 HydrophobicContact CB-CG1 3.99Å; K12-I53 HydrophobicContact CD-CD1 3.81Å; K12-I53 HydrophobicContact CD-CG1 3.55Å; K12-I53 HydrophobicContact CG-CD1 4.42Å; K12-I53 HydrophobicContact CG-CG1 4.41Å; K12-I53 PolarHBondContact NZ-O 2.89Å; K12-I53 VanDerWaalsContact NZ-O 3.16Å; K12-A362 CarbonylContact O-C 3.56Å; K12-A362 VanDerWaalsContact O-CA 3.31Å; K12-A362 WeakPolarHBondContact O-CA 3.17Å; K12-I363 PolarHBondContact N-O 3.35Å; K12-I363 PolarHBondContact O-N 2.66Å |
| 13 | S | 98.2 | Very high | 97.4 | Very high | 94 Ų | 94 | 45 Ų | 45 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 148.5 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | Q361 | S13-Q361 CarbonylContact C-O 3.47Å; S13-Q361 WeakPolarHBondContact CA-O 3.36Å |
| 14 | V | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | trans | -128.1 | 169 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | F16 L18 Q361 I363 | V14-F16 HydrophobicContact CB-CD1 3.86Å; V14-F16 HydrophobicContact CB-CE1 3.62Å; V14-F16 HydrophobicContact CB-CZ 4.44Å; V14-F16 HydrophobicContact CG1-CE1 4.04Å; V14-F16 HydrophobicContact CG2-CD1 3.86Å; V14-F16 HydrophobicContact CG2-CE1 3.73Å; V14-F16 HydrophobicContact CG2-CG 4.38Å; V14-F16 HydrophobicContact CG2-CZ 4.19Å; V14-F16 WeakPolarHBondContact CG2-O 3.03Å; V14-L18 HydrophobicContact CG2-CD1 3.75Å; V14-L18 HydrophobicContact CG2-CD2 4.12Å; V14-L18 HydrophobicContact CG2-CG 3.83Å; V14-Q361 HydrophobicContact CG2-CB 4.27Å; V14-Q361 WeakPolarHBondContact CG2-O 3.47Å; V14-Q361 PolarHBondContact N-O 2.9Å; V14-Q361 WeakPolarHBondContact O-CB 3.11Å; V14-I363 HydrophobicContact CG1-CD1 3.76Å; V14-I363 HydrophobicContact CG1-CG1 4.22Å | ||
| 15 | D | 97.5 | Very high | 97.6 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -98.1 | 15.8 | -176 | 68.2 | -19.1 | 0 | 0 | 0 | 113.9 | ||
| 16 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -142.4 | 159.9 | -177 | 69.3 | -83.1 | 0 | 0 | 0 | 112.2 | V14 L18 V32 S35 K36 A42 Q44 Q361 | V14-F16 HydrophobicContact CB-CD1 3.86Å; V14-F16 HydrophobicContact CB-CE1 3.62Å; V14-F16 HydrophobicContact CB-CZ 4.44Å; V14-F16 HydrophobicContact CG1-CE1 4.04Å; V14-F16 HydrophobicContact CG2-CD1 3.86Å; V14-F16 HydrophobicContact CG2-CE1 3.73Å; V14-F16 HydrophobicContact CG2-CG 4.38Å; V14-F16 HydrophobicContact CG2-CZ 4.19Å; V14-F16 WeakPolarHBondContact CG2-O 3.03Å; F16-L18 HydrophobicContact CD2-CD2 4.46Å; F16-L18 HydrophobicContact CE2-CD2 3.57Å; F16-L18 HydrophobicContact CE2-CG 4.25Å; F16-L18 HydrophobicContact CZ-CD2 3.64Å; F16-L18 PolarHBondContact O-N 2.82Å; F16-V32 HydrophobicContact CZ-CG2 4.07Å; F16-S35 WeakPolarHBondContact CB-O 3.29Å; F16-K36 HydrophobicContact CB-CB 4.39Å; F16-K36 HydrophobicContact CB-CG 3.94Å; F16-A42 HydrophobicContact CD1-CB 4.29Å; F16-A42 HydrophobicContact CD2-CB 3.76Å; F16-A42 HydrophobicContact CE1-CB 4.3Å; F16-A42 HydrophobicContact CE2-CB 3.74Å; F16-A42 HydrophobicContact CG-CB 4.04Å; F16-A42 HydrophobicContact CZ-CB 4.03Å; F16-Q44 VanDerWaalsContact CE1-CD 3.42Å; F16-Q44 HydrophobicContact CE1-CG 4.35Å; F16-Q44 VanDerWaalsContact CE1-OE1 3.25Å; F16-Q44 HydrophobicContact CZ-CG 4.36Å; F16-Q361 WeakPolarHBondContact O-CG 3.47Å |
| 17 | T | 98.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.2 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | F19 G34 S35 F359 | T17-F19 HydrophobicContact CG2-CD2 4.47Å; T17-F19 HydrophobicContact CG2-CE1 4.34Å; T17-F19 HydrophobicContact CG2-CE2 3.89Å; T17-F19 HydrophobicContact CG2-CZ 3.81Å; T17-G34 CarbonylContact O-C 3.56Å; T17-G34 WeakPolarHBondContact O-CA 3.48Å; T17-S35 PolarHBondContact N-O 3.41Å; T17-S35 PolarHBondContact O-N 3.36Å; T17-F359 HydrophobicContact CG2-CD1 3.79Å; T17-F359 HydrophobicContact CG2-CE1 4.07Å |
| 18 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 136 | 175.7 | -63.9 | 156.5 | 0 | 0 | 0 | 110.1 | V14 F16 V32 C342 V357 F359 I363 | V14-L18 HydrophobicContact CG2-CD1 3.75Å; V14-L18 HydrophobicContact CG2-CD2 4.12Å; V14-L18 HydrophobicContact CG2-CG 3.83Å; F16-L18 HydrophobicContact CD2-CD2 4.46Å; F16-L18 HydrophobicContact CE2-CD2 3.57Å; F16-L18 HydrophobicContact CE2-CG 4.25Å; F16-L18 HydrophobicContact CZ-CD2 3.64Å; F16-L18 PolarHBondContact O-N 2.82Å; L18-V32 HydrophobicContact CD2-CB 3.74Å; L18-V32 HydrophobicContact CD2-CG1 4.3Å; L18-V32 HydrophobicContact CD2-CG2 3.83Å; L18-C342 PolarHBondContact O-SG 2.95Å; L18-C342 VanDerWaalsContact O-SG 3.41Å; L18-V357 HydrophobicContact CB-CB 3.75Å; L18-V357 HydrophobicContact CB-CG1 4.22Å; L18-V357 HydrophobicContact CB-CG2 4.1Å; L18-V357 HydrophobicContact CD1-CB 3.91Å; L18-V357 HydrophobicContact CD1-CG1 3.91Å; L18-V357 HydrophobicContact CD2-CG1 4.22Å; L18-V357 HydrophobicContact CG-CB 4.32Å; L18-V357 HydrophobicContact CG-CG1 4.35Å; L18-F359 VanDerWaalsContact O-CE1 3.31Å; L18-F359 WeakPolarHBondContact O-CE1 3.31Å; L18-I363 HydrophobicContact CD1-CG1 3.68Å; L18-I363 HydrophobicContact CD2-CD1 4.46Å; L18-I363 HydrophobicContact CD2-CG1 4.13Å |
| 19 | F | 98.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -33.3 | 176.2 | -77.9 | -68 | 0 | 0 | 0 | 113.5 | T17 V33 F65 K66 F85 F359 | T17-F19 HydrophobicContact CG2-CD2 4.47Å; T17-F19 HydrophobicContact CG2-CE1 4.34Å; T17-F19 HydrophobicContact CG2-CE2 3.89Å; T17-F19 HydrophobicContact CG2-CZ 3.81Å; F19-V33 PolarHBondContact N-O 2.89Å; F19-F65 WeakPolarHBondContact CD2-O 3.14Å; F19-K66 HydrophobicContact CB-CD 4.29Å; F19-K66 WeakPolarHBondContact CB-O 3.49Å; F19-K66 HydrophobicContact CD1-CD 3.72Å; F19-K66 HydrophobicContact CE1-CD 4.21Å; F19-K66 HydrophobicContact CG-CD 3.99Å; F19-F85 HydrophobicContact CD2-CE2 4.1Å; F19-F85 HydrophobicContact CD2-CZ 4.15Å; F19-F85 HydrophobicContact CE1-CZ 4.38Å; F19-F85 AromaticContact CE2-CE2 3.94Å; F19-F85 HydrophobicContact CE2-CE2 3.94Å; F19-F85 AromaticContact CE2-CZ 3.53Å; F19-F85 HydrophobicContact CE2-CZ 3.53Å; F19-F85 HydrophobicContact CZ-CE2 4.41Å; F19-F85 AromaticContact CZ-CZ 3.67Å; F19-F85 HydrophobicContact CZ-CZ 3.67Å; F19-F359 AromaticContact CD1-CE1 3.74Å; F19-F359 HydrophobicContact CD1-CE1 3.74Å; F19-F359 HydrophobicContact CD1-CZ 4.1Å; F19-F359 AromaticContact CE1-CE1 3.67Å; F19-F359 HydrophobicContact CE1-CE1 3.67Å; F19-F359 AromaticContact CE1-CZ 3.95Å; F19-F359 HydrophobicContact CE1-CZ 3.95Å |
| 20 | D | 98.9 | Very high | 97.5 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.5 | 179.7 | -159.4 | 9.3 | 0 | 0 | 0 | 112.2 | K22 V32 V33 C68 S343 | D20-K22 IonicContact OD1-NZ 3.04Å; D20-K22 PolarHBondContact OD1-NZ 2.85Å; D20-K22 IonicContact OD2-NZ 3.88Å; D20-K22 PolarHBondContact OD2-NZ 3.21Å; D20-V32 WeakPolarHBondContact O-CA 3.48Å; D20-V33 HydrophobicContact CB-CG2 3.81Å; D20-V33 PolarHBondContact N-O 3.1Å; D20-V33 PolarHBondContact O-N 3.16Å; D20-C68 PolarHBondContact OD2-N 3.21Å; D20-S343 WeakPolarHBondContact OD1-CB 3.43Å; D20-S343 PolarHBondContact OD1-OG 2.89Å |
| 21 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.7 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | A31 V32 D345 V355 V357 | C21-A31 CarbonylContact C-O 3.51Å; C21-A31 VanDerWaalsContact CA-O 3.25Å; C21-A31 WeakPolarHBondContact CA-O 3.42Å; C21-V32 HydrophobicContact CB-CG1 3.93Å; C21-D345 WeakPolarHBondContact O-CB 3.41Å; C21-V355 HydrophobicContact CB-CG1 4.13Å; C21-V355 HydrophobicContact CB-CG2 4.32Å; C21-V357 HydrophobicContact CB-CG1 3.83Å; C21-V357 HydrophobicContact CB-CG2 4.25Å |
| 22 | K | 98.8 | Very high | 97.5 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 134 | 178.4 | -66.5 | -68 | 169.5 | -77.5 | 0 | 111.7 | D20 F30 A31 C68 F70 D345 | D20-K22 IonicContact OD1-NZ 3.04Å; D20-K22 PolarHBondContact OD1-NZ 2.85Å; D20-K22 IonicContact OD2-NZ 3.88Å; D20-K22 PolarHBondContact OD2-NZ 3.21Å; K22-F30 CarbonylContact O-C 3.56Å; K22-F30 WeakPolarHBondContact O-CA 3.28Å; K22-F30 WeakPolarHBondContact O-CB 3.14Å; K22-A31 PolarHBondContact N-O 3.13Å; K22-A31 PolarHBondContact O-N 3.37Å; K22-C68 WeakPolarHBondContact CG-O 3.47Å; K22-F70 HydrophobicContact CB-CD2 3.89Å; K22-F70 HydrophobicContact CB-CE2 3.9Å; K22-D345 VanDerWaalsContact CA-OD2 3.31Å; K22-D345 WeakPolarHBondContact CA-OD2 3.49Å; K22-D345 HydrophobicContact CD-CB 4.3Å |
| 23 | W | 98.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.038 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 136.8 | 169.1 | -73.8 | 98.3 | 0 | 0 | 0 | 110.4 | P25 F30 V48 F70 D345 W346 C347 L353 V355 I365 | W23-P25 WeakPolarHBondContact O-CD 3.27Å; W23-F30 HydrophobicContact CD2-CB 4.23Å; W23-F30 HydrophobicContact CE3-CB 4.03Å; W23-F30 HydrophobicContact CH2-CD1 4.38Å; W23-F30 HydrophobicContact CZ3-CB 4.49Å; W23-F30 HydrophobicContact CZ3-CD1 4.17Å; W23-V48 HydrophobicContact CH2-CG2 3.78Å; W23-V48 HydrophobicContact CZ3-CG2 3.97Å; W23-F70 VanDerWaalsContact O-CD2 3.23Å; W23-F70 WeakPolarHBondContact O-CD2 3.45Å; W23-D345 PolarHBondContact N-OD2 2.64Å; W23-D345 PolarHBondContact NE1-O 2.9Å; W23-W346 VanDerWaalsContact CD1-C 3.41Å; W23-C347 HydrophobicContact CD2-CB 4.15Å; W23-C347 HydrophobicContact CG-CB 4.34Å; W23-C347 HydrophobicContact CZ2-CB 4.31Å; W23-L353 HydrophobicContact CH2-CD2 3.75Å; W23-L353 HydrophobicContact CH2-CG 4.06Å; W23-L353 HydrophobicContact CZ2-CD1 4.42Å; W23-L353 HydrophobicContact CZ2-CD2 3.95Å; W23-L353 HydrophobicContact CZ2-CG 3.78Å; W23-V355 HydrophobicContact CZ2-CB 4.23Å; W23-V355 HydrophobicContact CZ2-CG1 4.5Å; W23-I365 HydrophobicContact CH2-CD1 4.46Å |
| 24 | I | 96.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 122.2 | 168.5 | -68.5 | 162.7 | 0 | 0 | 0 | 106.7 | V26 S27 K29 I45 F70 R78 I94 | I24-V26 PolarHBondContact O-N 3.35Å; I24-S27 WeakPolarHBondContact CB-OG 3.29Å; I24-S27 PolarHBondContact O-N 2.95Å; I24-S27 PolarHBondContact O-OG 3.49Å; I24-K29 HydrophobicContact CB-CB 4.3Å; I24-K29 WeakPolarHBondContact CB-O 3.17Å; I24-K29 HydrophobicContact CD1-CB 3.68Å; I24-K29 HydrophobicContact CG1-CB 4.49Å; I24-K29 PolarHBondContact N-O 2.96Å; I24-I45 HydrophobicContact CD1-CD1 4.35Å; I24-I45 HydrophobicContact CD1-CG2 3.57Å; I24-F70 HydrophobicContact CB-CZ 4.42Å; I24-F70 HydrophobicContact CD1-CZ 4.41Å; I24-F70 HydrophobicContact CG1-CE1 4.16Å; I24-F70 HydrophobicContact CG1-CE2 3.77Å; I24-F70 HydrophobicContact CG1-CZ 3.43Å; I24-F70 VanDerWaalsContact CG1-CZ 3.43Å; I24-R78 HydrophobicContact CG2-CB 4.27Å; I24-R78 HydrophobicContact CG2-CG 4.39Å; I24-I94 HydrophobicContact CD1-CD1 3.46Å; I24-I94 VanDerWaalsContact CD1-CD1 3.46Å; I24-I94 HydrophobicContact CG1-CD1 3.65Å; I24-I94 HydrophobicContact CG2-CD1 4.28Å |
| 25 | P | 94.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 7% | 0.071 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 138.1 | -174.4 | -27.8 | 34.7 | 0 | 0 | 0 | 113.2 | W23 S27 F70 L75 R78 L123 | W23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-S27 VanDerWaalsContact C-N 3.33Å; P25-S27 PolarHBondContact O-N 2.88Å; P25-F70 HydrophobicContact CG-CB 3.99Å; P25-F70 HydrophobicContact CG-CG 4.42Å; P25-L75 HydrophobicContact CB-CD2 3.71Å; P25-R78 WeakPolarHBondContact O-CD 3.26Å; P25-L123 HydrophobicContact CB-CD1 4.42Å; P25-L123 HydrophobicContact CB-CD2 3.93Å; P25-L123 HydrophobicContact CG-CD1 3.68Å; P25-L123 HydrophobicContact CG-CD2 3.57Å; P25-L123 HydrophobicContact CG-CG 4.3Å |
| 26 | V | 93.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 20.6 Ų | 20.6 | 58% | 0.582 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 45.4 | 176.2 | -162.5 | 0 | 0 | 0 | 0 | 111.7 | I24 L75 D349 | I24-V26 PolarHBondContact O-N 3.35Å; V26-L75 HydrophobicContact CG2-CD2 3.83Å; V26-D349 WeakPolarHBondContact CA-OD2 3.38Å; V26-D349 PolarHBondContact N-OD2 3.05Å |
| 27 | S | 93.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -153.5 | 168.3 | 179.7 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | I24 P25 K29 | I24-S27 WeakPolarHBondContact CB-OG 3.29Å; I24-S27 PolarHBondContact O-N 2.95Å; I24-S27 PolarHBondContact O-OG 3.49Å; P25-S27 VanDerWaalsContact C-N 3.33Å; P25-S27 PolarHBondContact O-N 2.88Å; S27-K29 PolarHBondContact OG-N 3.25Å; S27-K29 PolarHBondContact OG-O 2.97Å |
| 28 | S | 95.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -86.1 | 7.2 | 167 | 50.7 | 0 | 0 | 0 | 0 | 113 | D47 V48 | S28-D47 VanDerWaalsContact CB-OD1 3.25Å; S28-D47 WeakPolarHBondContact CB-OD1 3.28Å; S28-D47 PolarHBondContact OG-OD1 3.16Å; S28-V48 WeakPolarHBondContact O-CB 3.43Å; S28-V48 WeakPolarHBondContact O-CG2 3.21Å; S28-V48 PolarHBondContact O-N 2.84Å |
| 29 | K | 96.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 34 Ų | 34 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 154.3 | -173.4 | -59.8 | 175.5 | -176.4 | 170.9 | 0 | 111.7 | I24 S27 I45 Y46 D47 | I24-K29 HydrophobicContact CB-CB 4.3Å; I24-K29 WeakPolarHBondContact CB-O 3.17Å; I24-K29 HydrophobicContact CD1-CB 3.68Å; I24-K29 HydrophobicContact CG1-CB 4.49Å; I24-K29 PolarHBondContact N-O 2.96Å; S27-K29 PolarHBondContact OG-N 3.25Å; S27-K29 PolarHBondContact OG-O 2.97Å; K29-I45 HydrophobicContact CB-CG2 4.48Å; K29-Y46 CarbonylContact C-O 3.59Å; K29-Y46 WeakPolarHBondContact CA-O 3.45Å; K29-Y46 VanDerWaalsContact CB-O 3.26Å; K29-Y46 WeakPolarHBondContact CB-O 3.38Å; K29-D47 WeakPolarHBondContact CE-OD2 3.43Å; K29-D47 HydrophobicContact CG-CB 3.88Å |
| 30 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 154.6 | 173.1 | 64.9 | -86.5 | 0 | 0 | 0 | 110.7 | K22 W23 V32 I45 Y46 V48 I53 V355 I363 I365 | K22-F30 CarbonylContact O-C 3.56Å; K22-F30 WeakPolarHBondContact O-CA 3.28Å; K22-F30 WeakPolarHBondContact O-CB 3.14Å; W23-F30 HydrophobicContact CD2-CB 4.23Å; W23-F30 HydrophobicContact CE3-CB 4.03Å; W23-F30 HydrophobicContact CH2-CD1 4.38Å; W23-F30 HydrophobicContact CZ3-CB 4.49Å; W23-F30 HydrophobicContact CZ3-CD1 4.17Å; F30-V32 HydrophobicContact CD2-CG1 3.88Å; F30-V32 HydrophobicContact CE2-CG1 3.69Å; F30-I45 WeakPolarHBondContact O-CA 3.4Å; F30-Y46 HydrophobicContact CE2-CD2 4.01Å; F30-Y46 HydrophobicContact CE2-CG 4.19Å; F30-Y46 VanDerWaalsContact CZ-CB 3.41Å; F30-Y46 HydrophobicContact CZ-CD2 4.22Å; F30-Y46 AromaticContact CZ-CG 3.94Å; F30-Y46 HydrophobicContact CZ-CG 3.94Å; F30-Y46 PolarHBondContact N-O 2.82Å; F30-Y46 PolarHBondContact O-N 2.98Å; F30-V48 HydrophobicContact CD1-CG2 3.67Å; F30-V48 HydrophobicContact CE1-CG2 3.44Å; F30-V48 VanDerWaalsContact CE1-CG2 3.44Å; F30-I53 HydrophobicContact CE1-CB 4.48Å; F30-I53 HydrophobicContact CE1-CG2 4.19Å; F30-I53 HydrophobicContact CZ-CD1 3.79Å; F30-I53 HydrophobicContact CZ-CG2 4.45Å; F30-V355 HydrophobicContact CB-CG1 4.45Å; F30-V355 HydrophobicContact CD2-CB 4.49Å; F30-V355 HydrophobicContact CD2-CG1 4.45Å; F30-V355 HydrophobicContact CD2-CG2 3.83Å; F30-V355 HydrophobicContact CE2-CG2 3.73Å; F30-V355 HydrophobicContact CG-CG1 4.45Å; F30-V355 HydrophobicContact CG-CG2 4.31Å; F30-V355 HydrophobicContact CZ-CG2 4.13Å; F30-I363 HydrophobicContact CE2-CG2 3.63Å; F30-I363 HydrophobicContact CZ-CG2 3.74Å; F30-I365 HydrophobicContact CD1-CD1 4.43Å; F30-I365 HydrophobicContact CE1-CD1 3.81Å; F30-I365 HydrophobicContact CZ-CD1 4.14Å |
| 31 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C21 K22 Q44 I45 F70 L80 | C21-A31 CarbonylContact C-O 3.51Å; C21-A31 VanDerWaalsContact CA-O 3.25Å; C21-A31 WeakPolarHBondContact CA-O 3.42Å; K22-A31 PolarHBondContact N-O 3.13Å; K22-A31 PolarHBondContact O-N 3.37Å; A31-Q44 CarbonylContact C-O 3.5Å; A31-Q44 WeakPolarHBondContact CA-O 3.45Å; A31-I45 HydrophobicContact CB-CD1 3.54Å; A31-F70 HydrophobicContact CB-CE2 4.15Å; A31-F70 HydrophobicContact CB-CZ 4.02Å; A31-L80 HydrophobicContact CB-CD2 4.06Å |
| 32 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145 | 163.2 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | F16 L18 D20 C21 F30 Q44 Y46 V357 I363 | F16-V32 HydrophobicContact CZ-CG2 4.07Å; L18-V32 HydrophobicContact CD2-CB 3.74Å; L18-V32 HydrophobicContact CD2-CG1 4.3Å; L18-V32 HydrophobicContact CD2-CG2 3.83Å; D20-V32 WeakPolarHBondContact O-CA 3.48Å; C21-V32 HydrophobicContact CB-CG1 3.93Å; F30-V32 HydrophobicContact CD2-CG1 3.88Å; F30-V32 HydrophobicContact CE2-CG1 3.69Å; V32-Q44 HydrophobicContact CG2-CB 3.76Å; V32-Q44 PolarHBondContact N-O 2.86Å; V32-Q44 PolarHBondContact O-N 2.9Å; V32-Y46 HydrophobicContact CG2-CD2 4.17Å; V32-Y46 HydrophobicContact CG2-CE2 3.83Å; V32-V357 HydrophobicContact CG1-CG1 4.06Å; V32-I363 HydrophobicContact CG1-CD1 3.96Å; V32-I363 HydrophobicContact CG1-CG1 4.24Å; V32-I363 HydrophobicContact CG1-CG2 4.49Å; V32-I363 HydrophobicContact CG2-CD1 3.97Å |
| 33 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.4 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111 | F19 D20 A42 I43 F65 C68 L80 T82 | F19-V33 PolarHBondContact N-O 2.89Å; D20-V33 HydrophobicContact CB-CG2 3.81Å; D20-V33 PolarHBondContact N-O 3.1Å; D20-V33 PolarHBondContact O-N 3.16Å; V33-A42 VanDerWaalsContact CA-O 3.29Å; V33-A42 WeakPolarHBondContact CA-O 3.45Å; V33-I43 HydrophobicContact CG1-CG1 4.15Å; V33-I43 HydrophobicContact CG1-CG2 4.42Å; V33-F65 HydrophobicContact CB-CB 3.8Å; V33-F65 HydrophobicContact CG2-CB 4.09Å; V33-C68 HydrophobicContact CG1-CB 4.02Å; V33-C68 HydrophobicContact CG2-CB 3.99Å; V33-L80 HydrophobicContact CG1-CD2 4.37Å; V33-T82 HydrophobicContact CG1-CG2 4.39Å |
| 34 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | -161.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T17 G41 A42 F65 | T17-G34 CarbonylContact O-C 3.56Å; T17-G34 WeakPolarHBondContact O-CA 3.48Å; G34-G41 WeakPolarHBondContact O-CA 3.28Å; G34-A42 PolarHBondContact N-O 2.77Å; G34-A42 VanDerWaalsContact N-O 3.09Å; G34-A42 PolarHBondContact O-N 3.15Å; G34-A42 VanDerWaalsContact O-N 3.15Å; G34-F65 PolarHBondContact O-N 2.99Å |
| 35 | S | 98.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.6 | -178.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | F16 T17 S64 | F16-S35 WeakPolarHBondContact CB-O 3.29Å; T17-S35 PolarHBondContact N-O 3.41Å; T17-S35 PolarHBondContact O-N 3.36Å; S35-S64 VanDerWaalsContact CB-OG 3.29Å; S35-S64 WeakPolarHBondContact CB-OG 3.48Å; S35-S64 WeakPolarHBondContact OG-CB 3.46Å; S35-S64 PolarHBondContact OG-OG 3.04Å |
| 36 | K | 98.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | trans | -72.9 | 159.4 | 167.8 | -58.2 | -149.1 | 175.3 | -159.7 | 0 | 110.2 | F16 R38 G39 T40 A42 E58 E60 | F16-K36 HydrophobicContact CB-CB 4.39Å; F16-K36 HydrophobicContact CB-CG 3.94Å; K36-R38 HydrophobicContact CB-CG 4.43Å; K36-R38 PolarHBondContact O-N 3.1Å; K36-R38 VanDerWaalsContact O-N 3.1Å; K36-G39 PolarHBondContact O-N 3.1Å; K36-T40 PolarHBondContact N-O 3.2Å; K36-A42 HydrophobicContact CG-CB 4.22Å; K36-E58 IonicContact NZ-OE1 3.12Å; K36-E58 PolarHBondContact NZ-OE1 2.98Å; K36-E60 IonicContact NZ-OE2 3.79Å | ||
| 37 | P | 97.5 | Very high | 97.2 | Very high | 120 Ų | 120 | 28.2 Ų | 28.2 | 78% | 0.779 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.2 | -178.5 | -28.5 | 36.2 | 0 | 0 | 0 | 115 | G39 | P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.37Å |
| 38 | R | 96.2 | Very high | 97.4 | Very high | 170 Ų | 170 | 28.3 Ų | 28.3 | 64% | 0.642 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 8 | 177 | 61.7 | 172.9 | 164.6 | -97 | 4 | 114.7 | K36 T40 E60 | K36-R38 HydrophobicContact CB-CG 4.43Å; K36-R38 PolarHBondContact O-N 3.1Å; K36-R38 VanDerWaalsContact O-N 3.1Å; R38-T40 VanDerWaalsContact C-N 3.34Å; R38-T40 HydrophobicContact CG-CG2 4.09Å; R38-T40 WeakPolarHBondContact CG-OG1 3.19Å; R38-T40 PolarHBondContact NE-OG1 2.82Å; R38-T40 PolarHBondContact O-N 3.49Å; R38-E60 IonicContact CZ-OE1 3.05Å; R38-E60 IonicContact CZ-OE2 2.71Å; R38-E60 IonicContact NE-OE1 3.39Å; R38-E60 PolarHBondContact NE-OE1 3.24Å; R38-E60 IonicContact NH2-OE1 3.96Å; R38-E60 PolarHBondContact NH2-OE1 2.88Å; R38-E60 IonicContact NH2-OE2 3.78Å; R38-E60 PolarHBondContact NH2-OE2 2.88Å |
| 39 | G | 95.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 40% | 0.402 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 80.4 | 7.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K36 P37 S64 | K36-G39 PolarHBondContact O-N 3.1Å; P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.37Å; G39-S64 PolarHBondContact O-N 2.77Å; G39-S64 PolarHBondContact O-OG 2.84Å; G39-S64 VanDerWaalsContact O-OG 3.11Å |
| 40 | T | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | trans | -84.8 | 151.3 | 172.9 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | K36 R38 E60 K61 | K36-T40 PolarHBondContact N-O 3.2Å; R38-T40 VanDerWaalsContact C-N 3.34Å; R38-T40 HydrophobicContact CG-CG2 4.09Å; R38-T40 WeakPolarHBondContact CG-OG1 3.19Å; R38-T40 PolarHBondContact NE-OG1 2.82Å; R38-T40 PolarHBondContact O-N 3.49Å; T40-E60 WeakPolarHBondContact CB-OE1 3.32Å; T40-E60 WeakPolarHBondContact CG2-OE1 3.04Å; T40-E60 PolarHBondContact OG1-OE1 2.68Å; T40-K61 CarbonylContact C-O 3.47Å; T40-K61 VanDerWaalsContact CA-O 3.28Å; T40-K61 WeakPolarHBondContact CA-O 3.42Å; T40-K61 WeakPolarHBondContact CB-O 3.29Å | ||
| 41 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G34 E60 K61 S63 | G34-G41 WeakPolarHBondContact O-CA 3.28Å; G41-E60 CarbonylContact O-C 3.57Å; G41-E60 VanDerWaalsContact O-CA 3.29Å; G41-E60 WeakPolarHBondContact O-CA 3.49Å; G41-K61 PolarHBondContact N-O 3.11Å; G41-K61 PolarHBondContact O-N 2.87Å; G41-S63 WeakPolarHBondContact CA-O 3.18Å; G41-S63 VanDerWaalsContact N-C 3.29Å; G41-S63 PolarHBondContact N-O 3.09Å |
| 42 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F16 V33 G34 K36 | F16-A42 HydrophobicContact CD1-CB 4.29Å; F16-A42 HydrophobicContact CD2-CB 3.76Å; F16-A42 HydrophobicContact CE1-CB 4.3Å; F16-A42 HydrophobicContact CE2-CB 3.74Å; F16-A42 HydrophobicContact CG-CB 4.04Å; F16-A42 HydrophobicContact CZ-CB 4.03Å; V33-A42 VanDerWaalsContact CA-O 3.29Å; V33-A42 WeakPolarHBondContact CA-O 3.45Å; G34-A42 PolarHBondContact N-O 2.77Å; G34-A42 VanDerWaalsContact N-O 3.09Å; G34-A42 PolarHBondContact O-N 3.15Å; G34-A42 VanDerWaalsContact O-N 3.15Å; K36-A42 HydrophobicContact CG-CB 4.22Å |
| 43 | I | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.4 | 163.3 | -56.4 | 176.1 | 0 | 0 | 0 | 106 | V33 I45 E58 S59 F65 L80 T82 W92 | V33-I43 HydrophobicContact CG1-CG1 4.15Å; V33-I43 HydrophobicContact CG1-CG2 4.42Å; I43-I45 HydrophobicContact CG2-CD1 4.32Å; I43-E58 CarbonylContact O-C 3.57Å; I43-E58 WeakPolarHBondContact O-CA 3.43Å; I43-S59 PolarHBondContact N-O 3.34Å; I43-S59 PolarHBondContact O-N 2.74Å; I43-F65 HydrophobicContact CD1-CD2 4.28Å; I43-F65 HydrophobicContact CD1-CE2 3.68Å; I43-F65 HydrophobicContact CD1-CZ 3.95Å; I43-F65 HydrophobicContact CG1-CD2 3.77Å; I43-F65 HydrophobicContact CG1-CE2 3.54Å; I43-F65 HydrophobicContact CG1-CZ 4.31Å; I43-L80 HydrophobicContact CG2-CD2 3.87Å; I43-T82 HydrophobicContact CD1-CG2 4.29Å; I43-W92 HydrophobicContact CD1-CD2 4.29Å; I43-W92 HydrophobicContact CD1-CG 4.24Å |
| 44 | Q | 96.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.8 | 176.5 | -72.5 | -179 | -8.1 | 0 | 0 | 110.3 | F16 A31 V32 Y46 L55 S57 E58 | F16-Q44 VanDerWaalsContact CE1-CD 3.42Å; F16-Q44 HydrophobicContact CE1-CG 4.35Å; F16-Q44 VanDerWaalsContact CE1-OE1 3.25Å; F16-Q44 HydrophobicContact CZ-CG 4.36Å; A31-Q44 CarbonylContact C-O 3.5Å; A31-Q44 WeakPolarHBondContact CA-O 3.45Å; V32-Q44 HydrophobicContact CG2-CB 3.76Å; V32-Q44 PolarHBondContact N-O 2.86Å; V32-Q44 PolarHBondContact O-N 2.9Å; Q44-Y46 HydrophobicContact CB-CD2 4.27Å; Q44-Y46 HydrophobicContact CB-CE2 3.65Å; Q44-Y46 PolarHBondContact OE1-OH 2.8Å; Q44-L55 HydrophobicContact CB-CD1 3.76Å; Q44-L55 HydrophobicContact CG-CD1 3.93Å; Q44-S57 WeakPolarHBondContact CA-O 3.4Å; Q44-E58 HydrophobicContact CG-CB 3.97Å; Q44-E58 HydrophobicContact CG-CG 3.7Å; Q44-E58 PolarHBondContact NE2-OE1 3.4Å |
| 45 | I | 96.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.6 | 178.3 | -51 | -55.4 | 0 | 0 | 0 | 108.5 | I24 K29 F30 A31 I43 I56 S57 I94 | I24-I45 HydrophobicContact CD1-CD1 4.35Å; I24-I45 HydrophobicContact CD1-CG2 3.57Å; K29-I45 HydrophobicContact CB-CG2 4.48Å; F30-I45 WeakPolarHBondContact O-CA 3.4Å; A31-I45 HydrophobicContact CB-CD1 3.54Å; I43-I45 HydrophobicContact CG2-CD1 4.32Å; I45-I56 PolarHBondContact O-N 3.04Å; I45-S57 PolarHBondContact N-O 3.16Å; I45-S57 PolarHBondContact O-N 3.34Å; I45-I94 HydrophobicContact CD1-CB 4.4Å; I45-I94 HydrophobicContact CD1-CD1 4.47Å; I45-I94 HydrophobicContact CD1-CG2 4.22Å |
| 46 | Y | 97.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.8 | 179.8 | -73.7 | -87.5 | 0 | 0 | 0 | 111 | K12 K29 F30 V32 Q44 I53 Q54 L55 I363 | K12-Y46 HydrophobicContact CD-CD1 4.45Å; K12-Y46 HydrophobicContact CD-CE1 3.77Å; K29-Y46 CarbonylContact C-O 3.59Å; K29-Y46 WeakPolarHBondContact CA-O 3.45Å; K29-Y46 VanDerWaalsContact CB-O 3.26Å; K29-Y46 WeakPolarHBondContact CB-O 3.38Å; F30-Y46 HydrophobicContact CE2-CD2 4.01Å; F30-Y46 HydrophobicContact CE2-CG 4.19Å; F30-Y46 VanDerWaalsContact CZ-CB 3.41Å; F30-Y46 HydrophobicContact CZ-CD2 4.22Å; F30-Y46 AromaticContact CZ-CG 3.94Å; F30-Y46 HydrophobicContact CZ-CG 3.94Å; F30-Y46 PolarHBondContact N-O 2.82Å; F30-Y46 PolarHBondContact O-N 2.98Å; V32-Y46 HydrophobicContact CG2-CD2 4.17Å; V32-Y46 HydrophobicContact CG2-CE2 3.83Å; Q44-Y46 HydrophobicContact CB-CD2 4.27Å; Q44-Y46 HydrophobicContact CB-CE2 3.65Å; Q44-Y46 PolarHBondContact OE1-OH 2.8Å; Y46-I53 HydrophobicContact CD1-CB 4.38Å; Y46-I53 HydrophobicContact CD1-CD1 4.2Å; Y46-I53 HydrophobicContact CD1-CG1 4.12Å; Y46-I53 HydrophobicContact CG-CD1 4.5Å; Y46-Q54 CarbonylContact C-O 3.5Å; Y46-Q54 WeakPolarHBondContact CA-O 3.48Å; Y46-Q54 WeakPolarHBondContact CD1-O 3.33Å; Y46-L55 HydrophobicContact CD1-CB 4.18Å; Y46-L55 HydrophobicContact CD1-CD1 4.44Å; Y46-L55 HydrophobicContact CD2-CD1 4.45Å; Y46-L55 HydrophobicContact CE1-CB 3.72Å; Y46-L55 HydrophobicContact CE1-CD1 3.97Å; Y46-L55 HydrophobicContact CE1-CG 4.44Å; Y46-L55 HydrophobicContact CE2-CD1 4Å; Y46-I363 HydrophobicContact CD2-CD1 3.98Å; Y46-I363 HydrophobicContact CE2-CD1 3.42Å; Y46-I363 VanDerWaalsContact CE2-CD1 3.42Å |
| 47 | D | 97 | Very high | 96 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.7 | 167.2 | -154.6 | -22.5 | 0 | 0 | 0 | 110 | S28 K29 I53 Q54 I56 | S28-D47 VanDerWaalsContact CB-OD1 3.25Å; S28-D47 WeakPolarHBondContact CB-OD1 3.28Å; S28-D47 PolarHBondContact OG-OD1 3.16Å; K29-D47 WeakPolarHBondContact CE-OD2 3.43Å; K29-D47 HydrophobicContact CG-CB 3.88Å; D47-I53 CarbonylContact O-C 3.57Å; D47-I53 VanDerWaalsContact O-CA 3.31Å; D47-I53 WeakPolarHBondContact O-CA 3.29Å; D47-Q54 PolarHBondContact N-O 2.89Å; D47-Q54 PolarHBondContact O-N 2.87Å; D47-I56 HydrophobicContact CB-CD1 3.77Å; D47-I56 HydrophobicContact CB-CG1 3.66Å |
| 48 | V | 97.4 | Very high | 95.7 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.8 | -178 | -177 | 0 | 0 | 0 | 0 | 110.1 | W23 S28 F30 I53 I365 | W23-V48 HydrophobicContact CH2-CG2 3.78Å; W23-V48 HydrophobicContact CZ3-CG2 3.97Å; S28-V48 WeakPolarHBondContact O-CB 3.43Å; S28-V48 WeakPolarHBondContact O-CG2 3.21Å; S28-V48 PolarHBondContact O-N 2.84Å; F30-V48 HydrophobicContact CD1-CG2 3.67Å; F30-V48 HydrophobicContact CE1-CG2 3.44Å; F30-V48 VanDerWaalsContact CE1-CG2 3.44Å; V48-I53 HydrophobicContact CB-CG2 4.37Å; V48-I53 HydrophobicContact CG1-CG2 4.3Å; V48-I53 HydrophobicContact CG2-CG2 3.85Å; V48-I365 HydrophobicContact CG1-CG1 4.47Å; V48-I365 HydrophobicContact CG2-CD1 3.88Å; V48-I365 HydrophobicContact CG2-CG1 4.37Å |
| 49 | S | 94.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | trans | -104.4 | 174.5 | 165.5 | 77.8 | 0 | 0 | 0 | 0 | 110.5 | K51 D52 | S49-K51 PolarHBondContact O-N 3.47Å; S49-K51 PolarHBondContact OG-N 2.83Å; S49-D52 WeakPolarHBondContact CA-O 3.47Å; S49-D52 WeakPolarHBondContact CB-O 3.19Å; S49-D52 PolarHBondContact N-O 2.81Å; S49-D52 PolarHBondContact OG-N 2.85Å; S49-D52 VanDerWaalsContact OG-N 3.09Å; S49-D52 PolarHBondContact OG-O 3.39Å | ||
| 50 | A | 91.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 69% | 0.694 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -61.1 | -26.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H9 | H9-A50 PolarHBondContact NE2-O 2.97Š|
| 51 | K | 92.6 | Very high | 95.4 | Very high | 192 Ų | 192 | 46.3 Ų | 46.3 | 84% | 0.835 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -115.9 | -19.1 | -171.8 | -64.8 | -174.3 | 179.7 | -178.6 | 0 | 114.4 | S49 | S49-K51 PolarHBondContact O-N 3.47Å; S49-K51 PolarHBondContact OG-N 2.83Å |
| 52 | D | 96.3 | Very high | 95.3 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | trans | -160.3 | 167.5 | -173.6 | -165.5 | 15.1 | 0 | 0 | 0 | 111.5 | S49 | S49-D52 WeakPolarHBondContact CA-O 3.47Å; S49-D52 WeakPolarHBondContact CB-O 3.19Å; S49-D52 PolarHBondContact N-O 2.81Å; S49-D52 PolarHBondContact OG-N 2.85Å; S49-D52 VanDerWaalsContact OG-N 3.09Å; S49-D52 PolarHBondContact OG-O 3.39Å | ||
| 53 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.9 | 167.8 | 67.3 | 177.4 | 0 | 0 | 0 | 110.5 | I10 K12 F30 Y46 D47 V48 I363 I365 | I10-I53 HydrophobicContact CD1-CG2 4.14Å; I10-I53 HydrophobicContact CG2-CG1 4.36Å; I10-I53 HydrophobicContact CG2-CG2 4.14Å; K12-I53 HydrophobicContact CB-CD1 3.71Å; K12-I53 HydrophobicContact CB-CG1 3.99Å; K12-I53 HydrophobicContact CD-CD1 3.81Å; K12-I53 HydrophobicContact CD-CG1 3.55Å; K12-I53 HydrophobicContact CG-CD1 4.42Å; K12-I53 HydrophobicContact CG-CG1 4.41Å; K12-I53 PolarHBondContact NZ-O 2.89Å; K12-I53 VanDerWaalsContact NZ-O 3.16Å; F30-I53 HydrophobicContact CE1-CB 4.48Å; F30-I53 HydrophobicContact CE1-CG2 4.19Å; F30-I53 HydrophobicContact CZ-CD1 3.79Å; F30-I53 HydrophobicContact CZ-CG2 4.45Å; Y46-I53 HydrophobicContact CD1-CB 4.38Å; Y46-I53 HydrophobicContact CD1-CD1 4.2Å; Y46-I53 HydrophobicContact CD1-CG1 4.12Å; Y46-I53 HydrophobicContact CG-CD1 4.5Å; D47-I53 CarbonylContact O-C 3.57Å; D47-I53 VanDerWaalsContact O-CA 3.31Å; D47-I53 WeakPolarHBondContact O-CA 3.29Å; V48-I53 HydrophobicContact CB-CG2 4.37Å; V48-I53 HydrophobicContact CG1-CG2 4.3Å; V48-I53 HydrophobicContact CG2-CG2 3.85Å; I53-I363 HydrophobicContact CD1-CB 4.16Å; I53-I363 HydrophobicContact CD1-CG2 3.83Å; I53-I365 HydrophobicContact CG2-CD1 4.11Å; I53-I365 HydrophobicContact CG2-CG1 3.64Å |
| 54 | Q | 96.9 | Very high | 95.3 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | -175.4 | -65.7 | -178.4 | -9 | 0 | 0 | 110.2 | Y46 D47 I56 | Y46-Q54 CarbonylContact C-O 3.5Å; Y46-Q54 WeakPolarHBondContact CA-O 3.48Å; Y46-Q54 WeakPolarHBondContact CD1-O 3.33Å; D47-Q54 PolarHBondContact N-O 2.89Å; D47-Q54 PolarHBondContact O-N 2.87Å; Q54-I56 HydrophobicContact CB-CD1 4.44Å; Q54-I56 PolarHBondContact O-N 2.88Å |
| 55 | L | 95.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.2 | 173.8 | -179.3 | 66.1 | 0 | 0 | 0 | 108.6 | Q44 Y46 S57 E58 | Q44-L55 HydrophobicContact CB-CD1 3.76Å; Q44-L55 HydrophobicContact CG-CD1 3.93Å; Y46-L55 HydrophobicContact CD1-CB 4.18Å; Y46-L55 HydrophobicContact CD1-CD1 4.44Å; Y46-L55 HydrophobicContact CD2-CD1 4.45Å; Y46-L55 HydrophobicContact CE1-CB 3.72Å; Y46-L55 HydrophobicContact CE1-CD1 3.97Å; Y46-L55 HydrophobicContact CE1-CG 4.44Å; Y46-L55 HydrophobicContact CE2-CD1 4Å; L55-S57 WeakPolarHBondContact CD1-O 3.22Å; L55-E58 HydrophobicContact CD1-CB 4.47Å; L55-E58 HydrophobicContact CD2-CB 4.37Å |
| 56 | I | 93.7 | Very high | 95.6 | Very high | 74 Ų | 74 | 54.7 Ų | 54.7 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -38.8 | -179.2 | -57.3 | -55.1 | 0 | 0 | 0 | 111.3 | I45 D47 Q54 | I45-I56 PolarHBondContact O-N 3.04Å; D47-I56 HydrophobicContact CB-CD1 3.77Å; D47-I56 HydrophobicContact CB-CG1 3.66Å; Q54-I56 HydrophobicContact CB-CD1 4.44Å; Q54-I56 PolarHBondContact O-N 2.88Å |
| 57 | S | 92.4 | Very high | 95.6 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.3 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | Q44 I45 L55 L100 | Q44-S57 WeakPolarHBondContact CA-O 3.4Å; I45-S57 PolarHBondContact N-O 3.16Å; I45-S57 PolarHBondContact O-N 3.34Å; L55-S57 WeakPolarHBondContact CD1-O 3.22Å; S57-L100 WeakPolarHBondContact OG-CD1 3.25Å |
| 58 | E | 92.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.1 | 173.7 | 176 | 171.5 | -159.1 | 0 | 0 | 108.9 | K36 I43 Q44 L55 | K36-E58 IonicContact NZ-OE1 3.12Å; K36-E58 PolarHBondContact NZ-OE1 2.98Å; I43-E58 CarbonylContact O-C 3.57Å; I43-E58 WeakPolarHBondContact O-CA 3.43Å; Q44-E58 HydrophobicContact CG-CB 3.97Å; Q44-E58 HydrophobicContact CG-CG 3.7Å; Q44-E58 PolarHBondContact NE2-OE1 3.4Å; L55-E58 HydrophobicContact CD1-CB 4.47Å; L55-E58 HydrophobicContact CD2-CB 4.37Å |
| 59 | S | 93 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.9 | 168.1 | -162 | 0 | 0 | 0 | 0 | 110.8 | I43 K61 | I43-S59 PolarHBondContact N-O 3.34Å; I43-S59 PolarHBondContact O-N 2.74Å; S59-K61 WeakPolarHBondContact OG-CE 3.49Å; S59-K61 PolarHBondContact OG-NZ 3.36Å |
| 60 | E | 94.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.6 | 176.2 | -172.3 | 171.6 | 158.6 | 0 | 0 | 110.9 | K36 R38 T40 G41 | K36-E60 IonicContact NZ-OE2 3.79Å; R38-E60 IonicContact CZ-OE1 3.05Å; R38-E60 IonicContact CZ-OE2 2.71Å; R38-E60 IonicContact NE-OE1 3.39Å; R38-E60 PolarHBondContact NE-OE1 3.24Å; R38-E60 IonicContact NH2-OE1 3.96Å; R38-E60 PolarHBondContact NH2-OE1 2.88Å; R38-E60 IonicContact NH2-OE2 3.78Å; R38-E60 PolarHBondContact NH2-OE2 2.88Å; T40-E60 WeakPolarHBondContact CB-OE1 3.32Å; T40-E60 WeakPolarHBondContact CG2-OE1 3.04Å; T40-E60 PolarHBondContact OG1-OE1 2.68Å; G41-E60 CarbonylContact O-C 3.57Å; G41-E60 VanDerWaalsContact O-CA 3.29Å; G41-E60 WeakPolarHBondContact O-CA 3.49Å |
| 61 | K | 95.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 47 Ų | 47 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158.7 | -175.6 | -56 | -62.2 | 164 | -155.9 | 0 | 111.4 | T40 G41 S59 S63 F65 W92 L100 D101 | T40-K61 CarbonylContact C-O 3.47Å; T40-K61 VanDerWaalsContact CA-O 3.28Å; T40-K61 WeakPolarHBondContact CA-O 3.42Å; T40-K61 WeakPolarHBondContact CB-O 3.29Å; G41-K61 PolarHBondContact N-O 3.11Å; G41-K61 PolarHBondContact O-N 2.87Å; S59-K61 WeakPolarHBondContact OG-CE 3.49Å; S59-K61 PolarHBondContact OG-NZ 3.36Å; K61-S63 PolarHBondContact O-N 2.85Å; K61-S63 VanDerWaalsContact O-N 3.1Å; K61-F65 HydrophobicContact CB-CE2 3.85Å; K61-F65 HydrophobicContact CB-CZ 3.91Å; K61-F65 HydrophobicContact CG-CE2 3.74Å; K61-F65 HydrophobicContact CG-CZ 3.78Å; K61-W92 HydrophobicContact CD-CH2 3.88Å; K61-W92 HydrophobicContact CD-CZ3 4.11Å; K61-W92 HydrophobicContact CG-CH2 4.23Å; K61-L100 WeakPolarHBondContact CE-O 3.38Å; K61-L100 PolarHBondContact NZ-O 2.99Å; K61-D101 PolarHBondContact NZ-O 3.18Å |
| 62 | S | 94.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 71% | 0.713 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -64.9 | -15.4 | -174.6 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 63 | S | 97.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -136.4 | 143.5 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | G41 K61 N86 | G41-S63 WeakPolarHBondContact CA-O 3.18Å; G41-S63 VanDerWaalsContact N-C 3.29Å; G41-S63 PolarHBondContact N-O 3.09Å; K61-S63 PolarHBondContact O-N 2.85Å; K61-S63 VanDerWaalsContact O-N 3.1Å; S63-N86 WeakPolarHBondContact CB-ND2 3.06Å; S63-N86 PolarHBondContact OG-N 3.32Å |
| 64 | S | 98.6 | Very high | 96 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | trans | -56.7 | 148.1 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 114 | S35 G39 A84 F85 | S35-S64 VanDerWaalsContact CB-OG 3.29Å; S35-S64 WeakPolarHBondContact CB-OG 3.48Å; S35-S64 WeakPolarHBondContact OG-CB 3.46Å; S35-S64 PolarHBondContact OG-OG 3.04Å; G39-S64 PolarHBondContact O-N 2.77Å; G39-S64 PolarHBondContact O-OG 2.84Å; G39-S64 VanDerWaalsContact O-OG 3.11Å; S64-A84 CarbonylContact O-C 3.52Å; S64-A84 VanDerWaalsContact O-CA 3.29Å; S64-A84 WeakPolarHBondContact O-CA 3.29Å; S64-A84 WeakPolarHBondContact O-CB 3.45Å; S64-F85 WeakPolarHBondContact O-CD2 3.29Å; S64-F85 PolarHBondContact O-N 2.85Å | ||
| 65 | F | 98.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136 | 175.4 | -64.8 | -66.3 | 0 | 0 | 0 | 111 | F19 V33 G34 I43 K61 T82 A84 W92 | F19-F65 WeakPolarHBondContact CD2-O 3.14Å; V33-F65 HydrophobicContact CB-CB 3.8Å; V33-F65 HydrophobicContact CG2-CB 4.09Å; G34-F65 PolarHBondContact O-N 2.99Å; I43-F65 HydrophobicContact CD1-CD2 4.28Å; I43-F65 HydrophobicContact CD1-CE2 3.68Å; I43-F65 HydrophobicContact CD1-CZ 3.95Å; I43-F65 HydrophobicContact CG1-CD2 3.77Å; I43-F65 HydrophobicContact CG1-CE2 3.54Å; I43-F65 HydrophobicContact CG1-CZ 4.31Å; K61-F65 HydrophobicContact CB-CE2 3.85Å; K61-F65 HydrophobicContact CB-CZ 3.91Å; K61-F65 HydrophobicContact CG-CE2 3.74Å; K61-F65 HydrophobicContact CG-CZ 3.78Å; F65-T82 HydrophobicContact CD1-CG2 4.2Å; F65-T82 HydrophobicContact CE1-CG2 4.34Å; F65-T82 WeakPolarHBondContact CE1-OG1 3.08Å; F65-A84 HydrophobicContact CD1-CB 4.08Å; F65-A84 HydrophobicContact CE1-CB 4.24Å; F65-W92 HydrophobicContact CE1-CZ2 4.23Å; F65-W92 AromaticContact CZ-CZ2 3.85Å; F65-W92 HydrophobicContact CZ-CZ2 3.85Å |
| 66 | K | 98.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -32.6 | -178.5 | -177.3 | 54.3 | 176.9 | 168.2 | 0 | 112.8 | F19 G83 F85 I113 I114 | F19-K66 HydrophobicContact CB-CD 4.29Å; F19-K66 WeakPolarHBondContact CB-O 3.49Å; F19-K66 HydrophobicContact CD1-CD 3.72Å; F19-K66 HydrophobicContact CE1-CD 4.21Å; F19-K66 HydrophobicContact CG-CD 3.99Å; K66-G83 PolarHBondContact N-O 2.95Å; K66-F85 HydrophobicContact CB-CD2 3.93Å; K66-F85 HydrophobicContact CB-CE2 3.63Å; K66-F85 HydrophobicContact CD-CE2 4.04Å; K66-F85 HydrophobicContact CD-CZ 4.35Å; K66-F85 HydrophobicContact CG-CE2 4.29Å; K66-I113 HydrophobicContact CB-CD1 4.15Å; K66-I113 HydrophobicContact CB-CG1 4.32Å; K66-I113 HydrophobicContact CD-CD1 4.29Å; K66-I113 HydrophobicContact CG-CD1 4.01Å; K66-I113 HydrophobicContact CG-CG1 4.34Å; K66-I114 VanDerWaalsContact CB-O 3.3Å; K66-I114 WeakPolarHBondContact CB-O 3.4Å; K66-I114 WeakPolarHBondContact CG-O 3.45Å |
| 67 | C | 98.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 155.7 | -173.1 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | T82 G83 A116 I117 | C67-T82 WeakPolarHBondContact O-CA 3.25Å; C67-G83 PolarHBondContact O-N 2.86Å; C67-A116 VanDerWaalsContact SG-C 3.56Å; C67-I117 HydrophobicContact CB-CB 4.4Å; C67-I117 HydrophobicContact CB-CG2 3.69Å; C67-I117 VanDerWaalsContact SG-CG2 3.55Å; C67-I117 PolarHBondContact SG-N 3.02Å |
| 68 | C | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.9 | 177.5 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | D20 K22 V33 L80 A81 T82 | D20-C68 PolarHBondContact OD2-N 3.21Å; K22-C68 WeakPolarHBondContact CG-O 3.47Å; V33-C68 HydrophobicContact CG1-CB 4.02Å; V33-C68 HydrophobicContact CG2-CB 3.99Å; C68-L80 HydrophobicContact CB-CD1 3.69Å; C68-L80 HydrophobicContact CB-CG 4.34Å; C68-A81 CarbonylContact C-O 3.47Å; C68-A81 WeakPolarHBondContact CA-O 3.37Å; C68-A81 VanDerWaalsContact CB-O 3.3Å; C68-A81 WeakPolarHBondContact CB-O 3.39Å; C68-T82 HydrophobicContact CB-CG2 4.07Å |
| 69 | T | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 149 | 176.4 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | S71 A81 I117 | T69-S71 PolarHBondContact OG1-N 2.96Å; T69-S71 VanDerWaalsContact OG1-N 3.12Å; T69-S71 PolarHBondContact OG1-OG 3.07Å; T69-A81 HydrophobicContact CG2-CB 4.02Å; T69-A81 PolarHBondContact N-O 2.93Å; T69-A81 PolarHBondContact O-N 2.81Å; T69-I117 HydrophobicContact CG2-CD1 4.08Å; T69-I117 HydrophobicContact CG2-CG1 3.95Å; T69-I117 HydrophobicContact CG2-CG2 4.14Å |
| 70 | F | 97.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -100.5 | -7.1 | 169.2 | -68.7 | -75.5 | 0 | 0 | 0 | 112.8 | K22 W23 I24 P25 A31 A72 S73 R78 H79 L80 I94 L123 | K22-F70 HydrophobicContact CB-CD2 3.89Å; K22-F70 HydrophobicContact CB-CE2 3.9Å; W23-F70 VanDerWaalsContact O-CD2 3.23Å; W23-F70 WeakPolarHBondContact O-CD2 3.45Å; I24-F70 HydrophobicContact CB-CZ 4.42Å; I24-F70 HydrophobicContact CD1-CZ 4.41Å; I24-F70 HydrophobicContact CG1-CE1 4.16Å; I24-F70 HydrophobicContact CG1-CE2 3.77Å; I24-F70 HydrophobicContact CG1-CZ 3.43Å; I24-F70 VanDerWaalsContact CG1-CZ 3.43Å; P25-F70 HydrophobicContact CG-CB 3.99Å; P25-F70 HydrophobicContact CG-CG 4.42Å; A31-F70 HydrophobicContact CB-CE2 4.15Å; A31-F70 HydrophobicContact CB-CZ 4.02Å; F70-A72 PolarHBondContact O-N 3.2Å; F70-S73 PolarHBondContact O-N 3.35Å; F70-R78 WeakPolarHBondContact CD1-O 3.48Å; F70-R78 WeakPolarHBondContact CE1-O 3.34Å; F70-H79 WeakPolarHBondContact CD1-O 3.48Å; F70-L80 HydrophobicContact CD1-CB 4.3Å; F70-L80 HydrophobicContact CD1-CD1 4.27Å; F70-L80 HydrophobicContact CD2-CD1 4.25Å; F70-L80 HydrophobicContact CE1-CB 3.65Å; F70-L80 HydrophobicContact CE1-CD1 3.84Å; F70-L80 HydrophobicContact CE1-CG 4.31Å; F70-L80 HydrophobicContact CE2-CD1 3.83Å; F70-L80 HydrophobicContact CG-CD1 4.45Å; F70-L80 HydrophobicContact CZ-CB 4.07Å; F70-L80 HydrophobicContact CZ-CD1 3.61Å; F70-L80 HydrophobicContact CZ-CG 4.28Å; F70-I94 HydrophobicContact CE1-CD1 3.49Å; F70-I94 VanDerWaalsContact CE1-CD1 3.49Å; F70-I94 HydrophobicContact CE1-CG1 4.22Å; F70-I94 HydrophobicContact CZ-CD1 3.7Å; F70-L123 HydrophobicContact CB-CD1 4.5Å | ||
| 71 | S | 97.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.3 | -162.5 | -60.7 | 0 | 0 | 0 | 0 | 115.3 | T69 G119 V120 G122 | T69-S71 PolarHBondContact OG1-N 2.96Å; T69-S71 VanDerWaalsContact OG1-N 3.12Å; T69-S71 PolarHBondContact OG1-OG 3.07Å; S71-G119 WeakPolarHBondContact CB-O 3.15Å; S71-V120 CarbonylContact O-C 3.58Å; S71-G122 WeakPolarHBondContact O-CA 3.22Å; S71-G122 PolarHBondContact O-N 2.9Å |
| 72 | A | 96.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F70 P130 E131 I132 | F70-A72 PolarHBondContact O-N 3.2Å; A72-P130 WeakPolarHBondContact O-CB 3.26Å; A72-E131 WeakPolarHBondContact CB-O 3.46Å; A72-I132 HydrophobicContact CB-CD1 4.03Å; A72-I132 HydrophobicContact CB-CG1 3.36Å |
| 73 | S | 95.2 | Very high | 96 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -94.2 | 142.7 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | F70 R78 H79 G122 L123 | F70-S73 PolarHBondContact O-N 3.35Å; S73-R78 PolarHBondContact OG-N 2.95Å; S73-R78 VanDerWaalsContact OG-N 3.16Å; S73-H79 WeakPolarHBondContact CB-O 3.41Å; S73-H79 PolarHBondContact OG-N 3.03Å; S73-G122 CarbonylContact O-C 3.57Å; S73-G122 WeakPolarHBondContact O-CA 3.25Å; S73-L123 WeakPolarHBondContact O-CD2 3.45Å |
| 74 | M | 91.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 31.8 Ų | 31.8 | 46% | 0.463 | 17% | 0.166 | S | C | . | . | trans | -68.1 | 151.4 | 170.5 | -58.5 | -59.4 | -119.3 | 0 | 0 | 111.5 | Q77 R78 G122 P130 | M74-Q77 PolarHBondContact O-N 2.83Å; M74-R78 PolarHBondContact O-N 3.01Å; M74-G122 WeakPolarHBondContact CA-O 3.29Å; M74-P130 HydrophobicContact SD-CG 4.47Å | ||
| 75 | L | 89.4 | Confident | 96.1 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 42% | 0.424 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.7 | -177.1 | -75.9 | 175.1 | 0 | 0 | 0 | 115.8 | P25 V26 Q77 R78 L123 | P25-L75 HydrophobicContact CB-CD2 3.71Å; V26-L75 HydrophobicContact CG2-CD2 3.83Å; L75-Q77 PolarHBondContact O-N 2.86Å; L75-R78 WeakPolarHBondContact O-CG 3.31Å; L75-L123 HydrophobicContact CD2-CD2 3.71Å; L75-L123 HydrophobicContact CG-CD2 4.26Å |
| 76 | P | 88.2 | Confident | 96.1 | Very high | 117 Ų | 117 | 37.9 Ų | 37.9 | 76% | 0.76 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.7 | 175.7 | -24.1 | 36 | 0 | 0 | 0 | 112.6 | ||
| 77 | Q | 90 | Very high | 96.1 | Very high | 102 Ų | 102 | 35.2 Ų | 35.2 | 48% | 0.477 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -43.8 | -171.5 | -79.8 | 173.8 | -14.7 | 0 | 0 | 113 | M74 L75 H79 | M74-Q77 PolarHBondContact O-N 2.83Å; L75-Q77 PolarHBondContact O-N 2.86Å; Q77-H79 VanDerWaalsContact C-ND1 3.34Å; Q77-H79 VanDerWaalsContact CB-CE1 3.43Å; Q77-H79 WeakPolarHBondContact CB-CE1 3.41Å; Q77-H79 WeakPolarHBondContact CB-ND1 3.43Å; Q77-H79 PolarHBondContact O-N 3.15Å; Q77-H79 VanDerWaalsContact O-N 3.11Å; Q77-H79 PolarHBondContact O-ND1 3.19Å |
| 78 | R | 92.8 | Very high | 96 | Very high | 96 Ų | 96 | 39.1 Ų | 39.1 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | trans | 46.4 | 39.8 | -178.5 | -61.1 | 168.2 | -65 | -179.1 | -1 | 113.6 | I24 P25 F70 S73 M74 L75 I94 | I24-R78 HydrophobicContact CG2-CB 4.27Å; I24-R78 HydrophobicContact CG2-CG 4.39Å; P25-R78 WeakPolarHBondContact O-CD 3.26Å; F70-R78 WeakPolarHBondContact CD1-O 3.48Å; F70-R78 WeakPolarHBondContact CE1-O 3.34Å; S73-R78 PolarHBondContact OG-N 2.95Å; S73-R78 VanDerWaalsContact OG-N 3.16Å; M74-R78 PolarHBondContact O-N 3.01Å; L75-R78 WeakPolarHBondContact O-CG 3.31Å; R78-I94 WeakPolarHBondContact O-CG1 3.35Å | ||
| 79 | H | 95.1 | Very high | 96 | Very high | 31 Ų | 31 | 39 Ų | 39 | 14% | 0.144 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 138.9 | 179.2 | -61.6 | 2.2 | 0 | 0 | 0 | 111 | F70 S73 Q77 I91 W92 I104 | F70-H79 WeakPolarHBondContact CD1-O 3.48Å; S73-H79 WeakPolarHBondContact CB-O 3.41Å; S73-H79 PolarHBondContact OG-N 3.03Å; Q77-H79 VanDerWaalsContact C-ND1 3.34Å; Q77-H79 VanDerWaalsContact CB-CE1 3.43Å; Q77-H79 WeakPolarHBondContact CB-CE1 3.41Å; Q77-H79 WeakPolarHBondContact CB-ND1 3.43Å; Q77-H79 PolarHBondContact O-N 3.15Å; Q77-H79 VanDerWaalsContact O-N 3.11Å; Q77-H79 PolarHBondContact O-ND1 3.19Å; H79-I91 HydrophobicContact CB-CG2 3.59Å; H79-W92 CarbonylContact C-O 3.6Å; H79-W92 VanDerWaalsContact CA-O 3.28Å; H79-W92 WeakPolarHBondContact CA-O 3.33Å; H79-W92 WeakPolarHBondContact CB-O 3.43Å; H79-I104 WeakPolarHBondContact CD2-CD1 3.31Å; H79-I104 WeakPolarHBondContact NE2-CD1 3.38Å |
| 80 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.9 | -179.3 | -179.1 | 61.1 | 0 | 0 | 0 | 109.8 | A31 V33 I43 C68 F70 T82 I91 W92 I94 | A31-L80 HydrophobicContact CB-CD2 4.06Å; V33-L80 HydrophobicContact CG1-CD2 4.37Å; I43-L80 HydrophobicContact CG2-CD2 3.87Å; C68-L80 HydrophobicContact CB-CD1 3.69Å; C68-L80 HydrophobicContact CB-CG 4.34Å; F70-L80 HydrophobicContact CD1-CB 4.3Å; F70-L80 HydrophobicContact CD1-CD1 4.27Å; F70-L80 HydrophobicContact CD2-CD1 4.25Å; F70-L80 HydrophobicContact CE1-CB 3.65Å; F70-L80 HydrophobicContact CE1-CD1 3.84Å; F70-L80 HydrophobicContact CE1-CG 4.31Å; F70-L80 HydrophobicContact CE2-CD1 3.83Å; F70-L80 HydrophobicContact CG-CD1 4.45Å; F70-L80 HydrophobicContact CZ-CB 4.07Å; F70-L80 HydrophobicContact CZ-CD1 3.61Å; F70-L80 HydrophobicContact CZ-CG 4.28Å; L80-T82 HydrophobicContact CD2-CG2 4.15Å; L80-T82 HydrophobicContact CG-CG2 4.03Å; L80-I91 CarbonylContact O-C 3.51Å; L80-I91 VanDerWaalsContact O-CA 3.32Å; L80-I91 WeakPolarHBondContact O-CA 3.2Å; L80-W92 PolarHBondContact N-O 3.11Å; L80-W92 VanDerWaalsContact O-CD1 3.23Å; L80-W92 PolarHBondContact O-N 2.81Å; L80-I94 HydrophobicContact CB-CG2 3.77Å; L80-I94 HydrophobicContact CD2-CG2 4.27Å |
| 81 | A | 98.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | C68 T69 A90 I91 I117 I132 | C68-A81 CarbonylContact C-O 3.47Å; C68-A81 WeakPolarHBondContact CA-O 3.37Å; C68-A81 VanDerWaalsContact CB-O 3.3Å; C68-A81 WeakPolarHBondContact CB-O 3.39Å; T69-A81 HydrophobicContact CG2-CB 4.02Å; T69-A81 PolarHBondContact N-O 2.93Å; T69-A81 PolarHBondContact O-N 2.81Å; A81-A90 CarbonylContact C-O 3.59Å; A81-A90 WeakPolarHBondContact CA-O 3.33Å; A81-I91 HydrophobicContact CB-CG1 4.19Å; A81-I117 HydrophobicContact CB-CD1 3.85Å; A81-I132 HydrophobicContact CB-CD1 3.71Å; A81-I132 HydrophobicContact CB-CG1 4.48Å |
| 82 | T | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.2 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | V33 I43 F65 C67 C68 L80 L89 A90 W92 | V33-T82 HydrophobicContact CG1-CG2 4.39Å; I43-T82 HydrophobicContact CD1-CG2 4.29Å; F65-T82 HydrophobicContact CD1-CG2 4.2Å; F65-T82 HydrophobicContact CE1-CG2 4.34Å; F65-T82 WeakPolarHBondContact CE1-OG1 3.08Å; C67-T82 WeakPolarHBondContact O-CA 3.25Å; C68-T82 HydrophobicContact CB-CG2 4.07Å; L80-T82 HydrophobicContact CD2-CG2 4.15Å; L80-T82 HydrophobicContact CG-CG2 4.03Å; T82-L89 WeakPolarHBondContact O-CA 3.49Å; T82-L89 WeakPolarHBondContact O-CD1 3.37Å; T82-A90 PolarHBondContact N-O 2.91Å; T82-A90 PolarHBondContact O-N 3.23Å; T82-A90 VanDerWaalsContact O-N 3.15Å; T82-A90 PolarHBondContact OG1-O 3.09Å; T82-W92 PolarHBondContact OG1-NE1 3.16Å |
| 83 | G | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K66 C67 | K66-G83 PolarHBondContact N-O 2.95Å; C67-G83 PolarHBondContact O-N 2.86Å |
| 84 | A | 98.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 162.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S64 F65 N86 G87 R88 I114 | S64-A84 CarbonylContact O-C 3.52Å; S64-A84 VanDerWaalsContact O-CA 3.29Å; S64-A84 WeakPolarHBondContact O-CA 3.29Å; S64-A84 WeakPolarHBondContact O-CB 3.45Å; F65-A84 HydrophobicContact CD1-CB 4.08Å; F65-A84 HydrophobicContact CE1-CB 4.24Å; A84-N86 VanDerWaalsContact CB-OD1 3.26Å; A84-N86 WeakPolarHBondContact CB-OD1 3.32Å; A84-N86 PolarHBondContact O-N 2.92Å; A84-G87 PolarHBondContact O-N 2.72Å; A84-G87 VanDerWaalsContact O-N 3.16Å; A84-R88 HydrophobicContact CB-CB 4.21Å; A84-R88 WeakPolarHBondContact CB-O 3.31Å; A84-R88 PolarHBondContact N-O 3.21Å; A84-I114 PolarHBondContact O-N 2.76Å; A84-I114 VanDerWaalsContact O-N 3.07Å |
| 85 | F | 98.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 33% | 0.329 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.2 | 176.9 | -85.1 | -129.3 | 0 | 0 | 0 | 113.2 | F19 S64 K66 G87 I113 | F19-F85 HydrophobicContact CD2-CE2 4.1Å; F19-F85 HydrophobicContact CD2-CZ 4.15Å; F19-F85 HydrophobicContact CE1-CZ 4.38Å; F19-F85 AromaticContact CE2-CE2 3.94Å; F19-F85 HydrophobicContact CE2-CE2 3.94Å; F19-F85 AromaticContact CE2-CZ 3.53Å; F19-F85 HydrophobicContact CE2-CZ 3.53Å; F19-F85 HydrophobicContact CZ-CE2 4.41Å; F19-F85 AromaticContact CZ-CZ 3.67Å; F19-F85 HydrophobicContact CZ-CZ 3.67Å; S64-F85 WeakPolarHBondContact O-CD2 3.29Å; S64-F85 PolarHBondContact O-N 2.85Å; K66-F85 HydrophobicContact CB-CD2 3.93Å; K66-F85 HydrophobicContact CB-CE2 3.63Å; K66-F85 HydrophobicContact CD-CE2 4.04Å; K66-F85 HydrophobicContact CD-CZ 4.35Å; K66-F85 HydrophobicContact CG-CE2 4.29Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-I113 HydrophobicContact CB-CD1 4.38Å; F85-I113 HydrophobicContact CD1-CD1 3.77Å; F85-I113 HydrophobicContact CD2-CD1 3.63Å; F85-I113 HydrophobicContact CD2-CG1 4.28Å; F85-I113 HydrophobicContact CE1-CD1 3.85Å; F85-I113 HydrophobicContact CE2-CD1 3.72Å; F85-I113 HydrophobicContact CG-CD1 3.65Å; F85-I113 HydrophobicContact CG-CG1 4.3Å; F85-I113 HydrophobicContact CZ-CD1 3.82Å; F85-I113 WeakPolarHBondContact O-CA 3.32Å; F85-I113 WeakPolarHBondContact O-CB 3.26Å; F85-I113 PolarHBondContact O-N 2.92Å |
| 86 | N | 98.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 14.5 | 177 | 69.2 | -5.7 | 0 | 0 | 0 | 113.5 | S63 A84 R88 Q108 | S63-N86 WeakPolarHBondContact CB-ND2 3.06Å; S63-N86 PolarHBondContact OG-N 3.32Å; A84-N86 VanDerWaalsContact CB-OD1 3.26Å; A84-N86 WeakPolarHBondContact CB-OD1 3.32Å; A84-N86 PolarHBondContact O-N 2.92Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 2.82Å; N86-R88 VanDerWaalsContact OD1-CB 3.22Å; N86-R88 WeakPolarHBondContact OD1-CB 3.43Å; N86-R88 PolarHBondContact OD1-N 3.41Å; N86-Q108 PolarHBondContact O-NE2 2.95Å |
| 87 | G | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 80.4 | 6.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A84 F85 A109 H110 E112 | A84-G87 PolarHBondContact O-N 2.72Å; A84-G87 VanDerWaalsContact O-N 3.16Å; F85-G87 VanDerWaalsContact C-N 3.31Å; G87-A109 WeakPolarHBondContact O-CB 3.43Å; G87-A109 PolarHBondContact O-N 3.21Å; G87-H110 PolarHBondContact O-N 3.09Å; G87-E112 WeakPolarHBondContact CA-O 3.29Å; G87-E112 PolarHBondContact N-O 2.88Å |
| 88 | R | 98.5 | Very high | 90.8 | Very high | 89 Ų | 89 | 35.9 Ų | 35.9 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.1 | 178.9 | -171.7 | 176.9 | 178.6 | 174.2 | 1.3 | 111.7 | A84 N86 I114 | A84-R88 HydrophobicContact CB-CB 4.21Å; A84-R88 WeakPolarHBondContact CB-O 3.31Å; A84-R88 PolarHBondContact N-O 3.21Å; N86-R88 VanDerWaalsContact C-N 3.32Å; N86-R88 PolarHBondContact O-N 2.82Å; N86-R88 VanDerWaalsContact OD1-CB 3.22Å; N86-R88 WeakPolarHBondContact OD1-CB 3.43Å; N86-R88 PolarHBondContact OD1-N 3.41Å; R88-I114 WeakPolarHBondContact O-CD1 3.48Å |
| 89 | L | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.5 | 163.1 | 169.9 | 62.1 | 0 | 0 | 0 | 108.3 | T82 Y105 G106 V107 A109 I114 I117 I132 T134 W144 | T82-L89 WeakPolarHBondContact O-CA 3.49Å; T82-L89 WeakPolarHBondContact O-CD1 3.37Å; L89-Y105 HydrophobicContact CD2-CE1 4.42Å; L89-G106 WeakPolarHBondContact O-CA 3.43Å; L89-V107 HydrophobicContact CB-CG1 4Å; L89-V107 HydrophobicContact CD2-CG1 4.29Å; L89-V107 HydrophobicContact CG-CG1 4.44Å; L89-V107 PolarHBondContact N-O 3.14Å; L89-V107 PolarHBondContact O-N 2.99Å; L89-A109 HydrophobicContact CB-CB 3.75Å; L89-I114 HydrophobicContact CB-CD1 4.31Å; L89-I117 HydrophobicContact CD1-CD1 3.67Å; L89-I132 HydrophobicContact CD1-CG2 4.12Å; L89-I132 HydrophobicContact CD2-CG2 4.28Å; L89-T134 HydrophobicContact CD1-CG2 4.29Å; L89-T134 HydrophobicContact CD2-CG2 4.26Å; L89-W144 HydrophobicContact CD2-CB 4.16Å; L89-W144 HydrophobicContact CD2-CD2 3.89Å; L89-W144 HydrophobicContact CD2-CG 3.6Å |
| 90 | A | 97.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A81 T82 W92 P103 Y105 | A81-A90 CarbonylContact C-O 3.59Å; A81-A90 WeakPolarHBondContact CA-O 3.33Å; T82-A90 PolarHBondContact N-O 2.91Å; T82-A90 PolarHBondContact O-N 3.23Å; T82-A90 VanDerWaalsContact O-N 3.15Å; T82-A90 PolarHBondContact OG1-O 3.09Å; A90-W92 HydrophobicContact CB-CH2 4.28Å; A90-W92 HydrophobicContact CB-CZ2 3.43Å; A90-W92 VanDerWaalsContact CB-CZ2 3.43Å; A90-P103 HydrophobicContact CB-CB 4Å; A90-Y105 CarbonylContact C-O 3.52Å; A90-Y105 VanDerWaalsContact CA-O 3.26Å; A90-Y105 WeakPolarHBondContact CA-O 3.35Å |
| 91 | I | 96.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.9 | 175 | -55.5 | 179.7 | 0 | 0 | 0 | 108.8 | H79 L80 A81 P103 I104 Y105 I132 P146 | H79-I91 HydrophobicContact CB-CG2 3.59Å; L80-I91 CarbonylContact O-C 3.51Å; L80-I91 VanDerWaalsContact O-CA 3.32Å; L80-I91 WeakPolarHBondContact O-CA 3.2Å; A81-I91 HydrophobicContact CB-CG1 4.19Å; I91-P103 CarbonylContact O-C 3.57Å; I91-P103 WeakPolarHBondContact O-CA 3.01Å; I91-P103 WeakPolarHBondContact O-CB 3.43Å; I91-I104 PolarHBondContact O-N 3.09Å; I91-Y105 HydrophobicContact CD1-CD1 4.19Å; I91-Y105 HydrophobicContact CD1-CG 4.26Å; I91-Y105 HydrophobicContact CG1-CD1 4.28Å; I91-Y105 PolarHBondContact N-O 3.43Å; I91-Y105 PolarHBondContact O-N 3.43Å; I91-I132 HydrophobicContact CD1-CD1 3.65Å; I91-I132 HydrophobicContact CG1-CD1 4.14Å; I91-P146 HydrophobicContact CD1-CB 3.43Å; I91-P146 VanDerWaalsContact CD1-CB 3.43Å; I91-P146 HydrophobicContact CD1-CG 4.14Å |
| 92 | W | 95.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.5 | -172 | -48.2 | 95.9 | 0 | 0 | 0 | 110.9 | I43 K61 F65 H79 L80 T82 A90 L100 P103 | I43-W92 HydrophobicContact CD1-CD2 4.29Å; I43-W92 HydrophobicContact CD1-CG 4.24Å; K61-W92 HydrophobicContact CD-CH2 3.88Å; K61-W92 HydrophobicContact CD-CZ3 4.11Å; K61-W92 HydrophobicContact CG-CH2 4.23Å; F65-W92 HydrophobicContact CE1-CZ2 4.23Å; F65-W92 AromaticContact CZ-CZ2 3.85Å; F65-W92 HydrophobicContact CZ-CZ2 3.85Å; H79-W92 CarbonylContact C-O 3.6Å; H79-W92 VanDerWaalsContact CA-O 3.28Å; H79-W92 WeakPolarHBondContact CA-O 3.33Å; H79-W92 WeakPolarHBondContact CB-O 3.43Å; L80-W92 PolarHBondContact N-O 3.11Å; L80-W92 VanDerWaalsContact O-CD1 3.23Å; L80-W92 PolarHBondContact O-N 2.81Å; T82-W92 PolarHBondContact OG1-NE1 3.16Å; A90-W92 HydrophobicContact CB-CH2 4.28Å; A90-W92 HydrophobicContact CB-CZ2 3.43Å; A90-W92 VanDerWaalsContact CB-CZ2 3.43Å; W92-L100 HydrophobicContact CB-CD2 3.95Å; W92-L100 WeakPolarHBondContact CZ3-O 3.44Å; W92-P103 HydrophobicContact CD2-CB 4.08Å; W92-P103 HydrophobicContact CE3-CB 3.7Å; W92-P103 HydrophobicContact CE3-CG 4.49Å; W92-P103 HydrophobicContact CH2-CB 3.87Å; W92-P103 HydrophobicContact CH2-CG 3.98Å; W92-P103 HydrophobicContact CZ2-CB 4.23Å; W92-P103 HydrophobicContact CZ3-CB 3.6Å; W92-P103 VanDerWaalsContact CZ3-CD 3.48Å; W92-P103 HydrophobicContact CZ3-CG 3.91Å |
| 93 | D | 92.5 | Very high | 87.1 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -80.9 | 120.2 | 161.4 | -161.9 | -12 | 0 | 0 | 0 | 108.6 | S95 L100 I104 | D93-S95 VanDerWaalsContact OD1-CB 3.27Å; D93-S95 WeakPolarHBondContact OD1-CB 3.25Å; D93-S95 PolarHBondContact OD1-N 3.34Å; D93-S95 PolarHBondContact OD1-OG 2.85Å; D93-S95 PolarHBondContact OD2-OG 3.03Å; D93-L100 VanDerWaalsContact O-CD2 3.29Å; D93-L100 WeakPolarHBondContact O-CD2 3.22Å; D93-I104 HydrophobicContact CB-CD1 3.68Å; D93-I104 HydrophobicContact CB-CG1 4.34Å | ||
| 94 | I | 88.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | trans | -104.7 | 10.2 | -179.4 | 58.6 | 150.3 | 0 | 0 | 0 | 112 | I24 I45 F70 R78 L80 L100 | I24-I94 HydrophobicContact CD1-CD1 3.46Å; I24-I94 VanDerWaalsContact CD1-CD1 3.46Å; I24-I94 HydrophobicContact CG1-CD1 3.65Å; I24-I94 HydrophobicContact CG2-CD1 4.28Å; I45-I94 HydrophobicContact CD1-CB 4.4Å; I45-I94 HydrophobicContact CD1-CD1 4.47Å; I45-I94 HydrophobicContact CD1-CG2 4.22Å; F70-I94 HydrophobicContact CE1-CD1 3.49Å; F70-I94 VanDerWaalsContact CE1-CD1 3.49Å; F70-I94 HydrophobicContact CE1-CG1 4.22Å; F70-I94 HydrophobicContact CZ-CD1 3.7Å; R78-I94 WeakPolarHBondContact O-CG1 3.35Å; L80-I94 HydrophobicContact CB-CG2 3.77Å; L80-I94 HydrophobicContact CD2-CG2 4.27Å; I94-L100 HydrophobicContact CG2-CD2 3.96Å | ||
| 95 | S | 78 | Confident | 86.5 | Confident | 36 Ų | 36 | 57 Ų | 57 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -56.7 | 157.8 | 173.8 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | D93 D97 G98 | D93-S95 VanDerWaalsContact OD1-CB 3.27Å; D93-S95 WeakPolarHBondContact OD1-CB 3.25Å; D93-S95 PolarHBondContact OD1-N 3.34Å; D93-S95 PolarHBondContact OD1-OG 2.85Å; D93-S95 PolarHBondContact OD2-OG 3.03Å; S95-D97 WeakPolarHBondContact CB-OD1 3.21Å; S95-D97 PolarHBondContact O-N 2.57Å; S95-D97 PolarHBondContact OG-OD1 2.73Å; S95-D97 VanDerWaalsContact OG-OD1 3.1Å; S95-G98 VanDerWaalsContact O-CA 3.29Å; S95-G98 WeakPolarHBondContact O-CA 3.38Å; S95-G98 PolarHBondContact O-N 3.41Å; S95-G98 WeakPolarHBondContact OG-CA 3.22Å; S95-G98 PolarHBondContact OG-N 3.05Å; S95-G98 VanDerWaalsContact OG-N 3.13Å |
| 96 | S | 65.3 | Low | 86.4 | Confident | 107 Ų | 107 | 54 Ų | 54 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -25.7 | -175.9 | -59.4 | 0 | 0 | 0 | 0 | 113 | G98 | S96-G98 VanDerWaalsContact C-N 3.34Š|
| 97 | D | 64.6 | Low | 86.3 | Confident | 143 Ų | 143 | 51.7 Ų | 51.7 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.7 | 167.2 | 57.3 | -38.2 | 0 | 0 | 0 | 112.8 | S95 R99 | S95-D97 WeakPolarHBondContact CB-OD1 3.21Å; S95-D97 PolarHBondContact O-N 2.57Å; S95-D97 PolarHBondContact OG-OD1 2.73Å; S95-D97 VanDerWaalsContact OG-OD1 3.1Å; D97-R99 PolarHBondContact O-N 2.93Å |
| 98 | G | 57.4 | Low | 86.3 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | trans | -64.2 | 128.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S95 S96 L100 | S95-G98 VanDerWaalsContact O-CA 3.29Å; S95-G98 WeakPolarHBondContact O-CA 3.38Å; S95-G98 PolarHBondContact O-N 3.41Å; S95-G98 WeakPolarHBondContact OG-CA 3.22Å; S95-G98 PolarHBondContact OG-N 3.05Å; S95-G98 VanDerWaalsContact OG-N 3.13Å; S96-G98 VanDerWaalsContact C-N 3.34Å; G98-L100 VanDerWaalsContact C-N 3.25Å; G98-L100 PolarHBondContact O-N 3.36Å | ||
| 99 | R | 63.2 | Low | 86.3 | Confident | 191 Ų | 191 | 53 Ų | 53 | 72% | 0.721 | 28% | 0.283 | S | S | * | . | trans | -77.3 | 78.2 | 169.2 | -65.7 | -159.7 | -81.7 | -156 | -4.7 | 109.4 | D97 D101 N102 | D97-R99 PolarHBondContact O-N 2.93Å; R99-D101 PolarHBondContact O-N 2.69Å; R99-N102 PolarHBondContact O-N 3.2Å | ||
| 100 | L | 79.8 | Confident | 86.3 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -17.7 | 167.2 | -78.8 | 176.2 | 0 | 0 | 0 | 111.8 | S57 K61 W92 D93 I94 G98 N102 | S57-L100 WeakPolarHBondContact OG-CD1 3.25Å; K61-L100 WeakPolarHBondContact CE-O 3.38Å; K61-L100 PolarHBondContact NZ-O 2.99Å; W92-L100 HydrophobicContact CB-CD2 3.95Å; W92-L100 WeakPolarHBondContact CZ3-O 3.44Å; D93-L100 VanDerWaalsContact O-CD2 3.29Å; D93-L100 WeakPolarHBondContact O-CD2 3.22Å; I94-L100 HydrophobicContact CG2-CD2 3.96Å; G98-L100 VanDerWaalsContact C-N 3.25Å; G98-L100 PolarHBondContact O-N 3.36Å; L100-N102 VanDerWaalsContact C-N 3.32Å; L100-N102 PolarHBondContact O-N 3.07Å |
| 101 | D | 79 | Confident | 86.2 | Confident | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -51 | 172.9 | -59.4 | -29.6 | 0 | 0 | 0 | 113.1 | K61 R99 | K61-D101 PolarHBondContact NZ-O 3.18Å; R99-D101 PolarHBondContact O-N 2.69Å |
| 102 | N | 88 | Confident | 86.3 | Confident | 117 Ų | 117 | 64.8 Ų | 64.8 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -124.6 | 133.7 | -174.1 | -68.5 | -52.6 | 0 | 0 | 0 | 111.5 | R99 L100 | R99-N102 PolarHBondContact O-N 3.2Å; L100-N102 VanDerWaalsContact C-N 3.32Å; L100-N102 PolarHBondContact O-N 3.07Å |
| 103 | P | 93.2 | Very high | 86.5 | Confident | 31 Ų | 31 | 65 Ų | 65 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | trans | -73.2 | 142.7 | 177.6 | 30.1 | -31.7 | 0 | 0 | 0 | 110.9 | A90 I91 W92 Y105 | A90-P103 HydrophobicContact CB-CB 4Å; I91-P103 CarbonylContact O-C 3.57Å; I91-P103 WeakPolarHBondContact O-CA 3.01Å; I91-P103 WeakPolarHBondContact O-CB 3.43Å; W92-P103 HydrophobicContact CD2-CB 4.08Å; W92-P103 HydrophobicContact CE3-CB 3.7Å; W92-P103 HydrophobicContact CE3-CG 4.49Å; W92-P103 HydrophobicContact CH2-CB 3.87Å; W92-P103 HydrophobicContact CH2-CG 3.98Å; W92-P103 HydrophobicContact CZ2-CB 4.23Å; W92-P103 HydrophobicContact CZ3-CB 3.6Å; W92-P103 VanDerWaalsContact CZ3-CD 3.48Å; W92-P103 HydrophobicContact CZ3-CG 3.91Å; P103-Y105 VanDerWaalsContact C-N 3.27Å; P103-Y105 WeakPolarHBondContact CB-O 3.19Å; P103-Y105 PolarHBondContact O-N 3.39Å | ||
| 104 | I | 92.1 | Very high | 86.8 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -63.7 | -39.8 | 172.9 | -62.5 | 164.5 | 0 | 0 | 0 | 110.2 | H79 I91 D93 | H79-I104 WeakPolarHBondContact CD2-CD1 3.31Å; H79-I104 WeakPolarHBondContact NE2-CD1 3.38Å; I91-I104 PolarHBondContact O-N 3.09Å; D93-I104 HydrophobicContact CB-CD1 3.68Å; D93-I104 HydrophobicContact CB-CG1 4.34Å |
| 105 | Y | 94.1 | Very high | 87.3 | Confident | 20 Ų | 20 | 63 Ų | 63 | 8% | 0.078 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136.6 | 176.4 | 179.8 | -85.8 | 0 | 0 | 0 | 108.9 | L89 A90 I91 P103 V107 K150 | L89-Y105 HydrophobicContact CD2-CE1 4.42Å; A90-Y105 CarbonylContact C-O 3.52Å; A90-Y105 VanDerWaalsContact CA-O 3.26Å; A90-Y105 WeakPolarHBondContact CA-O 3.35Å; I91-Y105 HydrophobicContact CD1-CD1 4.19Å; I91-Y105 HydrophobicContact CD1-CG 4.26Å; I91-Y105 HydrophobicContact CG1-CD1 4.28Å; I91-Y105 PolarHBondContact N-O 3.43Å; I91-Y105 PolarHBondContact O-N 3.43Å; P103-Y105 VanDerWaalsContact C-N 3.27Å; P103-Y105 WeakPolarHBondContact CB-O 3.19Å; P103-Y105 PolarHBondContact O-N 3.39Å; Y105-V107 HydrophobicContact CE1-CB 4.15Å; Y105-V107 HydrophobicContact CE1-CG1 3.67Å; Y105-K150 HydrophobicContact CE2-CG 4.4Å |
| 106 | G | 95.5 | Very high | 88.3 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 130.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 K150 | L89-G106 WeakPolarHBondContact O-CA 3.43Å; G106-K150 WeakPolarHBondContact O-CD 3.34Å; G106-K150 VanDerWaalsContact O-CE 3.28Å; G106-K150 WeakPolarHBondContact O-CE 3.27Å; G106-K150 PolarHBondContact O-NZ 3.41Å |
| 107 | V | 97.6 | Very high | 89.9 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.3 | 179.1 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | L89 Y105 A109 W144 K150 | L89-V107 HydrophobicContact CB-CG1 4Å; L89-V107 HydrophobicContact CD2-CG1 4.29Å; L89-V107 HydrophobicContact CG-CG1 4.44Å; L89-V107 PolarHBondContact N-O 3.14Å; L89-V107 PolarHBondContact O-N 2.99Å; Y105-V107 HydrophobicContact CE1-CB 4.15Å; Y105-V107 HydrophobicContact CE1-CG1 3.67Å; V107-A109 VanDerWaalsContact C-N 3.3Å; V107-A109 HydrophobicContact CG1-CB 4.24Å; V107-A109 PolarHBondContact O-N 3.11Å; V107-W144 HydrophobicContact CG1-CE3 4.11Å; V107-W144 HydrophobicContact CG1-CH2 4.08Å; V107-W144 HydrophobicContact CG1-CZ3 3.82Å; V107-W144 HydrophobicContact CG2-CH2 4.31Å; V107-W144 HydrophobicContact CG2-CZ3 4.03Å; V107-K150 HydrophobicContact CB-CB 4.36Å; V107-K150 HydrophobicContact CG2-CB 3.94Å |
| 108 | Q | 97.8 | Very high | 91.5 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 89.1 | 165.9 | -170.9 | 62.4 | 44.5 | 0 | 0 | 107.8 | N86 H110 | N86-Q108 PolarHBondContact O-NE2 2.95Å; Q108-H110 PolarHBondContact NE2-O 2.56Å |
| 109 | A | 98.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | -74.3 | -42.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G87 L89 V107 I114 K142 W144 | G87-A109 WeakPolarHBondContact O-CB 3.43Å; G87-A109 PolarHBondContact O-N 3.21Å; L89-A109 HydrophobicContact CB-CB 3.75Å; V107-A109 VanDerWaalsContact C-N 3.3Å; V107-A109 HydrophobicContact CG1-CB 4.24Å; V107-A109 PolarHBondContact O-N 3.11Å; A109-I114 HydrophobicContact CB-CD1 4.16Å; A109-K142 WeakPolarHBondContact O-CD 3.24Å; A109-K142 PolarHBondContact O-NZ 3.08Å; A109-W144 HydrophobicContact CB-CH2 3.86Å; A109-W144 HydrophobicContact CB-CZ2 3.29Å | ||
| 110 | H | 98.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | trans | -133.2 | 163.2 | -173.4 | -71.6 | -84.2 | 0 | 0 | 0 | 111.5 | G87 Q108 I114 T134 S136 D138 V140 | G87-H110 PolarHBondContact O-N 3.09Å; Q108-H110 PolarHBondContact NE2-O 2.56Å; H110-I114 HydrophobicContact CB-CG1 4.33Å; H110-T134 PolarHBondContact CD2-OG1 3.09Å; H110-T134 PolarHBondContact NE2-OG1 2.65Å; H110-S136 WeakPolarHBondContact CB-OG 3.21Å; H110-S136 WeakPolarHBondContact ND1-CB 3.45Å; H110-D138 WeakPolarHBondContact CA-OD2 3.21Å; H110-D138 WeakPolarHBondContact CB-OD2 3.32Å; H110-D138 IonicContact CE1-OD1 3.13Å; H110-D138 IonicContact CG-OD1 2.82Å; H110-D138 IonicContact CG-OD2 3.42Å; H110-D138 IonicContact ND1-OD1 3.83Å; H110-D138 PolarHBondContact ND1-OD1 2.7Å; H110-D138 IonicContact ND1-OD2 2.9Å; H110-D138 PolarHBondContact ND1-OD2 3.36Å; H110-D138 VanDerWaalsContact ND1-OD2 3.07Å; H110-V140 PolarHBondContact CE1-O 3.11Å | ||
| 111 | K | 96.8 | Very high | 95.8 | Very high | 167 Ų | 167 | 41.8 Ų | 41.8 | 73% | 0.726 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -82.2 | -24.1 | 176.1 | -66.8 | -179.3 | -179.5 | 178.8 | 0 | 112.4 | D138 | K111-D138 PolarHBondContact N-OD2 3.41Š|
| 112 | E | 97.8 | Very high | 96.5 | Very high | 93 Ų | 93 | 36.8 Ų | 36.8 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -125 | 178.9 | -176.4 | -72.9 | -70.1 | 150.1 | 0 | 0 | 110.6 | G87 I114 S136 R137 D138 | G87-E112 WeakPolarHBondContact CA-O 3.29Å; G87-E112 PolarHBondContact N-O 2.88Å; E112-I114 PolarHBondContact O-N 3.05Å; E112-S136 PolarHBondContact O-OG 2.77Å; E112-R137 HydrophobicContact CB-CB 3.95Å; E112-R137 HydrophobicContact CB-CG 4.3Å; E112-R137 HydrophobicContact CG-CG 4.5Å; E112-D138 HydrophobicContact CB-CB 4.17Å; E112-D138 HydrophobicContact CG-CB 4.32Å |
| 113 | I | 98.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | trans | -46.3 | 134.6 | 176.5 | 179.4 | 161.9 | 0 | 0 | 0 | 112.9 | K66 F85 N115 S136 R137 | K66-I113 HydrophobicContact CB-CD1 4.15Å; K66-I113 HydrophobicContact CB-CG1 4.32Å; K66-I113 HydrophobicContact CD-CD1 4.29Å; K66-I113 HydrophobicContact CG-CD1 4.01Å; K66-I113 HydrophobicContact CG-CG1 4.34Å; F85-I113 HydrophobicContact CB-CD1 4.38Å; F85-I113 HydrophobicContact CD1-CD1 3.77Å; F85-I113 HydrophobicContact CD2-CD1 3.63Å; F85-I113 HydrophobicContact CD2-CG1 4.28Å; F85-I113 HydrophobicContact CE1-CD1 3.85Å; F85-I113 HydrophobicContact CE2-CD1 3.72Å; F85-I113 HydrophobicContact CG-CD1 3.65Å; F85-I113 HydrophobicContact CG-CG1 4.3Å; F85-I113 HydrophobicContact CZ-CD1 3.82Å; F85-I113 WeakPolarHBondContact O-CA 3.32Å; F85-I113 WeakPolarHBondContact O-CB 3.26Å; F85-I113 PolarHBondContact O-N 2.92Å; I113-N115 PolarHBondContact O-N 2.97Å; I113-S136 WeakPolarHBondContact O-CA 3.3Å; I113-S136 VanDerWaalsContact O-CB 3.25Å; I113-S136 WeakPolarHBondContact O-CB 3.34Å; I113-S136 PolarHBondContact O-OG 2.82Å; I113-R137 HydrophobicContact CG2-CB 3.57Å; I113-R137 HydrophobicContact CG2-CG 4.46Å; I113-R137 PolarHBondContact O-N 2.77Å; I113-R137 VanDerWaalsContact O-N 3.09Å | ||
| 114 | I | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 104.6 | 165.6 | -62.3 | 167.9 | 0 | 0 | 0 | 107.3 | K66 A84 R88 L89 A109 H110 E112 A116 T134 G135 | K66-I114 VanDerWaalsContact CB-O 3.3Å; K66-I114 WeakPolarHBondContact CB-O 3.4Å; K66-I114 WeakPolarHBondContact CG-O 3.45Å; A84-I114 PolarHBondContact O-N 2.76Å; A84-I114 VanDerWaalsContact O-N 3.07Å; R88-I114 WeakPolarHBondContact O-CD1 3.48Å; L89-I114 HydrophobicContact CB-CD1 4.31Å; A109-I114 HydrophobicContact CB-CD1 4.16Å; H110-I114 HydrophobicContact CB-CG1 4.33Å; E112-I114 PolarHBondContact O-N 3.05Å; I114-A116 VanDerWaalsContact CG2-O 3.29Å; I114-A116 WeakPolarHBondContact CG2-O 3.3Å; I114-T134 HydrophobicContact CD1-CG2 4.31Å; I114-T134 HydrophobicContact CG2-CG2 4.09Å; I114-G135 CarbonylContact C-O 3.52Å |
| 115 | N | 98.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -35 | -179.5 | -67 | -54.3 | 0 | 0 | 0 | 112.3 | I113 G135 R137 D174 C175 | I113-N115 PolarHBondContact O-N 2.97Å; N115-G135 PolarHBondContact N-O 2.92Å; N115-R137 PolarHBondContact ND2-N 3.05Å; N115-D174 PolarHBondContact ND2-OD1 3.25Å; N115-C175 WeakPolarHBondContact CB-O 3.26Å; N115-C175 PolarHBondContact ND2-O 2.93Å |
| 116 | A | 98.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C67 I114 T134 G135 W176 V178 | C67-A116 VanDerWaalsContact SG-C 3.56Å; I114-A116 VanDerWaalsContact CG2-O 3.29Å; I114-A116 WeakPolarHBondContact CG2-O 3.3Å; A116-T134 WeakPolarHBondContact O-CA 3.21Å; A116-G135 PolarHBondContact N-O 3.43Å; A116-G135 PolarHBondContact O-N 2.87Å; A116-W176 WeakPolarHBondContact CB-O 3.41Å; A116-V178 HydrophobicContact CB-CG2 4.03Å |
| 117 | I | 98.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139 | 174.1 | -164.9 | 172.5 | 0 | 0 | 0 | 108.2 | C67 T69 A81 L89 I132 A133 T134 | C67-I117 HydrophobicContact CB-CB 4.4Å; C67-I117 HydrophobicContact CB-CG2 3.69Å; C67-I117 VanDerWaalsContact SG-CG2 3.55Å; C67-I117 PolarHBondContact SG-N 3.02Å; T69-I117 HydrophobicContact CG2-CD1 4.08Å; T69-I117 HydrophobicContact CG2-CG1 3.95Å; T69-I117 HydrophobicContact CG2-CG2 4.14Å; A81-I117 HydrophobicContact CB-CD1 3.85Å; L89-I117 HydrophobicContact CD1-CD1 3.67Å; I117-I132 HydrophobicContact CD1-CG2 3.73Å; I117-I132 HydrophobicContact CG1-CG2 3.59Å; I117-A133 VanDerWaalsContact CA-O 3.27Å; I117-A133 WeakPolarHBondContact CA-O 3.03Å; I117-A133 WeakPolarHBondContact CG1-O 3.5Å; I117-T134 HydrophobicContact CD1-CG2 4.49Å; I117-T134 HydrophobicContact CG1-CG2 4.18Å |
| 118 | D | 98.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 158.6 | 167.5 | -165 | 20.5 | 0 | 0 | 0 | 110 | I132 A133 V178 A179 F180 K228 | D118-I132 CarbonylContact O-C 3.6Å; D118-I132 WeakPolarHBondContact O-CA 3.31Å; D118-A133 PolarHBondContact N-O 2.71Å; D118-A133 PolarHBondContact O-N 2.58Å; D118-V178 HydrophobicContact CB-CG2 4.28Å; D118-A179 WeakPolarHBondContact OD2-CA 3.27Å; D118-F180 HydrophobicContact CB-CD2 4.24Å; D118-F180 PolarHBondContact OD2-N 2.79Å; D118-K228 VanDerWaalsContact CG-NZ 3.26Å; D118-K228 IonicContact OD1-NZ 2.74Å; D118-K228 PolarHBondContact OD1-NZ 2.8Å; D118-K228 VanDerWaalsContact OD2-CE 3.22Å; D118-K228 WeakPolarHBondContact OD2-CE 3.49Å; D118-K228 IonicContact OD2-NZ 2.76Å; D118-K228 PolarHBondContact OD2-NZ 3.49Å; D118-K228 VanDerWaalsContact OD2-NZ 3.13Å |
| 119 | G | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S71 E131 K228 | S71-G119 WeakPolarHBondContact CB-O 3.15Å; G119-E131 CarbonylContact C-O 3.51Å; G119-E131 VanDerWaalsContact CA-O 3.23Å; G119-E131 WeakPolarHBondContact CA-O 3.3Å; G119-K228 PolarHBondContact O-NZ 3.48Å |
| 120 | V | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.5 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 110.1 | S71 G122 P130 E131 F180 A183 | S71-V120 CarbonylContact O-C 3.58Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.47Å; V120-P130 VanDerWaalsContact O-CA 3.28Å; V120-P130 WeakPolarHBondContact O-CA 3.46Å; V120-E131 HydrophobicContact CG1-CB 4.24Å; V120-E131 PolarHBondContact N-O 3.39Å; V120-E131 PolarHBondContact O-N 2.93Å; V120-F180 HydrophobicContact CB-CB 4.06Å; V120-F180 HydrophobicContact CB-CD2 3.9Å; V120-F180 HydrophobicContact CB-CE2 4.43Å; V120-F180 HydrophobicContact CB-CG 3.94Å; V120-F180 HydrophobicContact CG1-CB 4.35Å; V120-F180 HydrophobicContact CG1-CD1 3.92Å; V120-F180 HydrophobicContact CG1-CD2 3.74Å; V120-F180 HydrophobicContact CG1-CE1 4.04Å; V120-F180 HydrophobicContact CG1-CE2 3.85Å; V120-F180 HydrophobicContact CG1-CG 3.75Å; V120-F180 HydrophobicContact CG1-CZ 4Å; V120-F180 HydrophobicContact CG2-CB 4.47Å; V120-A183 HydrophobicContact CG2-CB 3.87Å |
| 121 | G | 95.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 84.7 | -18.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V125 G126 | G121-V125 PolarHBondContact N-O 3.32Å; G121-G126 WeakPolarHBondContact CA-O 3.32Å |
| 122 | G | 92.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -42.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S71 S73 M74 V120 G124 | S71-G122 WeakPolarHBondContact O-CA 3.22Å; S71-G122 PolarHBondContact O-N 2.9Å; S73-G122 CarbonylContact O-C 3.57Å; S73-G122 WeakPolarHBondContact O-CA 3.25Å; M74-G122 WeakPolarHBondContact CA-O 3.29Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.47Å; G122-G124 VanDerWaalsContact C-N 3.31Å; G122-G124 PolarHBondContact O-N 2.89Å |
| 123 | L | 91.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 23.3 Ų | 23.3 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 18.6 | -172.6 | -58.1 | 176.9 | 0 | 0 | 0 | 113.8 | P25 F70 S73 L75 V125 | P25-L123 HydrophobicContact CB-CD1 4.42Å; P25-L123 HydrophobicContact CB-CD2 3.93Å; P25-L123 HydrophobicContact CG-CD1 3.68Å; P25-L123 HydrophobicContact CG-CD2 3.57Å; P25-L123 HydrophobicContact CG-CG 4.3Å; F70-L123 HydrophobicContact CB-CD1 4.5Å; S73-L123 WeakPolarHBondContact O-CD2 3.45Å; L75-L123 HydrophobicContact CD2-CD2 3.71Å; L75-L123 HydrophobicContact CG-CD2 4.26Å; L123-V125 PolarHBondContact O-N 3.44Å |
| 124 | G | 88.1 | Confident | 95.6 | Very high | 67 Ų | 67 | 22.8 Ų | 22.8 | 69% | 0.691 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 69.9 | 6.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | G122 | G122-G124 VanDerWaalsContact C-N 3.31Å; G122-G124 PolarHBondContact O-N 2.89Å |
| 125 | V | 91.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 22.8 Ų | 22.8 | 39% | 0.394 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -99.3 | 106.8 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | G121 L123 K228 D229 | G121-V125 PolarHBondContact N-O 3.32Å; L123-V125 PolarHBondContact O-N 3.44Å; V125-K228 HydrophobicContact CG1-CB 4.11Å; V125-D229 HydrophobicContact CG1-CB 4.26Å |
| 126 | G | 93.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 92.5 | 136.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G121 A183 | G121-G126 WeakPolarHBondContact CA-O 3.32Å; G126-A183 CarbonylContact C-O 3.56Å; G126-A183 VanDerWaalsContact CA-O 3.23Å; G126-A183 WeakPolarHBondContact CA-O 3.17Å |
| 127 | E | 93.2 | Very high | 95.6 | Very high | 105 Ų | 105 | 27.5 Ų | 27.5 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -88.2 | 156.9 | 178.3 | -76.2 | -163.9 | -166.7 | 0 | 0 | 112.5 | A183 N185 K186 R189 | E127-A183 PolarHBondContact N-O 2.82Å; E127-N185 VanDerWaalsContact OE2-CA 3.25Å; E127-N185 WeakPolarHBondContact OE2-CA 3.23Å; E127-K186 PolarHBondContact OE2-N 2.93Å; E127-R189 PolarHBondContact O-NH2 3.25Å |
| 128 | G | 91 | Very high | 95.4 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 40% | 0.402 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 98.3 | -160 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 129 | A | 92.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -61 | 140 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E131 R189 | A129-E131 HydrophobicContact CB-CG 4.4Å; A129-E131 PolarHBondContact O-N 2.87Å; A129-R189 PolarHBondContact O-NH1 3.33Å; A129-R189 PolarHBondContact O-NH2 2.91Å |
| 130 | P | 95.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | trans | -64 | 123.6 | 166.1 | -16.4 | 29.9 | 0 | 0 | 0 | 109.9 | A72 M74 V120 | A72-P130 WeakPolarHBondContact O-CB 3.26Å; M74-P130 HydrophobicContact SD-CG 4.47Å; V120-P130 VanDerWaalsContact O-CA 3.28Å; V120-P130 WeakPolarHBondContact O-CA 3.46Å | ||
| 131 | E | 97 | Very high | 95.2 | Very high | 23 Ų | 23 | 27 Ų | 27 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.7 | -178.3 | -72.5 | 179 | 174.1 | 0 | 0 | 111.5 | A72 G119 V120 A129 V143 W144 D145 F180 R189 | A72-E131 WeakPolarHBondContact CB-O 3.46Å; G119-E131 CarbonylContact C-O 3.51Å; G119-E131 VanDerWaalsContact CA-O 3.23Å; G119-E131 WeakPolarHBondContact CA-O 3.3Å; V120-E131 HydrophobicContact CG1-CB 4.24Å; V120-E131 PolarHBondContact N-O 3.39Å; V120-E131 PolarHBondContact O-N 2.93Å; A129-E131 HydrophobicContact CB-CG 4.4Å; A129-E131 PolarHBondContact O-N 2.87Å; E131-V143 HydrophobicContact CB-CG1 4Å; E131-V143 HydrophobicContact CG-CG1 4.09Å; E131-V143 VanDerWaalsContact OE2-CG1 3.32Å; E131-V143 WeakPolarHBondContact OE2-CG1 3.27Å; E131-W144 CarbonylContact C-O 3.48Å; E131-W144 WeakPolarHBondContact CA-O 3.43Å; E131-W144 WeakPolarHBondContact CB-O 3.12Å; E131-D145 HydrophobicContact CG-CB 4.28Å; E131-F180 HydrophobicContact CB-CZ 4.12Å; E131-R189 IonicContact OE1-NH1 2.72Å; E131-R189 WeakPolarHBondContact OE2-CD 3.37Å; E131-R189 IonicContact OE2-CZ 2.83Å; E131-R189 IonicContact OE2-NE 3.99Å; E131-R189 IonicContact OE2-NH1 3.67Å; E131-R189 PolarHBondContact OE2-NH1 3.04Å |
| 132 | I | 98.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133 | 175.5 | -62 | 168.4 | 0 | 0 | 0 | 107.7 | A72 A81 L89 I91 I117 D118 T134 V143 W144 | A72-I132 HydrophobicContact CB-CD1 4.03Å; A72-I132 HydrophobicContact CB-CG1 3.36Å; A81-I132 HydrophobicContact CB-CD1 3.71Å; A81-I132 HydrophobicContact CB-CG1 4.48Å; L89-I132 HydrophobicContact CD1-CG2 4.12Å; L89-I132 HydrophobicContact CD2-CG2 4.28Å; I91-I132 HydrophobicContact CD1-CD1 3.65Å; I91-I132 HydrophobicContact CG1-CD1 4.14Å; I117-I132 HydrophobicContact CD1-CG2 3.73Å; I117-I132 HydrophobicContact CG1-CG2 3.59Å; D118-I132 CarbonylContact O-C 3.6Å; D118-I132 WeakPolarHBondContact O-CA 3.31Å; I132-T134 HydrophobicContact CG2-CG2 4.29Å; I132-V143 CarbonylContact O-C 3.54Å; I132-V143 WeakPolarHBondContact O-CA 3.29Å; I132-W144 HydrophobicContact CB-CB 4.4Å; I132-W144 PolarHBondContact N-O 2.98Å; I132-W144 PolarHBondContact O-N 2.96Å |
| 133 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I117 D118 K142 V143 V178 F180 L191 | I117-A133 VanDerWaalsContact CA-O 3.27Å; I117-A133 WeakPolarHBondContact CA-O 3.03Å; I117-A133 WeakPolarHBondContact CG1-O 3.5Å; D118-A133 PolarHBondContact N-O 2.71Å; D118-A133 PolarHBondContact O-N 2.58Å; A133-K142 CarbonylContact C-O 3.57Å; A133-K142 VanDerWaalsContact CA-O 3.25Å; A133-K142 WeakPolarHBondContact CA-O 3.21Å; A133-V143 HydrophobicContact CB-CG2 4.47Å; A133-V178 HydrophobicContact CB-CB 4.46Å; A133-V178 HydrophobicContact CB-CG2 4.14Å; A133-F180 HydrophobicContact CB-CD2 4.21Å; A133-F180 HydrophobicContact CB-CE1 4.47Å; A133-F180 HydrophobicContact CB-CE2 3.47Å; A133-F180 VanDerWaalsContact CB-CE2 3.47Å; A133-F180 HydrophobicContact CB-CZ 3.62Å; A133-L191 HydrophobicContact CB-CD1 3.55Å; A133-L191 HydrophobicContact CB-CD2 3.81Å; A133-L191 HydrophobicContact CB-CG 4.35Å |
| 134 | T | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.3 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | L89 H110 I114 A116 I117 I132 V141 K142 W144 | L89-T134 HydrophobicContact CD1-CG2 4.29Å; L89-T134 HydrophobicContact CD2-CG2 4.26Å; H110-T134 PolarHBondContact CD2-OG1 3.09Å; H110-T134 PolarHBondContact NE2-OG1 2.65Å; I114-T134 HydrophobicContact CD1-CG2 4.31Å; I114-T134 HydrophobicContact CG2-CG2 4.09Å; A116-T134 WeakPolarHBondContact O-CA 3.21Å; I117-T134 HydrophobicContact CD1-CG2 4.49Å; I117-T134 HydrophobicContact CG1-CG2 4.18Å; I132-T134 HydrophobicContact CG2-CG2 4.29Å; T134-V141 CarbonylContact O-C 3.48Å; T134-V141 VanDerWaalsContact O-CA 3.29Å; T134-V141 WeakPolarHBondContact O-CA 3.2Å; T134-K142 PolarHBondContact N-O 2.95Å; T134-K142 PolarHBondContact O-N 3.25Å; T134-W144 PolarHBondContact OG1-NE1 3.04Å |
| 135 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I114 N115 A116 | I114-G135 CarbonylContact C-O 3.52Å; N115-G135 PolarHBondContact N-O 2.92Å; A116-G135 PolarHBondContact N-O 3.43Å; A116-G135 PolarHBondContact O-N 2.87Å |
| 136 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 160.3 | -171.8 | 175.1 | 0 | 0 | 0 | 0 | 113 | H110 E112 I113 D138 G139 V140 C175 | H110-S136 WeakPolarHBondContact CB-OG 3.21Å; H110-S136 WeakPolarHBondContact ND1-CB 3.45Å; E112-S136 PolarHBondContact O-OG 2.77Å; I113-S136 WeakPolarHBondContact O-CA 3.3Å; I113-S136 VanDerWaalsContact O-CB 3.25Å; I113-S136 WeakPolarHBondContact O-CB 3.34Å; I113-S136 PolarHBondContact O-OG 2.82Å; S136-D138 VanDerWaalsContact CB-OD1 3.27Å; S136-D138 WeakPolarHBondContact CB-OD1 3.38Å; S136-D138 PolarHBondContact O-N 3.42Å; S136-D138 PolarHBondContact OG-N 2.9Å; S136-D138 PolarHBondContact OG-OD1 2.92Å; S136-G139 PolarHBondContact O-N 3.19Å; S136-V140 PolarHBondContact N-O 3.17Å; S136-C175 VanDerWaalsContact O-CB 3.29Å; S136-C175 WeakPolarHBondContact O-CB 3.32Å; S136-C175 PolarHBondContact O-N 2.83Å |
| 137 | R | 97.9 | Very high | 96.4 | Very high | 132 Ų | 132 | 30.2 Ų | 30.2 | 50% | 0.498 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.6 | 168 | 174.2 | 177.4 | -68 | 173.1 | 0.5 | 114.3 | E112 I113 N115 G139 D174 | E112-R137 HydrophobicContact CB-CB 3.95Å; E112-R137 HydrophobicContact CB-CG 4.3Å; E112-R137 HydrophobicContact CG-CG 4.5Å; I113-R137 HydrophobicContact CG2-CB 3.57Å; I113-R137 HydrophobicContact CG2-CG 4.46Å; I113-R137 PolarHBondContact O-N 2.77Å; I113-R137 VanDerWaalsContact O-N 3.09Å; N115-R137 PolarHBondContact ND2-N 3.05Å; R137-G139 PolarHBondContact O-N 3.2Å; R137-G139 VanDerWaalsContact O-N 3.08Å; R137-D174 WeakPolarHBondContact CA-OD1 3.43Å; R137-D174 WeakPolarHBondContact CB-OD1 3.45Å; R137-D174 HydrophobicContact CG-CB 4.42Å; R137-D174 IonicContact CZ-OD2 2.64Å; R137-D174 IonicContact NE-OD2 3.82Å; R137-D174 PolarHBondContact NE-OD2 2.81Å; R137-D174 VanDerWaalsContact NE-OD2 3.09Å; R137-D174 IonicContact NH2-OD2 3.55Å |
| 138 | D | 96.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -2.4 | 171.1 | 69.2 | 13.1 | 0 | 0 | 0 | 113.4 | H110 K111 E112 S136 V140 R172 | H110-D138 WeakPolarHBondContact CA-OD2 3.21Å; H110-D138 WeakPolarHBondContact CB-OD2 3.32Å; H110-D138 IonicContact CE1-OD1 3.13Å; H110-D138 IonicContact CG-OD1 2.82Å; H110-D138 IonicContact CG-OD2 3.42Å; H110-D138 IonicContact ND1-OD1 3.83Å; H110-D138 PolarHBondContact ND1-OD1 2.7Å; H110-D138 IonicContact ND1-OD2 2.9Å; H110-D138 PolarHBondContact ND1-OD2 3.36Å; H110-D138 VanDerWaalsContact ND1-OD2 3.07Å; K111-D138 PolarHBondContact N-OD2 3.41Å; E112-D138 HydrophobicContact CB-CB 4.17Å; E112-D138 HydrophobicContact CG-CB 4.32Å; S136-D138 VanDerWaalsContact CB-OD1 3.27Å; S136-D138 WeakPolarHBondContact CB-OD1 3.38Å; S136-D138 PolarHBondContact O-N 3.42Å; S136-D138 PolarHBondContact OG-N 2.9Å; S136-D138 PolarHBondContact OG-OD1 2.92Å; D138-V140 PolarHBondContact O-N 3.47Å; D138-V140 VanDerWaalsContact OD1-CB 3.29Å; D138-V140 WeakPolarHBondContact OD1-CB 3.35Å; D138-V140 PolarHBondContact OD1-N 3.29Å; D138-R172 WeakPolarHBondContact O-CD 3.24Å |
| 139 | G | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 75.7 | 9.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S136 R137 R173 | S136-G139 PolarHBondContact O-N 3.19Å; R137-G139 PolarHBondContact O-N 3.2Å; R137-G139 VanDerWaalsContact O-N 3.08Å; G139-R173 WeakPolarHBondContact CA-O 3.22Å |
| 140 | V | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | trans | -99.8 | 141.5 | 176.8 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | H110 S136 D138 K142 T155 E157 | H110-V140 PolarHBondContact CE1-O 3.11Å; S136-V140 PolarHBondContact N-O 3.17Å; D138-V140 PolarHBondContact O-N 3.47Å; D138-V140 VanDerWaalsContact OD1-CB 3.29Å; D138-V140 WeakPolarHBondContact OD1-CB 3.35Å; D138-V140 PolarHBondContact OD1-N 3.29Å; V140-K142 HydrophobicContact CG1-CD 4.48Å; V140-K142 HydrophobicContact CG1-CG 3.95Å; V140-T155 HydrophobicContact CG1-CG2 3.58Å; V140-E157 HydrophobicContact CG1-CB 4.17Å; V140-E157 HydrophobicContact CG2-CB 3.97Å | ||
| 141 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.2 | 166.1 | 179.1 | 0 | 0 | 0 | 0 | 108 | T134 M156 C175 V178 L191 A193 | T134-V141 CarbonylContact O-C 3.48Å; T134-V141 VanDerWaalsContact O-CA 3.29Å; T134-V141 WeakPolarHBondContact O-CA 3.2Å; V141-M156 HydrophobicContact CB-CB 4.28Å; V141-M156 HydrophobicContact CB-CE 4.21Å; V141-M156 HydrophobicContact CG1-CE 3.95Å; V141-M156 HydrophobicContact CG1-SD 4.31Å; V141-M156 PolarHBondContact N-O 3.45Å; V141-M156 VanDerWaalsContact O-CE 3.26Å; V141-M156 WeakPolarHBondContact O-CE 3.38Å; V141-M156 PolarHBondContact O-N 3.09Å; V141-C175 HydrophobicContact CG2-CB 4.46Å; V141-V178 HydrophobicContact CG1-CG1 3.92Å; V141-V178 HydrophobicContact CG2-CG1 4.14Å; V141-L191 HydrophobicContact CG1-CD2 3.55Å; V141-A193 HydrophobicContact CG2-CB 3.72Å |
| 142 | K | 98.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.2 | 177.4 | -69.5 | -178.9 | 178.1 | 176.9 | 0 | 111.2 | A109 A133 T134 V140 W144 P152 A154 T155 | A109-K142 WeakPolarHBondContact O-CD 3.24Å; A109-K142 PolarHBondContact O-NZ 3.08Å; A133-K142 CarbonylContact C-O 3.57Å; A133-K142 VanDerWaalsContact CA-O 3.25Å; A133-K142 WeakPolarHBondContact CA-O 3.21Å; T134-K142 PolarHBondContact N-O 2.95Å; T134-K142 PolarHBondContact O-N 3.25Å; V140-K142 HydrophobicContact CG1-CD 4.48Å; V140-K142 HydrophobicContact CG1-CG 3.95Å; K142-W144 HydrophobicContact CB-CZ2 3.71Å; K142-W144 HydrophobicContact CD-CH2 3.87Å; K142-W144 HydrophobicContact CD-CZ2 3.38Å; K142-W144 HydrophobicContact CG-CZ2 4.17Å; K142-P152 HydrophobicContact CB-CB 4.2Å; K142-P152 HydrophobicContact CD-CB 4.27Å; K142-P152 HydrophobicContact CD-CG 4.28Å; K142-P152 HydrophobicContact CG-CB 4.34Å; K142-A154 WeakPolarHBondContact CA-O 3.42Å; K142-T155 HydrophobicContact CG-CG2 4.18Å |
| 143 | V | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.7 | 170.7 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | E131 I132 A133 P152 V153 A154 M156 F180 L191 L205 | E131-V143 HydrophobicContact CB-CG1 4Å; E131-V143 HydrophobicContact CG-CG1 4.09Å; E131-V143 VanDerWaalsContact OE2-CG1 3.32Å; E131-V143 WeakPolarHBondContact OE2-CG1 3.27Å; I132-V143 CarbonylContact O-C 3.54Å; I132-V143 WeakPolarHBondContact O-CA 3.29Å; A133-V143 HydrophobicContact CB-CG2 4.47Å; V143-P152 CarbonylContact O-C 3.57Å; V143-P152 VanDerWaalsContact O-CA 3.29Å; V143-P152 WeakPolarHBondContact O-CA 3.3Å; V143-P152 WeakPolarHBondContact O-CB 3.06Å; V143-V153 HydrophobicContact CG1-CB 4.31Å; V143-V153 PolarHBondContact O-N 3.44Å; V143-A154 HydrophobicContact CB-CB 4.18Å; V143-A154 HydrophobicContact CG2-CB 4.47Å; V143-A154 PolarHBondContact N-O 3.31Å; V143-A154 PolarHBondContact O-N 3.15Å; V143-M156 HydrophobicContact CG2-CE 4.15Å; V143-F180 HydrophobicContact CG1-CZ 4.24Å; V143-F180 HydrophobicContact CG2-CE1 4.46Å; V143-F180 HydrophobicContact CG2-CZ 4.3Å; V143-L191 HydrophobicContact CG2-CD2 3.65Å; V143-L205 HydrophobicContact CG2-CD1 4.07Å; V143-L205 HydrophobicContact CG2-CD2 4.47Å |
| 144 | W | 98.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.1 | -175.3 | -48.6 | 87 | 0 | 0 | 0 | 109 | L89 V107 A109 E131 I132 T134 K142 P152 | L89-W144 HydrophobicContact CD2-CB 4.16Å; L89-W144 HydrophobicContact CD2-CD2 3.89Å; L89-W144 HydrophobicContact CD2-CG 3.6Å; V107-W144 HydrophobicContact CG1-CE3 4.11Å; V107-W144 HydrophobicContact CG1-CH2 4.08Å; V107-W144 HydrophobicContact CG1-CZ3 3.82Å; V107-W144 HydrophobicContact CG2-CH2 4.31Å; V107-W144 HydrophobicContact CG2-CZ3 4.03Å; A109-W144 HydrophobicContact CB-CH2 3.86Å; A109-W144 HydrophobicContact CB-CZ2 3.29Å; E131-W144 CarbonylContact C-O 3.48Å; E131-W144 WeakPolarHBondContact CA-O 3.43Å; E131-W144 WeakPolarHBondContact CB-O 3.12Å; I132-W144 HydrophobicContact CB-CB 4.4Å; I132-W144 PolarHBondContact N-O 2.98Å; I132-W144 PolarHBondContact O-N 2.96Å; T134-W144 PolarHBondContact OG1-NE1 3.04Å; K142-W144 HydrophobicContact CB-CZ2 3.71Å; K142-W144 HydrophobicContact CD-CH2 3.87Å; K142-W144 HydrophobicContact CD-CZ2 3.38Å; K142-W144 HydrophobicContact CG-CZ2 4.17Å; W144-P152 HydrophobicContact CD2-CB 4.3Å; W144-P152 HydrophobicContact CE3-CB 4.05Å; W144-P152 HydrophobicContact CH2-CB 4.11Å; W144-P152 HydrophobicContact CH2-CG 4.38Å; W144-P152 HydrophobicContact CZ2-CB 4.35Å; W144-P152 HydrophobicContact CZ3-CB 3.96Å; W144-P152 HydrophobicContact CZ3-CG 4.36Å |
| 145 | D | 95.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | trans | -114.9 | 119.1 | 163.1 | 170.4 | -11.8 | 0 | 0 | 0 | 106.5 | E131 R147 Q148 V153 | E131-D145 HydrophobicContact CG-CB 4.28Å; D145-R147 PolarHBondContact O-N 3.24Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.29Å; D145-R147 VanDerWaalsContact OD1-CG 3.32Å; D145-R147 WeakPolarHBondContact OD1-CG 3.36Å; D145-R147 IonicContact OD1-CZ 3.99Å; D145-R147 PolarHBondContact OD1-N 3.29Å; D145-R147 IonicContact OD1-NE 3.66Å; D145-R147 PolarHBondContact OD1-NE 3.38Å; D145-R147 IonicContact OD1-NH2 2.62Å; D145-R147 IonicContact OD2-CZ 2.77Å; D145-R147 IonicContact OD2-NE 3.73Å; D145-R147 PolarHBondContact OD2-NE 3.05Å; D145-R147 IonicContact OD2-NH2 2.73Å; D145-R147 PolarHBondContact OD2-NH2 2.88Å; D145-Q148 HydrophobicContact CB-CG 3.76Å; D145-Q148 WeakPolarHBondContact O-CG 3.23Å; D145-Q148 PolarHBondContact O-N 2.66Å; D145-V153 HydrophobicContact CB-CG2 3.84Å | ||
| 146 | P | 92.8 | Very high | 95.3 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 24% | 0.24 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.7 | -173.1 | 29.3 | -35.7 | 0 | 0 | 0 | 113.9 | I91 | I91-P146 HydrophobicContact CD1-CB 3.43Å; I91-P146 VanDerWaalsContact CD1-CB 3.43Å; I91-P146 HydrophobicContact CD1-CG 4.14Å |
| 147 | R | 92.4 | Very high | 94.9 | Very high | 167 Ų | 167 | 53.8 Ų | 53.8 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -15.4 | 179.4 | -53 | 170.6 | -62.5 | 169 | 10.3 | 112.5 | D145 | D145-R147 PolarHBondContact O-N 3.24Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.29Å; D145-R147 VanDerWaalsContact OD1-CG 3.32Å; D145-R147 WeakPolarHBondContact OD1-CG 3.36Å; D145-R147 IonicContact OD1-CZ 3.99Å; D145-R147 PolarHBondContact OD1-N 3.29Å; D145-R147 IonicContact OD1-NE 3.66Å; D145-R147 PolarHBondContact OD1-NE 3.38Å; D145-R147 IonicContact OD1-NH2 2.62Å; D145-R147 IonicContact OD2-CZ 2.77Å; D145-R147 IonicContact OD2-NE 3.73Å; D145-R147 PolarHBondContact OD2-NE 3.05Å; D145-R147 IonicContact OD2-NH2 2.73Å; D145-R147 PolarHBondContact OD2-NH2 2.88Å |
| 148 | Q | 90.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -100.7 | 177.8 | 178 | 52.2 | 177.9 | -78.6 | 0 | 0 | 111.5 | D145 V153 | D145-Q148 HydrophobicContact CB-CG 3.76Å; D145-Q148 WeakPolarHBondContact O-CG 3.23Å; D145-Q148 PolarHBondContact O-N 2.66Å; Q148-V153 VanDerWaalsContact NE2-CG2 3.3Å |
| 149 | A | 83 | Confident | 93.2 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | trans | -55.2 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L151 | A149-L151 PolarHBondContact O-N 3.39Š| ||
| 150 | K | 90.5 | Very high | 91.6 | Very high | 135 Ų | 135 | 54.7 Ų | 54.7 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -73.7 | 38.6 | 179.8 | -60 | -172.5 | -178.7 | -166.8 | 0 | 113.3 | Y105 G106 V107 | Y105-K150 HydrophobicContact CE2-CG 4.4Å; G106-K150 WeakPolarHBondContact O-CD 3.34Å; G106-K150 VanDerWaalsContact O-CE 3.28Å; G106-K150 WeakPolarHBondContact O-CE 3.27Å; G106-K150 PolarHBondContact O-NZ 3.41Å; V107-K150 HydrophobicContact CB-CB 4.36Å; V107-K150 HydrophobicContact CG2-CB 3.94Å |
| 151 | L | 94.6 | Very high | 89.7 | Confident | 120 Ų | 120 | 59 Ų | 59 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -115.8 | 142.4 | 175.6 | -64.8 | 176.2 | 0 | 0 | 0 | 109.1 | A149 | A149-L151 PolarHBondContact O-N 3.39Š|
| 152 | P | 96.8 | Very high | 87.8 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | trans | -70.7 | 144.5 | 174.8 | 30.2 | -34 | 0 | 0 | 0 | 110.7 | K142 V143 W144 T155 | K142-P152 HydrophobicContact CB-CB 4.2Å; K142-P152 HydrophobicContact CD-CB 4.27Å; K142-P152 HydrophobicContact CD-CG 4.28Å; K142-P152 HydrophobicContact CG-CB 4.34Å; V143-P152 CarbonylContact O-C 3.57Å; V143-P152 VanDerWaalsContact O-CA 3.29Å; V143-P152 WeakPolarHBondContact O-CA 3.3Å; V143-P152 WeakPolarHBondContact O-CB 3.06Å; W144-P152 HydrophobicContact CD2-CB 4.3Å; W144-P152 HydrophobicContact CE3-CB 4.05Å; W144-P152 HydrophobicContact CH2-CB 4.11Å; W144-P152 HydrophobicContact CH2-CG 4.38Å; W144-P152 HydrophobicContact CZ2-CB 4.35Å; W144-P152 HydrophobicContact CZ3-CB 3.96Å; W144-P152 HydrophobicContact CZ3-CG 4.36Å; P152-T155 VanDerWaalsContact CG-OG1 3.3Å; P152-T155 WeakPolarHBondContact CG-OG1 3.41Å | ||
| 153 | V | 95.4 | Very high | 85.9 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 38% | 0.376 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -67.9 | -40.1 | 172.5 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | V143 D145 Q148 | V143-V153 HydrophobicContact CG1-CB 4.31Å; V143-V153 PolarHBondContact O-N 3.44Å; D145-V153 HydrophobicContact CB-CG2 3.84Å; Q148-V153 VanDerWaalsContact NE2-CG2 3.3Å |
| 154 | A | 96.5 | Very high | 83.8 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K142 V143 M156 M208 | K142-A154 WeakPolarHBondContact CA-O 3.42Å; V143-A154 HydrophobicContact CB-CB 4.18Å; V143-A154 HydrophobicContact CG2-CB 4.47Å; V143-A154 PolarHBondContact N-O 3.31Å; V143-A154 PolarHBondContact O-N 3.15Å; A154-M156 HydrophobicContact CB-CE 4.04Å; A154-M208 HydrophobicContact CB-CE 3.93Å; A154-M208 HydrophobicContact CB-SD 4.35Å |
| 155 | T | 97 | Very high | 81.8 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 36% | 0.362 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.8 | 170.8 | -61 | 0 | 0 | 0 | 0 | 107.6 | V140 K142 P152 | V140-T155 HydrophobicContact CG1-CG2 3.58Å; K142-T155 HydrophobicContact CG-CG2 4.18Å; P152-T155 VanDerWaalsContact CG-OG1 3.3Å; P152-T155 WeakPolarHBondContact CG-OG1 3.41Å |
| 156 | M | 96.1 | Very high | 79.7 | Confident | 22 Ų | 22 | 85.4 Ų | 85.4 | 11% | 0.108 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.9 | 175.1 | -63.8 | 120.7 | -65.2 | 0 | 0 | 106.8 | V141 V143 A154 L191 F203 L205 | V141-M156 HydrophobicContact CB-CB 4.28Å; V141-M156 HydrophobicContact CB-CE 4.21Å; V141-M156 HydrophobicContact CG1-CE 3.95Å; V141-M156 HydrophobicContact CG1-SD 4.31Å; V141-M156 PolarHBondContact N-O 3.45Å; V141-M156 VanDerWaalsContact O-CE 3.26Å; V141-M156 WeakPolarHBondContact O-CE 3.38Å; V141-M156 PolarHBondContact O-N 3.09Å; V143-M156 HydrophobicContact CG2-CE 4.15Å; A154-M156 HydrophobicContact CB-CE 4.04Å; M156-L191 HydrophobicContact CE-CD2 4.45Å; M156-L191 HydrophobicContact SD-CD2 4.21Å; M156-F203 HydrophobicContact CB-CD1 4.37Å; M156-F203 HydrophobicContact CB-CE1 3.93Å; M156-F203 HydrophobicContact CB-CE2 4.21Å; M156-F203 HydrophobicContact CB-CZ 3.84Å; M156-F203 HydrophobicContact CG-CD1 3.81Å; M156-F203 HydrophobicContact CG-CD2 4.2Å; M156-F203 HydrophobicContact CG-CE1 3.9Å; M156-F203 HydrophobicContact CG-CE2 4.28Å; M156-F203 HydrophobicContact CG-CG 3.96Å; M156-F203 HydrophobicContact CG-CZ 4.13Å; M156-F203 HydrophobicContact SD-CB 4.17Å; M156-F203 HydrophobicContact SD-CD1 4.3Å; M156-F203 HydrophobicContact SD-CD2 3.78Å; M156-F203 HydrophobicContact SD-CE2 4.21Å; M156-F203 HydrophobicContact SD-CG 3.82Å; M156-L205 HydrophobicContact SD-CD2 4.12Å |
| 157 | E | 91.3 | Very high | 77.7 | Confident | 110 Ų | 110 | 85.5 Ų | 85.5 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | trans | -134.1 | 152.5 | -179.3 | 62.2 | -176 | 164.1 | 0 | 0 | 110.8 | V140 V159 R172 | V140-E157 HydrophobicContact CG1-CB 4.17Å; V140-E157 HydrophobicContact CG2-CB 3.97Å; E157-V159 PolarHBondContact O-N 3.04Å; E157-R172 IonicContact OE2-NH2 2.66Å | ||
| 158 | P | 83.2 | Confident | 75.7 | Confident | 36 Ų | 36 | 78 Ų | 78 | 23% | 0.234 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 134.3 | 174.7 | -22.5 | 33.4 | 0 | 0 | 0 | 111.3 | R172 | P158-R172 HydrophobicContact CG-CG 4.07Š|
| 159 | V | 74.6 | Confident | 74.2 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 129.9 | 171.2 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | E157 | E157-V159 PolarHBondContact O-N 3.04Š|
| 160 | S | 61.6 | Low | 73 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 133.7 | 167.1 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | D162 G163 K164 | S160-D162 PolarHBondContact O-N 3.25Å; S160-D162 VanDerWaalsContact O-N 3.12Å; S160-G163 PolarHBondContact O-N 3.14Å; S160-G163 WeakPolarHBondContact OG-CA 3.29Å; S160-G163 PolarHBondContact OG-N 3.48Å; S160-K164 VanDerWaalsContact CB-O 3.29Å; S160-K164 WeakPolarHBondContact CB-O 3.37Å; S160-K164 PolarHBondContact OG-N 2.92Å |
| 161 | P | 56.8 | Low | 72.1 | Confident | 97 Ų | 97 | 80.4 Ų | 80.4 | 63% | 0.63 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -38.8 | 175.9 | -24.1 | 31.7 | 0 | 0 | 0 | 112.9 | ||
| 162 | D | 60.2 | Low | 71.7 | Confident | 116 Ų | 116 | 78 Ų | 78 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 6.6 | -174.7 | -60.9 | -16.4 | 0 | 0 | 0 | 113.7 | S160 K164 | S160-D162 PolarHBondContact O-N 3.25Å; S160-D162 VanDerWaalsContact O-N 3.12Å; D162-K164 HydrophobicContact CB-CB 4.41Å; D162-K164 HydrophobicContact CB-CD 4.36Å; D162-K164 HydrophobicContact CB-CG 4.23Å; D162-K164 PolarHBondContact O-N 3.14Å |
| 163 | G | 57.5 | Low | 71.5 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 67% | 0.67 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 66.3 | -0.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | S160 | S160-G163 PolarHBondContact O-N 3.14Å; S160-G163 WeakPolarHBondContact OG-CA 3.29Å; S160-G163 PolarHBondContact OG-N 3.48Å |
| 164 | K | 55.4 | Low | 71.6 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 62% | 0.622 | 43% | 0.428 | S | S | * | . | trans | -86.6 | 122.4 | -178.1 | -68.1 | -180 | -177.4 | 172.8 | 0 | 111.4 | S160 D162 N166 S167 | S160-K164 VanDerWaalsContact CB-O 3.29Å; S160-K164 WeakPolarHBondContact CB-O 3.37Å; S160-K164 PolarHBondContact OG-N 2.92Å; D162-K164 HydrophobicContact CB-CB 4.41Å; D162-K164 HydrophobicContact CB-CD 4.36Å; D162-K164 HydrophobicContact CB-CG 4.23Å; D162-K164 PolarHBondContact O-N 3.14Å; K164-N166 PolarHBondContact O-N 2.92Å; K164-N166 VanDerWaalsContact O-N 3.11Å; K164-S167 PolarHBondContact O-N 2.95Å | ||
| 165 | E | 55.4 | Low | 71.7 | Confident | 150 Ų | 150 | 79.1 Ų | 79.1 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -53.7 | -34.7 | -178 | -153 | 176.8 | -176.7 | 0 | 0 | 113.4 | S167 V168 | E165-S167 PolarHBondContact O-N 3.33Å; E165-V168 WeakPolarHBondContact O-CB 3.43Å; E165-V168 VanDerWaalsContact O-CG2 3.22Å; E165-V168 WeakPolarHBondContact O-CG2 3.46Å; E165-V168 PolarHBondContact O-N 3.24Å; E165-V168 VanDerWaalsContact O-N 3.17Å |
| 166 | N | 51.2 | Low | 71.8 | Confident | 143 Ų | 143 | 79.3 Ų | 79.3 | 77% | 0.765 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71 | -26.4 | -179.3 | -66.7 | -9 | 0 | 0 | 0 | 114 | K164 V168 T169 | K164-N166 PolarHBondContact O-N 2.92Å; K164-N166 VanDerWaalsContact O-N 3.11Å; N166-V168 VanDerWaalsContact C-N 3.27Å; N166-T169 PolarHBondContact O-OG1 2.89Å |
| 167 | S | 50.8 | Low | 71.9 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77.4 | -18.1 | 174.3 | 177 | 0 | 0 | 0 | 0 | 111.5 | K164 E165 T169 | K164-S167 PolarHBondContact O-N 2.95Å; E165-S167 PolarHBondContact O-N 3.33Å; S167-T169 VanDerWaalsContact C-N 3.31Å; S167-T169 PolarHBondContact O-N 3Å |
| 168 | V | 51.8 | Low | 72.3 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.1 | -34.5 | -178.6 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | E165 N166 E170 N171 R172 | E165-V168 WeakPolarHBondContact O-CB 3.43Å; E165-V168 VanDerWaalsContact O-CG2 3.22Å; E165-V168 WeakPolarHBondContact O-CG2 3.46Å; E165-V168 PolarHBondContact O-N 3.24Å; E165-V168 VanDerWaalsContact O-N 3.17Å; N166-V168 VanDerWaalsContact C-N 3.27Å; V168-E170 PolarHBondContact O-N 2.93Å; V168-N171 PolarHBondContact O-N 2.86Å; V168-R172 HydrophobicContact CG1-CG 4.2Å; V168-R172 WeakPolarHBondContact O-CG 3.17Å; V168-R172 PolarHBondContact O-N 3.41Å; V168-R172 VanDerWaalsContact O-N 3.16Å |
| 169 | T | 57.7 | Low | 73 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 56% | 0.564 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | -175 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | N166 S167 N171 | N166-T169 PolarHBondContact O-OG1 2.89Å; S167-T169 VanDerWaalsContact C-N 3.31Å; S167-T169 PolarHBondContact O-N 3Å; T169-N171 VanDerWaalsContact C-N 3.29Å; T169-N171 PolarHBondContact O-N 2.85Å |
| 170 | E | 59.1 | Low | 74.2 | Confident | 170 Ų | 170 | 66.4 Ų | 66.4 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -73 | -24.2 | 178.8 | -70.7 | -175.7 | 169.2 | 0 | 0 | 112.6 | V168 | V168-E170 PolarHBondContact O-N 2.93Å |
| 171 | N | 70.6 | Confident | 75.9 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 40% | 0.401 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -95.8 | -5.2 | -178 | -150.9 | 23 | 0 | 0 | 0 | 113.7 | V168 T169 R173 | V168-N171 PolarHBondContact O-N 2.86Å; T169-N171 VanDerWaalsContact C-N 3.29Å; T169-N171 PolarHBondContact O-N 2.85Å; N171-R173 PolarHBondContact O-N 2.97Å |
| 172 | R | 86.1 | Confident | 77.9 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | trans | -74.7 | 125.1 | 176 | -82.9 | 165.3 | 174.8 | 164.1 | 9.9 | 110.2 | D138 E157 P158 V168 | D138-R172 WeakPolarHBondContact O-CD 3.24Å; E157-R172 IonicContact OE2-NH2 2.66Å; P158-R172 HydrophobicContact CG-CG 4.07Å; V168-R172 HydrophobicContact CG1-CG 4.2Å; V168-R172 WeakPolarHBondContact O-CG 3.17Å; V168-R172 PolarHBondContact O-N 3.41Å; V168-R172 VanDerWaalsContact O-N 3.16Å | ||
| 173 | R | 93.9 | Very high | 79.7 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 42% | 0.415 | 29% | 0.288 | S | S | . | . | trans | -105.3 | 143.9 | 177.9 | -65.1 | -63.2 | -179.2 | -178.9 | -6.3 | 109.7 | G139 N171 C175 Y195 D196 N197 | G139-R173 WeakPolarHBondContact CA-O 3.22Å; N171-R173 PolarHBondContact O-N 2.97Å; R173-C175 PolarHBondContact O-N 3.03Å; R173-Y195 HydrophobicContact CB-CD1 3.97Å; R173-Y195 HydrophobicContact CB-CG 4.37Å; R173-Y195 WeakPolarHBondContact O-CD1 3.12Å; R173-D196 WeakPolarHBondContact CB-OD1 3.29Å; R173-N197 HydrophobicContact CG-CB 4.48Å | ||
| 174 | D | 97.3 | Very high | 81.5 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | trans | -69.1 | 114.4 | -175.6 | -173.5 | -15.7 | 0 | 0 | 0 | 108.9 | N115 R137 W176 Y195 D196 | N115-D174 PolarHBondContact ND2-OD1 3.25Å; R137-D174 WeakPolarHBondContact CA-OD1 3.43Å; R137-D174 WeakPolarHBondContact CB-OD1 3.45Å; R137-D174 HydrophobicContact CG-CB 4.42Å; R137-D174 IonicContact CZ-OD2 2.64Å; R137-D174 IonicContact NE-OD2 3.82Å; R137-D174 PolarHBondContact NE-OD2 2.81Å; R137-D174 VanDerWaalsContact NE-OD2 3.09Å; R137-D174 IonicContact NH2-OD2 3.55Å; D174-W176 VanDerWaalsContact CG-CD1 3.45Å; D174-W176 PolarHBondContact O-N 3.47Å; D174-W176 PolarHBondContact OD1-NE1 2.84Å; D174-W176 PolarHBondContact OD2-NE1 2.8Å; D174-Y195 CarbonylContact O-C 3.58Å; D174-Y195 VanDerWaalsContact O-CA 3.28Å; D174-Y195 WeakPolarHBondContact O-CA 3.37Å; D174-D196 HydrophobicContact CB-CB 4.04Å; D174-D196 PolarHBondContact N-OD1 3.25Å; D174-D196 VanDerWaalsContact N-OD1 3.16Å; D174-D196 PolarHBondContact O-N 3.38Å | ||
| 175 | C | 98.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113.6 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | N115 S136 V141 R173 Y195 | N115-C175 WeakPolarHBondContact CB-O 3.26Å; N115-C175 PolarHBondContact ND2-O 2.93Å; S136-C175 VanDerWaalsContact O-CB 3.29Å; S136-C175 WeakPolarHBondContact O-CB 3.32Å; S136-C175 PolarHBondContact O-N 2.83Å; V141-C175 HydrophobicContact CG2-CB 4.46Å; R173-C175 PolarHBondContact O-N 3.03Å; C175-Y195 HydrophobicContact CB-CD1 3.8Å; C175-Y195 HydrophobicContact CB-CE1 3.63Å |
| 176 | W | 98.8 | Very high | 85.2 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -25.9 | -173.4 | -75.3 | 0.8 | 0 | 0 | 0 | 113.9 | A116 D174 G194 D196 V220 L240 | A116-W176 WeakPolarHBondContact CB-O 3.41Å; D174-W176 VanDerWaalsContact CG-CD1 3.45Å; D174-W176 PolarHBondContact O-N 3.47Å; D174-W176 PolarHBondContact OD1-NE1 2.84Å; D174-W176 PolarHBondContact OD2-NE1 2.8Å; W176-G194 PolarHBondContact N-O 3.47Å; W176-D196 HydrophobicContact CD2-CB 4.18Å; W176-D196 HydrophobicContact CH2-CB 4.04Å; W176-D196 HydrophobicContact CZ2-CB 3.49Å; W176-D196 VanDerWaalsContact CZ2-CB 3.49Å; W176-V220 VanDerWaalsContact CB-O 3.3Å; W176-V220 WeakPolarHBondContact CB-O 3.25Å; W176-L240 HydrophobicContact CH2-CD1 4.46Å; W176-L240 HydrophobicContact CH2-CD2 4.17Å; W176-L240 HydrophobicContact CZ3-CB 4.33Å; W176-L240 HydrophobicContact CZ3-CD1 4.41Å; W176-L240 HydrophobicContact CZ3-CD2 4.49Å |
| 177 | T | 98.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 145.7 | -175.9 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | A193 G194 V220 C222 L223 | T177-A193 CarbonylContact O-C 3.57Å; T177-A193 VanDerWaalsContact O-CA 3.3Å; T177-A193 WeakPolarHBondContact O-CA 3.44Å; T177-G194 PolarHBondContact N-O 3.43Å; T177-G194 PolarHBondContact O-N 2.74Å; T177-V220 HydrophobicContact CG2-CB 4.38Å; T177-V220 HydrophobicContact CG2-CG1 3.88Å; T177-C222 WeakPolarHBondContact OG1-CA 3.4Å; T177-L223 HydrophobicContact CG2-CB 3.98Å; T177-L223 HydrophobicContact CG2-CD1 3.79Å; T177-L223 HydrophobicContact CG2-CG 3.68Å; T177-L223 PolarHBondContact OG1-N 2.77Å |
| 178 | V | 98.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.5 | 169.3 | -67.2 | 0 | 0 | 0 | 0 | 109.5 | A116 D118 A133 V141 L191 T192 A193 | A116-V178 HydrophobicContact CB-CG2 4.03Å; D118-V178 HydrophobicContact CB-CG2 4.28Å; A133-V178 HydrophobicContact CB-CB 4.46Å; A133-V178 HydrophobicContact CB-CG2 4.14Å; V141-V178 HydrophobicContact CG1-CG1 3.92Å; V141-V178 HydrophobicContact CG2-CG1 4.14Å; V178-L191 HydrophobicContact CB-CD1 4.25Å; V178-T192 CarbonylContact C-O 3.55Å; V178-T192 WeakPolarHBondContact CA-O 3.42Å; V178-A193 HydrophobicContact CG1-CB 4.28Å |
| 179 | A | 98.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 129.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D118 T192 L223 | D118-A179 WeakPolarHBondContact OD2-CA 3.27Å; A179-T192 HydrophobicContact CB-CG2 3.82Å; A179-T192 PolarHBondContact N-O 3.18Å; A179-T192 WeakPolarHBondContact O-CG2 3.39Å; A179-T192 PolarHBondContact O-N 3.34Å; A179-L223 HydrophobicContact CB-CB 4.38Å; A179-L223 VanDerWaalsContact CB-O 3.27Å; A179-L223 WeakPolarHBondContact CB-O 3.47Å |
| 180 | F | 98.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 147.8 | 171 | -77.7 | -71 | 0 | 0 | 0 | 111.2 | D118 V120 E131 A133 V143 R189 C190 L191 L205 F225 K228 | D118-F180 HydrophobicContact CB-CD2 4.24Å; D118-F180 PolarHBondContact OD2-N 2.79Å; V120-F180 HydrophobicContact CB-CB 4.06Å; V120-F180 HydrophobicContact CB-CD2 3.9Å; V120-F180 HydrophobicContact CB-CE2 4.43Å; V120-F180 HydrophobicContact CB-CG 3.94Å; V120-F180 HydrophobicContact CG1-CB 4.35Å; V120-F180 HydrophobicContact CG1-CD1 3.92Å; V120-F180 HydrophobicContact CG1-CD2 3.74Å; V120-F180 HydrophobicContact CG1-CE1 4.04Å; V120-F180 HydrophobicContact CG1-CE2 3.85Å; V120-F180 HydrophobicContact CG1-CG 3.75Å; V120-F180 HydrophobicContact CG1-CZ 4Å; V120-F180 HydrophobicContact CG2-CB 4.47Å; E131-F180 HydrophobicContact CB-CZ 4.12Å; A133-F180 HydrophobicContact CB-CD2 4.21Å; A133-F180 HydrophobicContact CB-CE1 4.47Å; A133-F180 HydrophobicContact CB-CE2 3.47Å; A133-F180 VanDerWaalsContact CB-CE2 3.47Å; A133-F180 HydrophobicContact CB-CZ 3.62Å; V143-F180 HydrophobicContact CG1-CZ 4.24Å; V143-F180 HydrophobicContact CG2-CE1 4.46Å; V143-F180 HydrophobicContact CG2-CZ 4.3Å; F180-R189 HydrophobicContact CD1-CG 4.04Å; F180-R189 HydrophobicContact CE1-CG 4.27Å; F180-C190 WeakPolarHBondContact CA-O 3.27Å; F180-L191 HydrophobicContact CD1-CB 4.39Å; F180-L191 HydrophobicContact CD1-CD1 3.94Å; F180-L191 HydrophobicContact CD2-CD1 4.39Å; F180-L191 HydrophobicContact CE1-CB 4.44Å; F180-L191 HydrophobicContact CE1-CD1 4.08Å; F180-L191 HydrophobicContact CG-CD1 4.12Å; F180-L191 HydrophobicContact CZ-CD1 4.38Å; F180-L205 HydrophobicContact CE1-CD1 3.88Å; F180-F225 VanDerWaalsContact O-CD2 3.31Å; F180-F225 WeakPolarHBondContact O-CD2 3.3Å; F180-K228 HydrophobicContact CB-CD 4.37Å |
| 181 | G | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 178.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | A183 C190 | G181-A183 PolarHBondContact O-N 2.62Å; G181-A183 VanDerWaalsContact O-N 3.1Å; G181-C190 PolarHBondContact N-O 2.98Å; G181-C190 PolarHBondContact O-N 2.93Å |
| 182 | H | 98 | Very high | 96.8 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | trans | 58.5 | 21.5 | 178.8 | -146.8 | 37.9 | 0 | 0 | 0 | 115.1 | Y184 D188 C190 R211 I230 S231 M232 | H182-Y184 AromaticContact CE1-CD1 3.96Å; H182-Y184 AromaticContact CE1-CE1 3.26Å; H182-Y184 WeakPolarHBondContact CE1-CE1 3.33Å; H182-Y184 AromaticContact CG-CE1 3.91Å; H182-Y184 AromaticContact ND1-CD1 3.62Å; H182-Y184 AromaticContact ND1-CE1 3.38Å; H182-Y184 WeakPolarHBondContact ND1-CE1 3.32Å; H182-Y184 AromaticContact NE2-CE1 3.73Å; H182-Y184 VanDerWaalsContact O-CD1 3.25Å; H182-Y184 WeakPolarHBondContact O-CD1 3.5Å; H182-Y184 PolarHBondContact O-N 3.29Å; H182-D188 CarbonylContact O-C 3.43Å; H182-C190 HydrophobicContact CB-CB 3.82Å; H182-R211 PolarHBondContact CD2-NH1 3.21Å; H182-R211 VanDerWaalsContact CD2-NH1 3.3Å; H182-R211 PolarHBondContact NE2-NH1 2.96Å; H182-R211 VanDerWaalsContact NE2-NH1 3.12Å; H182-I230 WeakPolarHBondContact CA-O 3.46Å; H182-S231 PolarHBondContact CE1-OG 3.02Å; H182-S231 VanDerWaalsContact CE1-OG 3.31Å; H182-S231 WeakPolarHBondContact ND1-CA 3.32Å; H182-M232 HydrophobicContact CB-CE 4.38Å; H182-M232 HydrophobicContact CB-CG 3.47Å; H182-M232 VanDerWaalsContact CB-CG 3.47Å; H182-M232 HydrophobicContact CB-SD 3.99Å; H182-M232 PolarHBondContact ND1-N 3.12Å | ||
| 183 | A | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -90.6 | 45.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V120 G126 E127 G181 D188 R189 K228 | V120-A183 HydrophobicContact CG2-CB 3.87Å; G126-A183 CarbonylContact C-O 3.56Å; G126-A183 VanDerWaalsContact CA-O 3.23Å; G126-A183 WeakPolarHBondContact CA-O 3.17Å; E127-A183 PolarHBondContact N-O 2.82Å; G181-A183 PolarHBondContact O-N 2.62Å; G181-A183 VanDerWaalsContact O-N 3.1Å; A183-D188 WeakPolarHBondContact CA-O 3.36Å; A183-R189 HydrophobicContact CB-CG 4.41Å; A183-K228 WeakPolarHBondContact CA-O 3.23Å; A183-K228 WeakPolarHBondContact CB-O 3.23Å; A183-K228 PolarHBondContact N-O 2.79Å | ||
| 184 | Y | 96.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 25.2 Ų | 25.2 | 33% | 0.325 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -88.9 | -4.6 | -170.8 | 66.8 | -79 | 0 | 0 | 0 | 114.4 | H182 D188 D229 I230 | H182-Y184 AromaticContact CE1-CD1 3.96Å; H182-Y184 AromaticContact CE1-CE1 3.26Å; H182-Y184 WeakPolarHBondContact CE1-CE1 3.33Å; H182-Y184 AromaticContact CG-CE1 3.91Å; H182-Y184 AromaticContact ND1-CD1 3.62Å; H182-Y184 AromaticContact ND1-CE1 3.38Å; H182-Y184 WeakPolarHBondContact ND1-CE1 3.32Å; H182-Y184 AromaticContact NE2-CE1 3.73Å; H182-Y184 VanDerWaalsContact O-CD1 3.25Å; H182-Y184 WeakPolarHBondContact O-CD1 3.5Å; H182-Y184 PolarHBondContact O-N 3.29Å; Y184-D188 HydrophobicContact CD1-CB 4.48Å; Y184-D188 HydrophobicContact CE1-CB 3.72Å; Y184-D188 VanDerWaalsContact CZ-OD2 3.3Å; Y184-D188 PolarHBondContact OH-OD2 2.99Å; Y184-D229 WeakPolarHBondContact CA-O 3.25Å; Y184-D229 WeakPolarHBondContact CB-O 3.03Å; Y184-I230 VanDerWaalsContact CB-C 3.44Å |
| 185 | N | 96 | Very high | 97.7 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -147.5 | 169 | 170.9 | 66.7 | 57.1 | 0 | 0 | 0 | 109.2 | E127 H187 D188 | E127-N185 VanDerWaalsContact OE2-CA 3.25Å; E127-N185 WeakPolarHBondContact OE2-CA 3.23Å; N185-H187 PolarHBondContact O-N 2.8Å; N185-H187 WeakPolarHBondContact OD1-CA 3.34Å; N185-H187 WeakPolarHBondContact OD1-CB 3.22Å; N185-H187 PolarHBondContact OD1-N 2.64Å; N185-D188 PolarHBondContact ND2-OD2 2.93Å; N185-D188 PolarHBondContact OD1-N 2.92Å |
| 186 | K | 92.7 | Very high | 97.6 | Very high | 146 Ų | 146 | 27.4 Ų | 27.4 | 64% | 0.635 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -61.7 | -7.5 | -179.5 | 71.4 | -176 | -178.2 | -177.1 | 0 | 116.5 | E127 | E127-K186 PolarHBondContact OE2-N 2.93Š|
| 187 | H | 93.9 | Very high | 97.5 | Very high | 106 Ų | 106 | 26.5 Ų | 26.5 | 49% | 0.491 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -112.3 | -47.1 | -174.1 | -59.4 | -63.2 | 0 | 0 | 0 | 113.2 | N185 | N185-H187 PolarHBondContact O-N 2.8Å; N185-H187 WeakPolarHBondContact OD1-CA 3.34Å; N185-H187 WeakPolarHBondContact OD1-CB 3.22Å; N185-H187 PolarHBondContact OD1-N 2.64Å |
| 188 | D | 96.2 | Very high | 97.5 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 13% | 0.128 | 12% | 0.121 | C | C | . | . | trans | -84.6 | 133.6 | -174.6 | -60.9 | -40.5 | 0 | 0 | 0 | 109.9 | H182 A183 Y184 N185 R206 | H182-D188 CarbonylContact O-C 3.43Å; A183-D188 WeakPolarHBondContact CA-O 3.36Å; Y184-D188 HydrophobicContact CD1-CB 4.48Å; Y184-D188 HydrophobicContact CE1-CB 3.72Å; Y184-D188 VanDerWaalsContact CZ-OD2 3.3Å; Y184-D188 PolarHBondContact OH-OD2 2.99Å; N185-D188 PolarHBondContact ND2-OD2 2.93Å; N185-D188 PolarHBondContact OD1-N 2.92Å; D188-R206 WeakPolarHBondContact OD1-CD 3.27Å; D188-R206 IonicContact OD1-CZ 2.85Å; D188-R206 IonicContact OD1-NH1 3.53Å; D188-R206 PolarHBondContact OD1-NH1 3.19Å; D188-R206 IonicContact OD2-NH1 3.29Å | ||
| 189 | R | 97.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 8% | 0.075 | 13% | 0.129 | C | C | . | . | trans | -157.1 | 130.9 | 176.3 | -169.3 | 173.6 | -65.4 | -161.6 | -3.3 | 108.9 | E127 A129 E131 F180 A183 L205 | E127-R189 PolarHBondContact O-NH2 3.25Å; A129-R189 PolarHBondContact O-NH1 3.33Å; A129-R189 PolarHBondContact O-NH2 2.91Å; E131-R189 IonicContact OE1-NH1 2.72Å; E131-R189 WeakPolarHBondContact OE2-CD 3.37Å; E131-R189 IonicContact OE2-CZ 2.83Å; E131-R189 IonicContact OE2-NE 3.99Å; E131-R189 IonicContact OE2-NH1 3.67Å; E131-R189 PolarHBondContact OE2-NH1 3.04Å; F180-R189 HydrophobicContact CD1-CG 4.04Å; F180-R189 HydrophobicContact CE1-CG 4.27Å; A183-R189 HydrophobicContact CB-CG 4.41Å; R189-L205 HydrophobicContact CB-CB 4.39Å; R189-L205 HydrophobicContact CB-CD1 4.44Å; R189-L205 HydrophobicContact CG-CD1 3.94Å; R189-L205 PolarHBondContact O-N 3.42Å | ||
| 190 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.4 | 170.9 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | F180 G181 H182 L202 F203 M232 | F180-C190 WeakPolarHBondContact CA-O 3.27Å; G181-C190 PolarHBondContact N-O 2.98Å; G181-C190 PolarHBondContact O-N 2.93Å; H182-C190 HydrophobicContact CB-CB 3.82Å; C190-L202 HydrophobicContact CB-CD1 3.74Å; C190-L202 HydrophobicContact CB-CG 4.48Å; C190-F203 CarbonylContact C-O 3.57Å; C190-F203 WeakPolarHBondContact CA-O 2.97Å; C190-F203 WeakPolarHBondContact CB-O 3.47Å; C190-M232 HydrophobicContact CB-SD 4.12Å |
| 191 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.5 | 171.7 | -179.3 | 64.2 | 0 | 0 | 0 | 107.8 | A133 V141 V143 M156 V178 F180 F203 L205 | A133-L191 HydrophobicContact CB-CD1 3.55Å; A133-L191 HydrophobicContact CB-CD2 3.81Å; A133-L191 HydrophobicContact CB-CG 4.35Å; V141-L191 HydrophobicContact CG1-CD2 3.55Å; V143-L191 HydrophobicContact CG2-CD2 3.65Å; M156-L191 HydrophobicContact CE-CD2 4.45Å; M156-L191 HydrophobicContact SD-CD2 4.21Å; V178-L191 HydrophobicContact CB-CD1 4.25Å; F180-L191 HydrophobicContact CD1-CB 4.39Å; F180-L191 HydrophobicContact CD1-CD1 3.94Å; F180-L191 HydrophobicContact CD2-CD1 4.39Å; F180-L191 HydrophobicContact CE1-CB 4.44Å; F180-L191 HydrophobicContact CE1-CD1 4.08Å; F180-L191 HydrophobicContact CG-CD1 4.12Å; F180-L191 HydrophobicContact CZ-CD1 4.38Å; L191-F203 PolarHBondContact N-O 2.67Å; L191-F203 WeakPolarHBondContact O-CD2 3.28Å; L191-F203 PolarHBondContact O-N 3.16Å; L191-L205 HydrophobicContact CB-CD1 4.22Å; L191-L205 HydrophobicContact CB-CD2 4.34Å; L191-L205 HydrophobicContact CB-CG 4.37Å |
| 192 | T | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 145.2 | 170.7 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | V178 A179 K201 L223 F225 L235 | V178-T192 CarbonylContact C-O 3.55Å; V178-T192 WeakPolarHBondContact CA-O 3.42Å; A179-T192 HydrophobicContact CB-CG2 3.82Å; A179-T192 PolarHBondContact N-O 3.18Å; A179-T192 WeakPolarHBondContact O-CG2 3.39Å; A179-T192 PolarHBondContact O-N 3.34Å; T192-K201 CarbonylContact C-O 3.54Å; T192-K201 VanDerWaalsContact CA-O 3.23Å; T192-K201 WeakPolarHBondContact CA-O 3.05Å; T192-K201 PolarHBondContact OG1-O 3.16Å; T192-L223 HydrophobicContact CG2-CB 3.75Å; T192-L223 HydrophobicContact CG2-CD1 3.72Å; T192-L223 HydrophobicContact CG2-CG 4.25Å; T192-F225 HydrophobicContact CG2-CD2 4.48Å; T192-F225 HydrophobicContact CG2-CE2 3.8Å; T192-F225 HydrophobicContact CG2-CZ 4.48Å; T192-L235 HydrophobicContact CG2-CD1 4.03Å |
| 193 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V141 T177 V178 Y195 I200 K201 F203 L223 | V141-A193 HydrophobicContact CG2-CB 3.72Å; T177-A193 CarbonylContact O-C 3.57Å; T177-A193 VanDerWaalsContact O-CA 3.3Å; T177-A193 WeakPolarHBondContact O-CA 3.44Å; V178-A193 HydrophobicContact CG1-CB 4.28Å; A193-Y195 HydrophobicContact CB-CE2 3.91Å; A193-I200 CarbonylContact O-C 3.56Å; A193-I200 VanDerWaalsContact O-CA 3.3Å; A193-I200 WeakPolarHBondContact O-CA 3.28Å; A193-K201 PolarHBondContact N-O 3.48Å; A193-K201 PolarHBondContact O-N 3.39Å; A193-F203 HydrophobicContact CB-CE2 3.87Å; A193-L223 VanDerWaalsContact C-CD1 3.5Å |
| 194 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W176 T177 D199 | W176-G194 PolarHBondContact N-O 3.47Å; T177-G194 PolarHBondContact N-O 3.43Å; T177-G194 PolarHBondContact O-N 2.74Å; G194-D199 WeakPolarHBondContact CA-O 3.42Å |
| 195 | Y | 98.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 163.2 | -170.9 | -59.5 | -95.8 | 0 | 0 | 0 | 112.7 | R173 D174 C175 A193 N197 G198 D199 K201 V220 | R173-Y195 HydrophobicContact CB-CD1 3.97Å; R173-Y195 HydrophobicContact CB-CG 4.37Å; R173-Y195 WeakPolarHBondContact O-CD1 3.12Å; D174-Y195 CarbonylContact O-C 3.58Å; D174-Y195 VanDerWaalsContact O-CA 3.28Å; D174-Y195 WeakPolarHBondContact O-CA 3.37Å; C175-Y195 HydrophobicContact CB-CD1 3.8Å; C175-Y195 HydrophobicContact CB-CE1 3.63Å; A193-Y195 HydrophobicContact CB-CE2 3.91Å; Y195-N197 VanDerWaalsContact C-N 3.26Å; Y195-N197 WeakPolarHBondContact CB-OD1 3.41Å; Y195-N197 PolarHBondContact O-N 3.03Å; Y195-G198 PolarHBondContact O-N 3.45Å; Y195-G198 VanDerWaalsContact O-N 3.08Å; Y195-D199 HydrophobicContact CD2-CB 3.88Å; Y195-D199 WeakPolarHBondContact CD2-O 3.28Å; Y195-D199 HydrophobicContact CG-CB 4.4Å; Y195-D199 PolarHBondContact N-O 3.23Å; Y195-K201 HydrophobicContact CE2-CB 4.46Å; Y195-K201 HydrophobicContact CE2-CD 4.2Å; Y195-K201 HydrophobicContact CE2-CG 4.17Å; Y195-V220 PolarHBondContact O-N 2.9Å |
| 196 | D | 97.8 | Very high | 97.5 | Very high | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.1 | 178.7 | 69.8 | -33.5 | 0 | 0 | 0 | 114.6 | R173 D174 W176 G198 G219 | R173-D196 WeakPolarHBondContact CB-OD1 3.29Å; D174-D196 HydrophobicContact CB-CB 4.04Å; D174-D196 PolarHBondContact N-OD1 3.25Å; D174-D196 VanDerWaalsContact N-OD1 3.16Å; D174-D196 PolarHBondContact O-N 3.38Å; W176-D196 HydrophobicContact CD2-CB 4.18Å; W176-D196 HydrophobicContact CH2-CB 4.04Å; W176-D196 HydrophobicContact CZ2-CB 3.49Å; W176-D196 VanDerWaalsContact CZ2-CB 3.49Å; D196-G198 VanDerWaalsContact C-N 3.28Å; D196-G198 PolarHBondContact O-N 2.91Å; D196-G219 WeakPolarHBondContact O-CA 3.35Å; D196-G219 PolarHBondContact O-N 3Å |
| 197 | N | 96.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.4 | 177.6 | 73.3 | -18.3 | 0 | 0 | 0 | 114 | R173 Y195 D199 N215 | R173-N197 HydrophobicContact CG-CB 4.48Å; Y195-N197 VanDerWaalsContact C-N 3.26Å; Y195-N197 WeakPolarHBondContact CB-OD1 3.41Å; Y195-N197 PolarHBondContact O-N 3.03Å; N197-D199 VanDerWaalsContact ND2-CG 3.34Å; N197-D199 PolarHBondContact ND2-OD2 3.03Å; N197-D199 WeakPolarHBondContact OD1-CB 3.29Å; N197-D199 PolarHBondContact OD1-N 3.27Å; N197-D199 PolarHBondContact OD1-OD2 3.48Å; N197-N215 PolarHBondContact O-ND2 3.19Å; N197-N215 VanDerWaalsContact O-ND2 3.1Å |
| 198 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 85.9 | 7.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y195 D196 N215 I216 N218 | Y195-G198 PolarHBondContact O-N 3.45Å; Y195-G198 VanDerWaalsContact O-N 3.08Å; D196-G198 VanDerWaalsContact C-N 3.28Å; D196-G198 PolarHBondContact O-N 2.91Å; G198-N215 CarbonylContact O-C 3.5Å; G198-N215 VanDerWaalsContact O-CA 3.31Å; G198-N215 WeakPolarHBondContact O-CA 3.25Å; G198-I216 WeakPolarHBondContact O-CG1 3.4Å; G198-I216 PolarHBondContact O-N 2.88Å; G198-N218 WeakPolarHBondContact CA-O 3.36Å |
| 199 | D | 98.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 21% | 0.214 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.1 | 169.2 | -71.8 | -23.4 | 0 | 0 | 0 | 110.4 | G194 Y195 N197 A214 N215 | G194-D199 WeakPolarHBondContact CA-O 3.42Å; Y195-D199 HydrophobicContact CD2-CB 3.88Å; Y195-D199 WeakPolarHBondContact CD2-O 3.28Å; Y195-D199 HydrophobicContact CG-CB 4.4Å; Y195-D199 PolarHBondContact N-O 3.23Å; N197-D199 VanDerWaalsContact ND2-CG 3.34Å; N197-D199 PolarHBondContact ND2-OD2 3.03Å; N197-D199 WeakPolarHBondContact OD1-CB 3.29Å; N197-D199 PolarHBondContact OD1-N 3.27Å; N197-D199 PolarHBondContact OD1-OD2 3.48Å; D199-A214 CarbonylContact C-O 3.13Å; D199-A214 WeakPolarHBondContact CA-O 3.34Å; D199-N215 PolarHBondContact N-ND2 2.91Å; D199-N215 WeakPolarHBondContact OD1-CB 3.3Å; D199-N215 PolarHBondContact OD1-ND2 2.84Å |
| 200 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.7 | 168 | -61.4 | 171.4 | 0 | 0 | 0 | 106.5 | A193 W212 E213 A214 I216 V220 L223 A237 W247 | A193-I200 CarbonylContact O-C 3.56Å; A193-I200 VanDerWaalsContact O-CA 3.3Å; A193-I200 WeakPolarHBondContact O-CA 3.28Å; I200-W212 HydrophobicContact CB-CZ3 4.5Å; I200-W212 HydrophobicContact CG2-CH2 4.41Å; I200-W212 HydrophobicContact CG2-CZ3 3.77Å; I200-E213 VanDerWaalsContact O-CA 3.3Å; I200-E213 WeakPolarHBondContact O-CA 3.44Å; I200-A214 PolarHBondContact N-O 2.84Å; I200-A214 PolarHBondContact O-N 2.94Å; I200-I216 HydrophobicContact CD1-CD1 4.15Å; I200-I216 HydrophobicContact CD1-CG2 4.17Å; I200-V220 HydrophobicContact CD1-CG1 4.46Å; I200-V220 HydrophobicContact CD1-CG2 4.37Å; I200-V220 HydrophobicContact CG1-CG1 4.29Å; I200-V220 HydrophobicContact CG1-CG2 3.8Å; I200-L223 HydrophobicContact CD1-CD2 4.01Å; I200-L223 HydrophobicContact CG1-CD1 4.46Å; I200-L223 HydrophobicContact CG1-CD2 4.36Å; I200-L223 HydrophobicContact CG2-CD1 3.98Å; I200-L223 HydrophobicContact CG2-CD2 4.26Å; I200-A237 HydrophobicContact CD1-CB 4.03Å; I200-W247 HydrophobicContact CD1-CH2 3.45Å; I200-W247 VanDerWaalsContact CD1-CH2 3.45Å; I200-W247 HydrophobicContact CD1-CZ2 4.14Å; I200-W247 HydrophobicContact CD1-CZ3 4.05Å |
| 201 | K | 98.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.9 | 177 | -64.4 | -171.9 | -178.8 | -67.8 | 0 | 109.6 | T192 A193 Y195 F203 E213 | T192-K201 CarbonylContact C-O 3.54Å; T192-K201 VanDerWaalsContact CA-O 3.23Å; T192-K201 WeakPolarHBondContact CA-O 3.05Å; T192-K201 PolarHBondContact OG1-O 3.16Å; A193-K201 PolarHBondContact N-O 3.48Å; A193-K201 PolarHBondContact O-N 3.39Å; Y195-K201 HydrophobicContact CE2-CB 4.46Å; Y195-K201 HydrophobicContact CE2-CD 4.2Å; Y195-K201 HydrophobicContact CE2-CG 4.17Å; K201-F203 HydrophobicContact CB-CE1 4.1Å; K201-F203 HydrophobicContact CB-CE2 3.9Å; K201-F203 HydrophobicContact CB-CZ 3.58Å; K201-F203 HydrophobicContact CD-CE1 4.29Å; K201-F203 HydrophobicContact CD-CZ 3.93Å; K201-F203 HydrophobicContact CG-CZ 4.4Å; K201-E213 HydrophobicContact CG-CG 4.3Å; K201-E213 IonicContact NZ-OE1 2.74Å; K201-E213 PolarHBondContact NZ-OE1 3.34Å; K201-E213 IonicContact NZ-OE2 3.14Å; K201-E213 PolarHBondContact NZ-OE2 2.98Å |
| 202 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.8 | 171.9 | -179.6 | 67.4 | 0 | 0 | 0 | 108.9 | C190 R211 W212 F225 M232 M249 F258 | C190-L202 HydrophobicContact CB-CD1 3.74Å; C190-L202 HydrophobicContact CB-CG 4.48Å; L202-R211 HydrophobicContact CD2-CB 4.36Å; L202-R211 HydrophobicContact CD2-CG 4.19Å; L202-R211 HydrophobicContact CG-CB 4.35Å; L202-R211 PolarHBondContact O-N 2.71Å; L202-W212 HydrophobicContact CB-CB 4.1Å; L202-W212 HydrophobicContact CB-CE3 4.01Å; L202-W212 HydrophobicContact CD2-CB 4.14Å; L202-W212 PolarHBondContact N-O 2.88Å; L202-W212 PolarHBondContact O-N 3.29Å; L202-F225 HydrophobicContact CD1-CE2 4.47Å; L202-F225 HydrophobicContact CD1-CZ 3.84Å; L202-M232 HydrophobicContact CD1-SD 4.09Å; L202-M232 HydrophobicContact CD2-CE 3.98Å; L202-M232 HydrophobicContact CD2-SD 3.94Å; L202-M249 HydrophobicContact CD2-CE 3.92Å; L202-F258 HydrophobicContact CD2-CE2 4.43Å |
| 203 | F | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.7 | 176.6 | -52.9 | -73.9 | 0 | 0 | 0 | 110.1 | M156 C190 L191 A193 K201 L205 V210 | M156-F203 HydrophobicContact CB-CD1 4.37Å; M156-F203 HydrophobicContact CB-CE1 3.93Å; M156-F203 HydrophobicContact CB-CE2 4.21Å; M156-F203 HydrophobicContact CB-CZ 3.84Å; M156-F203 HydrophobicContact CG-CD1 3.81Å; M156-F203 HydrophobicContact CG-CD2 4.2Å; M156-F203 HydrophobicContact CG-CE1 3.9Å; M156-F203 HydrophobicContact CG-CE2 4.28Å; M156-F203 HydrophobicContact CG-CG 3.96Å; M156-F203 HydrophobicContact CG-CZ 4.13Å; M156-F203 HydrophobicContact SD-CB 4.17Å; M156-F203 HydrophobicContact SD-CD1 4.3Å; M156-F203 HydrophobicContact SD-CD2 3.78Å; M156-F203 HydrophobicContact SD-CE2 4.21Å; M156-F203 HydrophobicContact SD-CG 3.82Å; C190-F203 CarbonylContact C-O 3.57Å; C190-F203 WeakPolarHBondContact CA-O 2.97Å; C190-F203 WeakPolarHBondContact CB-O 3.47Å; L191-F203 PolarHBondContact N-O 2.67Å; L191-F203 WeakPolarHBondContact O-CD2 3.28Å; L191-F203 PolarHBondContact O-N 3.16Å; A193-F203 HydrophobicContact CB-CE2 3.87Å; K201-F203 HydrophobicContact CB-CE1 4.1Å; K201-F203 HydrophobicContact CB-CE2 3.9Å; K201-F203 HydrophobicContact CB-CZ 3.58Å; K201-F203 HydrophobicContact CD-CE1 4.29Å; K201-F203 HydrophobicContact CD-CZ 3.93Å; K201-F203 HydrophobicContact CG-CZ 4.4Å; F203-L205 HydrophobicContact CB-CD2 4.26Å; F203-V210 HydrophobicContact CD1-CG2 3.91Å; F203-V210 HydrophobicContact CE1-CG2 3.79Å |
| 204 | D | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109.2 | 165 | -174.2 | -38.9 | 0 | 0 | 0 | 107.7 | R206 A207 M208 K209 R211 | D204-R206 VanDerWaalsContact C-N 3.27Å; D204-R206 PolarHBondContact O-N 3.35Å; D204-R206 WeakPolarHBondContact OD1-CB 3.3Å; D204-R206 PolarHBondContact OD1-N 3.22Å; D204-A207 HydrophobicContact CB-CB 4.14Å; D204-A207 PolarHBondContact OD1-N 2.95Å; D204-M208 VanDerWaalsContact O-CA 3.31Å; D204-M208 WeakPolarHBondContact O-CA 3.5Å; D204-M208 PolarHBondContact O-N 3.41Å; D204-K209 PolarHBondContact N-O 2.8Å; D204-K209 PolarHBondContact O-N 2.88Å; D204-R211 HydrophobicContact CB-CB 4.14Å |
| 205 | L | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.5 | -174.7 | -60.1 | -175.5 | 0 | 0 | 0 | 112.4 | V143 M156 F180 R189 L191 F203 M208 | V143-L205 HydrophobicContact CG2-CD1 4.07Å; V143-L205 HydrophobicContact CG2-CD2 4.47Å; M156-L205 HydrophobicContact SD-CD2 4.12Å; F180-L205 HydrophobicContact CE1-CD1 3.88Å; R189-L205 HydrophobicContact CB-CB 4.39Å; R189-L205 HydrophobicContact CB-CD1 4.44Å; R189-L205 HydrophobicContact CG-CD1 3.94Å; R189-L205 PolarHBondContact O-N 3.42Å; L191-L205 HydrophobicContact CB-CD1 4.22Å; L191-L205 HydrophobicContact CB-CD2 4.34Å; L191-L205 HydrophobicContact CB-CG 4.37Å; F203-L205 HydrophobicContact CB-CD2 4.26Å; L205-M208 VanDerWaalsContact O-SD 3.34Å |
| 206 | R | 95.9 | Very high | 97.4 | Very high | 153 Ų | 153 | 50.8 Ų | 50.8 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -46.4 | 174 | -178 | -177.1 | 175.6 | 178.8 | -0 | 110.6 | D188 D204 M208 | D188-R206 WeakPolarHBondContact OD1-CD 3.27Å; D188-R206 IonicContact OD1-CZ 2.85Å; D188-R206 IonicContact OD1-NH1 3.53Å; D188-R206 PolarHBondContact OD1-NH1 3.19Å; D188-R206 IonicContact OD2-NH1 3.29Å; D204-R206 VanDerWaalsContact C-N 3.27Å; D204-R206 PolarHBondContact O-N 3.35Å; D204-R206 WeakPolarHBondContact OD1-CB 3.3Å; D204-R206 PolarHBondContact OD1-N 3.22Å; R206-M208 VanDerWaalsContact C-N 3.26Å |
| 207 | A | 96.8 | Very high | 97.3 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D204 K209 | D204-A207 HydrophobicContact CB-CB 4.14Å; D204-A207 PolarHBondContact OD1-N 2.95Å; A207-K209 HydrophobicContact CB-CD 4.08Å; A207-K209 HydrophobicContact CB-CG 3.85Å; A207-K209 PolarHBondContact O-N 3.41Å |
| 208 | M | 95.9 | Very high | 97.2 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 44.8 | -177 | -69.5 | -62.9 | -72.3 | 0 | 0 | 112.8 | A154 D204 L205 R206 | A154-M208 HydrophobicContact CB-CE 3.93Å; A154-M208 HydrophobicContact CB-SD 4.35Å; D204-M208 VanDerWaalsContact O-CA 3.31Å; D204-M208 WeakPolarHBondContact O-CA 3.5Å; D204-M208 PolarHBondContact O-N 3.41Å; L205-M208 VanDerWaalsContact O-SD 3.34Å; R206-M208 VanDerWaalsContact C-N 3.26Å |
| 209 | K | 96.2 | Very high | 97.2 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.2 | -179 | 70.5 | -178.8 | -178.6 | 179 | 0 | 111.8 | D204 A207 R211 | D204-K209 PolarHBondContact N-O 2.8Å; D204-K209 PolarHBondContact O-N 2.88Å; A207-K209 HydrophobicContact CB-CD 4.08Å; A207-K209 HydrophobicContact CB-CG 3.85Å; A207-K209 PolarHBondContact O-N 3.41Å; K209-R211 PolarHBondContact O-N 3.13Å |
| 210 | V | 96.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 53 Ų | 53 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.6 | 163.7 | 180 | 0 | 0 | 0 | 0 | 108.8 | F203 E213 | F203-V210 HydrophobicContact CD1-CG2 3.91Å; F203-V210 HydrophobicContact CE1-CG2 3.79Å; V210-E213 HydrophobicContact CG1-CG 3.35Å; V210-E213 WeakPolarHBondContact CG1-OE1 3.19Å |
| 211 | R | 96.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 28% | 0.275 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -36.4 | 177 | 175.1 | 173.4 | 176.2 | 166.2 | -1.7 | 112.5 | H182 L202 D204 K209 M232 Q252 | H182-R211 PolarHBondContact CD2-NH1 3.21Å; H182-R211 VanDerWaalsContact CD2-NH1 3.3Å; H182-R211 PolarHBondContact NE2-NH1 2.96Å; H182-R211 VanDerWaalsContact NE2-NH1 3.12Å; L202-R211 HydrophobicContact CD2-CB 4.36Å; L202-R211 HydrophobicContact CD2-CG 4.19Å; L202-R211 HydrophobicContact CG-CB 4.35Å; L202-R211 PolarHBondContact O-N 2.71Å; D204-R211 HydrophobicContact CB-CB 4.14Å; K209-R211 PolarHBondContact O-N 3.13Å; R211-M232 VanDerWaalsContact NH1-CE 3.26Å; R211-Q252 PolarHBondContact O-NE2 2.83Å |
| 212 | W | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 145.7 | -178.6 | 172.5 | 70.9 | 0 | 0 | 0 | 110.4 | I200 L202 A214 L235 W247 F258 | I200-W212 HydrophobicContact CB-CZ3 4.5Å; I200-W212 HydrophobicContact CG2-CH2 4.41Å; I200-W212 HydrophobicContact CG2-CZ3 3.77Å; L202-W212 HydrophobicContact CB-CB 4.1Å; L202-W212 HydrophobicContact CB-CE3 4.01Å; L202-W212 HydrophobicContact CD2-CB 4.14Å; L202-W212 PolarHBondContact N-O 2.88Å; L202-W212 PolarHBondContact O-N 3.29Å; W212-A214 HydrophobicContact CH2-CB 3.64Å; W212-A214 HydrophobicContact CZ2-CB 3.33Å; W212-A214 HydrophobicContact CZ3-CB 4.49Å; W212-L235 HydrophobicContact CZ3-CD2 4.14Å; W212-W247 AromaticContact CH2-CD1 3.97Å; W212-W247 HydrophobicContact CH2-CD2 4.03Å; W212-W247 AromaticContact CH2-CE2 3.7Å; W212-W247 HydrophobicContact CH2-CG 4.21Å; W212-W247 HydrophobicContact CH2-CZ2 4.13Å; W212-W247 AromaticContact CH2-NE1 3.68Å; W212-W247 AromaticContact CZ2-CD1 3.87Å; W212-W247 AromaticContact CZ2-NE1 3.59Å; W212-F258 HydrophobicContact CB-CE2 3.93Å; W212-F258 AromaticContact CD1-CD2 3.96Å; W212-F258 AromaticContact CD2-CD2 3.76Å; W212-F258 HydrophobicContact CD2-CD2 3.76Å; W212-F258 AromaticContact CD2-CE2 3.94Å; W212-F258 HydrophobicContact CD2-CE2 3.94Å; W212-F258 AromaticContact CE2-CD2 3.8Å; W212-F258 HydrophobicContact CE3-CD2 4.33Å; W212-F258 HydrophobicContact CE3-CE2 4.43Å; W212-F258 AromaticContact CG-CD2 3.85Å; W212-F258 HydrophobicContact CG-CD2 3.85Å; W212-F258 AromaticContact CG-CE2 3.7Å; W212-F258 HydrophobicContact CG-CE2 3.7Å; W212-F258 HydrophobicContact CZ2-CD2 4.35Å; W212-F258 AromaticContact NE1-CD2 3.95Å |
| 213 | E | 96.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.2 | 172.4 | -53 | -164.4 | 166.4 | 0 | 0 | 110.1 | I200 K201 V210 | I200-E213 VanDerWaalsContact O-CA 3.3Å; I200-E213 WeakPolarHBondContact O-CA 3.44Å; K201-E213 HydrophobicContact CG-CG 4.3Å; K201-E213 IonicContact NZ-OE1 2.74Å; K201-E213 PolarHBondContact NZ-OE1 3.34Å; K201-E213 IonicContact NZ-OE2 3.14Å; K201-E213 PolarHBondContact NZ-OE2 2.98Å; V210-E213 HydrophobicContact CG1-CG 3.35Å; V210-E213 WeakPolarHBondContact CG1-OE1 3.19Å |
| 214 | A | 97.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D199 I200 W212 | D199-A214 CarbonylContact C-O 3.13Å; D199-A214 WeakPolarHBondContact CA-O 3.34Å; I200-A214 PolarHBondContact N-O 2.84Å; I200-A214 PolarHBondContact O-N 2.94Å; W212-A214 HydrophobicContact CH2-CB 3.64Å; W212-A214 HydrophobicContact CZ2-CB 3.33Å; W212-A214 HydrophobicContact CZ3-CB 4.49Å |
| 215 | N | 97.7 | Very high | 97.3 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117.3 | 169 | -179.9 | -81.2 | 0 | 0 | 0 | 109.1 | N197 G198 D199 K217 | N197-N215 PolarHBondContact O-ND2 3.19Å; N197-N215 VanDerWaalsContact O-ND2 3.1Å; G198-N215 CarbonylContact O-C 3.5Å; G198-N215 VanDerWaalsContact O-CA 3.31Å; G198-N215 WeakPolarHBondContact O-CA 3.25Å; D199-N215 PolarHBondContact N-ND2 2.91Å; D199-N215 WeakPolarHBondContact OD1-CB 3.3Å; D199-N215 PolarHBondContact OD1-ND2 2.84Å; N215-K217 VanDerWaalsContact C-N 3.33Å; N215-K217 WeakPolarHBondContact OD1-CA 3.43Å; N215-K217 WeakPolarHBondContact OD1-CD 3.47Å; N215-K217 WeakPolarHBondContact OD1-CE 3.22Å; N215-K217 PolarHBondContact OD1-N 3.35Å; N215-K217 PolarHBondContact OD1-NZ 2.85Å |
| 216 | I | 96.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | trans | -94.6 | 11.3 | -178.4 | 64 | 173.3 | 0 | 0 | 0 | 113.3 | G198 I200 N218 V220 A237 T239 W247 | G198-I216 WeakPolarHBondContact O-CG1 3.4Å; G198-I216 PolarHBondContact O-N 2.88Å; I200-I216 HydrophobicContact CD1-CD1 4.15Å; I200-I216 HydrophobicContact CD1-CG2 4.17Å; I216-N218 PolarHBondContact O-N 3.13Å; I216-N218 VanDerWaalsContact O-N 3.1Å; I216-V220 HydrophobicContact CD1-CG2 4.04Å; I216-V220 HydrophobicContact CG1-CG2 4.24Å; I216-A237 HydrophobicContact CD1-CB 4.48Å; I216-T239 HydrophobicContact CD1-CG2 3.41Å; I216-T239 VanDerWaalsContact CD1-CG2 3.41Å; I216-T239 HydrophobicContact CG1-CG2 4.5Å; I216-W247 HydrophobicContact CG2-CH2 3.84Å; I216-W247 HydrophobicContact CG2-CZ2 3.76Å | ||
| 217 | K | 95.6 | Very high | 97.4 | Very high | 172 Ų | 172 | 49.1 Ų | 49.1 | 75% | 0.748 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 58.2 | 20.8 | 175 | -53.4 | -71 | 163 | -149.9 | 0 | 114.6 | N215 | N215-K217 VanDerWaalsContact C-N 3.33Å; N215-K217 WeakPolarHBondContact OD1-CA 3.43Å; N215-K217 WeakPolarHBondContact OD1-CD 3.47Å; N215-K217 WeakPolarHBondContact OD1-CE 3.22Å; N215-K217 PolarHBondContact OD1-N 3.35Å; N215-K217 PolarHBondContact OD1-NZ 2.85Å |
| 218 | N | 94.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -157.6 | 139.1 | -175.1 | -166 | -13 | 0 | 0 | 0 | 110.1 | G198 I216 V220 L240 E241 | G198-N218 WeakPolarHBondContact CA-O 3.36Å; I216-N218 PolarHBondContact O-N 3.13Å; I216-N218 VanDerWaalsContact O-N 3.1Å; N218-V220 PolarHBondContact O-N 2.95Å; N218-L240 WeakPolarHBondContact OD1-CB 3.47Å; N218-E241 WeakPolarHBondContact ND2-CB 3.21Å; N218-E241 WeakPolarHBondContact ND2-CG 3.27Å; N218-E241 PolarHBondContact ND2-N 3.4Å; N218-E241 PolarHBondContact ND2-OE2 2.61Å; N218-E241 PolarHBondContact OD1-N 2.74Å |
| 219 | G | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -55.1 | 130.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | D196 C221 T239 L240 | D196-G219 WeakPolarHBondContact O-CA 3.35Å; D196-G219 PolarHBondContact O-N 3Å; G219-C221 PolarHBondContact O-N 2.77Å; G219-T239 CarbonylContact O-C 3.59Å; G219-T239 VanDerWaalsContact O-CA 3.25Å; G219-T239 WeakPolarHBondContact O-CA 3.11Å; G219-L240 PolarHBondContact O-N 2.94Å | ||
| 220 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 101.1 | -174.2 | -166.7 | 0 | 0 | 0 | 0 | 109.6 | W176 T177 Y195 I200 I216 N218 L223 A237 | W176-V220 VanDerWaalsContact CB-O 3.3Å; W176-V220 WeakPolarHBondContact CB-O 3.25Å; T177-V220 HydrophobicContact CG2-CB 4.38Å; T177-V220 HydrophobicContact CG2-CG1 3.88Å; Y195-V220 PolarHBondContact O-N 2.9Å; I200-V220 HydrophobicContact CD1-CG1 4.46Å; I200-V220 HydrophobicContact CD1-CG2 4.37Å; I200-V220 HydrophobicContact CG1-CG1 4.29Å; I200-V220 HydrophobicContact CG1-CG2 3.8Å; I216-V220 HydrophobicContact CD1-CG2 4.04Å; I216-V220 HydrophobicContact CG1-CG2 4.24Å; N218-V220 PolarHBondContact O-N 2.95Å; V220-L223 HydrophobicContact CG1-CD1 4.21Å; V220-L223 HydrophobicContact CG1-CD2 4.06Å; V220-L223 HydrophobicContact CG1-CG 3.8Å; V220-A237 HydrophobicContact CG1-CB 4.18Å |
| 221 | C | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -39.2 | -176.1 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | G219 T238 T239 L240 V270 W271 | G219-C221 PolarHBondContact O-N 2.77Å; C221-T238 PolarHBondContact N-O 2.8Å; C221-T239 VanDerWaalsContact SG-C 3.53Å; C221-L240 PolarHBondContact SG-N 3.19Å; C221-L240 VanDerWaalsContact SG-N 3.41Å; C221-V270 VanDerWaalsContact CB-O 3.27Å; C221-V270 WeakPolarHBondContact CB-O 3.45Å; C221-W271 HydrophobicContact CB-CE3 4.47Å |
| 222 | C | 98.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.095 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 141.9 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 111 | T177 A237 T238 W271 Q272 V273 | T177-C222 WeakPolarHBondContact OG1-CA 3.4Å; C222-A237 CarbonylContact O-C 3.52Å; C222-A237 VanDerWaalsContact O-CA 3.27Å; C222-A237 WeakPolarHBondContact O-CA 3.38Å; C222-T238 WeakPolarHBondContact CB-OG1 3.48Å; C222-T238 PolarHBondContact N-OG1 2.81Å; C222-T238 PolarHBondContact O-N 3.08Å; C222-W271 WeakPolarHBondContact CB-O 3.22Å; C222-Q272 HydrophobicContact CB-CG 4.32Å; C222-V273 HydrophobicContact CB-CG1 4.28Å |
| 223 | L | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.8 | 169.4 | -73.7 | 167.3 | 0 | 0 | 0 | 108.8 | T177 A179 T192 A193 I200 V220 L235 V236 A237 | T177-L223 HydrophobicContact CG2-CB 3.98Å; T177-L223 HydrophobicContact CG2-CD1 3.79Å; T177-L223 HydrophobicContact CG2-CG 3.68Å; T177-L223 PolarHBondContact OG1-N 2.77Å; A179-L223 HydrophobicContact CB-CB 4.38Å; A179-L223 VanDerWaalsContact CB-O 3.27Å; A179-L223 WeakPolarHBondContact CB-O 3.47Å; T192-L223 HydrophobicContact CG2-CB 3.75Å; T192-L223 HydrophobicContact CG2-CD1 3.72Å; T192-L223 HydrophobicContact CG2-CG 4.25Å; A193-L223 VanDerWaalsContact C-CD1 3.5Å; I200-L223 HydrophobicContact CD1-CD2 4.01Å; I200-L223 HydrophobicContact CG1-CD1 4.46Å; I200-L223 HydrophobicContact CG1-CD2 4.36Å; I200-L223 HydrophobicContact CG2-CD1 3.98Å; I200-L223 HydrophobicContact CG2-CD2 4.26Å; V220-L223 HydrophobicContact CG1-CD1 4.21Å; V220-L223 HydrophobicContact CG1-CD2 4.06Å; V220-L223 HydrophobicContact CG1-CG 3.8Å; L223-L235 HydrophobicContact CB-CD1 4.34Å; L223-L235 HydrophobicContact CD2-CD1 4.11Å; L223-L235 HydrophobicContact CD2-CD2 4.31Å; L223-L235 HydrophobicContact CD2-CG 4.27Å; L223-V236 WeakPolarHBondContact CA-O 3.36Å; L223-A237 HydrophobicContact CD2-CB 3.46Å; L223-A237 VanDerWaalsContact CD2-CB 3.46Å |
| 224 | Q | 98.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 31.3 Ų | 31.3 | 24% | 0.243 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 130.1 | 171.6 | -155.8 | -168.3 | 32 | 0 | 0 | 111.4 | V236 V273 S274 H275 | Q224-V236 PolarHBondContact N-O 2.98Å; Q224-V236 PolarHBondContact O-N 2.98Å; Q224-V273 HydrophobicContact CB-CG1 3.77Å; Q224-V273 PolarHBondContact OE1-O 3.1Å; Q224-S274 VanDerWaalsContact OE1-CA 3.23Å; Q224-H275 PolarHBondContact OE1-ND1 3.07Å |
| 225 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 147.9 | 163.1 | -71.1 | -82.7 | 0 | 0 | 0 | 109.9 | F180 T192 L202 R227 M232 K234 L235 M249 | F180-F225 VanDerWaalsContact O-CD2 3.31Å; F180-F225 WeakPolarHBondContact O-CD2 3.3Å; T192-F225 HydrophobicContact CG2-CD2 4.48Å; T192-F225 HydrophobicContact CG2-CE2 3.8Å; T192-F225 HydrophobicContact CG2-CZ 4.48Å; L202-F225 HydrophobicContact CD1-CE2 4.47Å; L202-F225 HydrophobicContact CD1-CZ 3.84Å; F225-R227 PolarHBondContact O-N 2.86Å; F225-M232 HydrophobicContact CD1-CB 4.37Å; F225-M232 HydrophobicContact CD1-CG 4.14Å; F225-M232 HydrophobicContact CE1-CB 4.02Å; F225-M232 HydrophobicContact CE1-CG 3.62Å; F225-M232 HydrophobicContact CE1-SD 3.5Å; F225-M232 VanDerWaalsContact CE1-SD 3.5Å; F225-M232 HydrophobicContact CZ-CG 4.2Å; F225-M232 HydrophobicContact CZ-SD 3.63Å; F225-K234 VanDerWaalsContact CA-O 3.31Å; F225-K234 WeakPolarHBondContact CA-O 3.39Å; F225-L235 HydrophobicContact CD1-CB 4.27Å; F225-L235 HydrophobicContact CD1-CD1 4.3Å; F225-L235 HydrophobicContact CD2-CD1 4.21Å; F225-L235 HydrophobicContact CE1-CB 4.1Å; F225-L235 HydrophobicContact CE1-CD1 4.25Å; F225-L235 HydrophobicContact CE2-CD1 4.18Å; F225-L235 HydrophobicContact CG-CD1 4.29Å; F225-L235 HydrophobicContact CZ-CD1 4.19Å; F225-L235 HydrophobicContact CZ-CD2 4.49Å; F225-M249 HydrophobicContact CE1-CE 4.27Å; F225-M249 HydrophobicContact CE1-CG 4.33Å |
| 226 | D | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -61.1 | -33.8 | 176.1 | 65.1 | -45 | 0 | 0 | 0 | 112.9 | N233 K234 R280 | D226-N233 WeakPolarHBondContact OD1-CB 3.43Å; D226-N233 PolarHBondContact OD2-ND2 3.39Å; D226-K234 HydrophobicContact CB-CB 4.1Å; D226-K234 VanDerWaalsContact CB-NZ 3.27Å; D226-K234 PolarHBondContact N-O 3.06Å; D226-K234 VanDerWaalsContact N-O 3.1Å; D226-K234 PolarHBondContact OD1-N 3.49Å; D226-R280 HydrophobicContact CB-CB 4.33Å; D226-R280 WeakPolarHBondContact OD2-CD 3.49Å |
| 227 | R | 97.6 | Very high | 97.9 | Very high | 84 Ų | 84 | 26.5 Ų | 26.5 | 32% | 0.317 | 13% | 0.13 | S | C | . | . | trans | -150.9 | 147 | 170.8 | -73.9 | -166.4 | -177.8 | 171.4 | 0.8 | 110.9 | F225 D229 I230 P277 R280 | F225-R227 PolarHBondContact O-N 2.86Å; R227-D229 WeakPolarHBondContact CB-OD1 3.45Å; R227-I230 HydrophobicContact CB-CD1 3.82Å; R227-I230 HydrophobicContact CB-CG1 3.74Å; R227-P277 PolarHBondContact NH2-O 3.12Å; R227-R280 HydrophobicContact CG-CB 4.16Å | ||
| 228 | K | 96.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 18.3 Ų | 18.3 | 16% | 0.157 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -86.1 | -35.5 | -179.5 | -59.4 | -177.7 | 173.5 | 170.6 | 0 | 112.8 | D118 G119 V125 F180 A183 I230 | D118-K228 VanDerWaalsContact CG-NZ 3.26Å; D118-K228 IonicContact OD1-NZ 2.74Å; D118-K228 PolarHBondContact OD1-NZ 2.8Å; D118-K228 VanDerWaalsContact OD2-CE 3.22Å; D118-K228 WeakPolarHBondContact OD2-CE 3.49Å; D118-K228 IonicContact OD2-NZ 2.76Å; D118-K228 PolarHBondContact OD2-NZ 3.49Å; D118-K228 VanDerWaalsContact OD2-NZ 3.13Å; G119-K228 PolarHBondContact O-NZ 3.48Å; V125-K228 HydrophobicContact CG1-CB 4.11Å; F180-K228 HydrophobicContact CB-CD 4.37Å; A183-K228 WeakPolarHBondContact CA-O 3.23Å; A183-K228 WeakPolarHBondContact CB-O 3.23Å; A183-K228 PolarHBondContact N-O 2.79Å; K228-I230 VanDerWaalsContact C-N 3.3Å; K228-I230 PolarHBondContact O-N 3.29Å |
| 229 | D | 96.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 17.9 Ų | 17.9 | 35% | 0.348 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -87.1 | 10.6 | -169.5 | 63.5 | -30.8 | 0 | 0 | 0 | 114.1 | V125 Y184 R227 | V125-D229 HydrophobicContact CG1-CB 4.26Å; Y184-D229 WeakPolarHBondContact CA-O 3.25Å; Y184-D229 WeakPolarHBondContact CB-O 3.03Å; R227-D229 WeakPolarHBondContact CB-OD1 3.45Å |
| 230 | I | 97.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 21 Ų | 21 | 18% | 0.179 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -124.3 | 160.9 | 177 | 65.7 | 172.4 | 0 | 0 | 0 | 110.7 | H182 Y184 R227 K228 M232 N233 | H182-I230 WeakPolarHBondContact CA-O 3.46Å; Y184-I230 VanDerWaalsContact CB-C 3.44Å; R227-I230 HydrophobicContact CB-CD1 3.82Å; R227-I230 HydrophobicContact CB-CG1 3.74Å; K228-I230 VanDerWaalsContact C-N 3.3Å; K228-I230 PolarHBondContact O-N 3.29Å; I230-M232 PolarHBondContact O-N 3.39Å; I230-N233 HydrophobicContact CD1-CB 3.84Å |
| 231 | S | 97.8 | Very high | 98 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 35% | 0.35 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -56.5 | 133.9 | 166 | -177 | 0 | 0 | 0 | 0 | 109.2 | H182 N233 | H182-S231 PolarHBondContact CE1-OG 3.02Å; H182-S231 VanDerWaalsContact CE1-OG 3.31Å; H182-S231 WeakPolarHBondContact ND1-CA 3.32Å; S231-N233 PolarHBondContact O-N 3.38Å |
| 232 | M | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -49.3 | 131.8 | -167.6 | -65.9 | -178.8 | -67.5 | 0 | 0 | 110.4 | H182 C190 L202 R211 F225 I230 M249 R250 | H182-M232 HydrophobicContact CB-CE 4.38Å; H182-M232 HydrophobicContact CB-CG 3.47Å; H182-M232 VanDerWaalsContact CB-CG 3.47Å; H182-M232 HydrophobicContact CB-SD 3.99Å; H182-M232 PolarHBondContact ND1-N 3.12Å; C190-M232 HydrophobicContact CB-SD 4.12Å; L202-M232 HydrophobicContact CD1-SD 4.09Å; L202-M232 HydrophobicContact CD2-CE 3.98Å; L202-M232 HydrophobicContact CD2-SD 3.94Å; R211-M232 VanDerWaalsContact NH1-CE 3.26Å; F225-M232 HydrophobicContact CD1-CB 4.37Å; F225-M232 HydrophobicContact CD1-CG 4.14Å; F225-M232 HydrophobicContact CE1-CB 4.02Å; F225-M232 HydrophobicContact CE1-CG 3.62Å; F225-M232 HydrophobicContact CE1-SD 3.5Å; F225-M232 VanDerWaalsContact CE1-SD 3.5Å; F225-M232 HydrophobicContact CZ-CG 4.2Å; F225-M232 HydrophobicContact CZ-SD 3.63Å; I230-M232 PolarHBondContact O-N 3.39Å; M232-M249 HydrophobicContact CB-CB 3.68Å; M232-M249 HydrophobicContact SD-CE 4.27Å; M232-R250 WeakPolarHBondContact O-CD 3.38Å; M232-R250 PolarHBondContact O-NE 3.44Å | ||
| 233 | N | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -121.7 | -59 | -173.3 | -179.7 | 51.7 | 0 | 0 | 0 | 111.3 | D226 I230 S231 M249 R250 Y299 R303 | D226-N233 WeakPolarHBondContact OD1-CB 3.43Å; D226-N233 PolarHBondContact OD2-ND2 3.39Å; I230-N233 HydrophobicContact CD1-CB 3.84Å; S231-N233 PolarHBondContact O-N 3.38Å; N233-M249 PolarHBondContact O-N 2.85Å; N233-R250 VanDerWaalsContact OD1-CZ 3.3Å; N233-R250 PolarHBondContact OD1-NE 2.83Å; N233-R250 PolarHBondContact OD1-NH2 3.47Å; N233-Y299 PolarHBondContact ND2-OH 3.25Å; N233-R303 PolarHBondContact O-NH2 3.07Å; N233-R303 VanDerWaalsContact OD1-CZ 3.28Å; N233-R303 PolarHBondContact OD1-NH1 3.35Å; N233-R303 PolarHBondContact OD1-NH2 2.77Å | ||
| 234 | K | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.1 | 174.5 | -60.2 | 175.2 | -64.5 | 101.9 | 0 | 109.8 | F225 D226 W247 H275 R280 D281 Y297 | F225-K234 VanDerWaalsContact CA-O 3.31Å; F225-K234 WeakPolarHBondContact CA-O 3.39Å; D226-K234 HydrophobicContact CB-CB 4.1Å; D226-K234 VanDerWaalsContact CB-NZ 3.27Å; D226-K234 PolarHBondContact N-O 3.06Å; D226-K234 VanDerWaalsContact N-O 3.1Å; D226-K234 PolarHBondContact OD1-N 3.49Å; K234-W247 WeakPolarHBondContact CA-O 3.14Å; K234-H275 PolarHBondContact NZ-NE2 3.13Å; K234-R280 PolarHBondContact NZ-O 3.07Å; K234-D281 VanDerWaalsContact CE-OD1 3.27Å; K234-D281 WeakPolarHBondContact CE-OD1 2.96Å; K234-Y297 HydrophobicContact CD-CD1 3.46Å; K234-Y297 VanDerWaalsContact CD-CD1 3.46Å; K234-Y297 HydrophobicContact CD-CD2 4.41Å; K234-Y297 HydrophobicContact CD-CE1 3.77Å; K234-Y297 HydrophobicContact CD-CG 3.79Å; K234-Y297 HydrophobicContact CG-CE1 4.46Å |
| 235 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129 | 166.8 | 177.5 | 61.5 | 0 | 0 | 0 | 107.7 | T192 W212 L223 F225 V246 W247 M249 | T192-L235 HydrophobicContact CG2-CD1 4.03Å; W212-L235 HydrophobicContact CZ3-CD2 4.14Å; L223-L235 HydrophobicContact CB-CD1 4.34Å; L223-L235 HydrophobicContact CD2-CD1 4.11Å; L223-L235 HydrophobicContact CD2-CD2 4.31Å; L223-L235 HydrophobicContact CD2-CG 4.27Å; F225-L235 HydrophobicContact CD1-CB 4.27Å; F225-L235 HydrophobicContact CD1-CD1 4.3Å; F225-L235 HydrophobicContact CD2-CD1 4.21Å; F225-L235 HydrophobicContact CE1-CB 4.1Å; F225-L235 HydrophobicContact CE1-CD1 4.25Å; F225-L235 HydrophobicContact CE2-CD1 4.18Å; F225-L235 HydrophobicContact CG-CD1 4.29Å; F225-L235 HydrophobicContact CZ-CD1 4.19Å; F225-L235 HydrophobicContact CZ-CD2 4.49Å; L235-V246 WeakPolarHBondContact O-CA 3.42Å; L235-W247 HydrophobicContact CG-CE3 4.36Å; L235-W247 PolarHBondContact N-O 3.44Å; L235-W247 VanDerWaalsContact N-O 3.16Å; L235-W247 PolarHBondContact O-N 3.39Å; L235-M249 HydrophobicContact CB-CE 4.46Å; L235-M249 HydrophobicContact CB-CG 3.74Å; L235-M249 HydrophobicContact CB-SD 3.79Å; L235-M249 HydrophobicContact CD2-CE 4.35Å; L235-M249 HydrophobicContact CD2-SD 4.4Å |
| 236 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.4 | 174 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | L223 Q224 I244 H245 V246 V273 F283 | L223-V236 WeakPolarHBondContact CA-O 3.36Å; Q224-V236 PolarHBondContact N-O 2.98Å; Q224-V236 PolarHBondContact O-N 2.98Å; V236-I244 HydrophobicContact CG1-CG2 3.66Å; V236-H245 CarbonylContact C-O 3.58Å; V236-H245 WeakPolarHBondContact CA-O 3.38Å; V236-V246 HydrophobicContact CG1-CG2 4.29Å; V236-V246 HydrophobicContact CG2-CG1 4.24Å; V236-V246 HydrophobicContact CG2-CG2 4.08Å; V236-V273 HydrophobicContact CB-CG1 4.29Å; V236-V273 HydrophobicContact CB-CG2 4.02Å; V236-V273 HydrophobicContact CG1-CB 4.18Å; V236-V273 HydrophobicContact CG1-CG1 4.21Å; V236-V273 HydrophobicContact CG1-CG2 3.82Å; V236-F283 HydrophobicContact CG1-CE2 4.26Å; V236-F283 HydrophobicContact CG1-CZ 4.43Å; V236-F283 HydrophobicContact CG2-CE1 4.38Å; V236-F283 HydrophobicContact CG2-CZ 4.5Å |
| 237 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I200 I216 V220 C222 L223 I244 H245 W247 | I200-A237 HydrophobicContact CD1-CB 4.03Å; I216-A237 HydrophobicContact CD1-CB 4.48Å; V220-A237 HydrophobicContact CG1-CB 4.18Å; C222-A237 CarbonylContact O-C 3.52Å; C222-A237 VanDerWaalsContact O-CA 3.27Å; C222-A237 WeakPolarHBondContact O-CA 3.38Å; L223-A237 HydrophobicContact CD2-CB 3.46Å; L223-A237 VanDerWaalsContact CD2-CB 3.46Å; A237-I244 WeakPolarHBondContact O-CA 3.25Å; A237-H245 HydrophobicContact CB-CB 4.26Å; A237-H245 PolarHBondContact N-O 3.02Å; A237-H245 PolarHBondContact O-N 3.36Å; A237-W247 HydrophobicContact CB-CH2 3.97Å; A237-W247 HydrophobicContact CB-CZ3 3.58Å |
| 238 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 154.3 | 170.7 | 69 | 0 | 0 | 0 | 0 | 110.2 | C221 C222 V270 V273 T285 | C221-T238 PolarHBondContact N-O 2.8Å; C222-T238 WeakPolarHBondContact CB-OG1 3.48Å; C222-T238 PolarHBondContact N-OG1 2.81Å; C222-T238 PolarHBondContact O-N 3.08Å; T238-V270 WeakPolarHBondContact CB-O 3.41Å; T238-V270 HydrophobicContact CG2-CB 4.32Å; T238-V270 HydrophobicContact CG2-CG1 3.5Å; T238-V270 VanDerWaalsContact CG2-CG1 3.5Å; T238-V270 PolarHBondContact OG1-O 2.89Å; T238-V273 HydrophobicContact CG2-CB 3.72Å; T238-V273 HydrophobicContact CG2-CG1 3.98Å; T238-T285 HydrophobicContact CG2-CG2 4.23Å |
| 239 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.9 | -165.9 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | I216 G219 C221 E241 G242 K243 V270 | I216-T239 HydrophobicContact CD1-CG2 3.41Å; I216-T239 VanDerWaalsContact CD1-CG2 3.41Å; I216-T239 HydrophobicContact CG1-CG2 4.5Å; G219-T239 CarbonylContact O-C 3.59Å; G219-T239 VanDerWaalsContact O-CA 3.25Å; G219-T239 WeakPolarHBondContact O-CA 3.11Å; C221-T239 VanDerWaalsContact SG-C 3.53Å; T239-E241 VanDerWaalsContact C-N 3.31Å; T239-E241 PolarHBondContact O-N 2.87Å; T239-G242 PolarHBondContact O-N 2.88Å; T239-G242 PolarHBondContact OG1-N 2.93Å; T239-K243 PolarHBondContact N-O 2.97Å; T239-K243 WeakPolarHBondContact OG1-CA 3.29Å; T239-K243 WeakPolarHBondContact OG1-CB 3.43Å; T239-K243 PolarHBondContact OG1-N 2.99Å; T239-K243 PolarHBondContact OG1-O 3.43Å; T239-V270 PolarHBondContact O-N 2.88Å |
| 240 | L | 96.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 23.4 Ų | 23.4 | 36% | 0.361 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.9 | 178.9 | -171.4 | 67.4 | 0 | 0 | 0 | 112.6 | W176 N218 G219 C221 G242 T269 W271 | W176-L240 HydrophobicContact CH2-CD1 4.46Å; W176-L240 HydrophobicContact CH2-CD2 4.17Å; W176-L240 HydrophobicContact CZ3-CB 4.33Å; W176-L240 HydrophobicContact CZ3-CD1 4.41Å; W176-L240 HydrophobicContact CZ3-CD2 4.49Å; N218-L240 WeakPolarHBondContact OD1-CB 3.47Å; G219-L240 PolarHBondContact O-N 2.94Å; C221-L240 PolarHBondContact SG-N 3.19Å; C221-L240 VanDerWaalsContact SG-N 3.41Å; L240-G242 VanDerWaalsContact C-N 3.35Å; L240-T269 HydrophobicContact CD1-CG2 4.06Å; L240-T269 WeakPolarHBondContact O-CA 3.39Å; L240-T269 VanDerWaalsContact O-CB 3.28Å; L240-T269 WeakPolarHBondContact O-CB 3.3Å; L240-T269 PolarHBondContact O-OG1 3.2Å; L240-W271 HydrophobicContact CD1-CH2 4.33Å |
| 241 | E | 94.4 | Very high | 97.9 | Very high | 112 Ų | 112 | 22.6 Ų | 22.6 | 52% | 0.523 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 24.8 | 175.3 | -45.3 | 169.7 | 155.4 | 0 | 0 | 113 | N218 T239 K243 N265 | N218-E241 WeakPolarHBondContact ND2-CB 3.21Å; N218-E241 WeakPolarHBondContact ND2-CG 3.27Å; N218-E241 PolarHBondContact ND2-N 3.4Å; N218-E241 PolarHBondContact ND2-OE2 2.61Å; N218-E241 PolarHBondContact OD1-N 2.74Å; T239-E241 VanDerWaalsContact C-N 3.31Å; T239-E241 PolarHBondContact O-N 2.87Å; E241-K243 PolarHBondContact O-N 2.76Å; E241-N265 PolarHBondContact O-ND2 3.02Å; E241-N265 PolarHBondContact O-OD1 3.25Å |
| 242 | G | 95.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 80.9 | 8.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | T239 L240 N265 Q266 A268 | T239-G242 PolarHBondContact O-N 2.88Å; T239-G242 PolarHBondContact OG1-N 2.93Å; L240-G242 VanDerWaalsContact C-N 3.35Å; G242-N265 WeakPolarHBondContact O-CA 3.31Å; G242-Q266 PolarHBondContact O-N 2.93Å; G242-A268 WeakPolarHBondContact CA-O 3.4Å |
| 243 | K | 97.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 23.8 Ų | 23.8 | 35% | 0.348 | 11% | 0.108 | S | C | . | . | trans | -80.3 | 148.8 | 170.7 | -64.4 | 174.3 | -177.3 | 166.3 | 0 | 110.9 | T239 E241 V262 | T239-K243 PolarHBondContact N-O 2.97Å; T239-K243 WeakPolarHBondContact OG1-CA 3.29Å; T239-K243 WeakPolarHBondContact OG1-CB 3.43Å; T239-K243 PolarHBondContact OG1-N 2.99Å; T239-K243 PolarHBondContact OG1-O 3.43Å; E241-K243 PolarHBondContact O-N 2.76Å; K243-V262 HydrophobicContact CB-CG1 4.12Å; K243-V262 HydrophobicContact CD-CG1 4.08Å; K243-V262 HydrophobicContact CG-CG1 4.34Å | ||
| 244 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.8 | 169.9 | -55.2 | 163.2 | 0 | 0 | 0 | 107.4 | V236 A237 V246 V262 E263 F283 T285 W295 L328 | V236-I244 HydrophobicContact CG1-CG2 3.66Å; A237-I244 WeakPolarHBondContact O-CA 3.25Å; I244-V246 HydrophobicContact CG2-CG2 4.26Å; I244-V262 WeakPolarHBondContact O-CA 3.39Å; I244-E263 HydrophobicContact CB-CB 4.12Å; I244-E263 PolarHBondContact O-N 2.99Å; I244-F283 HydrophobicContact CG2-CE2 4.42Å; I244-T285 HydrophobicContact CD1-CG2 3.82Å; I244-T285 HydrophobicContact CG1-CG2 4.31Å; I244-W295 HydrophobicContact CD1-CD2 4.37Å; I244-W295 HydrophobicContact CD1-CH2 4.39Å; I244-W295 HydrophobicContact CD1-CZ2 3.68Å; I244-L328 HydrophobicContact CG2-CD1 4.45Å |
| 245 | H | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.6 | 174.6 | -64.8 | -111.3 | 0 | 0 | 0 | 109.1 | V236 A237 W247 L261 V262 | V236-H245 CarbonylContact C-O 3.58Å; V236-H245 WeakPolarHBondContact CA-O 3.38Å; A237-H245 HydrophobicContact CB-CB 4.26Å; A237-H245 PolarHBondContact N-O 3.02Å; A237-H245 PolarHBondContact O-N 3.36Å; H245-W247 HydrophobicContact CB-CE3 4.25Å; H245-W247 HydrophobicContact CB-CH2 3.25Å; H245-W247 HydrophobicContact CB-CZ2 3.99Å; H245-W247 HydrophobicContact CB-CZ3 3.39Å; H245-W247 AromaticContact CG-CH2 3.95Å; H245-L261 WeakPolarHBondContact CA-O 3.44Å; H245-V262 WeakPolarHBondContact ND1-CG2 3.15Å |
| 246 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.7 | 176 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | L235 V236 I244 S260 L261 Y297 I325 L328 | L235-V246 WeakPolarHBondContact O-CA 3.42Å; V236-V246 HydrophobicContact CG1-CG2 4.29Å; V236-V246 HydrophobicContact CG2-CG1 4.24Å; V236-V246 HydrophobicContact CG2-CG2 4.08Å; I244-V246 HydrophobicContact CG2-CG2 4.26Å; V246-S260 CarbonylContact O-C 3.53Å; V246-S260 WeakPolarHBondContact O-CA 3.3Å; V246-S260 WeakPolarHBondContact O-CB 3.46Å; V246-L261 HydrophobicContact CB-CD1 3.91Å; V246-L261 HydrophobicContact CB-CG 3.97Å; V246-L261 HydrophobicContact CG2-CD1 3.87Å; V246-L261 HydrophobicContact CG2-CG 4.46Å; V246-L261 PolarHBondContact N-O 3.46Å; V246-L261 PolarHBondContact O-N 2.97Å; V246-Y297 HydrophobicContact CG1-CD2 4.15Å; V246-Y297 HydrophobicContact CG1-CE2 4.12Å; V246-I325 HydrophobicContact CG1-CD1 4.43Å; V246-L328 HydrophobicContact CG2-CD1 3.82Å; V246-L328 HydrophobicContact CG2-CD2 4.35Å; V246-L328 HydrophobicContact CG2-CG 4.33Å |
| 247 | W | 98.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 138.2 | 173.5 | -66.1 | -97.5 | 0 | 0 | 0 | 111 | I200 W212 I216 K234 L235 A237 H245 M249 F258 A259 | I200-W247 HydrophobicContact CD1-CH2 3.45Å; I200-W247 VanDerWaalsContact CD1-CH2 3.45Å; I200-W247 HydrophobicContact CD1-CZ2 4.14Å; I200-W247 HydrophobicContact CD1-CZ3 4.05Å; W212-W247 AromaticContact CH2-CD1 3.97Å; W212-W247 HydrophobicContact CH2-CD2 4.03Å; W212-W247 AromaticContact CH2-CE2 3.7Å; W212-W247 HydrophobicContact CH2-CG 4.21Å; W212-W247 HydrophobicContact CH2-CZ2 4.13Å; W212-W247 AromaticContact CH2-NE1 3.68Å; W212-W247 AromaticContact CZ2-CD1 3.87Å; W212-W247 AromaticContact CZ2-NE1 3.59Å; I216-W247 HydrophobicContact CG2-CH2 3.84Å; I216-W247 HydrophobicContact CG2-CZ2 3.76Å; K234-W247 WeakPolarHBondContact CA-O 3.14Å; L235-W247 HydrophobicContact CG-CE3 4.36Å; L235-W247 PolarHBondContact N-O 3.44Å; L235-W247 VanDerWaalsContact N-O 3.16Å; L235-W247 PolarHBondContact O-N 3.39Å; A237-W247 HydrophobicContact CB-CH2 3.97Å; A237-W247 HydrophobicContact CB-CZ3 3.58Å; H245-W247 HydrophobicContact CB-CE3 4.25Å; H245-W247 HydrophobicContact CB-CH2 3.25Å; H245-W247 HydrophobicContact CB-CZ2 3.99Å; H245-W247 HydrophobicContact CB-CZ3 3.39Å; H245-W247 AromaticContact CG-CH2 3.95Å; W247-M249 HydrophobicContact CB-CG 4.38Å; W247-M249 HydrophobicContact CB-SD 3.53Å; W247-M249 VanDerWaalsContact CB-SD 3.53Å; W247-M249 HydrophobicContact CG-SD 4.42Å; W247-F258 HydrophobicContact CB-CB 4.22Å; W247-F258 HydrophobicContact CG-CB 4.45Å; W247-A259 CarbonylContact C-O 3.5Å; W247-A259 WeakPolarHBondContact CA-O 3.27Å |
| 248 | D | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.1 | 162.9 | -169.7 | -53.5 | 0 | 0 | 0 | 108.5 | R250 F258 A259 R303 I325 | D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 PolarHBondContact O-N 2.77Å; D248-R250 WeakPolarHBondContact OD1-CB 3.25Å; D248-R250 PolarHBondContact OD1-N 2.84Å; D248-R250 VanDerWaalsContact OD1-N 3.14Å; D248-F258 VanDerWaalsContact O-CD1 3.32Å; D248-F258 WeakPolarHBondContact O-CD1 3.37Å; D248-A259 PolarHBondContact N-O 2.94Å; D248-R303 IonicContact OD1-CZ 3.49Å; D248-R303 IonicContact OD1-NE 3.34Å; D248-R303 IonicContact OD1-NH2 3.42Å; D248-R303 PolarHBondContact OD1-NH2 3.34Å; D248-R303 IonicContact OD2-CZ 3.6Å; D248-R303 IonicContact OD2-NE 3.71Å; D248-R303 PolarHBondContact OD2-NE 2.88Å; D248-R303 IonicContact OD2-NH2 2.8Å; D248-R303 PolarHBondContact OD2-NH2 2.99Å; D248-I325 HydrophobicContact CB-CD1 4Å |
| 249 | M | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 9.6 | -169 | -59.2 | -61.9 | -68.5 | 0 | 0 | 113.6 | L202 F225 M232 N233 L235 W247 F258 | L202-M249 HydrophobicContact CD2-CE 3.92Å; F225-M249 HydrophobicContact CE1-CE 4.27Å; F225-M249 HydrophobicContact CE1-CG 4.33Å; M232-M249 HydrophobicContact CB-CB 3.68Å; M232-M249 HydrophobicContact SD-CE 4.27Å; N233-M249 PolarHBondContact O-N 2.85Å; L235-M249 HydrophobicContact CB-CE 4.46Å; L235-M249 HydrophobicContact CB-CG 3.74Å; L235-M249 HydrophobicContact CB-SD 3.79Å; L235-M249 HydrophobicContact CD2-CE 4.35Å; L235-M249 HydrophobicContact CD2-SD 4.4Å; W247-M249 HydrophobicContact CB-CG 4.38Å; W247-M249 HydrophobicContact CB-SD 3.53Å; W247-M249 VanDerWaalsContact CB-SD 3.53Å; W247-M249 HydrophobicContact CG-SD 4.42Å; M249-F258 HydrophobicContact CB-CE1 4.48Å; M249-F258 HydrophobicContact CE-CD2 3.71Å; M249-F258 HydrophobicContact CE-CE1 4.34Å; M249-F258 HydrophobicContact CE-CE2 3.45Å; M249-F258 VanDerWaalsContact CE-CE2 3.45Å; M249-F258 HydrophobicContact CE-CG 4.27Å; M249-F258 HydrophobicContact CE-CZ 3.8Å; M249-F258 WeakPolarHBondContact O-CE1 3.38Å; M249-F258 HydrophobicContact SD-CB 4.3Å; M249-F258 HydrophobicContact SD-CD1 4.24Å; M249-F258 HydrophobicContact SD-CD2 3.79Å; M249-F258 HydrophobicContact SD-CE2 4.14Å; M249-F258 HydrophobicContact SD-CG 3.85Å; M249-F258 HydrophobicContact SD-CZ 4.48Å |
| 250 | R | 96.8 | Very high | 96.7 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -36.8 | -175.8 | -70.2 | -67.1 | 176.3 | 83.7 | -4.3 | 114 | M232 N233 D248 R303 | M232-R250 WeakPolarHBondContact O-CD 3.38Å; M232-R250 PolarHBondContact O-NE 3.44Å; N233-R250 VanDerWaalsContact OD1-CZ 3.3Å; N233-R250 PolarHBondContact OD1-NE 2.83Å; N233-R250 PolarHBondContact OD1-NH2 3.47Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 PolarHBondContact O-N 2.77Å; D248-R250 WeakPolarHBondContact OD1-CB 3.25Å; D248-R250 PolarHBondContact OD1-N 2.84Å; D248-R250 VanDerWaalsContact OD1-N 3.14Å; R250-R303 VanDerWaalsContact CG-CZ 3.47Å |
| 251 | T | 97.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 107.1 | -174.6 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 252 | Q | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.1 | 176.4 | -167 | 174 | -12.9 | 0 | 0 | 109.4 | R211 F258 | R211-Q252 PolarHBondContact O-NE2 2.83Å; Q252-F258 HydrophobicContact CB-CD1 4.02Å; Q252-F258 HydrophobicContact CB-CE1 3.45Å; Q252-F258 VanDerWaalsContact CB-CE1 3.45Å; Q252-F258 HydrophobicContact CB-CE2 4.38Å; Q252-F258 HydrophobicContact CB-CZ 3.65Å; Q252-F258 HydrophobicContact CG-CD1 4.38Å; Q252-F258 HydrophobicContact CG-CD2 4.42Å; Q252-F258 HydrophobicContact CG-CE1 3.95Å; Q252-F258 HydrophobicContact CG-CE2 3.97Å; Q252-F258 HydrophobicContact CG-CZ 3.72Å |
| 253 | H | 96.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.8 | 170 | -173.3 | -71.1 | 0 | 0 | 0 | 109.5 | K255 K256 G257 E309 Q322 | H253-K255 PolarHBondContact ND1-N 3.21Å; H253-K255 VanDerWaalsContact ND1-N 3.12Å; H253-K255 PolarHBondContact O-N 2.85Å; H253-K256 HydrophobicContact CB-CB 4.04Å; H253-K256 PolarHBondContact ND1-N 3.23Å; H253-K256 VanDerWaalsContact ND1-N 3.12Å; H253-G257 WeakPolarHBondContact CB-O 3.47Å; H253-G257 PolarHBondContact N-O 2.88Å; H253-G257 VanDerWaalsContact O-CA 3.31Å; H253-G257 WeakPolarHBondContact O-CA 3.23Å; H253-G257 PolarHBondContact O-N 2.86Å; H253-E309 IonicContact CE1-OE2 3.98Å; H253-E309 PolarHBondContact CE1-OE2 2.81Å; H253-E309 IonicContact NE2-OE1 2.65Å; H253-E309 PolarHBondContact NE2-OE1 2.89Å; H253-E309 IonicContact NE2-OE2 3.09Å; H253-E309 PolarHBondContact NE2-OE2 3.18Å; H253-Q322 HydrophobicContact CB-CG 4.48Å |
| 254 | P | 91.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 51.6 Ų | 51.6 | 75% | 0.747 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -46.2 | -176.2 | -27.5 | 34.1 | 0 | 0 | 0 | 114.1 | V320 | P254-V320 HydrophobicContact CG-CG1 4.21Š|
| 255 | K | 91.3 | Very high | 95.2 | Very high | 189 Ų | 189 | 55.8 Ų | 55.8 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -47.6 | 178.3 | -170.6 | 174.9 | -178.4 | 175.8 | 0 | 115.1 | H253 | H253-K255 PolarHBondContact ND1-N 3.21Å; H253-K255 VanDerWaalsContact ND1-N 3.12Å; H253-K255 PolarHBondContact O-N 2.85Å |
| 256 | K | 93.3 | Very high | 94.3 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.5 | -173.7 | -65.3 | 170.8 | 179.2 | 156.3 | 0 | 113.8 | H253 E309 | H253-K256 HydrophobicContact CB-CB 4.04Å; H253-K256 PolarHBondContact ND1-N 3.23Å; H253-K256 VanDerWaalsContact ND1-N 3.12Å; K256-E309 IonicContact NZ-OE1 2.65Å; K256-E309 PolarHBondContact NZ-OE1 3.35Å |
| 257 | G | 96.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -146.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | H253 | H253-G257 WeakPolarHBondContact CB-O 3.47Å; H253-G257 PolarHBondContact N-O 2.88Å; H253-G257 VanDerWaalsContact O-CA 3.31Å; H253-G257 WeakPolarHBondContact O-CA 3.23Å; H253-G257 PolarHBondContact O-N 2.86Å |
| 258 | F | 98.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145.8 | -179.6 | -64.7 | -71.7 | 0 | 0 | 0 | 112 | L202 W212 W247 D248 M249 Q252 | L202-F258 HydrophobicContact CD2-CE2 4.43Å; W212-F258 HydrophobicContact CB-CE2 3.93Å; W212-F258 AromaticContact CD1-CD2 3.96Å; W212-F258 AromaticContact CD2-CD2 3.76Å; W212-F258 HydrophobicContact CD2-CD2 3.76Å; W212-F258 AromaticContact CD2-CE2 3.94Å; W212-F258 HydrophobicContact CD2-CE2 3.94Å; W212-F258 AromaticContact CE2-CD2 3.8Å; W212-F258 HydrophobicContact CE3-CD2 4.33Å; W212-F258 HydrophobicContact CE3-CE2 4.43Å; W212-F258 AromaticContact CG-CD2 3.85Å; W212-F258 HydrophobicContact CG-CD2 3.85Å; W212-F258 AromaticContact CG-CE2 3.7Å; W212-F258 HydrophobicContact CG-CE2 3.7Å; W212-F258 HydrophobicContact CZ2-CD2 4.35Å; W212-F258 AromaticContact NE1-CD2 3.95Å; W247-F258 HydrophobicContact CB-CB 4.22Å; W247-F258 HydrophobicContact CG-CB 4.45Å; D248-F258 VanDerWaalsContact O-CD1 3.32Å; D248-F258 WeakPolarHBondContact O-CD1 3.37Å; M249-F258 HydrophobicContact CB-CE1 4.48Å; M249-F258 HydrophobicContact CE-CD2 3.71Å; M249-F258 HydrophobicContact CE-CE1 4.34Å; M249-F258 HydrophobicContact CE-CE2 3.45Å; M249-F258 VanDerWaalsContact CE-CE2 3.45Å; M249-F258 HydrophobicContact CE-CG 4.27Å; M249-F258 HydrophobicContact CE-CZ 3.8Å; M249-F258 WeakPolarHBondContact O-CE1 3.38Å; M249-F258 HydrophobicContact SD-CB 4.3Å; M249-F258 HydrophobicContact SD-CD1 4.24Å; M249-F258 HydrophobicContact SD-CD2 3.79Å; M249-F258 HydrophobicContact SD-CE2 4.14Å; M249-F258 HydrophobicContact SD-CG 3.85Å; M249-F258 HydrophobicContact SD-CZ 4.48Å; Q252-F258 HydrophobicContact CB-CD1 4.02Å; Q252-F258 HydrophobicContact CB-CE1 3.45Å; Q252-F258 VanDerWaalsContact CB-CE1 3.45Å; Q252-F258 HydrophobicContact CB-CE2 4.38Å; Q252-F258 HydrophobicContact CB-CZ 3.65Å; Q252-F258 HydrophobicContact CG-CD1 4.38Å; Q252-F258 HydrophobicContact CG-CD2 4.42Å; Q252-F258 HydrophobicContact CG-CE1 3.95Å; Q252-F258 HydrophobicContact CG-CE2 3.97Å; Q252-F258 HydrophobicContact CG-CZ 3.72Å |
| 259 | A | 98.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | W247 D248 G323 I325 | W247-A259 CarbonylContact C-O 3.5Å; W247-A259 WeakPolarHBondContact CA-O 3.27Å; D248-A259 PolarHBondContact N-O 2.94Å; A259-G323 VanDerWaalsContact CB-C 3.43Å; A259-G323 WeakPolarHBondContact CB-O 3.35Å; A259-I325 HydrophobicContact CB-CB 4.18Å |
| 260 | S | 98.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156 | -173.4 | 67 | 0 | 0 | 0 | 0 | 113.3 | V246 | V246-S260 CarbonylContact O-C 3.53Å; V246-S260 WeakPolarHBondContact O-CA 3.3Å; V246-S260 WeakPolarHBondContact O-CB 3.46Å |
| 261 | L | 98.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.5 | 164.7 | 65.6 | 80 | 0 | 0 | 0 | 109.9 | H245 V246 Y297 I325 G326 L328 | H245-L261 WeakPolarHBondContact CA-O 3.44Å; V246-L261 HydrophobicContact CB-CD1 3.91Å; V246-L261 HydrophobicContact CB-CG 3.97Å; V246-L261 HydrophobicContact CG2-CD1 3.87Å; V246-L261 HydrophobicContact CG2-CG 4.46Å; V246-L261 PolarHBondContact N-O 3.46Å; V246-L261 PolarHBondContact O-N 2.97Å; L261-Y297 HydrophobicContact CD2-CE2 4.39Å; L261-I325 HydrophobicContact CB-CG1 3.88Å; L261-I325 HydrophobicContact CB-CG2 4.41Å; L261-I325 HydrophobicContact CD2-CD1 4.4Å; L261-I325 HydrophobicContact CD2-CG1 3.74Å; L261-I325 HydrophobicContact CG-CD1 4.4Å; L261-I325 HydrophobicContact CG-CG1 3.84Å; L261-G326 WeakPolarHBondContact CD2-O 3.31Å; L261-L328 HydrophobicContact CD1-CD1 3.99Å; L261-L328 HydrophobicContact CD1-CG 4.08Å; L261-L328 HydrophobicContact CD2-CG 4.3Å |
| 262 | V | 97.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 61.6 Ų | 61.6 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.5 | 171 | -171.7 | 0 | 0 | 0 | 0 | 107.5 | K243 I244 H245 | K243-V262 HydrophobicContact CB-CG1 4.12Å; K243-V262 HydrophobicContact CD-CG1 4.08Å; K243-V262 HydrophobicContact CG-CG1 4.34Å; I244-V262 WeakPolarHBondContact O-CA 3.39Å; H245-V262 WeakPolarHBondContact ND1-CG2 3.15Å |
| 263 | E | 95.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 150.2 | 173.2 | -166.9 | 48.9 | -119.6 | 0 | 0 | 110.4 | I244 W295 L328 | I244-E263 HydrophobicContact CB-CB 4.12Å; I244-E263 PolarHBondContact O-N 2.99Å; E263-W295 HydrophobicContact CG-CH2 3.78Å; E263-W295 HydrophobicContact CG-CZ3 3.69Å; E263-L328 HydrophobicContact CB-CD1 4.1Å; E263-L328 HydrophobicContact CG-CD1 4.38Å |
| 264 | K | 82.3 | Confident | 93.7 | Very high | 171 Ų | 171 | 58.3 Ų | 58.3 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 153.5 | -174.4 | -69.8 | -179 | -179.4 | 176.9 | 0 | 112.2 | Q266 | K264-Q266 PolarHBondContact O-N 3.1Š|
| 265 | N | 77.2 | Confident | 94 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 124.7 | 177.6 | -176.5 | -11 | 0 | 0 | 0 | 110.8 | E241 G242 G267 | E241-N265 PolarHBondContact O-ND2 3.02Å; E241-N265 PolarHBondContact O-OD1 3.25Å; G242-N265 WeakPolarHBondContact O-CA 3.31Å; N265-G267 PolarHBondContact O-N 2.78Å; N265-G267 WeakPolarHBondContact OD1-CA 3.31Å; N265-G267 PolarHBondContact OD1-N 3.31Å |
| 266 | Q | 78.7 | Confident | 94.3 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | -72.7 | 1.7 | 176.5 | -64.4 | -65.2 | -55.1 | 0 | 0 | 114.1 | G242 K264 A268 V270 C293 W295 | G242-Q266 PolarHBondContact O-N 2.93Å; K264-Q266 PolarHBondContact O-N 3.1Å; Q266-A268 VanDerWaalsContact C-N 3.31Å; Q266-A268 PolarHBondContact O-N 3.05Å; Q266-V270 HydrophobicContact CB-CG2 4.11Å; Q266-V270 HydrophobicContact CG-CG2 3.95Å; Q266-C293 PolarHBondContact OE1-SG 3.3Å; Q266-C293 VanDerWaalsContact OE1-SG 3.4Å; Q266-W295 VanDerWaalsContact NE2-CH2 3.3Å | ||
| 267 | G | 84.1 | Confident | 94.4 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 70% | 0.701 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 84.9 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N265 | N265-G267 PolarHBondContact O-N 2.78Å; N265-G267 WeakPolarHBondContact OD1-CA 3.31Å; N265-G267 PolarHBondContact OD1-N 3.31Å |
| 268 | A | 94.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -156.2 | 165.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G242 Q266 V270 N289 | G242-A268 WeakPolarHBondContact CA-O 3.4Å; Q266-A268 VanDerWaalsContact C-N 3.31Å; Q266-A268 PolarHBondContact O-N 3.05Å; A268-V270 PolarHBondContact O-N 2.91Å; A268-N289 HydrophobicContact CB-CB 3.95Å |
| 269 | T | 97.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | trans | -47 | 138 | 172.6 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | L240 W271 G287 G288 | L240-T269 HydrophobicContact CD1-CG2 4.06Å; L240-T269 WeakPolarHBondContact O-CA 3.39Å; L240-T269 VanDerWaalsContact O-CB 3.28Å; L240-T269 WeakPolarHBondContact O-CB 3.3Å; L240-T269 PolarHBondContact O-OG1 3.2Å; T269-W271 HydrophobicContact CG2-CD2 3.53Å; T269-W271 VanDerWaalsContact CG2-CE2 3.42Å; T269-W271 HydrophobicContact CG2-CE3 3.78Å; T269-W271 HydrophobicContact CG2-CG 4.1Å; T269-W271 HydrophobicContact CG2-CH2 3.88Å; T269-W271 HydrophobicContact CG2-CZ2 3.62Å; T269-W271 HydrophobicContact CG2-CZ3 3.95Å; T269-G287 CarbonylContact O-C 3.34Å; T269-G287 WeakPolarHBondContact O-CA 3.42Å; T269-G288 PolarHBondContact O-N 2.88Å | ||
| 270 | V | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 103 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | C221 T238 T239 Q266 A268 T285 A286 | C221-V270 VanDerWaalsContact CB-O 3.27Å; C221-V270 WeakPolarHBondContact CB-O 3.45Å; T238-V270 WeakPolarHBondContact CB-O 3.41Å; T238-V270 HydrophobicContact CG2-CB 4.32Å; T238-V270 HydrophobicContact CG2-CG1 3.5Å; T238-V270 VanDerWaalsContact CG2-CG1 3.5Å; T238-V270 PolarHBondContact OG1-O 2.89Å; T239-V270 PolarHBondContact O-N 2.88Å; Q266-V270 HydrophobicContact CB-CG2 4.11Å; Q266-V270 HydrophobicContact CG-CG2 3.95Å; A268-V270 PolarHBondContact O-N 2.91Å; V270-T285 HydrophobicContact CG1-CG2 4.05Å; V270-A286 CarbonylContact C-O 3.57Å; V270-A286 WeakPolarHBondContact CA-O 3.4Å |
| 271 | W | 98.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -34.7 | -170.1 | -69.1 | 111.3 | 0 | 0 | 0 | 113.6 | C221 C222 L240 T269 A286 | C221-W271 HydrophobicContact CB-CE3 4.47Å; C222-W271 WeakPolarHBondContact CB-O 3.22Å; L240-W271 HydrophobicContact CD1-CH2 4.33Å; T269-W271 HydrophobicContact CG2-CD2 3.53Å; T269-W271 VanDerWaalsContact CG2-CE2 3.42Å; T269-W271 HydrophobicContact CG2-CE3 3.78Å; T269-W271 HydrophobicContact CG2-CG 4.1Å; T269-W271 HydrophobicContact CG2-CH2 3.88Å; T269-W271 HydrophobicContact CG2-CZ2 3.62Å; T269-W271 HydrophobicContact CG2-CZ3 3.95Å; W271-A286 PolarHBondContact N-O 2.99Å |
| 272 | Q | 98.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 46 Ų | 46 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.2 | -174.6 | -153.9 | -178.7 | 34 | 0 | 0 | 112.2 | C222 T285 A286 S343 I344 | C222-Q272 HydrophobicContact CB-CG 4.32Å; Q272-T285 CarbonylContact O-C 3.48Å; Q272-T285 VanDerWaalsContact O-CA 3.22Å; Q272-T285 WeakPolarHBondContact O-CA 3.25Å; Q272-A286 HydrophobicContact CB-CB 4.27Å; Q272-A286 PolarHBondContact O-N 2.85Å; Q272-S343 PolarHBondContact NE2-OG 2.89Å; Q272-S343 PolarHBondContact OE1-OG 2.91Å; Q272-I344 PolarHBondContact OE1-O 3.19Å |
| 273 | V | 98.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.8 | 160.9 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | C222 Q224 V236 T238 F283 M284 T285 | C222-V273 HydrophobicContact CB-CG1 4.28Å; Q224-V273 HydrophobicContact CB-CG1 3.77Å; Q224-V273 PolarHBondContact OE1-O 3.1Å; V236-V273 HydrophobicContact CB-CG1 4.29Å; V236-V273 HydrophobicContact CB-CG2 4.02Å; V236-V273 HydrophobicContact CG1-CB 4.18Å; V236-V273 HydrophobicContact CG1-CG1 4.21Å; V236-V273 HydrophobicContact CG1-CG2 3.82Å; T238-V273 HydrophobicContact CG2-CB 3.72Å; T238-V273 HydrophobicContact CG2-CG1 3.98Å; V273-F283 HydrophobicContact CG2-CB 4.12Å; V273-F283 HydrophobicContact CG2-CD2 3.64Å; V273-F283 HydrophobicContact CG2-CE2 4.34Å; V273-F283 HydrophobicContact CG2-CG 4.08Å; V273-M284 CarbonylContact C-O 3.56Å; V273-M284 WeakPolarHBondContact CA-O 3.44Å; V273-T285 HydrophobicContact CB-CG2 4.47Å |
| 274 | S | 98.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 107.2 | 176 | -167.3 | 0 | 0 | 0 | 0 | 111 | Q224 F283 M284 W346 | Q224-S274 VanDerWaalsContact OE1-CA 3.23Å; S274-F283 CarbonylContact O-C 3.5Å; S274-F283 WeakPolarHBondContact O-CA 3.35Å; S274-M284 PolarHBondContact N-O 2.83Å; S274-M284 PolarHBondContact O-N 2.97Å; S274-W346 PolarHBondContact O-NE1 3.39Å; S274-W346 VanDerWaalsContact OG-CD1 3.28Å |
| 275 | H | 98.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 140.9 | 175.5 | -73 | 84.6 | 0 | 0 | 0 | 111.2 | Q224 K234 P277 R280 F283 W346 | Q224-H275 PolarHBondContact OE1-ND1 3.07Å; K234-H275 PolarHBondContact NZ-NE2 3.13Å; H275-P277 WeakPolarHBondContact O-CD 3.47Å; H275-R280 PolarHBondContact CD2-O 3.4Å; H275-R280 VanDerWaalsContact CD2-O 3.31Å; H275-F283 HydrophobicContact CB-CB 4.33Å; H275-W346 VanDerWaalsContact O-CD1 3.22Å |
| 276 | L | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -72.1 | 119.8 | 177 | -177.1 | 67.3 | 0 | 0 | 0 | 109.3 | Q278 Q279 I282 W346 L351 L371 | L276-Q278 VanDerWaalsContact C-N 3.27Å; L276-Q278 PolarHBondContact O-N 3.28Å; L276-Q279 HydrophobicContact CD2-CB 4.08Å; L276-Q279 CarbonylContact O-C 3.6Å; L276-Q279 VanDerWaalsContact O-C 3.26Å; L276-Q279 PolarHBondContact O-N 2.82Å; L276-Q279 VanDerWaalsContact O-N 3.13Å; L276-Q279 VanDerWaalsContact O-O 3.11Å; L276-I282 HydrophobicContact CB-CB 4.27Å; L276-I282 HydrophobicContact CB-CG2 4.3Å; L276-I282 HydrophobicContact CD2-CB 4.27Å; L276-I282 HydrophobicContact CD2-CG2 4.19Å; L276-I282 PolarHBondContact N-O 3.1Å; L276-W346 HydrophobicContact CD1-CD2 3.7Å; L276-W346 HydrophobicContact CD1-CE3 3.69Å; L276-W346 HydrophobicContact CD1-CG 4.15Å; L276-W346 HydrophobicContact CD1-CH2 4.3Å; L276-W346 HydrophobicContact CD1-CZ2 4.26Å; L276-W346 HydrophobicContact CD1-CZ3 4.05Å; L276-L351 HydrophobicContact CD1-CD1 4.27Å; L276-L351 HydrophobicContact CD2-CD1 3.79Å; L276-L351 HydrophobicContact CG-CD1 4.32Å; L276-L371 HydrophobicContact CD1-CD1 4.31Å; L276-L371 HydrophobicContact CD2-CD1 3.84Å; L276-L371 HydrophobicContact CD2-CD2 4.23Å; L276-L371 HydrophobicContact CD2-CG 4.43Å | ||
| 277 | P | 96.1 | Very high | 97 | Very high | 56 Ų | 56 | 25.6 Ų | 25.6 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -39.8 | -172.4 | -28.4 | 35.9 | 0 | 0 | 0 | 113.4 | R227 H275 W346 P348 | R227-P277 PolarHBondContact NH2-O 3.12Å; H275-P277 WeakPolarHBondContact O-CD 3.47Å; P277-W346 VanDerWaalsContact CD-CB 3.45Å; P277-W346 HydrophobicContact CG-CB 3.93Å; P277-P348 HydrophobicContact CB-CB 4.45Å; P277-P348 HydrophobicContact CG-CB 4.48Å |
| 278 | Q | 95.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 23.4 Ų | 23.4 | 31% | 0.308 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23.3 | -176 | -54.2 | 84.8 | -3.2 | 0 | 0 | 113 | L276 C347 P348 L351 | L276-Q278 VanDerWaalsContact C-N 3.27Å; L276-Q278 PolarHBondContact O-N 3.28Å; Q278-C347 PolarHBondContact NE2-O 3.37Å; Q278-P348 VanDerWaalsContact NE2-C 3.33Å; Q278-P348 PolarHBondContact NE2-O 2.82Å; Q278-L351 HydrophobicContact CB-CD1 4.11Å; Q278-L351 HydrophobicContact CG-CD1 4.44Å |
| 279 | Q | 95.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 27% | 0.271 | 13% | 0.13 | S | C | . | . | trans | -141.2 | 98.5 | -179.1 | 176.2 | 60.7 | -66.1 | 0 | 0 | 110.6 | L276 D281 I282 F374 | L276-Q279 HydrophobicContact CD2-CB 4.08Å; L276-Q279 CarbonylContact O-C 3.6Å; L276-Q279 VanDerWaalsContact O-C 3.26Å; L276-Q279 PolarHBondContact O-N 2.82Å; L276-Q279 VanDerWaalsContact O-N 3.13Å; L276-Q279 VanDerWaalsContact O-O 3.11Å; Q279-D281 PolarHBondContact O-N 3.01Å; Q279-D281 VanDerWaalsContact O-N 3.07Å; Q279-I282 HydrophobicContact CB-CD1 4.43Å; Q279-I282 HydrophobicContact CG-CB 4.35Å; Q279-I282 HydrophobicContact CG-CD1 3.73Å; Q279-I282 HydrophobicContact CG-CG1 3.87Å; Q279-I282 PolarHBondContact O-N 3.1Å; Q279-I282 VanDerWaalsContact O-N 3.09Å; Q279-F374 PolarHBondContact NE2-O 3.08Å; Q279-F374 VanDerWaalsContact NE2-O 3.14Å | ||
| 280 | R | 96 | Very high | 97.6 | Very high | 70 Ų | 70 | 24.1 Ų | 24.1 | 26% | 0.264 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.6 | -168.8 | 72.8 | -179.5 | -174.1 | -168.5 | -4.8 | 114.8 | D226 R227 K234 H275 I282 | D226-R280 HydrophobicContact CB-CB 4.33Å; D226-R280 WeakPolarHBondContact OD2-CD 3.49Å; R227-R280 HydrophobicContact CG-CB 4.16Å; K234-R280 PolarHBondContact NZ-O 3.07Å; H275-R280 PolarHBondContact CD2-O 3.4Å; H275-R280 VanDerWaalsContact CD2-O 3.31Å; R280-I282 VanDerWaalsContact C-N 3.31Å |
| 281 | D | 97.7 | Very high | 97.5 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.6 | -177.6 | -61.4 | -43.1 | 0 | 0 | 0 | 112.1 | K234 Q279 Q296 Y297 Y299 | K234-D281 VanDerWaalsContact CE-OD1 3.27Å; K234-D281 WeakPolarHBondContact CE-OD1 2.96Å; Q279-D281 PolarHBondContact O-N 3.01Å; Q279-D281 VanDerWaalsContact O-N 3.07Å; D281-Q296 CarbonylContact O-C 3.51Å; D281-Q296 WeakPolarHBondContact O-CA 3.49Å; D281-Y297 PolarHBondContact O-N 2.78Å; D281-Y299 WeakPolarHBondContact OD1-CE2 3.33Å; D281-Y299 VanDerWaalsContact OD1-CZ 3.29Å; D281-Y299 PolarHBondContact OD1-OH 3.48Å; D281-Y299 WeakPolarHBondContact OD2-CE2 2.94Å |
| 282 | I | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.5 | 174.6 | -62.3 | 175.7 | 0 | 0 | 0 | 109.7 | L276 Q279 R280 L294 W295 Q296 L331 L371 F374 | L276-I282 HydrophobicContact CB-CB 4.27Å; L276-I282 HydrophobicContact CB-CG2 4.3Å; L276-I282 HydrophobicContact CD2-CB 4.27Å; L276-I282 HydrophobicContact CD2-CG2 4.19Å; L276-I282 PolarHBondContact N-O 3.1Å; Q279-I282 HydrophobicContact CB-CD1 4.43Å; Q279-I282 HydrophobicContact CG-CB 4.35Å; Q279-I282 HydrophobicContact CG-CD1 3.73Å; Q279-I282 HydrophobicContact CG-CG1 3.87Å; Q279-I282 PolarHBondContact O-N 3.1Å; Q279-I282 VanDerWaalsContact O-N 3.09Å; R280-I282 VanDerWaalsContact C-N 3.31Å; I282-L294 HydrophobicContact CG2-CD1 3.54Å; I282-L294 HydrophobicContact CG2-CG 4.16Å; I282-W295 VanDerWaalsContact CA-O 3.26Å; I282-W295 WeakPolarHBondContact CA-O 3.31Å; I282-Q296 HydrophobicContact CG1-CG 4.45Å; I282-L331 HydrophobicContact CD1-CD1 4.47Å; I282-L371 HydrophobicContact CD1-CD2 4.25Å; I282-L371 HydrophobicContact CG2-CD2 4.34Å; I282-F374 HydrophobicContact CD1-CB 3.87Å |
| 283 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.5 | 173.2 | 62.7 | -89.6 | 0 | 0 | 0 | 111.8 | V236 I244 V273 S274 H275 T285 W295 L328 | V236-F283 HydrophobicContact CG1-CE2 4.26Å; V236-F283 HydrophobicContact CG1-CZ 4.43Å; V236-F283 HydrophobicContact CG2-CE1 4.38Å; V236-F283 HydrophobicContact CG2-CZ 4.5Å; I244-F283 HydrophobicContact CG2-CE2 4.42Å; V273-F283 HydrophobicContact CG2-CB 4.12Å; V273-F283 HydrophobicContact CG2-CD2 3.64Å; V273-F283 HydrophobicContact CG2-CE2 4.34Å; V273-F283 HydrophobicContact CG2-CG 4.08Å; S274-F283 CarbonylContact O-C 3.5Å; S274-F283 WeakPolarHBondContact O-CA 3.35Å; H275-F283 HydrophobicContact CB-CB 4.33Å; F283-T285 HydrophobicContact CD2-CG2 3.98Å; F283-T285 HydrophobicContact CE2-CG2 3.84Å; F283-W295 HydrophobicContact CD1-CB 4.15Å; F283-W295 HydrophobicContact CD2-CB 4Å; F283-W295 AromaticContact CD2-CD1 3.9Å; F283-W295 HydrophobicContact CD2-CG 4.22Å; F283-W295 HydrophobicContact CE1-CB 3.75Å; F283-W295 HydrophobicContact CE2-CB 3.6Å; F283-W295 AromaticContact CE2-CD1 3.52Å; F283-W295 AromaticContact CE2-CG 3.62Å; F283-W295 HydrophobicContact CE2-CG 3.62Å; F283-W295 HydrophobicContact CG-CB 4.27Å; F283-W295 HydrophobicContact CZ-CB 3.46Å; F283-W295 VanDerWaalsContact CZ-CB 3.46Å; F283-W295 AromaticContact CZ-CG 3.83Å; F283-W295 HydrophobicContact CZ-CG 3.83Å; F283-W295 PolarHBondContact N-O 3.18Å; F283-W295 PolarHBondContact O-N 3.32Å; F283-L328 HydrophobicContact CE1-CD2 3.72Å; F283-L328 HydrophobicContact CZ-CD1 3.93Å; F283-L328 HydrophobicContact CZ-CD2 3.84Å |
| 284 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.7 | 171.1 | -161.6 | 72.1 | 72 | 0 | 0 | 109.8 | M6 V273 S274 L292 C293 L294 I344 W346 L366 V368 | M6-M284 HydrophobicContact CE-CE 3.35Å; M6-M284 HydrophobicContact CE-SD 3.4Å; M6-M284 WeakPolarHBondContact CE-SD 3.37Å; M6-M284 HydrophobicContact SD-CE 4.2Å; M6-M284 HydrophobicContact SD-SD 4.26Å; V273-M284 CarbonylContact C-O 3.56Å; V273-M284 WeakPolarHBondContact CA-O 3.44Å; S274-M284 PolarHBondContact N-O 2.83Å; S274-M284 PolarHBondContact O-N 2.97Å; M284-L292 HydrophobicContact CG-CB 4.18Å; M284-L292 HydrophobicContact CG-CD2 4.23Å; M284-L292 HydrophobicContact SD-CB 3.9Å; M284-C293 CarbonylContact C-O 3.59Å; M284-C293 WeakPolarHBondContact CA-O 3.36Å; M284-L294 HydrophobicContact CE-CB 4.23Å; M284-L294 HydrophobicContact CE-CD1 3.71Å; M284-L294 HydrophobicContact SD-CB 3.91Å; M284-L294 HydrophobicContact SD-CD1 4.13Å; M284-I344 HydrophobicContact CB-CD1 4.13Å; M284-I344 HydrophobicContact CG-CD1 3.78Å; M284-W346 HydrophobicContact CB-CZ2 3.86Å; M284-W346 HydrophobicContact CE-CH2 3.49Å; M284-W346 VanDerWaalsContact CE-CH2 3.49Å; M284-W346 HydrophobicContact CE-CZ2 3.53Å; M284-L366 HydrophobicContact CE-CD2 4Å; M284-V368 HydrophobicContact CE-CG2 4.08Å |
| 285 | T | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.5 | 164.8 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | T238 I244 V270 Q272 V273 F283 L292 C293 W295 | T238-T285 HydrophobicContact CG2-CG2 4.23Å; I244-T285 HydrophobicContact CD1-CG2 3.82Å; I244-T285 HydrophobicContact CG1-CG2 4.31Å; V270-T285 HydrophobicContact CG1-CG2 4.05Å; Q272-T285 CarbonylContact O-C 3.48Å; Q272-T285 VanDerWaalsContact O-CA 3.22Å; Q272-T285 WeakPolarHBondContact O-CA 3.25Å; V273-T285 HydrophobicContact CB-CG2 4.47Å; F283-T285 HydrophobicContact CD2-CG2 3.98Å; F283-T285 HydrophobicContact CE2-CG2 3.84Å; T285-L292 WeakPolarHBondContact O-CA 3.12Å; T285-C293 PolarHBondContact N-O 2.97Å; T285-C293 PolarHBondContact O-N 2.77Å; T285-C293 PolarHBondContact OG1-O 3.23Å; T285-W295 PolarHBondContact OG1-NE1 3Å |
| 286 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V270 W271 Q272 L292 I341 I344 | V270-A286 CarbonylContact C-O 3.57Å; V270-A286 WeakPolarHBondContact CA-O 3.4Å; W271-A286 PolarHBondContact N-O 2.99Å; Q272-A286 HydrophobicContact CB-CB 4.27Å; Q272-A286 PolarHBondContact O-N 2.85Å; A286-L292 HydrophobicContact CB-CD2 3.85Å; A286-I341 HydrophobicContact CB-CB 4.18Å; A286-I341 HydrophobicContact CB-CG2 3.85Å; A286-I341 WeakPolarHBondContact CB-O 3.07Å; A286-I344 HydrophobicContact CB-CG2 4.4Å |
| 287 | G | 97.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 153.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T269 N289 G290 S291 I341 | T269-G287 CarbonylContact O-C 3.34Å; T269-G287 WeakPolarHBondContact O-CA 3.42Å; G287-N289 PolarHBondContact O-N 2.81Å; G287-G290 PolarHBondContact O-N 3.47Å; G287-G290 VanDerWaalsContact O-N 3.13Å; G287-S291 PolarHBondContact N-O 2.7Å; G287-I341 PolarHBondContact O-N 2.89Å; G287-I341 VanDerWaalsContact O-N 3.15Å |
| 288 | G | 97.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 22% | 0.216 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T269 G290 P340 | T269-G288 PolarHBondContact O-N 2.88Å; G288-G290 VanDerWaalsContact C-N 3.26Å; G288-P340 WeakPolarHBondContact O-CG 3.07Å |
| 289 | N | 95.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 19.4 Ų | 19.4 | 37% | 0.374 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 13.6 | 170.9 | 62.2 | -3.3 | 0 | 0 | 0 | 112.9 | A268 G287 S291 | A268-N289 HydrophobicContact CB-CB 3.95Å; G287-N289 PolarHBondContact O-N 2.81Å; N289-S291 VanDerWaalsContact C-N 3.3Å; N289-S291 PolarHBondContact O-N 2.87Å; N289-S291 VanDerWaalsContact OD1-CB 3.29Å; N289-S291 WeakPolarHBondContact OD1-CB 3.42Å; N289-S291 PolarHBondContact OD1-N 3.33Å; N289-S291 PolarHBondContact OD1-OG 3.4Å |
| 290 | G | 97.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 72.7 | 19.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G287 G288 L336 S337 Q339 I341 | G287-G290 PolarHBondContact O-N 3.47Å; G287-G290 VanDerWaalsContact O-N 3.13Å; G288-G290 VanDerWaalsContact C-N 3.26Å; G290-L336 PolarHBondContact O-N 3.01Å; G290-S337 WeakPolarHBondContact CA-O 3.44Å; G290-S337 PolarHBondContact O-N 3.04Å; G290-Q339 WeakPolarHBondContact CA-O 3.48Å; G290-Q339 PolarHBondContact N-O 3.05Å; G290-I341 VanDerWaalsContact O-CD1 3.25Å; G290-I341 WeakPolarHBondContact O-CD1 3.33Å |
| 291 | S | 96.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 154.3 | 178.6 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | G287 N289 V334 | G287-S291 PolarHBondContact N-O 2.7Å; N289-S291 VanDerWaalsContact C-N 3.3Å; N289-S291 PolarHBondContact O-N 2.87Å; N289-S291 VanDerWaalsContact OD1-CB 3.29Å; N289-S291 WeakPolarHBondContact OD1-CB 3.42Å; N289-S291 PolarHBondContact OD1-N 3.33Å; N289-S291 PolarHBondContact OD1-OG 3.4Å; S291-V334 CarbonylContact C-O 3.26Å; S291-V334 WeakPolarHBondContact CA-O 3.37Å; S291-V334 WeakPolarHBondContact CB-O 3.21Å |
| 292 | L | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.6 | 165.9 | -65.2 | 180 | 0 | 0 | 0 | 108.4 | M6 M284 T285 A286 N333 V334 L336 I341 I344 L366 | M6-L292 HydrophobicContact CE-CB 3.52Å; M6-L292 HydrophobicContact CE-CD1 4.25Å; M284-L292 HydrophobicContact CG-CB 4.18Å; M284-L292 HydrophobicContact CG-CD2 4.23Å; M284-L292 HydrophobicContact SD-CB 3.9Å; T285-L292 WeakPolarHBondContact O-CA 3.12Å; A286-L292 HydrophobicContact CB-CD2 3.85Å; L292-N333 CarbonylContact O-C 3.51Å; L292-N333 VanDerWaalsContact O-CA 3.25Å; L292-N333 WeakPolarHBondContact O-CA 3.45Å; L292-V334 HydrophobicContact CB-CG1 4.21Å; L292-V334 PolarHBondContact N-O 2.82Å; L292-V334 PolarHBondContact O-N 2.74Å; L292-L336 HydrophobicContact CD1-CD1 3.83Å; L292-L336 HydrophobicContact CG-CD1 4.49Å; L292-I341 HydrophobicContact CD1-CD1 4.42Å; L292-I341 HydrophobicContact CD2-CB 4.47Å; L292-I341 HydrophobicContact CD2-CD1 3.87Å; L292-I341 HydrophobicContact CD2-CG2 3.96Å; L292-I341 HydrophobicContact CG-CD1 3.7Å; L292-I344 HydrophobicContact CD1-CD1 4.11Å; L292-I344 HydrophobicContact CD2-CD1 4.25Å; L292-L366 HydrophobicContact CD1-CD2 3.69Å |
| 293 | C | 97.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.1 | 176.1 | -62.1 | 0 | 0 | 0 | 0 | 110 | Q266 M284 T285 W295 N333 | Q266-C293 PolarHBondContact OE1-SG 3.3Å; Q266-C293 VanDerWaalsContact OE1-SG 3.4Å; M284-C293 CarbonylContact C-O 3.59Å; M284-C293 WeakPolarHBondContact CA-O 3.36Å; T285-C293 PolarHBondContact N-O 2.97Å; T285-C293 PolarHBondContact O-N 2.77Å; T285-C293 PolarHBondContact OG1-O 3.23Å; C293-W295 HydrophobicContact CB-CZ2 3.97Å; C293-W295 PolarHBondContact O-NE1 2.98Å; C293-N333 HydrophobicContact CB-CB 4.45Å |
| 294 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.8 | 178.1 | -173.9 | 73.5 | 0 | 0 | 0 | 109.6 | P4 M6 I282 M284 Q330 L331 Q332 W346 V368 L371 | P4-L294 HydrophobicContact CB-CD2 3.82Å; P4-L294 HydrophobicContact CG-CD2 3.88Å; M6-L294 HydrophobicContact SD-CB 4.07Å; I282-L294 HydrophobicContact CG2-CD1 3.54Å; I282-L294 HydrophobicContact CG2-CG 4.16Å; M284-L294 HydrophobicContact CE-CB 4.23Å; M284-L294 HydrophobicContact CE-CD1 3.71Å; M284-L294 HydrophobicContact SD-CB 3.91Å; M284-L294 HydrophobicContact SD-CD1 4.13Å; L294-Q330 CarbonylContact O-C 3.59Å; L294-L331 HydrophobicContact CD2-CB 4.08Å; L294-L331 HydrophobicContact CD2-CD1 4.18Å; L294-L331 HydrophobicContact CG-CB 4.3Å; L294-L331 HydrophobicContact CG-CD1 4.43Å; L294-L331 PolarHBondContact O-N 3.2Å; L294-Q332 HydrophobicContact CB-CB 4.37Å; L294-Q332 PolarHBondContact N-O 2.83Å; L294-Q332 PolarHBondContact O-N 2.77Å; L294-W346 HydrophobicContact CD1-CH2 4.45Å; L294-W346 HydrophobicContact CD1-CZ2 4.22Å; L294-V368 HydrophobicContact CD2-CG1 4.04Å; L294-L371 HydrophobicContact CD2-CD2 3.88Å |
| 295 | W | 97.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.7 | -173.9 | -58.7 | 91 | 0 | 0 | 0 | 111.3 | I244 E263 Q266 I282 F283 T285 C293 L328 T329 Q330 | I244-W295 HydrophobicContact CD1-CD2 4.37Å; I244-W295 HydrophobicContact CD1-CH2 4.39Å; I244-W295 HydrophobicContact CD1-CZ2 3.68Å; E263-W295 HydrophobicContact CG-CH2 3.78Å; E263-W295 HydrophobicContact CG-CZ3 3.69Å; Q266-W295 VanDerWaalsContact NE2-CH2 3.3Å; I282-W295 VanDerWaalsContact CA-O 3.26Å; I282-W295 WeakPolarHBondContact CA-O 3.31Å; F283-W295 HydrophobicContact CD1-CB 4.15Å; F283-W295 HydrophobicContact CD2-CB 4Å; F283-W295 AromaticContact CD2-CD1 3.9Å; F283-W295 HydrophobicContact CD2-CG 4.22Å; F283-W295 HydrophobicContact CE1-CB 3.75Å; F283-W295 HydrophobicContact CE2-CB 3.6Å; F283-W295 AromaticContact CE2-CD1 3.52Å; F283-W295 AromaticContact CE2-CG 3.62Å; F283-W295 HydrophobicContact CE2-CG 3.62Å; F283-W295 HydrophobicContact CG-CB 4.27Å; F283-W295 HydrophobicContact CZ-CB 3.46Å; F283-W295 VanDerWaalsContact CZ-CB 3.46Å; F283-W295 AromaticContact CZ-CG 3.83Å; F283-W295 HydrophobicContact CZ-CG 3.83Å; F283-W295 PolarHBondContact N-O 3.18Å; F283-W295 PolarHBondContact O-N 3.32Å; T285-W295 PolarHBondContact OG1-NE1 3Å; C293-W295 HydrophobicContact CB-CZ2 3.97Å; C293-W295 PolarHBondContact O-NE1 2.98Å; W295-L328 HydrophobicContact CE3-CB 4.15Å; W295-L328 HydrophobicContact CE3-CD1 4.36Å; W295-T329 WeakPolarHBondContact CA-O 3.45Å; W295-Q330 HydrophobicContact CD2-CB 4.41Å; W295-Q330 HydrophobicContact CD2-CG 4.41Å; W295-Q330 HydrophobicContact CE3-CB 3.83Å; W295-Q330 HydrophobicContact CE3-CG 4.31Å; W295-Q330 HydrophobicContact CH2-CB 3.88Å; W295-Q330 HydrophobicContact CH2-CG 4.05Å; W295-Q330 VanDerWaalsContact CH2-OE1 3.24Å; W295-Q330 HydrophobicContact CZ2-CB 4.44Å; W295-Q330 HydrophobicContact CZ2-CG 4.14Å; W295-Q330 HydrophobicContact CZ3-CB 3.56Å; W295-Q330 HydrophobicContact CZ3-CG 4.15Å |
| 296 | Q | 97.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.9 | 165.7 | -175 | 171.1 | 20.8 | 0 | 0 | 109.7 | D281 I282 H298 L328 T329 L331 F374 | D281-Q296 CarbonylContact O-C 3.51Å; D281-Q296 WeakPolarHBondContact O-CA 3.49Å; I282-Q296 HydrophobicContact CG1-CG 4.45Å; Q296-H298 VanDerWaalsContact CD-CE1 3.42Å; Q296-H298 PolarHBondContact OE1-CE1 3.35Å; Q296-L328 WeakPolarHBondContact O-CA 3.38Å; Q296-T329 PolarHBondContact N-O 2.64Å; Q296-T329 PolarHBondContact O-N 2.72Å; Q296-L331 HydrophobicContact CB-CD1 3.91Å; Q296-L331 HydrophobicContact CB-CD2 4.01Å; Q296-L331 HydrophobicContact CB-CG 3.91Å; Q296-F374 PolarHBondContact NE2-OXT 2.93Å |
| 297 | Y | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.1 | 168.8 | 179.6 | -94.5 | 0 | 0 | 0 | 110.6 | K234 V246 L261 D281 Y299 I325 G326 L328 | K234-Y297 HydrophobicContact CD-CD1 3.46Å; K234-Y297 VanDerWaalsContact CD-CD1 3.46Å; K234-Y297 HydrophobicContact CD-CD2 4.41Å; K234-Y297 HydrophobicContact CD-CE1 3.77Å; K234-Y297 HydrophobicContact CD-CG 3.79Å; K234-Y297 HydrophobicContact CG-CE1 4.46Å; V246-Y297 HydrophobicContact CG1-CD2 4.15Å; V246-Y297 HydrophobicContact CG1-CE2 4.12Å; L261-Y297 HydrophobicContact CD2-CE2 4.39Å; D281-Y297 PolarHBondContact O-N 2.78Å; Y297-Y299 HydrophobicContact CD1-CD1 4.35Å; Y297-Y299 HydrophobicContact CD1-CD2 4.27Å; Y297-Y299 HydrophobicContact CD1-CE1 4.22Å; Y297-Y299 HydrophobicContact CD1-CE2 4.13Å; Y297-Y299 HydrophobicContact CD1-CG 4.36Å; Y297-Y299 AromaticContact CE1-CD1 3.57Å; Y297-Y299 HydrophobicContact CE1-CD1 3.57Å; Y297-Y299 HydrophobicContact CE1-CD2 4.23Å; Y297-Y299 AromaticContact CE1-CE1 3.65Å; Y297-Y299 HydrophobicContact CE1-CE1 3.65Å; Y297-Y299 HydrophobicContact CE1-CE2 4.28Å; Y297-Y299 AromaticContact CE1-CG 3.87Å; Y297-Y299 HydrophobicContact CE1-CG 3.87Å; Y297-Y299 AromaticContact CE1-CZ 3.99Å; Y297-I325 HydrophobicContact CE2-CD1 3.99Å; Y297-I325 HydrophobicContact CE2-CG1 4.49Å; Y297-G326 WeakPolarHBondContact OH-CA 3.41Å; Y297-G326 PolarHBondContact OH-N 3.34Å; Y297-L328 HydrophobicContact CD2-CD2 3.86Å; Y297-L328 HydrophobicContact CG-CD2 4.38Å |
| 298 | H | 98.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.3 | 175.5 | -61.5 | -79.2 | 0 | 0 | 0 | 109.7 | Q296 G326 H327 T329 | Q296-H298 VanDerWaalsContact CD-CE1 3.42Å; Q296-H298 PolarHBondContact OE1-CE1 3.35Å; H298-G326 CarbonylContact O-C 3.58Å; H298-G326 WeakPolarHBondContact O-CA 3.26Å; H298-H327 VanDerWaalsContact CB-CE1 3.41Å; H298-H327 WeakPolarHBondContact CB-CE1 3.26Å; H298-H327 AromaticContact CD2-CD2 3.89Å; H298-H327 AromaticContact CD2-NE2 3.49Å; H298-H327 PolarHBondContact CD2-NE2 2.86Å; H298-H327 AromaticContact CG-CE1 3.95Å; H298-H327 AromaticContact CG-NE2 3.76Å; H298-H327 PolarHBondContact N-O 2.83Å; H298-H327 PolarHBondContact O-N 3.29Å; H298-H327 VanDerWaalsContact O-N 3.1Å; H298-T329 PolarHBondContact CD2-OG1 3.14Å; H298-T329 VanDerWaalsContact CD2-OG1 3.3Å; H298-T329 PolarHBondContact NE2-OG1 3.4Å; H298-T329 VanDerWaalsContact NE2-OG1 3.12Å |
| 299 | Y | 98.4 | Very high | 97.1 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 26% | 0.255 | 27% | 0.27 | S | S | . | . | trans | -63.2 | 146.9 | 175.9 | -66.1 | -87.9 | 0 | 0 | 0 | 111.2 | N233 D281 Y297 R303 | N233-Y299 PolarHBondContact ND2-OH 3.25Å; D281-Y299 WeakPolarHBondContact OD1-CE2 3.33Å; D281-Y299 VanDerWaalsContact OD1-CZ 3.29Å; D281-Y299 PolarHBondContact OD1-OH 3.48Å; D281-Y299 WeakPolarHBondContact OD2-CE2 2.94Å; Y297-Y299 HydrophobicContact CD1-CD1 4.35Å; Y297-Y299 HydrophobicContact CD1-CD2 4.27Å; Y297-Y299 HydrophobicContact CD1-CE1 4.22Å; Y297-Y299 HydrophobicContact CD1-CE2 4.13Å; Y297-Y299 HydrophobicContact CD1-CG 4.36Å; Y297-Y299 AromaticContact CE1-CD1 3.57Å; Y297-Y299 HydrophobicContact CE1-CD1 3.57Å; Y297-Y299 HydrophobicContact CE1-CD2 4.23Å; Y297-Y299 AromaticContact CE1-CE1 3.65Å; Y297-Y299 HydrophobicContact CE1-CE1 3.65Å; Y297-Y299 HydrophobicContact CE1-CE2 4.28Å; Y297-Y299 AromaticContact CE1-CG 3.87Å; Y297-Y299 HydrophobicContact CE1-CG 3.87Å; Y297-Y299 AromaticContact CE1-CZ 3.99Å; Y299-R303 HydrophobicContact CD1-CG 4.23Å | ||
| 300 | P | 98.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | trans | -69.5 | 160.7 | 168.1 | 33.1 | -34 | 0 | 0 | 0 | 109.9 | K302 R303 V324 | P300-K302 WeakPolarHBondContact CG-O 3.48Å; P300-K302 PolarHBondContact O-N 3.32Å; P300-R303 HydrophobicContact CG-CG 4.08Å; P300-V324 HydrophobicContact CB-CG1 3.83Å; P300-V324 HydrophobicContact CG-CB 4.15Å; P300-V324 HydrophobicContact CG-CG1 3.87Å; P300-V324 WeakPolarHBondContact CG-O 3.37Å | ||
| 301 | S | 97.9 | Very high | 96.4 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 93% | 0.93 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -57.8 | -31.7 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 302 | K | 97.5 | Very high | 95.8 | Very high | 155 Ų | 155 | 63.5 Ų | 63.5 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | trans | -132.6 | 128.7 | 169.5 | -65.2 | -175.9 | 179.9 | -178.7 | 0 | 108.7 | P300 V324 | P300-K302 WeakPolarHBondContact CG-O 3.48Å; P300-K302 PolarHBondContact O-N 3.32Å; K302-V324 VanDerWaalsContact O-CB 3.25Å; K302-V324 WeakPolarHBondContact O-CB 3.43Å; K302-V324 WeakPolarHBondContact O-CG1 3.27Å | ||
| 303 | R | 96.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 19% | 0.185 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -87.5 | -9.9 | -179.6 | -67.3 | -174.4 | 67.8 | -174.7 | 1.1 | 114.6 | N233 D248 R250 Y299 P300 G323 V324 | N233-R303 PolarHBondContact O-NH2 3.07Å; N233-R303 VanDerWaalsContact OD1-CZ 3.28Å; N233-R303 PolarHBondContact OD1-NH1 3.35Å; N233-R303 PolarHBondContact OD1-NH2 2.77Å; D248-R303 IonicContact OD1-CZ 3.49Å; D248-R303 IonicContact OD1-NE 3.34Å; D248-R303 IonicContact OD1-NH2 3.42Å; D248-R303 PolarHBondContact OD1-NH2 3.34Å; D248-R303 IonicContact OD2-CZ 3.6Å; D248-R303 IonicContact OD2-NE 3.71Å; D248-R303 PolarHBondContact OD2-NE 2.88Å; D248-R303 IonicContact OD2-NH2 2.8Å; D248-R303 PolarHBondContact OD2-NH2 2.99Å; R250-R303 VanDerWaalsContact CG-CZ 3.47Å; Y299-R303 HydrophobicContact CD1-CG 4.23Å; P300-R303 HydrophobicContact CG-CG 4.08Å; R303-G323 CarbonylContact O-C 3.53Å; R303-G323 WeakPolarHBondContact O-CA 3.39Å; R303-V324 PolarHBondContact O-N 3.26Å |
| 304 | Q | 97.7 | Very high | 94.8 | Very high | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 149.3 | 175.2 | 67.9 | 179.2 | 1.4 | 0 | 0 | 109.9 | Q322 | Q304-Q322 CarbonylContact C-O 3.51Å; Q304-Q322 VanDerWaalsContact CA-O 3.29Å; Q304-Q322 WeakPolarHBondContact CA-O 3.33Å |
| 305 | K | 97.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 79.7 Ų | 79.7 | 47% | 0.47 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 151.6 | 168.4 | 62.2 | 177.8 | -177.4 | 175.5 | 0 | 109 | V307 Q322 V324 | K305-V307 HydrophobicContact CD-CG1 4.28Å; K305-V307 HydrophobicContact CG-CG1 4.3Å; K305-Q322 HydrophobicContact CG-CB 4.29Å; K305-Q322 PolarHBondContact N-O 3.31Å; K305-Q322 PolarHBondContact O-N 3.3Å; K305-V324 HydrophobicContact CB-CG2 4.31Å; K305-V324 HydrophobicContact CD-CG2 4.27Å; K305-V324 HydrophobicContact CG-CG2 4Å |
| 306 | I | 97.4 | Very high | 94 | Very high | 107 Ų | 107 | 81.4 Ų | 81.4 | 55% | 0.549 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.4 | 170.5 | -61.2 | 174.5 | 0 | 0 | 0 | 107.1 | E319 | I306-E319 HydrophobicContact CG2-CB 3.6Å; I306-E319 HydrophobicContact CG2-CG 3.78Å |
| 307 | V | 95.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 86.2 Ų | 86.2 | 16% | 0.158 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.2 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | K305 E309 V320 Q322 | K305-V307 HydrophobicContact CD-CG1 4.28Å; K305-V307 HydrophobicContact CG-CG1 4.3Å; V307-E309 HydrophobicContact CB-CG 4.46Å; V307-E309 HydrophobicContact CG2-CG 4.01Å; V307-V320 HydrophobicContact CG2-CB 4.32Å; V307-V320 WeakPolarHBondContact CG2-O 3.45Å; V307-V320 PolarHBondContact N-O 3.12Å; V307-V320 PolarHBondContact O-N 2.83Å; V307-Q322 HydrophobicContact CG1-CB 4.48Å; V307-Q322 HydrophobicContact CG2-CB 4.25Å |
| 308 | R | 94.5 | Very high | 93.5 | Very high | 182 Ų | 182 | 89.3 Ų | 89.3 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.1 | 170.9 | -71.9 | -178.2 | 179.7 | 178.4 | -1.9 | 108.4 | I318 E319 | R308-I318 WeakPolarHBondContact CA-O 3.3Å; R308-E319 HydrophobicContact CG-CG 3.92Å; R308-E319 IonicContact CZ-OE1 3.47Å; R308-E319 IonicContact NE-OE1 3.08Å; R308-E319 PolarHBondContact NE-OE1 2.81Å; R308-E319 VanDerWaalsContact NE-OE1 3.08Å; R308-E319 IonicContact NH2-OE1 2.93Å; R308-E319 PolarHBondContact NH2-OE1 3.09Å |
| 309 | E | 92.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 92.1 Ų | 92.1 | 23% | 0.234 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.5 | 179.5 | -59.1 | -168.2 | 172.8 | 0 | 0 | 109 | H253 K256 V307 D311 D317 I318 | H253-E309 IonicContact CE1-OE2 3.98Å; H253-E309 PolarHBondContact CE1-OE2 2.81Å; H253-E309 IonicContact NE2-OE1 2.65Å; H253-E309 PolarHBondContact NE2-OE1 2.89Å; H253-E309 IonicContact NE2-OE2 3.09Å; H253-E309 PolarHBondContact NE2-OE2 3.18Å; K256-E309 IonicContact NZ-OE1 2.65Å; K256-E309 PolarHBondContact NZ-OE1 3.35Å; V307-E309 HydrophobicContact CB-CG 4.46Å; V307-E309 HydrophobicContact CG2-CG 4.01Å; E309-D311 PolarHBondContact O-N 2.82Å; E309-D317 WeakPolarHBondContact O-CA 3.37Å; E309-I318 PolarHBondContact N-O 3.23Å; E309-I318 WeakPolarHBondContact O-CG1 3.49Å; E309-I318 PolarHBondContact O-N 3.04Å |
| 310 | A | 90.9 | Very high | 93.2 | Very high | 75 Ų | 75 | 90 Ų | 90 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 132.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 311 | D | 87.8 | Confident | 93.2 | Very high | 29 Ų | 29 | 91.2 Ų | 91.2 | 16% | 0.155 | 50% | 0.5 | C | S | . | . | trans | -59.1 | 126.7 | 173.3 | -173.1 | -5.6 | 0 | 0 | 0 | 109.8 | E309 E313 G314 N315 G316 I318 | E309-D311 PolarHBondContact O-N 2.82Å; D311-E313 PolarHBondContact O-N 2.79Å; D311-E313 VanDerWaalsContact O-N 3.12Å; D311-E313 PolarHBondContact OD1-N 3.3Å; D311-G314 PolarHBondContact O-N 2.98Å; D311-N315 VanDerWaalsContact OD2-CB 3.28Å; D311-N315 WeakPolarHBondContact OD2-CB 3.46Å; D311-N315 PolarHBondContact OD2-ND2 2.9Å; D311-G316 VanDerWaalsContact CB-O 3.22Å; D311-G316 WeakPolarHBondContact CB-O 3.44Å; D311-G316 PolarHBondContact N-O 2.84Å; D311-I318 HydrophobicContact CB-CG1 4.44Å; D311-I318 HydrophobicContact CB-CG2 3.89Å | ||
| 312 | P | 84 | Confident | 93.2 | Very high | 125 Ų | 125 | 86.8 Ų | 86.8 | 81% | 0.812 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -28 | 171 | -27.8 | 35.4 | 0 | 0 | 0 | 114.7 | G314 | P312-G314 VanDerWaalsContact C-N 3.33Š|
| 313 | E | 87.2 | Confident | 93.2 | Very high | 161 Ų | 161 | 79.6 Ų | 79.6 | 75% | 0.752 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5 | 177.4 | -65.9 | -178.1 | -173.8 | 0 | 0 | 113.5 | D311 N315 | D311-E313 PolarHBondContact O-N 2.79Å; D311-E313 VanDerWaalsContact O-N 3.12Å; D311-E313 PolarHBondContact OD1-N 3.3Å; E313-N315 WeakPolarHBondContact CB-ND2 3.4Å; E313-N315 PolarHBondContact OE2-ND2 3.44Å |
| 314 | G | 86.6 | Confident | 93.3 | Very high | 63 Ų | 63 | 79.2 Ų | 79.2 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 81.5 | 12.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | D311 P312 G316 | D311-G314 PolarHBondContact O-N 2.98Å; P312-G314 VanDerWaalsContact C-N 3.33Å; G314-G316 PolarHBondContact O-N 3.16Å; G314-G316 VanDerWaalsContact O-N 3.17Å |
| 315 | N | 88.8 | Confident | 93.3 | Very high | 120 Ų | 120 | 75.6 Ų | 75.6 | 64% | 0.642 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -79.6 | 14.7 | -178.9 | -51.6 | -58 | 0 | 0 | 0 | 114.6 | D311 E313 | D311-N315 VanDerWaalsContact OD2-CB 3.28Å; D311-N315 WeakPolarHBondContact OD2-CB 3.46Å; D311-N315 PolarHBondContact OD2-ND2 2.9Å; E313-N315 WeakPolarHBondContact CB-ND2 3.4Å; E313-N315 PolarHBondContact OE2-ND2 3.44Å |
| 316 | G | 91.2 | Very high | 93.4 | Very high | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 109.6 | -159.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D311 G314 | D311-G316 VanDerWaalsContact CB-O 3.22Å; D311-G316 WeakPolarHBondContact CB-O 3.44Å; D311-G316 PolarHBondContact N-O 2.84Å; G314-G316 PolarHBondContact O-N 3.16Å; G314-G316 VanDerWaalsContact O-N 3.17Å |
| 317 | D | 92 | Very high | 93.4 | Very high | 122 Ų | 122 | 70.9 Ų | 70.9 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.5 | 175.9 | -73.5 | -16.9 | 0 | 0 | 0 | 110.8 | E309 | E309-D317 WeakPolarHBondContact O-CA 3.37Å |
| 318 | I | 92.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 70.5 Ų | 70.5 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151 | 172.6 | 55.5 | 165.3 | 0 | 0 | 0 | 110.9 | R308 E309 D311 V320 | R308-I318 WeakPolarHBondContact CA-O 3.3Å; E309-I318 PolarHBondContact N-O 3.23Å; E309-I318 WeakPolarHBondContact O-CG1 3.49Å; E309-I318 PolarHBondContact O-N 3.04Å; D311-I318 HydrophobicContact CB-CG1 4.44Å; D311-I318 HydrophobicContact CB-CG2 3.89Å; I318-V320 HydrophobicContact CD1-CG2 3.74Å; I318-V320 HydrophobicContact CG1-CG2 3.9Å |
| 319 | E | 94.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.3 | 173.2 | -75.3 | -171.1 | 177.1 | 0 | 0 | 110.1 | I306 R308 | I306-E319 HydrophobicContact CG2-CB 3.6Å; I306-E319 HydrophobicContact CG2-CG 3.78Å; R308-E319 HydrophobicContact CG-CG 3.92Å; R308-E319 IonicContact CZ-OE1 3.47Å; R308-E319 IonicContact NE-OE1 3.08Å; R308-E319 PolarHBondContact NE-OE1 2.81Å; R308-E319 VanDerWaalsContact NE-OE1 3.08Å; R308-E319 IonicContact NH2-OE1 2.93Å; R308-E319 PolarHBondContact NH2-OE1 3.09Å |
| 320 | V | 96.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.8 | -178.1 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | P254 V307 I318 | P254-V320 HydrophobicContact CG-CG1 4.21Å; V307-V320 HydrophobicContact CG2-CB 4.32Å; V307-V320 WeakPolarHBondContact CG2-O 3.45Å; V307-V320 PolarHBondContact N-O 3.12Å; V307-V320 PolarHBondContact O-N 2.83Å; I318-V320 HydrophobicContact CD1-CG2 3.74Å; I318-V320 HydrophobicContact CG1-CG2 3.9Å |
| 321 | S | 97.4 | Very high | 94 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.1 | 174.4 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 322 | Q | 97.7 | Very high | 94.4 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.4 | 175.5 | -166 | -176.4 | 9.3 | 0 | 0 | 110.2 | H253 Q304 K305 V307 | H253-Q322 HydrophobicContact CB-CG 4.48Å; Q304-Q322 CarbonylContact C-O 3.51Å; Q304-Q322 VanDerWaalsContact CA-O 3.29Å; Q304-Q322 WeakPolarHBondContact CA-O 3.33Å; K305-Q322 HydrophobicContact CG-CB 4.29Å; K305-Q322 PolarHBondContact N-O 3.31Å; K305-Q322 PolarHBondContact O-N 3.3Å; V307-Q322 HydrophobicContact CG1-CB 4.48Å; V307-Q322 HydrophobicContact CG2-CB 4.25Å |
| 323 | G | 98.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 61 Ų | 61 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 156.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A259 R303 | A259-G323 VanDerWaalsContact CB-C 3.43Å; A259-G323 WeakPolarHBondContact CB-O 3.35Å; R303-G323 CarbonylContact O-C 3.53Å; R303-G323 WeakPolarHBondContact O-CA 3.39Å |
| 324 | V | 98.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | trans | -125.3 | 122.1 | 171.7 | -177.6 | 0 | 0 | 0 | 0 | 106.8 | P300 K302 R303 K305 | P300-V324 HydrophobicContact CB-CG1 3.83Å; P300-V324 HydrophobicContact CG-CB 4.15Å; P300-V324 HydrophobicContact CG-CG1 3.87Å; P300-V324 WeakPolarHBondContact CG-O 3.37Å; K302-V324 VanDerWaalsContact O-CB 3.25Å; K302-V324 WeakPolarHBondContact O-CB 3.43Å; K302-V324 WeakPolarHBondContact O-CG1 3.27Å; R303-V324 PolarHBondContact O-N 3.26Å; K305-V324 HydrophobicContact CB-CG2 4.31Å; K305-V324 HydrophobicContact CD-CG2 4.27Å; K305-V324 HydrophobicContact CG-CG2 4Å | ||
| 325 | I | 98.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | trans | -79.6 | 150.4 | 177.9 | -168 | 67.5 | 0 | 0 | 0 | 110.4 | V246 D248 A259 L261 Y297 | V246-I325 HydrophobicContact CG1-CD1 4.43Å; D248-I325 HydrophobicContact CB-CD1 4Å; A259-I325 HydrophobicContact CB-CB 4.18Å; L261-I325 HydrophobicContact CB-CG1 3.88Å; L261-I325 HydrophobicContact CB-CG2 4.41Å; L261-I325 HydrophobicContact CD2-CD1 4.4Å; L261-I325 HydrophobicContact CD2-CG1 3.74Å; L261-I325 HydrophobicContact CG-CD1 4.4Å; L261-I325 HydrophobicContact CG-CG1 3.84Å; Y297-I325 HydrophobicContact CE2-CD1 3.99Å; Y297-I325 HydrophobicContact CE2-CG1 4.49Å | ||
| 326 | G | 98.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | trans | -80.4 | -149.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L261 Y297 H298 | L261-G326 WeakPolarHBondContact CD2-O 3.31Å; Y297-G326 WeakPolarHBondContact OH-CA 3.41Å; Y297-G326 PolarHBondContact OH-N 3.34Å; H298-G326 CarbonylContact O-C 3.58Å; H298-G326 WeakPolarHBondContact O-CA 3.26Å | ||
| 327 | H | 98.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164 | 171.5 | 64.9 | -80.9 | 0 | 0 | 0 | 111.1 | H298 | H298-H327 VanDerWaalsContact CB-CE1 3.41Å; H298-H327 WeakPolarHBondContact CB-CE1 3.26Å; H298-H327 AromaticContact CD2-CD2 3.89Å; H298-H327 AromaticContact CD2-NE2 3.49Å; H298-H327 PolarHBondContact CD2-NE2 2.86Å; H298-H327 AromaticContact CG-CE1 3.95Å; H298-H327 AromaticContact CG-NE2 3.76Å; H298-H327 PolarHBondContact N-O 2.83Å; H298-H327 PolarHBondContact O-N 3.29Å; H298-H327 VanDerWaalsContact O-N 3.1Å |
| 328 | L | 98.1 | Very high | 96.7 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 146.2 | 174.1 | -67.2 | -177.7 | 0 | 0 | 0 | 111.2 | I244 V246 L261 E263 F283 W295 Q296 Y297 | I244-L328 HydrophobicContact CG2-CD1 4.45Å; V246-L328 HydrophobicContact CG2-CD1 3.82Å; V246-L328 HydrophobicContact CG2-CD2 4.35Å; V246-L328 HydrophobicContact CG2-CG 4.33Å; L261-L328 HydrophobicContact CD1-CD1 3.99Å; L261-L328 HydrophobicContact CD1-CG 4.08Å; L261-L328 HydrophobicContact CD2-CG 4.3Å; E263-L328 HydrophobicContact CB-CD1 4.1Å; E263-L328 HydrophobicContact CG-CD1 4.38Å; F283-L328 HydrophobicContact CE1-CD2 3.72Å; F283-L328 HydrophobicContact CZ-CD1 3.93Å; F283-L328 HydrophobicContact CZ-CD2 3.84Å; W295-L328 HydrophobicContact CE3-CB 4.15Å; W295-L328 HydrophobicContact CE3-CD1 4.36Å; Q296-L328 WeakPolarHBondContact O-CA 3.38Å; Y297-L328 HydrophobicContact CD2-CD2 3.86Å; Y297-L328 HydrophobicContact CG-CD2 4.38Å |
| 329 | T | 96 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.7 | 166.1 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | W295 Q296 H298 L331 | W295-T329 WeakPolarHBondContact CA-O 3.45Å; Q296-T329 PolarHBondContact N-O 2.64Å; Q296-T329 PolarHBondContact O-N 2.72Å; H298-T329 PolarHBondContact CD2-OG1 3.14Å; H298-T329 VanDerWaalsContact CD2-OG1 3.3Å; H298-T329 PolarHBondContact NE2-OG1 3.4Å; H298-T329 VanDerWaalsContact NE2-OG1 3.12Å; T329-L331 HydrophobicContact CG2-CD2 4.35Å; T329-L331 PolarHBondContact O-N 2.72Å |
| 330 | Q | 95.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 110.3 | 168.6 | -165.6 | 179.4 | -58.6 | 0 | 0 | 109.1 | L294 W295 N333 | L294-Q330 CarbonylContact O-C 3.59Å; W295-Q330 HydrophobicContact CD2-CB 4.41Å; W295-Q330 HydrophobicContact CD2-CG 4.41Å; W295-Q330 HydrophobicContact CE3-CB 3.83Å; W295-Q330 HydrophobicContact CE3-CG 4.31Å; W295-Q330 HydrophobicContact CH2-CB 3.88Å; W295-Q330 HydrophobicContact CH2-CG 4.05Å; W295-Q330 VanDerWaalsContact CH2-OE1 3.24Å; W295-Q330 HydrophobicContact CZ2-CB 4.44Å; W295-Q330 HydrophobicContact CZ2-CG 4.14Å; W295-Q330 HydrophobicContact CZ3-CB 3.56Å; W295-Q330 HydrophobicContact CZ3-CG 4.15Å; Q330-N333 PolarHBondContact NE2-OD1 3.22Å |
| 331 | L | 95.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -40 | -179.6 | -64 | -173.4 | 0 | 0 | 0 | 111.9 | P4 I282 L294 Q296 T329 F374 | P4-L331 HydrophobicContact CG-CB 4.21Å; P4-L331 HydrophobicContact CG-CD1 4.33Å; I282-L331 HydrophobicContact CD1-CD1 4.47Å; L294-L331 HydrophobicContact CD2-CB 4.08Å; L294-L331 HydrophobicContact CD2-CD1 4.18Å; L294-L331 HydrophobicContact CG-CB 4.3Å; L294-L331 HydrophobicContact CG-CD1 4.43Å; L294-L331 PolarHBondContact O-N 3.2Å; Q296-L331 HydrophobicContact CB-CD1 3.91Å; Q296-L331 HydrophobicContact CB-CD2 4.01Å; Q296-L331 HydrophobicContact CB-CG 3.91Å; T329-L331 HydrophobicContact CG2-CD2 4.35Å; T329-L331 PolarHBondContact O-N 2.72Å; L331-F374 HydrophobicContact CD1-CD1 4.1Å; L331-F374 HydrophobicContact CD1-CD2 4.41Å; L331-F374 HydrophobicContact CD1-CE1 4.33Å; L331-F374 HydrophobicContact CD1-CG 4.14Å; L331-F374 HydrophobicContact CD2-CD1 4Å; L331-F374 HydrophobicContact CD2-CE1 3.74Å; L331-F374 HydrophobicContact CD2-CZ 4.38Å |
| 332 | Q | 95.5 | Very high | 97.2 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 158.2 | -178 | -172.9 | 57.4 | -72.1 | 0 | 0 | 111.3 | P4 M6 L294 | P4-Q332 HydrophobicContact CB-CB 4.48Å; P4-Q332 WeakPolarHBondContact O-CG 3.49Å; P4-Q332 PolarHBondContact O-NE2 2.69Å; M6-Q332 HydrophobicContact CB-CG 4.47Å; M6-Q332 HydrophobicContact CG-CB 4.37Å; M6-Q332 HydrophobicContact CG-CG 3.84Å; M6-Q332 HydrophobicContact SD-CB 3.92Å; M6-Q332 HydrophobicContact SD-CG 3.68Å; L294-Q332 HydrophobicContact CB-CB 4.37Å; L294-Q332 PolarHBondContact N-O 2.83Å; L294-Q332 PolarHBondContact O-N 2.77Å |
| 333 | N | 95.4 | Very high | 97.3 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.8 | 164.8 | 65.4 | -61 | 0 | 0 | 0 | 111.6 | L292 C293 Q330 | L292-N333 CarbonylContact O-C 3.51Å; L292-N333 VanDerWaalsContact O-CA 3.25Å; L292-N333 WeakPolarHBondContact O-CA 3.45Å; C293-N333 HydrophobicContact CB-CB 4.45Å; Q330-N333 PolarHBondContact NE2-OD1 3.22Å |
| 334 | V | 96.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 144.7 | 173.9 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | M6 S291 L292 L336 | M6-V334 HydrophobicContact CB-CB 4.28Å; M6-V334 HydrophobicContact CB-CG1 3.85Å; M6-V334 HydrophobicContact CE-CG1 3.51Å; M6-V334 HydrophobicContact SD-CG1 4.13Å; S291-V334 CarbonylContact C-O 3.26Å; S291-V334 WeakPolarHBondContact CA-O 3.37Å; S291-V334 WeakPolarHBondContact CB-O 3.21Å; L292-V334 HydrophobicContact CB-CG1 4.21Å; L292-V334 PolarHBondContact N-O 2.82Å; L292-V334 PolarHBondContact O-N 2.74Å; V334-L336 HydrophobicContact CG1-CD1 4.16Å; V334-L336 HydrophobicContact CG1-CD2 4.19Å; V334-L336 HydrophobicContact CG1-CG 3.93Å; V334-L336 HydrophobicContact CG2-CD2 3.69Å; V334-L336 HydrophobicContact CG2-CG 4.16Å |
| 335 | T | 96.7 | Very high | 97.3 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 56% | 0.558 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.5 | 169.7 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | S337 | T335-S337 WeakPolarHBondContact CG2-O 3.16Å |
| 336 | L | 96.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.199 | 22% | 0.221 | C | C | . | . | trans | -112.7 | -14.4 | -175.9 | -62.6 | 175.5 | 0 | 0 | 0 | 113.3 | G290 L292 V334 I341 R364 L366 | G290-L336 PolarHBondContact O-N 3.01Å; L292-L336 HydrophobicContact CD1-CD1 3.83Å; L292-L336 HydrophobicContact CG-CD1 4.49Å; V334-L336 HydrophobicContact CG1-CD1 4.16Å; V334-L336 HydrophobicContact CG1-CD2 4.19Å; V334-L336 HydrophobicContact CG1-CG 3.93Å; V334-L336 HydrophobicContact CG2-CD2 3.69Å; V334-L336 HydrophobicContact CG2-CG 4.16Å; L336-I341 HydrophobicContact CB-CD1 4.32Å; L336-R364 PolarHBondContact O-NE 2.91Å; L336-R364 VanDerWaalsContact O-NE 3.14Å; L336-R364 PolarHBondContact O-NH2 2.99Å; L336-L366 HydrophobicContact CD1-CD1 4.09Å | ||
| 337 | S | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | trans | -138.4 | 154.7 | -178.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | G290 T335 Q339 D360 | G290-S337 WeakPolarHBondContact CA-O 3.44Å; G290-S337 PolarHBondContact O-N 3.04Å; T335-S337 WeakPolarHBondContact CG2-O 3.16Å; S337-Q339 VanDerWaalsContact C-N 3.32Å; S337-Q339 VanDerWaalsContact CB-O 3.3Å; S337-Q339 WeakPolarHBondContact CB-O 3.41Å; S337-Q339 PolarHBondContact OG-N 2.83Å; S337-Q339 PolarHBondContact OG-O 2.9Å; S337-D360 WeakPolarHBondContact CB-OD2 3.42Å; S337-D360 PolarHBondContact OG-OD2 3.34Å | ||
| 338 | N | 96.1 | Very high | 97.1 | Very high | 133 Ų | 133 | 38.7 Ų | 38.7 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -89.9 | -1.3 | 166.3 | 63.6 | -16.4 | 0 | 0 | 0 | 112.3 | ||
| 339 | Q | 98.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 40% | 0.402 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -120.1 | 162.1 | 175.8 | -66.9 | -61.9 | -32.4 | 0 | 0 | 109.9 | G290 S337 I341 F359 D360 | G290-Q339 WeakPolarHBondContact CA-O 3.48Å; G290-Q339 PolarHBondContact N-O 3.05Å; S337-Q339 VanDerWaalsContact C-N 3.32Å; S337-Q339 VanDerWaalsContact CB-O 3.3Å; S337-Q339 WeakPolarHBondContact CB-O 3.41Å; S337-Q339 PolarHBondContact OG-N 2.83Å; S337-Q339 PolarHBondContact OG-O 2.9Å; Q339-I341 PolarHBondContact O-N 3.12Å; Q339-F359 HydrophobicContact CB-CB 4.27Å; Q339-D360 HydrophobicContact CB-CB 3.9Å; Q339-D360 HydrophobicContact CG-CB 3.82Å |
| 340 | P | 98.6 | Very high | 96.8 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | trans | -52.6 | 131 | 176.7 | -29 | 35 | 0 | 0 | 0 | 113.4 | G288 A358 F359 | G288-P340 WeakPolarHBondContact O-CG 3.07Å; P340-A358 CarbonylContact O-C 3.54Å; P340-A358 WeakPolarHBondContact O-CA 3.34Å; P340-A358 VanDerWaalsContact O-CB 3.23Å; P340-A358 WeakPolarHBondContact O-CB 3.48Å; P340-F359 HydrophobicContact CB-CD2 3.72Å; P340-F359 HydrophobicContact CB-CE2 4.19Å; P340-F359 HydrophobicContact CG-CD2 3.96Å; P340-F359 PolarHBondContact O-N 3.14Å | ||
| 341 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.8 | 162.1 | -61.9 | 170.3 | 0 | 0 | 0 | 106.5 | A286 G287 G290 L292 L336 Q339 C356 V357 A358 | A286-I341 HydrophobicContact CB-CB 4.18Å; A286-I341 HydrophobicContact CB-CG2 3.85Å; A286-I341 WeakPolarHBondContact CB-O 3.07Å; G287-I341 PolarHBondContact O-N 2.89Å; G287-I341 VanDerWaalsContact O-N 3.15Å; G290-I341 VanDerWaalsContact O-CD1 3.25Å; G290-I341 WeakPolarHBondContact O-CD1 3.33Å; L292-I341 HydrophobicContact CD1-CD1 4.42Å; L292-I341 HydrophobicContact CD2-CB 4.47Å; L292-I341 HydrophobicContact CD2-CD1 3.87Å; L292-I341 HydrophobicContact CD2-CG2 3.96Å; L292-I341 HydrophobicContact CG-CD1 3.7Å; L336-I341 HydrophobicContact CB-CD1 4.32Å; Q339-I341 PolarHBondContact O-N 3.12Å; I341-C356 HydrophobicContact CG2-CB 4.04Å; I341-V357 WeakPolarHBondContact CG2-O 3.46Å; I341-A358 HydrophobicContact CB-CB 4.47Å; I341-A358 HydrophobicContact CG1-CB 4.01Å |
| 342 | C | 97.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -24.1 | -170.3 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | L18 V357 F359 | L18-C342 PolarHBondContact O-SG 2.95Å; L18-C342 VanDerWaalsContact O-SG 3.41Å; C342-V357 PolarHBondContact N-O 2.88Å; C342-V357 PolarHBondContact SG-O 3.3Å; C342-F359 HydrophobicContact CB-CD1 4.44Å; C342-F359 HydrophobicContact CB-CE1 3.86Å; C342-F359 HydrophobicContact CB-CE2 3.92Å; C342-F359 HydrophobicContact CB-CZ 3.55Å |
| 343 | S | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 147.9 | 173 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | D20 Q272 C356 V357 | D20-S343 WeakPolarHBondContact OD1-CB 3.43Å; D20-S343 PolarHBondContact OD1-OG 2.89Å; Q272-S343 PolarHBondContact NE2-OG 2.89Å; Q272-S343 PolarHBondContact OE1-OG 2.91Å; S343-C356 CarbonylContact O-C 3.57Å; S343-C356 WeakPolarHBondContact O-CA 3.43Å; S343-C356 VanDerWaalsContact O-CB 3.24Å; S343-C356 WeakPolarHBondContact O-CB 3.46Å; S343-V357 PolarHBondContact N-O 3.1Å; S343-V357 PolarHBondContact O-N 3.28Å |
| 344 | I | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.2 | 173.6 | -176.8 | 173.4 | 0 | 0 | 0 | 109.5 | Q272 M284 A286 L292 A354 V355 C356 L366 | Q272-I344 PolarHBondContact OE1-O 3.19Å; M284-I344 HydrophobicContact CB-CD1 4.13Å; M284-I344 HydrophobicContact CG-CD1 3.78Å; A286-I344 HydrophobicContact CB-CG2 4.4Å; L292-I344 HydrophobicContact CD1-CD1 4.11Å; L292-I344 HydrophobicContact CD2-CD1 4.25Å; I344-A354 HydrophobicContact CD1-CB 4.17Å; I344-A354 HydrophobicContact CG1-CB 4.12Å; I344-V355 CarbonylContact C-O 3.57Å; I344-V355 VanDerWaalsContact CA-O 3.27Å; I344-V355 WeakPolarHBondContact CA-O 3.32Å; I344-V355 WeakPolarHBondContact CG1-O 3.2Å; I344-C356 HydrophobicContact CB-CB 3.89Å; I344-C356 HydrophobicContact CG1-CB 4.02Å; I344-L366 HydrophobicContact CD1-CD2 4.26Å |
| 345 | D | 98.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.7 | 172.9 | -167.4 | 40.6 | 0 | 0 | 0 | 111.4 | C21 K22 W23 A354 V355 | C21-D345 WeakPolarHBondContact O-CB 3.41Å; K22-D345 VanDerWaalsContact CA-OD2 3.31Å; K22-D345 WeakPolarHBondContact CA-OD2 3.49Å; K22-D345 HydrophobicContact CD-CB 4.3Å; W23-D345 PolarHBondContact N-OD2 2.64Å; W23-D345 PolarHBondContact NE1-O 2.9Å; D345-A354 CarbonylContact O-C 3.59Å; D345-A354 WeakPolarHBondContact O-CA 3.34Å; D345-A354 WeakPolarHBondContact O-CB 3.14Å; D345-V355 HydrophobicContact CB-CG1 4.13Å; D345-V355 PolarHBondContact N-O 2.89Å; D345-V355 PolarHBondContact O-N 3.46Å |
| 346 | W | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140 | 176.8 | -69.9 | 110.1 | 0 | 0 | 0 | 110.3 | W23 S274 H275 L276 P277 M284 L294 P348 A354 V368 | W23-W346 VanDerWaalsContact CD1-C 3.41Å; S274-W346 PolarHBondContact O-NE1 3.39Å; S274-W346 VanDerWaalsContact OG-CD1 3.28Å; H275-W346 VanDerWaalsContact O-CD1 3.22Å; L276-W346 HydrophobicContact CD1-CD2 3.7Å; L276-W346 HydrophobicContact CD1-CE3 3.69Å; L276-W346 HydrophobicContact CD1-CG 4.15Å; L276-W346 HydrophobicContact CD1-CH2 4.3Å; L276-W346 HydrophobicContact CD1-CZ2 4.26Å; L276-W346 HydrophobicContact CD1-CZ3 4.05Å; P277-W346 VanDerWaalsContact CD-CB 3.45Å; P277-W346 HydrophobicContact CG-CB 3.93Å; M284-W346 HydrophobicContact CB-CZ2 3.86Å; M284-W346 HydrophobicContact CE-CH2 3.49Å; M284-W346 VanDerWaalsContact CE-CH2 3.49Å; M284-W346 HydrophobicContact CE-CZ2 3.53Å; L294-W346 HydrophobicContact CD1-CH2 4.45Å; L294-W346 HydrophobicContact CD1-CZ2 4.22Å; W346-P348 VanDerWaalsContact O-CD 3.29Å; W346-P348 WeakPolarHBondContact O-CD 3.41Å; W346-A354 HydrophobicContact CD2-CB 4.11Å; W346-A354 HydrophobicContact CE3-CB 3.58Å; W346-A354 HydrophobicContact CZ3-CB 3.94Å; W346-V368 HydrophobicContact CH2-CB 4.19Å; W346-V368 HydrophobicContact CH2-CG2 3.73Å; W346-V368 HydrophobicContact CZ3-CB 4.29Å; W346-V368 HydrophobicContact CZ3-CG2 3.93Å |
| 347 | C | 97.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | trans | -70.1 | 118.6 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | W23 Q278 D349 K350 L353 | W23-C347 HydrophobicContact CD2-CB 4.15Å; W23-C347 HydrophobicContact CG-CB 4.34Å; W23-C347 HydrophobicContact CZ2-CB 4.31Å; Q278-C347 PolarHBondContact NE2-O 3.37Å; C347-D349 PolarHBondContact O-N 3.49Å; C347-K350 HydrophobicContact CB-CB 4.23Å; C347-L353 HydrophobicContact CB-CB 3.9Å; C347-L353 HydrophobicContact CB-CD2 4.04Å; C347-L353 HydrophobicContact CB-CG 4.06Å; C347-L353 WeakPolarHBondContact CB-O 3.35Å; C347-L353 PolarHBondContact N-O 3.26Å | ||
| 348 | P | 93.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -66.7 | -27.8 | 178.7 | 26.9 | -33.7 | 0 | 0 | 0 | 112.1 | P277 Q278 W346 | P277-P348 HydrophobicContact CB-CB 4.45Å; P277-P348 HydrophobicContact CG-CB 4.48Å; Q278-P348 VanDerWaalsContact NE2-C 3.33Å; Q278-P348 PolarHBondContact NE2-O 2.82Å; W346-P348 VanDerWaalsContact O-CD 3.29Å; W346-P348 WeakPolarHBondContact O-CD 3.41Å |
| 349 | D | 93.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 30.5 Ų | 30.5 | 46% | 0.455 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -90.7 | -14.8 | -174.7 | -57 | -57.2 | 0 | 0 | 0 | 113.6 | V26 C347 | V26-D349 WeakPolarHBondContact CA-OD2 3.38Å; V26-D349 PolarHBondContact N-OD2 3.05Å; C347-D349 PolarHBondContact O-N 3.49Å |
| 350 | K | 95 | Very high | 97.7 | Very high | 135 Ų | 135 | 28.3 Ų | 28.3 | 59% | 0.587 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -134.1 | 109 | -176.4 | -64.1 | -64.3 | 179.1 | -170.8 | 0 | 111.6 | C347 G352 L353 | C347-K350 HydrophobicContact CB-CB 4.23Å; K350-G352 PolarHBondContact O-N 2.94Å; K350-L353 HydrophobicContact CB-CB 3.91Å; K350-L353 HydrophobicContact CB-CD2 4.08Å; K350-L353 HydrophobicContact CG-CD2 4.4Å; K350-L353 PolarHBondContact O-N 2.76Å |
| 351 | L | 96.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.7 | 176.9 | 178.6 | 65.1 | 0 | 0 | 0 | 111.1 | L276 Q278 L353 L371 N372 | L276-L351 HydrophobicContact CD1-CD1 4.27Å; L276-L351 HydrophobicContact CD2-CD1 3.79Å; L276-L351 HydrophobicContact CG-CD1 4.32Å; Q278-L351 HydrophobicContact CB-CD1 4.11Å; Q278-L351 HydrophobicContact CG-CD1 4.44Å; L351-L353 VanDerWaalsContact C-N 3.3Å; L351-L353 PolarHBondContact O-N 3.46Å; L351-L371 HydrophobicContact CD1-CB 4.04Å; L351-L371 HydrophobicContact CD1-CD1 3.96Å; L351-L371 HydrophobicContact CD2-CB 4.29Å; L351-L371 HydrophobicContact CG-CB 4.24Å; L351-L371 HydrophobicContact CG-CD1 4.29Å; L351-N372 HydrophobicContact CD2-CB 4.49Å |
| 352 | G | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -3.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K350 I367 V368 L371 | K350-G352 PolarHBondContact O-N 2.94Å; G352-I367 CarbonylContact O-C 3.57Å; G352-I367 WeakPolarHBondContact O-CA 3.25Å; G352-V368 WeakPolarHBondContact CA-O 3.28Å; G352-V368 PolarHBondContact O-N 3.36Å; G352-L371 VanDerWaalsContact CA-CD1 3.49Å |
| 353 | L | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130 | 172.1 | -178.1 | 65.5 | 0 | 0 | 0 | 109.5 | W23 C347 K350 L351 I365 I367 | W23-L353 HydrophobicContact CH2-CD2 3.75Å; W23-L353 HydrophobicContact CH2-CG 4.06Å; W23-L353 HydrophobicContact CZ2-CD1 4.42Å; W23-L353 HydrophobicContact CZ2-CD2 3.95Å; W23-L353 HydrophobicContact CZ2-CG 3.78Å; C347-L353 HydrophobicContact CB-CB 3.9Å; C347-L353 HydrophobicContact CB-CD2 4.04Å; C347-L353 HydrophobicContact CB-CG 4.06Å; C347-L353 WeakPolarHBondContact CB-O 3.35Å; C347-L353 PolarHBondContact N-O 3.26Å; K350-L353 HydrophobicContact CB-CB 3.91Å; K350-L353 HydrophobicContact CB-CD2 4.08Å; K350-L353 HydrophobicContact CG-CD2 4.4Å; K350-L353 PolarHBondContact O-N 2.76Å; L351-L353 VanDerWaalsContact C-N 3.3Å; L351-L353 PolarHBondContact O-N 3.46Å; L353-I365 HydrophobicContact CD1-CG2 3.6Å; L353-I367 HydrophobicContact CD1-CG1 4.34Å |
| 354 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I344 D345 W346 L366 | I344-A354 HydrophobicContact CD1-CB 4.17Å; I344-A354 HydrophobicContact CG1-CB 4.12Å; D345-A354 CarbonylContact O-C 3.59Å; D345-A354 WeakPolarHBondContact O-CA 3.34Å; D345-A354 WeakPolarHBondContact O-CB 3.14Å; W346-A354 HydrophobicContact CD2-CB 4.11Å; W346-A354 HydrophobicContact CE3-CB 3.58Å; W346-A354 HydrophobicContact CZ3-CB 3.94Å; A354-L366 HydrophobicContact CB-CB 4.22Å; A354-L366 HydrophobicContact CB-CD2 4.38Å; A354-L366 PolarHBondContact N-O 3.06Å; A354-L366 PolarHBondContact O-N 2.65Å |
| 355 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.3 | 164.6 | 59.9 | 0 | 0 | 0 | 0 | 108.1 | C21 W23 F30 I344 D345 I363 R364 I365 | C21-V355 HydrophobicContact CB-CG1 4.13Å; C21-V355 HydrophobicContact CB-CG2 4.32Å; W23-V355 HydrophobicContact CZ2-CB 4.23Å; W23-V355 HydrophobicContact CZ2-CG1 4.5Å; F30-V355 HydrophobicContact CB-CG1 4.45Å; F30-V355 HydrophobicContact CD2-CB 4.49Å; F30-V355 HydrophobicContact CD2-CG1 4.45Å; F30-V355 HydrophobicContact CD2-CG2 3.83Å; F30-V355 HydrophobicContact CE2-CG2 3.73Å; F30-V355 HydrophobicContact CG-CG1 4.45Å; F30-V355 HydrophobicContact CG-CG2 4.31Å; F30-V355 HydrophobicContact CZ-CG2 4.13Å; I344-V355 CarbonylContact C-O 3.57Å; I344-V355 VanDerWaalsContact CA-O 3.27Å; I344-V355 WeakPolarHBondContact CA-O 3.32Å; I344-V355 WeakPolarHBondContact CG1-O 3.2Å; D345-V355 HydrophobicContact CB-CG1 4.13Å; D345-V355 PolarHBondContact N-O 2.89Å; D345-V355 PolarHBondContact O-N 3.46Å; V355-I363 HydrophobicContact CG2-CG2 3.93Å; V355-R364 CarbonylContact C-O 3.58Å; V355-R364 WeakPolarHBondContact CA-O 3.29Å; V355-I365 HydrophobicContact CB-CD1 4.1Å; V355-I365 HydrophobicContact CG2-CD1 4.1Å |
| 356 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.1 | 168 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | I341 S343 I344 R364 | I341-C356 HydrophobicContact CG2-CB 4.04Å; S343-C356 CarbonylContact O-C 3.57Å; S343-C356 WeakPolarHBondContact O-CA 3.43Å; S343-C356 VanDerWaalsContact O-CB 3.24Å; S343-C356 WeakPolarHBondContact O-CB 3.46Å; I344-C356 HydrophobicContact CB-CB 3.89Å; I344-C356 HydrophobicContact CG1-CB 4.02Å; C356-R364 PolarHBondContact N-O 2.81Å; C356-R364 PolarHBondContact O-N 2.92Å |
| 357 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.3 | 179.8 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | L18 C21 V32 I341 C342 S343 I363 | L18-V357 HydrophobicContact CB-CB 3.75Å; L18-V357 HydrophobicContact CB-CG1 4.22Å; L18-V357 HydrophobicContact CB-CG2 4.1Å; L18-V357 HydrophobicContact CD1-CB 3.91Å; L18-V357 HydrophobicContact CD1-CG1 3.91Å; L18-V357 HydrophobicContact CD2-CG1 4.22Å; L18-V357 HydrophobicContact CG-CB 4.32Å; L18-V357 HydrophobicContact CG-CG1 4.35Å; C21-V357 HydrophobicContact CB-CG1 3.83Å; C21-V357 HydrophobicContact CB-CG2 4.25Å; V32-V357 HydrophobicContact CG1-CG1 4.06Å; I341-V357 WeakPolarHBondContact CG2-O 3.46Å; C342-V357 PolarHBondContact N-O 2.88Å; C342-V357 PolarHBondContact SG-O 3.3Å; S343-V357 PolarHBondContact N-O 3.1Å; S343-V357 PolarHBondContact O-N 3.28Å; V357-I363 HydrophobicContact CG1-CB 4.5Å; V357-I363 HydrophobicContact CG1-CG1 4.2Å; V357-I363 HydrophobicContact CG1-CG2 4.4Å |
| 358 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P340 I341 D360 Q361 A362 | P340-A358 CarbonylContact O-C 3.54Å; P340-A358 WeakPolarHBondContact O-CA 3.34Å; P340-A358 VanDerWaalsContact O-CB 3.23Å; P340-A358 WeakPolarHBondContact O-CB 3.48Å; I341-A358 HydrophobicContact CB-CB 4.47Å; I341-A358 HydrophobicContact CG1-CB 4.01Å; A358-D360 VanDerWaalsContact CB-OD1 3.27Å; A358-D360 WeakPolarHBondContact CB-OD1 3.37Å; A358-D360 PolarHBondContact O-N 2.74Å; A358-Q361 PolarHBondContact O-N 2.8Å; A358-Q361 VanDerWaalsContact O-N 3.14Å; A358-A362 PolarHBondContact N-O 2.76Å |
| 359 | F | 98.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 31.2 Ų | 31.2 | 28% | 0.281 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 3.5 | 179.7 | -64.5 | -39.5 | 0 | 0 | 0 | 114.5 | T17 L18 F19 Q339 P340 C342 Q361 | T17-F359 HydrophobicContact CG2-CD1 3.79Å; T17-F359 HydrophobicContact CG2-CE1 4.07Å; L18-F359 VanDerWaalsContact O-CE1 3.31Å; L18-F359 WeakPolarHBondContact O-CE1 3.31Å; F19-F359 AromaticContact CD1-CE1 3.74Å; F19-F359 HydrophobicContact CD1-CE1 3.74Å; F19-F359 HydrophobicContact CD1-CZ 4.1Å; F19-F359 AromaticContact CE1-CE1 3.67Å; F19-F359 HydrophobicContact CE1-CE1 3.67Å; F19-F359 AromaticContact CE1-CZ 3.95Å; F19-F359 HydrophobicContact CE1-CZ 3.95Å; Q339-F359 HydrophobicContact CB-CB 4.27Å; P340-F359 HydrophobicContact CB-CD2 3.72Å; P340-F359 HydrophobicContact CB-CE2 4.19Å; P340-F359 HydrophobicContact CG-CD2 3.96Å; P340-F359 PolarHBondContact O-N 3.14Å; C342-F359 HydrophobicContact CB-CD1 4.44Å; C342-F359 HydrophobicContact CB-CE1 3.86Å; C342-F359 HydrophobicContact CB-CE2 3.92Å; C342-F359 HydrophobicContact CB-CZ 3.55Å; F359-Q361 PolarHBondContact O-N 2.87Å |
| 360 | D | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 11 | 162.1 | 62.9 | 2.7 | 0 | 0 | 0 | 112.9 | S337 Q339 A358 A362 R364 | S337-D360 WeakPolarHBondContact CB-OD2 3.42Å; S337-D360 PolarHBondContact OG-OD2 3.34Å; Q339-D360 HydrophobicContact CB-CB 3.9Å; Q339-D360 HydrophobicContact CG-CB 3.82Å; A358-D360 VanDerWaalsContact CB-OD1 3.27Å; A358-D360 WeakPolarHBondContact CB-OD1 3.37Å; A358-D360 PolarHBondContact O-N 2.74Å; D360-A362 PolarHBondContact O-N 3.12Å; D360-A362 WeakPolarHBondContact OD1-CB 3.08Å; D360-A362 PolarHBondContact OD1-N 2.84Å; D360-A362 VanDerWaalsContact OD1-N 3.11Å; D360-R364 IonicContact OD1-CZ 3.95Å; D360-R364 IonicContact OD1-NH1 3.09Å; D360-R364 PolarHBondContact OD1-NH1 3.12Å; D360-R364 IonicContact OD1-NH2 3.86Å; D360-R364 IonicContact OD2-CZ 2.7Å; D360-R364 VanDerWaalsContact OD2-CZ 3.29Å; D360-R364 IonicContact OD2-NH1 3.29Å; D360-R364 PolarHBondContact OD2-NH1 3.49Å; D360-R364 VanDerWaalsContact OD2-NH1 3.09Å; D360-R364 IonicContact OD2-NH2 3.97Å; D360-R364 PolarHBondContact OD2-NH2 3.42Å |
| 361 | Q | 98.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 33% | 0.332 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 34.8 | -179.4 | -51.4 | 178.6 | -55.4 | 0 | 0 | 112.4 | S13 V14 F16 A358 F359 | S13-Q361 CarbonylContact C-O 3.47Å; S13-Q361 WeakPolarHBondContact CA-O 3.36Å; V14-Q361 HydrophobicContact CG2-CB 4.27Å; V14-Q361 WeakPolarHBondContact CG2-O 3.47Å; V14-Q361 PolarHBondContact N-O 2.9Å; V14-Q361 WeakPolarHBondContact O-CB 3.11Å; F16-Q361 WeakPolarHBondContact O-CG 3.47Å; A358-Q361 PolarHBondContact O-N 2.8Å; A358-Q361 VanDerWaalsContact O-N 3.14Å; F359-Q361 PolarHBondContact O-N 2.87Å |
| 362 | A | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T11 K12 A358 D360 R364 | T11-A362 HydrophobicContact CG2-CB 4Å; K12-A362 CarbonylContact O-C 3.56Å; K12-A362 VanDerWaalsContact O-CA 3.31Å; K12-A362 WeakPolarHBondContact O-CA 3.17Å; A358-A362 PolarHBondContact N-O 2.76Å; D360-A362 PolarHBondContact O-N 3.12Å; D360-A362 WeakPolarHBondContact OD1-CB 3.08Å; D360-A362 PolarHBondContact OD1-N 2.84Å; D360-A362 VanDerWaalsContact OD1-N 3.11Å; A362-R364 PolarHBondContact O-NH1 3.2Å |
| 363 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.9 | 169 | -53.1 | 171.4 | 0 | 0 | 0 | 107.8 | T11 K12 V14 L18 F30 V32 Y46 I53 V355 V357 | T11-I363 CarbonylContact C-O 3.51Å; T11-I363 WeakPolarHBondContact CA-O 3.32Å; K12-I363 PolarHBondContact N-O 3.35Å; K12-I363 PolarHBondContact O-N 2.66Å; V14-I363 HydrophobicContact CG1-CD1 3.76Å; V14-I363 HydrophobicContact CG1-CG1 4.22Å; L18-I363 HydrophobicContact CD1-CG1 3.68Å; L18-I363 HydrophobicContact CD2-CD1 4.46Å; L18-I363 HydrophobicContact CD2-CG1 4.13Å; F30-I363 HydrophobicContact CE2-CG2 3.63Å; F30-I363 HydrophobicContact CZ-CG2 3.74Å; V32-I363 HydrophobicContact CG1-CD1 3.96Å; V32-I363 HydrophobicContact CG1-CG1 4.24Å; V32-I363 HydrophobicContact CG1-CG2 4.49Å; V32-I363 HydrophobicContact CG2-CD1 3.97Å; Y46-I363 HydrophobicContact CD2-CD1 3.98Å; Y46-I363 HydrophobicContact CE2-CD1 3.42Å; Y46-I363 VanDerWaalsContact CE2-CD1 3.42Å; I53-I363 HydrophobicContact CD1-CB 4.16Å; I53-I363 HydrophobicContact CD1-CG2 3.83Å; V355-I363 HydrophobicContact CG2-CG2 3.93Å; V357-I363 HydrophobicContact CG1-CB 4.5Å; V357-I363 HydrophobicContact CG1-CG1 4.2Å; V357-I363 HydrophobicContact CG1-CG2 4.4Å |
| 364 | R | 98.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.4 | -179.9 | -66.9 | 173.5 | 174.9 | 79.6 | -1.8 | 111.6 | I10 T11 L336 V355 C356 D360 A362 | I10-R364 CarbonylContact O-C 3.57Å; I10-R364 VanDerWaalsContact O-CA 3.25Å; I10-R364 WeakPolarHBondContact O-CA 3.41Å; T11-R364 HydrophobicContact CG2-CG 4.09Å; L336-R364 PolarHBondContact O-NE 2.91Å; L336-R364 VanDerWaalsContact O-NE 3.14Å; L336-R364 PolarHBondContact O-NH2 2.99Å; V355-R364 CarbonylContact C-O 3.58Å; V355-R364 WeakPolarHBondContact CA-O 3.29Å; C356-R364 PolarHBondContact N-O 2.81Å; C356-R364 PolarHBondContact O-N 2.92Å; D360-R364 IonicContact OD1-CZ 3.95Å; D360-R364 IonicContact OD1-NH1 3.09Å; D360-R364 PolarHBondContact OD1-NH1 3.12Å; D360-R364 IonicContact OD1-NH2 3.86Å; D360-R364 IonicContact OD2-CZ 2.7Å; D360-R364 VanDerWaalsContact OD2-CZ 3.29Å; D360-R364 IonicContact OD2-NH1 3.29Å; D360-R364 PolarHBondContact OD2-NH1 3.49Å; D360-R364 VanDerWaalsContact OD2-NH1 3.09Å; D360-R364 IonicContact OD2-NH2 3.97Å; D360-R364 PolarHBondContact OD2-NH2 3.42Å; A362-R364 PolarHBondContact O-NH1 3.2Å |
| 365 | I | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.6 | 166.6 | -56.8 | -57.6 | 0 | 0 | 0 | 108.2 | H9 I10 W23 F30 V48 I53 L353 V355 | H9-I365 PolarHBondContact N-O 2.91Å; I10-I365 HydrophobicContact CB-CB 4.1Å; I10-I365 HydrophobicContact CB-CG1 4.15Å; I10-I365 HydrophobicContact CD1-CB 4.49Å; I10-I365 HydrophobicContact CD1-CG1 4.34Å; I10-I365 PolarHBondContact N-O 2.73Å; I10-I365 PolarHBondContact O-N 3.12Å; W23-I365 HydrophobicContact CH2-CD1 4.46Å; F30-I365 HydrophobicContact CD1-CD1 4.43Å; F30-I365 HydrophobicContact CE1-CD1 3.81Å; F30-I365 HydrophobicContact CZ-CD1 4.14Å; V48-I365 HydrophobicContact CG1-CG1 4.47Å; V48-I365 HydrophobicContact CG2-CD1 3.88Å; V48-I365 HydrophobicContact CG2-CG1 4.37Å; I53-I365 HydrophobicContact CG2-CD1 4.11Å; I53-I365 HydrophobicContact CG2-CG1 3.64Å; L353-I365 HydrophobicContact CD1-CG2 3.6Å; V355-I365 HydrophobicContact CB-CD1 4.1Å; V355-I365 HydrophobicContact CG2-CD1 4.1Å |
| 366 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.8 | -179.6 | -179.7 | 73 | 0 | 0 | 0 | 109.8 | M6 I7 M284 L292 L336 I344 A354 V368 | M6-L366 HydrophobicContact CB-CD1 4.29Å; M6-L366 HydrophobicContact CE-CD2 4.25Å; I7-L366 WeakPolarHBondContact O-CA 3.48Å; I7-L366 WeakPolarHBondContact O-CD1 3.45Å; M284-L366 HydrophobicContact CE-CD2 4Å; L292-L366 HydrophobicContact CD1-CD2 3.69Å; L336-L366 HydrophobicContact CD1-CD1 4.09Å; I344-L366 HydrophobicContact CD1-CD2 4.26Å; A354-L366 HydrophobicContact CB-CB 4.22Å; A354-L366 HydrophobicContact CB-CD2 4.38Å; A354-L366 PolarHBondContact N-O 3.06Å; A354-L366 PolarHBondContact O-N 2.65Å; L366-V368 HydrophobicContact CD1-CG2 4.44Å; L366-V368 HydrophobicContact CD2-CG2 3.66Å; L366-V368 HydrophobicContact CG-CG2 3.8Å |
| 367 | I | 97.5 | Very high | 95 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 30% | 0.297 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.9 | 168.1 | -60.5 | 175.5 | 0 | 0 | 0 | 108.5 | I7 H9 G352 L353 T369 | I7-I367 PolarHBondContact N-O 3.48Å; I7-I367 PolarHBondContact O-N 2.57Å; H9-I367 HydrophobicContact CB-CD1 3.85Å; H9-I367 HydrophobicContact CB-CG1 4.04Å; G352-I367 CarbonylContact O-C 3.57Å; G352-I367 WeakPolarHBondContact O-CA 3.25Å; L353-I367 HydrophobicContact CD1-CG1 4.34Å; I367-T369 HydrophobicContact CG2-CG2 4.08Å |
| 368 | V | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.8 | 176 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | P4 Q5 M6 M284 L294 W346 G352 L366 L371 | P4-V368 HydrophobicContact CB-CG1 4.19Å; Q5-V368 VanDerWaalsContact O-CA 3.3Å; Q5-V368 WeakPolarHBondContact O-CA 3.36Å; M6-V368 HydrophobicContact CG-CG1 4.06Å; M6-V368 HydrophobicContact CG-CG2 4Å; M284-V368 HydrophobicContact CE-CG2 4.08Å; L294-V368 HydrophobicContact CD2-CG1 4.04Å; W346-V368 HydrophobicContact CH2-CB 4.19Å; W346-V368 HydrophobicContact CH2-CG2 3.73Å; W346-V368 HydrophobicContact CZ3-CB 4.29Å; W346-V368 HydrophobicContact CZ3-CG2 3.93Å; G352-V368 WeakPolarHBondContact CA-O 3.28Å; G352-V368 PolarHBondContact O-N 3.36Å; L366-V368 HydrophobicContact CD1-CG2 4.44Å; L366-V368 HydrophobicContact CD2-CG2 3.66Å; L366-V368 HydrophobicContact CG-CG2 3.8Å; V368-L371 HydrophobicContact CB-CD1 4.01Å; V368-L371 HydrophobicContact CB-CG 4.46Å; V368-L371 HydrophobicContact CG1-CD1 3.98Å; V368-L371 HydrophobicContact CG1-CD2 3.93Å; V368-L371 HydrophobicContact CG1-CG 3.92Å |
| 369 | T | 95.9 | Very high | 94.5 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 166.9 | -175.2 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | P4 Q5 I367 L371 | P4-T369 VanDerWaalsContact CA-O 3.3Å; P4-T369 WeakPolarHBondContact CA-O 3.33Å; P4-T369 WeakPolarHBondContact CB-O 3.34Å; Q5-T369 WeakPolarHBondContact CB-OG1 3.22Å; Q5-T369 PolarHBondContact O-N 2.92Å; I367-T369 HydrophobicContact CG2-CG2 4.08Å; T369-L371 PolarHBondContact O-N 2.92Å |
| 370 | K | 93.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 29% | 0.291 | 21% | 0.209 | S | C | . | . | trans | 62.4 | 17.1 | 176.9 | -53 | 176.5 | 179.5 | 174.8 | 0 | 115.1 | M1 N372 K373 F374 | M1-K370 PolarHBondContact O-NZ 2.86Å; K370-N372 PolarHBondContact O-N 3.17Å; K370-K373 HydrophobicContact CB-CD 4.39Å; K370-K373 HydrophobicContact CB-CG 4.45Å; K370-K373 WeakPolarHBondContact O-CB 3.38Å; K370-K373 PolarHBondContact O-N 2.79Å; K370-F374 WeakPolarHBondContact O-CD2 3.46Å | ||
| 371 | L | 93.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.9 | 175.9 | -70.9 | 170.1 | 0 | 0 | 0 | 113.1 | L276 I282 L294 L351 G352 V368 T369 K373 F374 | L276-L371 HydrophobicContact CD1-CD1 4.31Å; L276-L371 HydrophobicContact CD2-CD1 3.84Å; L276-L371 HydrophobicContact CD2-CD2 4.23Å; L276-L371 HydrophobicContact CD2-CG 4.43Å; I282-L371 HydrophobicContact CD1-CD2 4.25Å; I282-L371 HydrophobicContact CG2-CD2 4.34Å; L294-L371 HydrophobicContact CD2-CD2 3.88Å; L351-L371 HydrophobicContact CD1-CB 4.04Å; L351-L371 HydrophobicContact CD1-CD1 3.96Å; L351-L371 HydrophobicContact CD2-CB 4.29Å; L351-L371 HydrophobicContact CG-CB 4.24Å; L351-L371 HydrophobicContact CG-CD1 4.29Å; G352-L371 VanDerWaalsContact CA-CD1 3.49Å; V368-L371 HydrophobicContact CB-CD1 4.01Å; V368-L371 HydrophobicContact CB-CG 4.46Å; V368-L371 HydrophobicContact CG1-CD1 3.98Å; V368-L371 HydrophobicContact CG1-CD2 3.93Å; V368-L371 HydrophobicContact CG1-CG 3.92Å; T369-L371 PolarHBondContact O-N 2.92Å; L371-K373 PolarHBondContact O-N 3.42Å; L371-F374 PolarHBondContact O-N 2.81Å |
| 372 | N | 84.6 | Confident | 93.6 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 70% | 0.695 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -70.9 | -5.9 | 176.7 | 66.6 | -53.6 | 0 | 0 | 0 | 114.3 | L351 K370 F374 | L351-N372 HydrophobicContact CD2-CB 4.49Å; K370-N372 PolarHBondContact O-N 3.17Å; N372-F374 VanDerWaalsContact C-N 3.33Å |
| 373 | K | 83.9 | Confident | 93.1 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -87.5 | 0.2 | 176.7 | -61.1 | -164.8 | 179.1 | -157.6 | 0 | 113.3 | D2 K370 L371 | D2-K373 IonicContact OD1-NZ 3.07Å; D2-K373 PolarHBondContact OD1-NZ 3.02Å; K370-K373 HydrophobicContact CB-CD 4.39Å; K370-K373 HydrophobicContact CB-CG 4.45Å; K370-K373 WeakPolarHBondContact O-CB 3.38Å; K370-K373 PolarHBondContact O-N 2.79Å; L371-K373 PolarHBondContact O-N 3.42Å |
| 374 | F | 76.9 | Confident | 92.6 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | trans | -127.9 | 0 | -166.9 | -65.4 | -82.9 | 0 | 0 | 0 | 114.7 | P4 Q279 I282 Q296 L331 K370 L371 N372 | P4-F374 HydrophobicContact CG-CD2 4.22Å; P4-F374 HydrophobicContact CG-CE2 3.57Å; P4-F374 HydrophobicContact CG-CZ 4.13Å; Q279-F374 PolarHBondContact NE2-O 3.08Å; Q279-F374 VanDerWaalsContact NE2-O 3.14Å; I282-F374 HydrophobicContact CD1-CB 3.87Å; Q296-F374 PolarHBondContact NE2-OXT 2.93Å; L331-F374 HydrophobicContact CD1-CD1 4.1Å; L331-F374 HydrophobicContact CD1-CD2 4.41Å; L331-F374 HydrophobicContact CD1-CE1 4.33Å; L331-F374 HydrophobicContact CD1-CG 4.14Å; L331-F374 HydrophobicContact CD2-CD1 4Å; L331-F374 HydrophobicContact CD2-CE1 3.74Å; L331-F374 HydrophobicContact CD2-CZ 4.38Å; K370-F374 WeakPolarHBondContact O-CD2 3.46Å; L371-F374 PolarHBondContact O-N 2.81Å; N372-F374 VanDerWaalsContact C-N 3.33Å |
Retrieved 374 of 374 residues in 1730.9 ms
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